----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:57:19]------------------------- Compiled with OpenMP support (max 48 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 2.242288359999999 -5.769412660000000 0.000000000000000 b 2.242288359999999 5.769412660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.411667270000000 Atomic positions (fractional): *1 O 0.10567040054021 0.89432959945979 0.99519705198401 15.999 2 O 0.89432959945979 0.10567040054020 0.00480294801599 15.999 3 O 0.10567040054021 0.89432959945979 0.50480294801599 15.999 4 O 0.89432959945979 0.10567040054020 0.49519705198401 15.999 *5 K 0.69559528218289 0.30440471781711 0.75000000000000 39.098 6 K 0.30440471781711 0.69559528218289 0.25000000000000 39.098 *7 Cu 0.00255145532440 0.99744854467560 0.25000000000000 63.546 8 Cu 0.99744854467560 0.00255145532440 0.75000000000000 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.484576719999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.538825319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.411667270000000 Atomic positions (fractional): *1 O 0.00000000000000 0.89432959945979 0.99519705198401 15.999 > 1 2 O 0.50000000000000 0.60567040054021 0.00480294801599 15.999 > 2 3 O 0.00000000000000 0.89432959945979 0.50480294801599 15.999 > 3 4 O 0.50000000000000 0.60567040054021 0.49519705198401 15.999 > 4 5 O 0.50000000000000 0.39432959945980 0.99519705198401 15.999 > 1 6 O 0.00000000000000 0.10567040054021 0.00480294801599 15.999 > 2 7 O 0.50000000000000 0.39432959945980 0.50480294801599 15.999 > 3 8 O 0.00000000000000 0.10567040054021 0.49519705198401 15.999 > 4 *9 K 0.50000000000000 0.80440471781711 0.75000000000000 39.098 > 5 10 K 0.00000000000000 0.69559528218289 0.25000000000000 39.098 > 6 11 K 0.00000000000000 0.30440471781711 0.75000000000000 39.098 > 5 12 K 0.50000000000000 0.19559528218289 0.25000000000000 39.098 > 6 *13 Cu 0.00000000000000 0.99744854467560 0.25000000000000 63.546 > 7 14 Cu 0.50000000000000 0.50255145532440 0.75000000000000 63.546 > 8 15 Cu 0.50000000000000 0.49744854467560 0.25000000000000 63.546 > 7 16 Cu 0.00000000000000 0.00255145532440 0.75000000000000 63.546 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.453730159999994 0.000000000000000 0.000000000000000 b 0.000000000000000 11.538825319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.235001810000000 Atomic positions (fractional): *1 O 0.00000000000000 0.89432959945979 0.33173235066134 15.999 > 1 2 O 0.33333333333333 0.89432959945979 0.33173235066134 15.999 > 1 3 O 0.66666666666667 0.89432959945979 0.33173235066134 15.999 > 1 4 O 0.00000000000000 0.89432959945979 0.66506568399467 15.999 > 1 5 O 0.33333333333333 0.89432959945979 0.66506568399467 15.999 > 1 6 O 0.66666666666667 0.89432959945979 0.66506568399467 15.999 > 1 7 O 0.00000000000000 0.89432959945979 0.99839901732800 15.999 > 1 8 O 0.33333333333333 0.89432959945979 0.99839901732800 15.999 > 1 9 O 0.66666666666667 0.89432959945979 0.99839901732800 15.999 > 1 10 O 0.16666666666667 0.60567040054021 0.00160098267200 15.999 > 2 11 O 0.50000000000000 0.60567040054021 0.00160098267200 15.999 > 2 12 O 0.83333333333333 0.60567040054021 0.00160098267200 15.999 > 2 13 O 0.16666666666667 0.60567040054021 0.33493431600533 15.999 > 2 14 O 0.50000000000000 0.60567040054021 0.33493431600533 15.999 > 2 15 O 0.83333333333333 0.60567040054021 0.33493431600533 15.999 > 2 16 O 0.16666666666667 0.60567040054021 0.66826764933866 15.999 > 2 17 O 0.50000000000000 0.60567040054021 0.66826764933866 15.999 > 2 18 O 0.83333333333333 0.60567040054021 0.66826764933866 15.999 > 2 19 O 0.00000000000000 0.89432959945979 0.16826764933866 15.999 > 3 20 O 0.33333333333333 0.89432959945979 0.16826764933866 15.999 > 3 21 O 0.66666666666667 0.89432959945979 0.16826764933866 15.999 > 3 22 O 0.00000000000000 0.89432959945979 0.50160098267200 15.999 > 3 23 O 0.33333333333333 0.89432959945979 0.50160098267200 15.999 > 3 24 O 0.66666666666667 0.89432959945979 0.50160098267200 15.999 > 3 25 O 0.00000000000000 0.89432959945979 0.83493431600533 15.999 > 3 26 O 0.33333333333333 0.89432959945979 0.83493431600533 15.999 > 3 27 O 0.66666666666667 0.89432959945979 0.83493431600533 15.999 > 3 28 O 0.16666666666667 0.60567040054021 0.16506568399467 15.999 > 4 29 O 0.50000000000000 0.60567040054021 0.16506568399467 15.999 > 4 30 O 0.83333333333333 0.60567040054021 0.16506568399467 15.999 > 4 31 O 0.16666666666667 0.60567040054021 0.49839901732800 15.999 > 4 32 O 0.50000000000000 0.60567040054021 0.49839901732800 15.999 > 4 33 O 0.83333333333333 0.60567040054021 0.49839901732800 15.999 > 4 34 O 0.16666666666667 0.60567040054021 0.83173235066134 15.999 > 4 35 O 0.50000000000000 0.60567040054021 0.83173235066134 15.999 > 4 36 O 0.83333333333333 0.60567040054021 0.83173235066134 15.999 > 4 37 O 0.16666666666667 0.39432959945980 0.33173235066134 15.999 > 1 38 O 0.50000000000000 0.39432959945980 0.33173235066134 15.999 > 1 39 O 0.83333333333333 0.39432959945980 0.33173235066134 15.999 > 1 40 O 0.16666666666667 0.39432959945980 0.66506568399467 15.999 > 1 41 O 0.50000000000000 0.39432959945980 0.66506568399467 15.999 > 1 42 O 0.83333333333333 0.39432959945980 0.66506568399467 15.999 > 1 43 O 0.16666666666667 0.39432959945980 0.99839901732800 15.999 > 1 44 O 0.50000000000000 0.39432959945980 0.99839901732800 15.999 > 1 45 O 0.83333333333333 0.39432959945980 0.99839901732800 15.999 > 1 46 O 0.00000000000000 0.10567040054021 0.00160098267200 15.999 > 2 47 O 0.33333333333333 0.10567040054021 0.00160098267200 15.999 > 2 48 O 0.66666666666667 0.10567040054021 0.00160098267200 15.999 > 2 49 O 0.00000000000000 0.10567040054021 0.33493431600533 15.999 > 2 50 O 0.33333333333333 0.10567040054021 0.33493431600533 15.999 > 2 51 O 0.66666666666667 0.10567040054021 0.33493431600533 15.999 > 2 52 O 0.00000000000000 0.10567040054021 0.66826764933866 15.999 > 2 53 O 0.33333333333333 0.10567040054021 0.66826764933866 15.999 > 2 54 O 0.66666666666667 0.10567040054021 0.66826764933866 15.999 > 2 55 O 0.16666666666667 0.39432959945980 0.16826764933866 15.999 > 3 56 O 0.50000000000000 0.39432959945980 0.16826764933866 15.999 > 3 57 O 0.83333333333333 0.39432959945980 0.16826764933866 15.999 > 3 58 O 0.16666666666667 0.39432959945980 0.50160098267200 15.999 > 3 59 O 0.50000000000000 0.39432959945980 0.50160098267200 15.999 > 3 60 O 0.83333333333333 0.39432959945980 0.50160098267200 15.999 > 3 61 O 0.16666666666667 0.39432959945980 0.83493431600533 15.999 > 3 62 O 0.50000000000000 0.39432959945980 0.83493431600533 15.999 > 3 63 O 0.83333333333333 0.39432959945980 0.83493431600533 15.999 > 3 64 O 0.00000000000000 0.10567040054021 0.16506568399467 15.999 > 4 65 O 0.33333333333333 0.10567040054021 0.16506568399467 15.999 > 4 66 O 0.66666666666667 0.10567040054021 0.16506568399467 15.999 > 4 67 O 0.00000000000000 0.10567040054021 0.49839901732800 15.999 > 4 68 O 0.33333333333333 0.10567040054021 0.49839901732800 15.999 > 4 69 O 0.66666666666667 0.10567040054021 0.49839901732800 15.999 > 4 70 O 0.00000000000000 0.10567040054021 0.83173235066134 15.999 > 4 71 O 0.33333333333333 0.10567040054021 0.83173235066134 15.999 > 4 72 O 0.66666666666667 0.10567040054021 0.83173235066134 15.999 > 4 *73 K 0.16666666666667 0.80440471781711 0.25000000000000 39.098 > 5 74 K 0.50000000000000 0.80440471781711 0.25000000000000 39.098 > 5 75 K 0.83333333333333 0.80440471781711 0.25000000000000 39.098 > 5 76 K 0.16666666666667 0.80440471781711 0.58333333333333 39.098 > 5 77 K 0.50000000000000 0.80440471781711 0.58333333333333 39.098 > 5 78 K 0.83333333333333 0.80440471781711 0.58333333333333 39.098 > 5 79 K 0.16666666666667 0.80440471781711 0.91666666666667 39.098 > 5 80 K 0.50000000000000 0.80440471781711 0.91666666666667 39.098 > 5 81 K 0.83333333333333 0.80440471781711 0.91666666666667 39.098 > 5 82 K 0.00000000000000 0.69559528218289 0.08333333333333 39.098 > 6 83 K 0.33333333333333 0.69559528218289 0.08333333333333 39.098 > 6 84 K 0.66666666666667 0.69559528218289 0.08333333333333 39.098 > 6 85 K 0.00000000000000 0.69559528218289 0.41666666666667 39.098 > 6 86 K 0.33333333333333 0.69559528218289 0.41666666666667 39.098 > 6 87 K 0.66666666666667 0.69559528218289 0.41666666666667 39.098 > 6 88 K 0.00000000000000 0.69559528218289 0.75000000000000 39.098 > 6 89 K 0.33333333333333 0.69559528218289 0.75000000000000 39.098 > 6 90 K 0.66666666666667 0.69559528218289 0.75000000000000 39.098 > 6 91 K 0.00000000000000 0.30440471781711 0.25000000000000 39.098 > 5 92 K 0.33333333333333 0.30440471781711 0.25000000000000 39.098 > 5 93 K 0.66666666666667 0.30440471781711 0.25000000000000 39.098 > 5 94 K 0.00000000000000 0.30440471781711 0.58333333333333 39.098 > 5 95 K 0.33333333333333 0.30440471781711 0.58333333333333 39.098 > 5 96 K 0.66666666666667 0.30440471781711 0.58333333333333 39.098 > 5 97 K 0.00000000000000 0.30440471781711 0.91666666666667 39.098 > 5 98 K 0.33333333333333 0.30440471781711 0.91666666666667 39.098 > 5 99 K 0.66666666666667 0.30440471781711 0.91666666666667 39.098 > 5 100 K 0.16666666666667 0.19559528218289 0.08333333333333 39.098 > 6 101 K 0.50000000000000 0.19559528218289 0.08333333333333 39.098 > 6 102 K 0.83333333333333 0.19559528218289 0.08333333333333 39.098 > 6 103 K 0.16666666666667 0.19559528218289 0.41666666666667 39.098 > 6 104 K 0.50000000000000 0.19559528218289 0.41666666666667 39.098 > 6 105 K 0.83333333333333 0.19559528218289 0.41666666666667 39.098 > 6 106 K 0.16666666666667 0.19559528218289 0.75000000000000 39.098 > 6 107 K 0.50000000000000 0.19559528218289 0.75000000000000 39.098 > 6 108 K 0.83333333333333 0.19559528218289 0.75000000000000 39.098 > 6 *109 Cu 0.00000000000000 0.99744854467560 0.08333333333333 63.546 > 7 110 Cu 0.33333333333333 0.99744854467560 0.08333333333333 63.546 > 7 111 Cu 0.66666666666667 0.99744854467560 0.08333333333333 63.546 > 7 112 Cu 0.00000000000000 0.99744854467560 0.41666666666667 63.546 > 7 113 Cu 0.33333333333333 0.99744854467560 0.41666666666667 63.546 > 7 114 Cu 0.66666666666667 0.99744854467560 0.41666666666667 63.546 > 7 115 Cu 0.00000000000000 0.99744854467560 0.75000000000000 63.546 > 7 116 Cu 0.33333333333333 0.99744854467560 0.75000000000000 63.546 > 7 117 Cu 0.66666666666667 0.99744854467560 0.75000000000000 63.546 > 7 118 Cu 0.16666666666667 0.50255145532440 0.25000000000000 63.546 > 8 119 Cu 0.50000000000000 0.50255145532440 0.25000000000000 63.546 > 8 120 Cu 0.83333333333333 0.50255145532440 0.25000000000000 63.546 > 8 121 Cu 0.16666666666667 0.50255145532440 0.58333333333333 63.546 > 8 122 Cu 0.50000000000000 0.50255145532440 0.58333333333333 63.546 > 8 123 Cu 0.83333333333333 0.50255145532440 0.58333333333333 63.546 > 8 124 Cu 0.16666666666667 0.50255145532440 0.91666666666667 63.546 > 8 125 Cu 0.50000000000000 0.50255145532440 0.91666666666667 63.546 > 8 126 Cu 0.83333333333333 0.50255145532440 0.91666666666667 63.546 > 8 127 Cu 0.16666666666667 0.49744854467560 0.08333333333333 63.546 > 7 128 Cu 0.50000000000000 0.49744854467560 0.08333333333333 63.546 > 7 129 Cu 0.83333333333333 0.49744854467560 0.08333333333333 63.546 > 7 130 Cu 0.16666666666667 0.49744854467560 0.41666666666667 63.546 > 7 131 Cu 0.50000000000000 0.49744854467560 0.41666666666667 63.546 > 7 132 Cu 0.83333333333333 0.49744854467560 0.41666666666667 63.546 > 7 133 Cu 0.16666666666667 0.49744854467560 0.75000000000000 63.546 > 7 134 Cu 0.50000000000000 0.49744854467560 0.75000000000000 63.546 > 7 135 Cu 0.83333333333333 0.49744854467560 0.75000000000000 63.546 > 7 136 Cu 0.00000000000000 0.00255145532440 0.25000000000000 63.546 > 8 137 Cu 0.33333333333333 0.00255145532440 0.25000000000000 63.546 > 8 138 Cu 0.66666666666667 0.00255145532440 0.25000000000000 63.546 > 8 139 Cu 0.00000000000000 0.00255145532440 0.58333333333333 63.546 > 8 140 Cu 0.33333333333333 0.00255145532440 0.58333333333333 63.546 > 8 141 Cu 0.66666666666667 0.00255145532440 0.58333333333333 63.546 > 8 142 Cu 0.00000000000000 0.00255145532440 0.91666666666667 63.546 > 8 143 Cu 0.33333333333333 0.00255145532440 0.91666666666667 63.546 > 8 144 Cu 0.66666666666667 0.00255145532440 0.91666666666667 63.546 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3392553 0.0000000 0.0000000 0.0000000 3.0646025 0.0000000 0.0000000 0.0000000 6.3141095 -------------------------- Born effective charges -------------------------- 1 O -0.6736130 0.0000000 0.0000000 0.0000000 -1.0874000 -0.0102815 0.0000000 0.0740216 -2.5517025 2 O -0.6736130 0.0000000 0.0000000 0.0000000 -1.0874000 -0.0102815 0.0000000 0.0740216 -2.5517025 3 O -0.6736130 0.0000000 0.0000000 0.0000000 -1.0874000 0.0102815 0.0000000 -0.0740216 -2.5517025 4 O -0.6736130 0.0000000 0.0000000 0.0000000 -1.0874000 0.0102815 0.0000000 -0.0740216 -2.5517025 5 K 1.1802595 0.0000000 0.0000000 0.0000000 1.4446393 0.0000000 0.0000000 0.0000000 1.0084749 6 K 1.1802595 0.0000000 0.0000000 0.0000000 1.4446393 0.0000000 0.0000000 0.0000000 1.0084749 7 Cu 0.1669664 0.0000000 0.0000000 0.0000000 0.7301607 0.0000000 0.0000000 0.0000000 4.0949300 8 Cu 0.1669664 0.0000000 0.0000000 0.0000000 0.7301607 0.0000000 0.0000000 0.0000000 4.0949300 ---------------------------------------------------------------------------- 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): 0.014 Solver_block: 100 / 160 - Time: 0.392 Solver_block: 160 / 160 - Time: 0.274 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.707 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:57:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:57:30]------------------------- Compiled with OpenMP support (max 48 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 2.242288359999999 -5.769412660000000 0.000000000000000 b 2.242288359999999 5.769412660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.411667270000000 Atomic positions (fractional): 1 O 0.10567040054021 0.89432959945979 0.99519705198401 15.999 2 O 0.89432959945979 0.10567040054020 0.00480294801599 15.999 3 O 0.10567040054021 0.89432959945979 0.50480294801599 15.999 4 O 0.89432959945979 0.10567040054020 0.49519705198401 15.999 5 K 0.69559528218289 0.30440471781711 0.75000000000000 39.098 6 K 0.30440471781711 0.69559528218289 0.25000000000000 39.098 7 Cu 0.00255145532440 0.99744854467560 0.25000000000000 63.546 8 Cu 0.99744854467560 0.00255145532440 0.75000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.453730159999994 0.000000000000000 0.000000000000000 b 0.000000000000000 11.538825319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.235001810000000 Atomic positions (fractional): 1 O 0.00000000000000 0.89432959945979 0.33173235066134 15.999 > 1 2 O 0.33333333333333 0.89432959945979 0.33173235066134 15.999 > 1 3 O 0.66666666666667 0.89432959945979 0.33173235066134 15.999 > 1 4 O 0.00000000000000 0.89432959945979 0.66506568399467 15.999 > 1 5 O 0.33333333333333 0.89432959945979 0.66506568399467 15.999 > 1 6 O 0.66666666666667 0.89432959945979 0.66506568399467 15.999 > 1 7 O 0.00000000000000 0.89432959945979 0.99839901732800 15.999 > 1 8 O 0.33333333333333 0.89432959945979 0.99839901732800 15.999 > 1 9 O 0.66666666666667 0.89432959945979 0.99839901732800 15.999 > 1 10 O 0.16666666666667 0.60567040054021 0.00160098267200 15.999 > 10 11 O 0.50000000000000 0.60567040054021 0.00160098267200 15.999 > 10 12 O 0.83333333333333 0.60567040054021 0.00160098267200 15.999 > 10 13 O 0.16666666666667 0.60567040054021 0.33493431600533 15.999 > 10 14 O 0.50000000000000 0.60567040054021 0.33493431600533 15.999 > 10 15 O 0.83333333333333 0.60567040054021 0.33493431600533 15.999 > 10 16 O 0.16666666666667 0.60567040054021 0.66826764933866 15.999 > 10 17 O 0.50000000000000 0.60567040054021 0.66826764933866 15.999 > 10 18 O 0.83333333333333 0.60567040054021 0.66826764933866 15.999 > 10 19 O 0.00000000000000 0.89432959945979 0.16826764933866 15.999 > 19 20 O 0.33333333333333 0.89432959945979 0.16826764933866 15.999 > 19 21 O 0.66666666666667 0.89432959945979 0.16826764933866 15.999 > 19 22 O 0.00000000000000 0.89432959945979 0.50160098267200 15.999 > 19 23 O 0.33333333333333 0.89432959945979 0.50160098267200 15.999 > 19 24 O 0.66666666666667 0.89432959945979 0.50160098267200 15.999 > 19 25 O 0.00000000000000 0.89432959945979 0.83493431600533 15.999 > 19 26 O 0.33333333333333 0.89432959945979 0.83493431600533 15.999 > 19 27 O 0.66666666666667 0.89432959945979 0.83493431600533 15.999 > 19 28 O 0.16666666666667 0.60567040054021 0.16506568399467 15.999 > 28 29 O 0.50000000000000 0.60567040054021 0.16506568399467 15.999 > 28 30 O 0.83333333333333 0.60567040054021 0.16506568399467 15.999 > 28 31 O 0.16666666666667 0.60567040054021 0.49839901732800 15.999 > 28 32 O 0.50000000000000 0.60567040054021 0.49839901732800 15.999 > 28 33 O 0.83333333333333 0.60567040054021 0.49839901732800 15.999 > 28 34 O 0.16666666666667 0.60567040054021 0.83173235066134 15.999 > 28 35 O 0.50000000000000 0.60567040054021 0.83173235066134 15.999 > 28 36 O 0.83333333333333 0.60567040054021 0.83173235066134 15.999 > 28 37 O 0.16666666666667 0.39432959945980 0.33173235066134 15.999 > 1 38 O 0.50000000000000 0.39432959945980 0.33173235066134 15.999 > 1 39 O 0.83333333333333 0.39432959945980 0.33173235066134 15.999 > 1 40 O 0.16666666666667 0.39432959945980 0.66506568399467 15.999 > 1 41 O 0.50000000000000 0.39432959945980 0.66506568399467 15.999 > 1 42 O 0.83333333333333 0.39432959945980 0.66506568399467 15.999 > 1 43 O 0.16666666666667 0.39432959945980 0.99839901732800 15.999 > 1 44 O 0.50000000000000 0.39432959945980 0.99839901732800 15.999 > 1 45 O 0.83333333333333 0.39432959945980 0.99839901732800 15.999 > 1 46 O 0.00000000000000 0.10567040054021 0.00160098267200 15.999 > 10 47 O 0.33333333333333 0.10567040054021 0.00160098267200 15.999 > 10 48 O 0.66666666666667 0.10567040054021 0.00160098267200 15.999 > 10 49 O 0.00000000000000 0.10567040054021 0.33493431600533 15.999 > 10 50 O 0.33333333333333 0.10567040054021 0.33493431600533 15.999 > 10 51 O 0.66666666666667 0.10567040054021 0.33493431600533 15.999 > 10 52 O 0.00000000000000 0.10567040054021 0.66826764933866 15.999 > 10 53 O 0.33333333333333 0.10567040054021 0.66826764933866 15.999 > 10 54 O 0.66666666666667 0.10567040054021 0.66826764933866 15.999 > 10 55 O 0.16666666666667 0.39432959945980 0.16826764933866 15.999 > 19 56 O 0.50000000000000 0.39432959945980 0.16826764933866 15.999 > 19 57 O 0.83333333333333 0.39432959945980 0.16826764933866 15.999 > 19 58 O 0.16666666666667 0.39432959945980 0.50160098267200 15.999 > 19 59 O 0.50000000000000 0.39432959945980 0.50160098267200 15.999 > 19 60 O 0.83333333333333 0.39432959945980 0.50160098267200 15.999 > 19 61 O 0.16666666666667 0.39432959945980 0.83493431600533 15.999 > 19 62 O 0.50000000000000 0.39432959945980 0.83493431600533 15.999 > 19 63 O 0.83333333333333 0.39432959945980 0.83493431600533 15.999 > 19 64 O 0.00000000000000 0.10567040054021 0.16506568399467 15.999 > 28 65 O 0.33333333333333 0.10567040054021 0.16506568399467 15.999 > 28 66 O 0.66666666666667 0.10567040054021 0.16506568399467 15.999 > 28 67 O 0.00000000000000 0.10567040054021 0.49839901732800 15.999 > 28 68 O 0.33333333333333 0.10567040054021 0.49839901732800 15.999 > 28 69 O 0.66666666666667 0.10567040054021 0.49839901732800 15.999 > 28 70 O 0.00000000000000 0.10567040054021 0.83173235066134 15.999 > 28 71 O 0.33333333333333 0.10567040054021 0.83173235066134 15.999 > 28 72 O 0.66666666666667 0.10567040054021 0.83173235066134 15.999 > 28 73 K 0.16666666666667 0.80440471781711 0.25000000000000 39.098 > 73 74 K 0.50000000000000 0.80440471781711 0.25000000000000 39.098 > 73 75 K 0.83333333333333 0.80440471781711 0.25000000000000 39.098 > 73 76 K 0.16666666666667 0.80440471781711 0.58333333333333 39.098 > 73 77 K 0.50000000000000 0.80440471781711 0.58333333333333 39.098 > 73 78 K 0.83333333333333 0.80440471781711 0.58333333333333 39.098 > 73 79 K 0.16666666666667 0.80440471781711 0.91666666666667 39.098 > 73 80 K 0.50000000000000 0.80440471781711 0.91666666666667 39.098 > 73 81 K 0.83333333333333 0.80440471781711 0.91666666666667 39.098 > 73 82 K 0.00000000000000 0.69559528218289 0.08333333333333 39.098 > 82 83 K 0.33333333333333 0.69559528218289 0.08333333333333 39.098 > 82 84 K 0.66666666666667 0.69559528218289 0.08333333333333 39.098 > 82 85 K 0.00000000000000 0.69559528218289 0.41666666666667 39.098 > 82 86 K 0.33333333333333 0.69559528218289 0.41666666666667 39.098 > 82 87 K 0.66666666666667 0.69559528218289 0.41666666666667 39.098 > 82 88 K 0.00000000000000 0.69559528218289 0.75000000000000 39.098 > 82 89 K 0.33333333333333 0.69559528218289 0.75000000000000 39.098 > 82 90 K 0.66666666666667 0.69559528218289 0.75000000000000 39.098 > 82 91 K 0.00000000000000 0.30440471781711 0.25000000000000 39.098 > 73 92 K 0.33333333333333 0.30440471781711 0.25000000000000 39.098 > 73 93 K 0.66666666666667 0.30440471781711 0.25000000000000 39.098 > 73 94 K 0.00000000000000 0.30440471781711 0.58333333333333 39.098 > 73 95 K 0.33333333333333 0.30440471781711 0.58333333333333 39.098 > 73 96 K 0.66666666666667 0.30440471781711 0.58333333333333 39.098 > 73 97 K 0.00000000000000 0.30440471781711 0.91666666666667 39.098 > 73 98 K 0.33333333333333 0.30440471781711 0.91666666666667 39.098 > 73 99 K 0.66666666666667 0.30440471781711 0.91666666666667 39.098 > 73 100 K 0.16666666666667 0.19559528218289 0.08333333333333 39.098 > 82 101 K 0.50000000000000 0.19559528218289 0.08333333333333 39.098 > 82 102 K 0.83333333333333 0.19559528218289 0.08333333333333 39.098 > 82 103 K 0.16666666666667 0.19559528218289 0.41666666666667 39.098 > 82 104 K 0.50000000000000 0.19559528218289 0.41666666666667 39.098 > 82 105 K 0.83333333333333 0.19559528218289 0.41666666666667 39.098 > 82 106 K 0.16666666666667 0.19559528218289 0.75000000000000 39.098 > 82 107 K 0.50000000000000 0.19559528218289 0.75000000000000 39.098 > 82 108 K 0.83333333333333 0.19559528218289 0.75000000000000 39.098 > 82 109 Cu 0.00000000000000 0.99744854467560 0.08333333333333 63.546 > 109 110 Cu 0.33333333333333 0.99744854467560 0.08333333333333 63.546 > 109 111 Cu 0.66666666666667 0.99744854467560 0.08333333333333 63.546 > 109 112 Cu 0.00000000000000 0.99744854467560 0.41666666666667 63.546 > 109 113 Cu 0.33333333333333 0.99744854467560 0.41666666666667 63.546 > 109 114 Cu 0.66666666666667 0.99744854467560 0.41666666666667 63.546 > 109 115 Cu 0.00000000000000 0.99744854467560 0.75000000000000 63.546 > 109 116 Cu 0.33333333333333 0.99744854467560 0.75000000000000 63.546 > 109 117 Cu 0.66666666666667 0.99744854467560 0.75000000000000 63.546 > 109 118 Cu 0.16666666666667 0.50255145532440 0.25000000000000 63.546 > 118 119 Cu 0.50000000000000 0.50255145532440 0.25000000000000 63.546 > 118 120 Cu 0.83333333333333 0.50255145532440 0.25000000000000 63.546 > 118 121 Cu 0.16666666666667 0.50255145532440 0.58333333333333 63.546 > 118 122 Cu 0.50000000000000 0.50255145532440 0.58333333333333 63.546 > 118 123 Cu 0.83333333333333 0.50255145532440 0.58333333333333 63.546 > 118 124 Cu 0.16666666666667 0.50255145532440 0.91666666666667 63.546 > 118 125 Cu 0.50000000000000 0.50255145532440 0.91666666666667 63.546 > 118 126 Cu 0.83333333333333 0.50255145532440 0.91666666666667 63.546 > 118 127 Cu 0.16666666666667 0.49744854467560 0.08333333333333 63.546 > 109 128 Cu 0.50000000000000 0.49744854467560 0.08333333333333 63.546 > 109 129 Cu 0.83333333333333 0.49744854467560 0.08333333333333 63.546 > 109 130 Cu 0.16666666666667 0.49744854467560 0.41666666666667 63.546 > 109 131 Cu 0.50000000000000 0.49744854467560 0.41666666666667 63.546 > 109 132 Cu 0.83333333333333 0.49744854467560 0.41666666666667 63.546 > 109 133 Cu 0.16666666666667 0.49744854467560 0.75000000000000 63.546 > 109 134 Cu 0.50000000000000 0.49744854467560 0.75000000000000 63.546 > 109 135 Cu 0.83333333333333 0.49744854467560 0.75000000000000 63.546 > 109 136 Cu 0.00000000000000 0.00255145532440 0.25000000000000 63.546 > 118 137 Cu 0.33333333333333 0.00255145532440 0.25000000000000 63.546 > 118 138 Cu 0.66666666666667 0.00255145532440 0.25000000000000 63.546 > 118 139 Cu 0.00000000000000 0.00255145532440 0.58333333333333 63.546 > 118 140 Cu 0.33333333333333 0.00255145532440 0.58333333333333 63.546 > 118 141 Cu 0.66666666666667 0.00255145532440 0.58333333333333 63.546 > 118 142 Cu 0.00000000000000 0.00255145532440 0.91666666666667 63.546 > 118 143 Cu 0.33333333333333 0.00255145532440 0.91666666666667 63.546 > 118 144 Cu 0.66666666666667 0.00255145532440 0.91666666666667 63.546 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3392553 0.0000000 0.0000000 0.0000000 3.0646025 0.0000000 0.0000000 0.0000000 6.3141095 -------------------------- Born effective charges -------------------------- 1 O -0.6736130 0.0000000 0.0000000 0.0000000 -1.0874000 -0.0102815 0.0000000 0.0740216 -2.5517025 2 O -0.6736130 0.0000000 0.0000000 0.0000000 -1.0874000 -0.0102815 0.0000000 0.0740216 -2.5517025 3 O -0.6736130 0.0000000 0.0000000 0.0000000 -1.0874000 0.0102815 0.0000000 -0.0740216 -2.5517025 4 O -0.6736130 0.0000000 0.0000000 0.0000000 -1.0874000 0.0102815 0.0000000 -0.0740216 -2.5517025 5 K 1.1802595 0.0000000 0.0000000 0.0000000 1.4446393 0.0000000 0.0000000 0.0000000 1.0084749 6 K 1.1802595 0.0000000 0.0000000 0.0000000 1.4446393 0.0000000 0.0000000 0.0000000 1.0084749 7 Cu 0.1669664 0.0000000 0.0000000 0.0000000 0.7301607 0.0000000 0.0000000 0.0000000 4.0949300 8 Cu 0.1669664 0.0000000 0.0000000 0.0000000 0.7301607 0.0000000 0.0000000 0.0000000 4.0949300 ---------------------------------------------------------------------------- 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[ 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] Computing fc3[ 109, 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 (yz) -0.00000000 (yz) 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 2026-01-07 19:57:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:57:44]------------------------- Compiled with OpenMP support (max 48 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 2.242288359999999 -5.769412660000000 0.000000000000000 b 2.242288359999999 5.769412660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.411667270000000 Atomic positions (fractional): 1 O 0.10567040054021 0.89432959945979 0.99519705198401 15.999 2 O 0.89432959945979 0.10567040054020 0.00480294801599 15.999 3 O 0.10567040054021 0.89432959945979 0.50480294801599 15.999 4 O 0.89432959945979 0.10567040054020 0.49519705198401 15.999 5 K 0.69559528218289 0.30440471781711 0.75000000000000 39.098 6 K 0.30440471781711 0.69559528218289 0.25000000000000 39.098 7 Cu 0.00255145532440 0.99744854467560 0.25000000000000 63.546 8 Cu 0.99744854467560 0.00255145532440 0.75000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.453730159999994 0.000000000000000 0.000000000000000 b 0.000000000000000 11.538825319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.235001810000000 Atomic positions (fractional): 1 O 0.00000000000000 0.89432959945979 0.33173235066134 15.999 > 1 2 O 0.33333333333333 0.89432959945979 0.33173235066134 15.999 > 1 3 O 0.66666666666667 0.89432959945979 0.33173235066134 15.999 > 1 4 O 0.00000000000000 0.89432959945979 0.66506568399467 15.999 > 1 5 O 0.33333333333333 0.89432959945979 0.66506568399467 15.999 > 1 6 O 0.66666666666667 0.89432959945979 0.66506568399467 15.999 > 1 7 O 0.00000000000000 0.89432959945979 0.99839901732800 15.999 > 1 8 O 0.33333333333333 0.89432959945979 0.99839901732800 15.999 > 1 9 O 0.66666666666667 0.89432959945979 0.99839901732800 15.999 > 1 10 O 0.16666666666667 0.60567040054021 0.00160098267200 15.999 > 10 11 O 0.50000000000000 0.60567040054021 0.00160098267200 15.999 > 10 12 O 0.83333333333333 0.60567040054021 0.00160098267200 15.999 > 10 13 O 0.16666666666667 0.60567040054021 0.33493431600533 15.999 > 10 14 O 0.50000000000000 0.60567040054021 0.33493431600533 15.999 > 10 15 O 0.83333333333333 0.60567040054021 0.33493431600533 15.999 > 10 16 O 0.16666666666667 0.60567040054021 0.66826764933866 15.999 > 10 17 O 0.50000000000000 0.60567040054021 0.66826764933866 15.999 > 10 18 O 0.83333333333333 0.60567040054021 0.66826764933866 15.999 > 10 19 O 0.00000000000000 0.89432959945979 0.16826764933866 15.999 > 19 20 O 0.33333333333333 0.89432959945979 0.16826764933866 15.999 > 19 21 O 0.66666666666667 0.89432959945979 0.16826764933866 15.999 > 19 22 O 0.00000000000000 0.89432959945979 0.50160098267200 15.999 > 19 23 O 0.33333333333333 0.89432959945979 0.50160098267200 15.999 > 19 24 O 0.66666666666667 0.89432959945979 0.50160098267200 15.999 > 19 25 O 0.00000000000000 0.89432959945979 0.83493431600533 15.999 > 19 26 O 0.33333333333333 0.89432959945979 0.83493431600533 15.999 > 19 27 O 0.66666666666667 0.89432959945979 0.83493431600533 15.999 > 19 28 O 0.16666666666667 0.60567040054021 0.16506568399467 15.999 > 28 29 O 0.50000000000000 0.60567040054021 0.16506568399467 15.999 > 28 30 O 0.83333333333333 0.60567040054021 0.16506568399467 15.999 > 28 31 O 0.16666666666667 0.60567040054021 0.49839901732800 15.999 > 28 32 O 0.50000000000000 0.60567040054021 0.49839901732800 15.999 > 28 33 O 0.83333333333333 0.60567040054021 0.49839901732800 15.999 > 28 34 O 0.16666666666667 0.60567040054021 0.83173235066134 15.999 > 28 35 O 0.50000000000000 0.60567040054021 0.83173235066134 15.999 > 28 36 O 0.83333333333333 0.60567040054021 0.83173235066134 15.999 > 28 37 O 0.16666666666667 0.39432959945980 0.33173235066134 15.999 > 1 38 O 0.50000000000000 0.39432959945980 0.33173235066134 15.999 > 1 39 O 0.83333333333333 0.39432959945980 0.33173235066134 15.999 > 1 40 O 0.16666666666667 0.39432959945980 0.66506568399467 15.999 > 1 41 O 0.50000000000000 0.39432959945980 0.66506568399467 15.999 > 1 42 O 0.83333333333333 0.39432959945980 0.66506568399467 15.999 > 1 43 O 0.16666666666667 0.39432959945980 0.99839901732800 15.999 > 1 44 O 0.50000000000000 0.39432959945980 0.99839901732800 15.999 > 1 45 O 0.83333333333333 0.39432959945980 0.99839901732800 15.999 > 1 46 O 0.00000000000000 0.10567040054021 0.00160098267200 15.999 > 10 47 O 0.33333333333333 0.10567040054021 0.00160098267200 15.999 > 10 48 O 0.66666666666667 0.10567040054021 0.00160098267200 15.999 > 10 49 O 0.00000000000000 0.10567040054021 0.33493431600533 15.999 > 10 50 O 0.33333333333333 0.10567040054021 0.33493431600533 15.999 > 10 51 O 0.66666666666667 0.10567040054021 0.33493431600533 15.999 > 10 52 O 0.00000000000000 0.10567040054021 0.66826764933866 15.999 > 10 53 O 0.33333333333333 0.10567040054021 0.66826764933866 15.999 > 10 54 O 0.66666666666667 0.10567040054021 0.66826764933866 15.999 > 10 55 O 0.16666666666667 0.39432959945980 0.16826764933866 15.999 > 19 56 O 0.50000000000000 0.39432959945980 0.16826764933866 15.999 > 19 57 O 0.83333333333333 0.39432959945980 0.16826764933866 15.999 > 19 58 O 0.16666666666667 0.39432959945980 0.50160098267200 15.999 > 19 59 O 0.50000000000000 0.39432959945980 0.50160098267200 15.999 > 19 60 O 0.83333333333333 0.39432959945980 0.50160098267200 15.999 > 19 61 O 0.16666666666667 0.39432959945980 0.83493431600533 15.999 > 19 62 O 0.50000000000000 0.39432959945980 0.83493431600533 15.999 > 19 63 O 0.83333333333333 0.39432959945980 0.83493431600533 15.999 > 19 64 O 0.00000000000000 0.10567040054021 0.16506568399467 15.999 > 28 65 O 0.33333333333333 0.10567040054021 0.16506568399467 15.999 > 28 66 O 0.66666666666667 0.10567040054021 0.16506568399467 15.999 > 28 67 O 0.00000000000000 0.10567040054021 0.49839901732800 15.999 > 28 68 O 0.33333333333333 0.10567040054021 0.49839901732800 15.999 > 28 69 O 0.66666666666667 0.10567040054021 0.49839901732800 15.999 > 28 70 O 0.00000000000000 0.10567040054021 0.83173235066134 15.999 > 28 71 O 0.33333333333333 0.10567040054021 0.83173235066134 15.999 > 28 72 O 0.66666666666667 0.10567040054021 0.83173235066134 15.999 > 28 73 K 0.16666666666667 0.80440471781711 0.25000000000000 39.098 > 73 74 K 0.50000000000000 0.80440471781711 0.25000000000000 39.098 > 73 75 K 0.83333333333333 0.80440471781711 0.25000000000000 39.098 > 73 76 K 0.16666666666667 0.80440471781711 0.58333333333333 39.098 > 73 77 K 0.50000000000000 0.80440471781711 0.58333333333333 39.098 > 73 78 K 0.83333333333333 0.80440471781711 0.58333333333333 39.098 > 73 79 K 0.16666666666667 0.80440471781711 0.91666666666667 39.098 > 73 80 K 0.50000000000000 0.80440471781711 0.91666666666667 39.098 > 73 81 K 0.83333333333333 0.80440471781711 0.91666666666667 39.098 > 73 82 K 0.00000000000000 0.69559528218289 0.08333333333333 39.098 > 82 83 K 0.33333333333333 0.69559528218289 0.08333333333333 39.098 > 82 84 K 0.66666666666667 0.69559528218289 0.08333333333333 39.098 > 82 85 K 0.00000000000000 0.69559528218289 0.41666666666667 39.098 > 82 86 K 0.33333333333333 0.69559528218289 0.41666666666667 39.098 > 82 87 K 0.66666666666667 0.69559528218289 0.41666666666667 39.098 > 82 88 K 0.00000000000000 0.69559528218289 0.75000000000000 39.098 > 82 89 K 0.33333333333333 0.69559528218289 0.75000000000000 39.098 > 82 90 K 0.66666666666667 0.69559528218289 0.75000000000000 39.098 > 82 91 K 0.00000000000000 0.30440471781711 0.25000000000000 39.098 > 73 92 K 0.33333333333333 0.30440471781711 0.25000000000000 39.098 > 73 93 K 0.66666666666667 0.30440471781711 0.25000000000000 39.098 > 73 94 K 0.00000000000000 0.30440471781711 0.58333333333333 39.098 > 73 95 K 0.33333333333333 0.30440471781711 0.58333333333333 39.098 > 73 96 K 0.66666666666667 0.30440471781711 0.58333333333333 39.098 > 73 97 K 0.00000000000000 0.30440471781711 0.91666666666667 39.098 > 73 98 K 0.33333333333333 0.30440471781711 0.91666666666667 39.098 > 73 99 K 0.66666666666667 0.30440471781711 0.91666666666667 39.098 > 73 100 K 0.16666666666667 0.19559528218289 0.08333333333333 39.098 > 82 101 K 0.50000000000000 0.19559528218289 0.08333333333333 39.098 > 82 102 K 0.83333333333333 0.19559528218289 0.08333333333333 39.098 > 82 103 K 0.16666666666667 0.19559528218289 0.41666666666667 39.098 > 82 104 K 0.50000000000000 0.19559528218289 0.41666666666667 39.098 > 82 105 K 0.83333333333333 0.19559528218289 0.41666666666667 39.098 > 82 106 K 0.16666666666667 0.19559528218289 0.75000000000000 39.098 > 82 107 K 0.50000000000000 0.19559528218289 0.75000000000000 39.098 > 82 108 K 0.83333333333333 0.19559528218289 0.75000000000000 39.098 > 82 109 Cu 0.00000000000000 0.99744854467560 0.08333333333333 63.546 > 109 110 Cu 0.33333333333333 0.99744854467560 0.08333333333333 63.546 > 109 111 Cu 0.66666666666667 0.99744854467560 0.08333333333333 63.546 > 109 112 Cu 0.00000000000000 0.99744854467560 0.41666666666667 63.546 > 109 113 Cu 0.33333333333333 0.99744854467560 0.41666666666667 63.546 > 109 114 Cu 0.66666666666667 0.99744854467560 0.41666666666667 63.546 > 109 115 Cu 0.00000000000000 0.99744854467560 0.75000000000000 63.546 > 109 116 Cu 0.33333333333333 0.99744854467560 0.75000000000000 63.546 > 109 117 Cu 0.66666666666667 0.99744854467560 0.75000000000000 63.546 > 109 118 Cu 0.16666666666667 0.50255145532440 0.25000000000000 63.546 > 118 119 Cu 0.50000000000000 0.50255145532440 0.25000000000000 63.546 > 118 120 Cu 0.83333333333333 0.50255145532440 0.25000000000000 63.546 > 118 121 Cu 0.16666666666667 0.50255145532440 0.58333333333333 63.546 > 118 122 Cu 0.50000000000000 0.50255145532440 0.58333333333333 63.546 > 118 123 Cu 0.83333333333333 0.50255145532440 0.58333333333333 63.546 > 118 124 Cu 0.16666666666667 0.50255145532440 0.91666666666667 63.546 > 118 125 Cu 0.50000000000000 0.50255145532440 0.91666666666667 63.546 > 118 126 Cu 0.83333333333333 0.50255145532440 0.91666666666667 63.546 > 118 127 Cu 0.16666666666667 0.49744854467560 0.08333333333333 63.546 > 109 128 Cu 0.50000000000000 0.49744854467560 0.08333333333333 63.546 > 109 129 Cu 0.83333333333333 0.49744854467560 0.08333333333333 63.546 > 109 130 Cu 0.16666666666667 0.49744854467560 0.41666666666667 63.546 > 109 131 Cu 0.50000000000000 0.49744854467560 0.41666666666667 63.546 > 109 132 Cu 0.83333333333333 0.49744854467560 0.41666666666667 63.546 > 109 133 Cu 0.16666666666667 0.49744854467560 0.75000000000000 63.546 > 109 134 Cu 0.50000000000000 0.49744854467560 0.75000000000000 63.546 > 109 135 Cu 0.83333333333333 0.49744854467560 0.75000000000000 63.546 > 109 136 Cu 0.00000000000000 0.00255145532440 0.25000000000000 63.546 > 118 137 Cu 0.33333333333333 0.00255145532440 0.25000000000000 63.546 > 118 138 Cu 0.66666666666667 0.00255145532440 0.25000000000000 63.546 > 118 139 Cu 0.00000000000000 0.00255145532440 0.58333333333333 63.546 > 118 140 Cu 0.33333333333333 0.00255145532440 0.58333333333333 63.546 > 118 141 Cu 0.66666666666667 0.00255145532440 0.58333333333333 63.546 > 118 142 Cu 0.00000000000000 0.00255145532440 0.91666666666667 63.546 > 118 143 Cu 0.33333333333333 0.00255145532440 0.91666666666667 63.546 > 118 144 Cu 0.66666666666667 0.00255145532440 0.91666666666667 63.546 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3392553 0.0000000 0.0000000 0.0000000 3.0646025 0.0000000 0.0000000 0.0000000 6.3141095 -------------------------- Born effective charges -------------------------- 1 O -0.6736130 0.0000000 0.0000000 0.0000000 -1.0874000 -0.0102815 0.0000000 0.0740216 -2.5517025 2 O -0.6736130 0.0000000 0.0000000 0.0000000 -1.0874000 -0.0102815 0.0000000 0.0740216 -2.5517025 3 O -0.6736130 0.0000000 0.0000000 0.0000000 -1.0874000 0.0102815 0.0000000 -0.0740216 -2.5517025 4 O -0.6736130 0.0000000 0.0000000 0.0000000 -1.0874000 0.0102815 0.0000000 -0.0740216 -2.5517025 5 K 1.1802595 0.0000000 0.0000000 0.0000000 1.4446393 0.0000000 0.0000000 0.0000000 1.0084749 6 K 1.1802595 0.0000000 0.0000000 0.0000000 1.4446393 0.0000000 0.0000000 0.0000000 1.0084749 7 Cu 0.1669664 0.0000000 0.0000000 0.0000000 0.7301607 0.0000000 0.0000000 0.0000000 4.0949300 8 Cu 0.1669664 0.0000000 0.0000000 0.0000000 0.7301607 0.0000000 0.0000000 0.0000000 4.0949300 ---------------------------------------------------------------------------- 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 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.80, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/215) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 215 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 2.625 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.626 ( 0.000 0.000 0.000) 0.000 6.913 ( 0.000 0.000 0.000) 0.000 7.675 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 14.186 ( 0.000 0.000 0.000) 0.000 15.236 ( 0.000 0.000 0.000) 0.000 18.092 ( 0.000 0.000 0.000) 0.000 18.353 ( 0.000 0.000 0.000) 0.000 18.805 ( 0.000 0.000 0.000) 0.000 18.901 ( 0.000 0.000 0.000) 0.000 19.117 ( 0.000 0.000 0.000) 0.000 20.068 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/215) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( 15.798 -2.921 0.000) 16.066 0.368 ( 14.271 -13.412 0.000) 19.584 0.680 ( 24.760 -29.691 0.000) 38.661 2.771 ( 15.832 2.267 0.000) 15.993 3.181 ( 0.132 1.560 0.000) 1.565 3.796 ( -2.656 -0.713 0.000) 2.750 4.081 ( 3.706 0.112 0.000) 3.707 4.391 ( -2.878 9.227 0.000) 9.666 4.931 ( 4.848 16.492 0.000) 17.190 5.091 ( 13.270 17.351 0.000) 21.844 5.597 ( -4.972 -4.671 0.000) 6.822 5.771 ( -17.054 -41.756 0.000) 45.104 6.924 ( 1.236 0.198 0.000) 1.251 7.676 ( -0.178 -0.900 0.000) 0.917 10.285 ( 9.891 29.070 0.000) 30.707 10.727 ( -0.176 0.239 0.000) 0.297 14.190 ( 0.253 -0.500 0.000) 0.561 15.237 ( 0.039 -0.042 0.000) 0.057 18.082 ( -0.787 0.679 0.000) 1.039 18.344 ( -0.847 0.210 0.000) 0.873 18.804 ( -0.001 0.028 0.000) 0.028 18.901 ( -0.148 -0.609 0.000) 0.627 19.111 ( -0.324 0.629 0.000) 0.708 20.191 ( -11.179 -28.532 0.000) 30.644 ======================= Grid point 2 (3/215) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 14.381 -1.546 0.000) 14.464 0.718 ( 13.321 -12.326 0.000) 18.148 1.343 ( 23.325 -29.619 0.000) 37.701 3.133 ( 24.417 5.052 0.000) 24.934 3.169 ( 0.483 3.162 0.000) 3.198 3.737 ( -4.585 -1.733 0.000) 4.901 4.171 ( 5.885 0.383 0.000) 5.897 4.259 ( -3.629 8.877 0.000) 9.590 4.886 ( -2.681 1.481 0.000) 3.063 5.225 ( 9.867 6.931 0.000) 12.058 5.509 ( -7.875 -4.524 0.000) 9.082 5.754 ( -5.205 -11.254 0.000) 12.400 6.954 ( 2.114 0.345 0.000) 2.141 7.681 ( -0.320 -1.529 0.000) 1.562 10.250 ( 3.386 14.487 0.000) 14.877 10.720 ( -0.302 0.410 0.000) 0.509 14.202 ( 0.441 -0.872 0.000) 0.978 15.238 ( 0.065 -0.072 0.000) 0.097 18.055 ( -1.307 1.150 0.000) 1.740 18.320 ( -1.455 0.375 0.000) 1.502 18.804 ( -0.000 0.047 0.000) 0.047 18.904 ( -0.265 -1.026 0.000) 1.059 19.097 ( -0.562 1.092 0.000) 1.228 20.189 ( -5.740 -14.503 0.000) 15.598 ======================= Grid point 3 (4/215) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 11.839 0.127 0.000) 11.840 1.034 ( 11.569 -10.519 0.000) 15.637 1.966 ( 20.626 -29.066 0.000) 35.640 3.158 ( 1.414 4.445 0.000) 4.664 3.550 ( 24.459 8.517 0.000) 25.899 3.651 ( -6.349 -2.510 0.000) 6.827 4.144 ( -2.642 6.116 0.000) 6.662 4.286 ( 6.551 0.444 0.000) 6.566 4.812 ( -4.482 0.587 0.000) 4.520 5.332 ( 1.998 -0.686 0.000) 2.113 5.390 ( -4.200 0.614 0.000) 4.245 5.742 ( -1.726 -3.305 0.000) 3.728 6.994 ( 2.398 0.404 0.000) 2.432 7.686 ( -0.387 -1.725 0.000) 1.768 10.206 ( 1.196 8.926 0.000) 9.006 10.711 ( -0.344 0.467 0.000) 0.580 14.218 ( 0.516 -1.017 0.000) 1.140 15.240 ( 0.072 -0.081 0.000) 0.108 18.020 ( -1.464 1.230 0.000) 1.913 18.288 ( -1.636 0.420 0.000) 1.689 18.804 ( 0.002 0.052 0.000) 0.052 18.906 ( -0.327 -1.134 0.000) 1.180 19.076 ( -0.648 1.266 0.000) 1.422 20.187 ( -3.701 -9.423 0.000) 10.124 ======================= Grid point 4 (5/215) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 8.233 1.275 0.000) 8.331 1.292 ( 8.770 -7.890 0.000) 11.797 2.515 ( 16.294 -26.789 0.000) 31.355 3.164 ( 3.107 5.000 0.000) 5.887 3.539 ( -7.687 -2.931 0.000) 8.227 3.878 ( 17.719 10.836 0.000) 20.770 4.074 ( -0.815 4.432 0.000) 4.507 4.398 ( 5.567 0.306 0.000) 5.575 4.708 ( -5.515 3.054 0.000) 6.304 5.263 ( -5.098 -4.419 0.000) 6.747 5.414 ( 2.658 2.628 0.000) 3.737 5.738 ( -0.550 -1.395 0.000) 1.499 7.034 ( 2.040 0.355 0.000) 2.071 7.691 ( -0.348 -1.463 0.000) 1.504 10.169 ( 0.390 5.320 0.000) 5.334 10.701 ( -0.294 0.398 0.000) 0.495 14.234 ( 0.452 -0.889 0.000) 0.997 15.242 ( 0.059 -0.068 0.000) 0.090 17.986 ( -1.241 0.992 0.000) 1.589 18.256 ( -1.361 0.331 0.000) 1.401 18.804 ( 0.004 0.043 0.000) 0.044 18.908 ( -0.306 -0.937 0.000) 0.985 19.056 ( -0.561 1.101 0.000) 1.235 20.187 ( -2.332 -6.081 0.000) 6.513 ======================= Grid point 5 (6/215) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 4.097 1.194 0.000) 4.267 1.464 ( 4.797 -4.312 0.000) 6.450 2.932 ( 9.728 -19.087 0.000) 21.423 3.206 ( 5.250 4.718 0.000) 7.059 3.413 ( -8.041 -3.318 0.000) 8.699 3.992 ( 0.672 6.405 0.000) 6.440 4.112 ( 10.168 5.690 0.000) 11.652 4.480 ( 3.176 0.137 0.000) 3.179 4.554 ( -7.902 4.246 0.000) 8.971 5.260 ( 0.747 -4.737 0.000) 4.796 5.416 ( -0.385 2.398 0.000) 2.429 5.740 ( -0.187 -0.849 0.000) 0.869 7.062 ( 1.162 0.208 0.000) 1.181 7.694 ( -0.206 -0.833 0.000) 0.859 10.145 ( 0.123 2.476 0.000) 2.479 10.695 ( -0.168 0.227 0.000) 0.283 14.246 ( 0.263 -0.517 0.000) 0.580 15.243 ( 0.033 -0.039 0.000) 0.051 17.962 ( -0.708 0.546 0.000) 0.895 18.234 ( -0.758 0.172 0.000) 0.777 18.803 ( 0.003 0.024 0.000) 0.024 18.908 ( -0.187 -0.522 0.000) 0.555 19.041 ( -0.324 0.637 0.000) 0.715 20.188 ( -1.141 -3.050 0.000) 3.256 ======================= Grid point 6 (7/215) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 -0.000 0.000) 0.000 1.525 ( 0.000 -0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.278 ( -0.000 -0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 -0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.420 ( -0.000 -0.000 0.000) 0.000 4.509 ( 0.000 -0.000 0.000) 0.000 5.306 ( 0.000 -0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 -0.000 0.000) 0.000 7.072 ( 0.000 -0.000 0.000) 0.000 7.695 ( 0.000 -0.000 0.000) 0.000 10.138 ( 0.000 0.000 0.000) 0.000 10.692 ( 0.000 -0.000 0.000) 0.000 14.251 ( 0.000 -0.000 0.000) 0.000 15.243 ( 0.000 -0.000 0.000) 0.000 17.953 ( 0.000 -0.000 0.000) 0.000 18.227 ( 0.000 -0.000 0.000) 0.000 18.803 ( 0.000 0.000 0.000) 0.000 18.908 ( 0.000 -0.000 0.000) 0.000 19.036 ( 0.000 -0.000 0.000) 0.000 20.189 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/215) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 16.103 0.000 0.000) 16.103 0.647 ( 17.583 0.000 0.000) 17.583 1.085 ( 27.094 0.000 0.000) 27.094 3.167 ( 24.595 0.000 0.000) 24.595 3.192 ( 0.499 0.000 0.000) 0.499 3.724 ( -4.667 -0.000 0.000) 4.667 4.174 ( 5.887 0.000 0.000) 5.887 4.347 ( -4.983 -0.000 0.000) 4.983 4.895 ( -5.483 -0.000 0.000) 5.483 5.346 ( -1.884 -0.000 0.000) 1.884 5.406 ( 2.415 0.000 0.000) 2.415 5.649 ( 1.304 0.000 0.000) 1.304 6.957 ( 2.094 0.000 0.000) 2.094 7.669 ( -0.220 -0.000 0.000) 0.220 10.375 ( -2.373 -0.000 0.000) 2.373 10.723 ( -0.329 -0.000 0.000) 0.329 14.195 ( 0.492 0.000 0.000) 0.492 15.237 ( 0.070 0.000 0.000) 0.070 18.064 ( -1.394 -0.000 0.000) 1.394 18.325 ( -1.374 -0.000 0.000) 1.374 18.805 ( -0.004 -0.000 0.000) 0.004 18.896 ( -0.193 -0.000 0.000) 0.193 19.105 ( -0.627 -0.000 0.000) 0.627 20.061 ( -0.231 -0.000 0.000) 0.231 ======================= Grid point 15 (9/215) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 14.348 -4.083 0.000) 14.918 0.945 ( 16.861 6.862 0.000) 18.204 1.615 ( 22.535 -16.314 0.000) 27.821 3.202 ( 1.274 1.587 0.000) 2.035 3.625 ( -6.326 -0.944 0.000) 6.396 3.630 ( 24.771 2.641 0.000) 24.911 4.238 ( -3.949 4.963 0.000) 6.342 4.290 ( 6.435 0.144 0.000) 6.437 4.801 ( -4.733 -1.367 0.000) 4.926 5.295 ( -4.387 -2.091 0.000) 4.860 5.431 ( 1.302 2.675 0.000) 2.974 5.688 ( 0.875 -3.033 0.000) 3.157 6.999 ( 2.344 0.147 0.000) 2.348 7.668 ( -0.135 -0.644 0.000) 0.658 10.309 ( -2.340 4.251 0.000) 4.853 10.715 ( -0.414 0.171 0.000) 0.448 14.208 ( 0.656 -0.371 0.000) 0.754 15.239 ( 0.085 -0.030 0.000) 0.090 18.032 ( -1.681 0.472 0.000) 1.746 18.295 ( -1.606 0.409 0.000) 1.658 18.804 ( -0.007 0.019 0.000) 0.020 18.894 ( -0.141 -0.424 0.000) 0.447 19.089 ( -0.826 0.461 0.000) 0.947 20.077 ( -0.361 -4.621 0.000) 4.635 ======================= Grid point 16 (10/215) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 14.065 12.231 0.000) 18.639 1.200 ( 11.594 -4.553 0.000) 12.456 2.134 ( 17.201 -24.075 0.000) 29.588 3.222 ( 2.683 2.821 0.000) 3.893 3.504 ( -7.658 -1.761 0.000) 7.858 3.994 ( 15.902 4.935 0.000) 16.650 4.152 ( -0.754 5.546 0.000) 5.597 4.401 ( 5.401 0.135 0.000) 5.403 4.743 ( -1.808 1.336 0.000) 2.248 5.205 ( -6.089 -2.977 0.000) 6.778 5.438 ( 0.576 0.807 0.000) 0.991 5.715 ( 0.321 -1.543 0.000) 1.576 7.038 ( 1.942 0.204 0.000) 1.953 7.673 ( 0.063 -0.879 0.000) 0.882 10.239 ( -1.999 3.841 0.000) 4.330 10.706 ( -0.411 0.230 0.000) 0.471 14.224 ( 0.700 -0.511 0.000) 0.867 15.241 ( 0.080 -0.039 0.000) 0.089 17.998 ( -1.561 0.596 0.000) 1.671 18.263 ( -1.395 0.493 0.000) 1.479 18.804 ( -0.010 0.025 0.000) 0.027 18.897 ( -0.014 -0.550 0.000) 0.551 19.069 ( -0.872 0.633 0.000) 1.077 20.108 ( 0.091 -4.428 0.000) 4.429 ======================= Grid point 17 (11/215) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 9.776 15.290 0.000) 18.148 1.411 ( 7.901 -2.963 0.000) 8.439 2.587 ( 11.659 -26.285 0.000) 28.754 3.266 ( 4.490 3.386 0.000) 5.624 3.371 ( -8.138 -2.491 0.000) 8.511 4.084 ( 0.296 5.759 0.000) 5.766 4.184 ( 6.087 3.337 0.000) 6.942 4.481 ( 3.028 0.031 0.000) 3.028 4.661 ( -4.251 9.751 0.000) 10.637 5.177 ( 0.457 -6.026 0.000) 6.043 5.429 ( -1.623 -0.757 0.000) 1.791 5.727 ( 0.251 -0.738 0.000) 0.780 7.065 ( 1.024 0.151 0.000) 1.035 7.683 ( 0.334 -0.664 0.000) 0.743 10.182 ( -1.669 2.361 0.000) 2.891 10.698 ( -0.322 0.167 0.000) 0.363 14.240 ( 0.608 -0.378 0.000) 0.716 15.242 ( 0.059 -0.028 0.000) 0.066 17.969 ( -1.093 0.408 0.000) 1.166 18.239 ( -0.811 0.388 0.000) 0.899 18.804 ( -0.014 0.018 0.000) 0.023 18.902 ( 0.178 -0.383 0.000) 0.422 19.050 ( -0.751 0.466 0.000) 0.884 20.144 ( 0.996 -2.827 0.000) 2.997 ======================= Grid point 18 (12/215) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 5.320 15.864 0.000) 16.732 1.528 ( 3.442 0.280 0.000) 3.454 2.926 ( 5.282 -21.551 0.000) 22.188 3.236 ( -7.659 -3.403 0.000) 8.381 3.351 ( 6.448 3.287 0.000) 7.237 4.030 ( -0.674 6.755 0.000) 6.789 4.229 ( -2.622 0.647 0.000) 2.700 4.490 ( -2.447 8.767 0.000) 9.103 4.508 ( -0.138 -0.095 0.000) 0.168 5.259 ( 2.262 -4.740 0.000) 5.252 5.395 ( -2.123 -0.500 0.000) 2.181 5.738 ( 0.455 -0.399 0.000) 0.606 7.072 ( -0.163 -0.001 0.000) 0.163 7.695 ( 0.614 -0.069 0.000) 0.618 10.142 ( -1.567 0.511 0.000) 1.648 10.692 ( -0.176 0.000 0.000) 0.176 14.251 ( 0.402 -0.001 0.000) 0.402 15.243 ( 0.030 -0.000 0.000) 0.030 17.953 ( -0.418 -0.001 0.000) 0.418 18.229 ( -0.023 0.250 0.000) 0.251 18.803 ( -0.019 0.000 0.000) 0.019 18.908 ( 0.403 0.006 0.000) 0.403 19.036 ( -0.496 0.000 0.000) 0.496 20.185 ( 2.065 -0.493 0.000) 2.123 ======================= Grid point 19 (13/215) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 1.295 14.912 0.000) 14.968 1.531 ( -1.207 4.676 0.000) 4.830 3.049 ( -3.690 -5.239 0.000) 6.408 3.135 ( -6.194 -4.988 0.000) 7.953 3.463 ( 7.841 3.323 0.000) 8.516 3.969 ( -4.101 5.997 0.000) 7.265 4.046 ( -10.430 -3.240 0.000) 10.922 4.477 ( -3.351 -0.250 0.000) 3.361 4.531 ( 6.925 0.260 0.000) 6.930 5.288 ( -0.934 -1.523 0.000) 1.786 5.382 ( -0.375 -1.563 0.000) 1.607 5.747 ( 0.398 0.156 0.000) 0.428 7.059 ( -1.323 -0.209 0.000) 1.340 7.706 ( 0.827 0.752 0.000) 1.118 10.115 ( -1.842 -1.694 0.000) 2.502 10.691 ( -0.009 -0.227 0.000) 0.227 14.254 ( 0.138 0.517 0.000) 0.535 15.244 ( -0.003 0.038 0.000) 0.038 17.954 ( 0.285 -0.534 0.000) 0.605 18.235 ( 0.800 0.166 0.000) 0.817 18.803 ( -0.022 -0.024 0.000) 0.033 18.916 ( 0.597 0.521 0.000) 0.792 19.032 ( -0.173 -0.639 0.000) 0.662 20.227 ( 3.190 2.260 0.000) 3.909 ======================= Grid point 20 (14/215) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -2.535 13.775 0.000) 14.006 1.419 ( -5.189 9.338 0.000) 10.682 2.849 ( -12.598 16.468 0.000) 20.734 3.082 ( -3.856 -6.228 0.000) 7.325 3.585 ( 7.741 3.345 0.000) 8.433 3.718 ( -19.235 -8.842 0.000) 21.170 4.032 ( 1.841 -1.181 0.000) 2.188 4.392 ( -5.805 -0.478 0.000) 5.825 4.668 ( 6.325 -2.287 0.000) 6.726 5.306 ( 3.411 0.393 0.000) 3.433 5.370 ( -3.044 -2.787 0.000) 4.127 5.750 ( 0.219 0.272 0.000) 0.349 7.028 ( -2.175 -0.414 0.000) 2.214 7.713 ( 0.906 1.602 0.000) 1.840 10.096 ( -2.599 -4.471 0.000) 5.172 10.695 ( 0.136 -0.458 0.000) 0.478 14.248 ( -0.109 1.031 0.000) 1.037 15.243 ( -0.032 0.078 0.000) 0.085 17.970 ( 0.843 -1.093 0.000) 1.381 18.255 ( 1.508 0.161 0.000) 1.517 18.803 ( -0.022 -0.050 0.000) 0.054 18.922 ( 0.685 1.057 0.000) 1.259 19.039 ( 0.131 -1.278 0.000) 1.285 20.271 ( 4.453 5.209 0.000) 6.853 ======================= Grid point 21 (15/215) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -6.052 13.201 0.000) 14.522 1.212 ( -7.802 13.633 0.000) 15.708 2.397 ( -17.017 28.990 0.000) 33.615 3.077 ( -1.773 -6.571 0.000) 6.806 3.394 ( -23.966 -12.134 0.000) 26.863 3.694 ( 6.436 3.386 0.000) 7.273 4.087 ( 2.826 -1.747 0.000) 3.322 4.277 ( -6.776 -0.743 0.000) 6.817 4.786 ( 4.196 -2.617 0.000) 4.945 5.296 ( -7.136 -3.546 0.000) 7.968 5.418 ( 8.443 1.758 0.000) 8.624 5.765 ( 1.950 -0.273 0.000) 1.969 6.987 ( -2.494 -0.557 0.000) 2.556 7.716 ( 0.827 2.275 0.000) 2.420 10.079 ( -4.263 -8.024 0.000) 9.086 10.703 ( 0.223 -0.635 0.000) 0.673 14.236 ( -0.270 1.399 0.000) 1.425 15.241 ( -0.050 0.110 0.000) 0.121 17.999 ( 1.133 -1.569 0.000) 1.935 18.286 ( 1.945 0.258 0.000) 1.962 18.803 ( -0.017 -0.071 0.000) 0.073 18.925 ( 0.630 1.496 0.000) 1.623 19.054 ( 0.335 -1.742 0.000) 1.774 20.320 ( 6.234 8.334 0.000) 10.408 ======================= Grid point 22 (16/215) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -8.553 13.400 0.000) 15.897 0.943 ( -8.765 17.684 0.000) 19.737 1.834 ( -17.530 36.417 0.000) 40.416 3.019 ( -24.179 -10.418 0.000) 26.328 3.103 ( -0.505 -5.896 0.000) 5.918 3.772 ( 4.402 3.018 0.000) 5.338 4.162 ( -5.886 -0.789 0.000) 5.938 4.166 ( 3.807 -3.189 0.000) 4.966 4.852 ( 0.183 -2.985 0.000) 2.991 5.154 ( -10.421 -3.536 0.000) 11.005 5.552 ( 6.230 2.052 0.000) 6.559 5.861 ( 10.054 2.024 0.000) 10.256 6.947 ( -2.168 -0.603 0.000) 2.250 7.711 ( 0.616 2.604 0.000) 2.676 10.042 ( -8.183 -12.502 0.000) 14.942 10.712 ( 0.229 -0.708 0.000) 0.744 14.220 ( -0.303 1.522 0.000) 1.552 15.239 ( -0.052 0.124 0.000) 0.134 18.033 ( 1.088 -1.841 0.000) 2.139 18.321 ( 1.965 0.498 0.000) 2.027 18.803 ( -0.009 -0.081 0.000) 0.082 18.924 ( 0.454 1.712 0.000) 1.771 19.075 ( 0.382 -1.906 0.000) 1.944 20.391 ( 9.605 11.897 0.000) 15.290 ======================= Grid point 23 (17/215) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -8.457 14.862 0.000) 17.099 0.644 ( -7.437 22.118 0.000) 23.335 1.244 ( -13.952 43.807 0.000) 45.975 2.696 ( -16.284 -8.088 0.000) 18.182 3.137 ( -0.058 -4.541 0.000) 4.541 3.816 ( 2.295 1.968 0.000) 3.023 4.078 ( -3.477 -0.350 0.000) 3.495 4.272 ( 4.680 -3.970 0.000) 6.137 4.762 ( -15.528 -5.041 0.000) 16.325 5.025 ( -3.447 -1.755 0.000) 3.868 5.613 ( 1.858 0.546 0.000) 1.936 6.121 ( 21.636 6.962 0.000) 22.729 6.919 ( -1.255 -0.544 0.000) 1.368 7.702 ( 0.353 2.501 0.000) 2.526 9.921 ( -17.737 -16.376 0.000) 24.141 10.720 ( 0.149 -0.652 0.000) 0.669 14.204 ( -0.203 1.375 0.000) 1.390 15.238 ( -0.034 0.115 0.000) 0.120 18.063 ( 0.705 -1.795 0.000) 1.929 18.349 ( 1.474 0.820 0.000) 1.687 18.804 ( -0.003 -0.076 0.000) 0.076 18.918 ( 0.220 1.616 0.000) 1.631 19.094 ( 0.259 -1.728 0.000) 1.747 20.533 ( 17.196 14.607 0.000) 22.562 ======================= Grid point 24 (18/215) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( -0.000 17.558 0.000) 17.558 0.382 ( -0.000 26.219 0.000) 26.219 0.741 ( -0.000 50.910 0.000) 50.910 2.583 ( 0.000 -5.682 0.000) 5.682 3.164 ( 0.000 -3.023 0.000) 3.023 3.828 ( -0.000 1.061 0.000) 1.061 4.045 ( 0.000 -0.005 0.000) 0.005 4.379 ( -0.000 3.002 0.000) 3.002 4.459 ( 0.000 -0.223 0.000) 0.223 5.014 ( 0.000 -0.996 0.000) 0.996 5.627 ( -0.000 0.105 0.000) 0.105 6.484 ( 0.000 -7.424 0.000) 7.424 6.910 ( 0.000 -0.396 0.000) 0.396 7.689 ( -0.000 1.927 0.000) 1.927 9.651 ( -0.000 0.122 0.000) 0.122 10.726 ( 0.000 -0.480 0.000) 0.480 14.193 ( -0.000 1.001 0.000) 1.001 15.237 ( -0.000 0.085 0.000) 0.085 18.082 ( 0.000 -1.399 0.000) 1.399 18.359 ( -0.000 0.766 0.000) 0.766 18.804 ( 0.000 -0.057 0.000) 0.057 18.910 ( -0.000 1.211 0.000) 1.211 19.108 ( 0.000 -1.260 0.000) 1.260 20.779 ( 0.000 -0.269 0.000) 0.269 ======================= Grid point 27 (19/215) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 12.696 0.000 0.000) 12.696 1.295 ( 16.873 0.000 0.000) 16.873 1.921 ( 16.674 0.000 0.000) 16.674 3.243 ( 2.557 0.000 0.000) 2.557 3.491 ( -7.658 -0.000 0.000) 7.658 4.028 ( 15.042 0.000 0.000) 15.042 4.199 ( -1.534 -0.000 0.000) 1.534 4.402 ( 5.342 0.000 0.000) 5.342 4.749 ( 0.863 0.000 0.000) 0.863 5.184 ( -6.241 -0.000 0.000) 6.241 5.443 ( -1.134 -0.000 0.000) 1.134 5.702 ( 1.224 0.000 0.000) 1.224 7.039 ( 1.907 0.000 0.000) 1.907 7.667 ( 0.214 0.000 0.000) 0.214 10.268 ( -3.101 -0.000 0.000) 3.101 10.708 ( -0.453 -0.000 0.000) 0.453 14.220 ( 0.791 0.000 0.000) 0.791 15.241 ( 0.087 0.000 0.000) 0.087 18.002 ( -1.685 -0.000 0.000) 1.685 18.267 ( -1.468 -0.000 0.000) 1.468 18.804 ( -0.015 -0.000 0.000) 0.015 18.893 ( 0.097 0.000 0.000) 0.097 19.074 ( -0.985 -0.000 0.000) 0.985 20.073 ( 1.257 0.000 0.000) 1.257 ======================= Grid point 28 (20/215) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 9.713 -1.048 0.000) 9.769 1.535 ( 14.184 14.876 0.000) 20.554 2.239 ( 10.538 -18.170 0.000) 21.004 3.301 ( 4.177 1.372 0.000) 4.397 3.344 ( -8.280 -1.068 0.000) 8.349 4.150 ( 0.386 2.856 0.000) 2.882 4.207 ( 2.738 0.226 0.000) 2.747 4.481 ( 2.942 -0.003 0.000) 2.942 4.787 ( 0.374 5.620 0.000) 5.633 5.108 ( -0.039 -2.772 0.000) 2.772 5.404 ( -3.320 -1.738 0.000) 3.748 5.721 ( 0.738 -0.122 0.000) 0.748 7.066 ( 0.944 0.055 0.000) 0.946 7.676 ( 0.648 -0.254 0.000) 0.696 10.207 ( -2.866 0.989 0.000) 3.032 10.699 ( -0.412 0.061 0.000) 0.416 14.236 ( 0.807 -0.138 0.000) 0.819 15.242 ( 0.074 -0.010 0.000) 0.075 17.973 ( -1.323 0.151 0.000) 1.331 18.244 ( -0.907 0.208 0.000) 0.931 18.804 ( -0.023 0.007 0.000) 0.024 18.898 ( 0.393 -0.140 0.000) 0.418 19.054 ( -0.997 0.170 0.000) 1.011 20.114 ( 2.443 -1.180 0.000) 2.713 ======================= Grid point 29 (21/215) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 5.981 0.282 0.000) 5.987 1.609 ( 9.140 23.288 0.000) 25.017 2.562 ( 6.163 -26.489 0.000) 27.196 3.195 ( -8.414 -2.053 0.000) 8.661 3.390 ( 6.294 1.937 0.000) 6.585 4.095 ( -3.251 2.088 0.000) 3.864 4.258 ( 2.564 2.742 0.000) 3.754 4.507 ( -0.241 -0.096 0.000) 0.259 4.630 ( -7.890 8.821 0.000) 11.834 5.204 ( 4.549 -2.061 0.000) 4.994 5.358 ( -3.348 -4.211 0.000) 5.380 5.734 ( 0.697 -0.035 0.000) 0.698 7.072 ( -0.282 -0.001 0.000) 0.282 7.693 ( 1.066 -0.068 0.000) 1.068 10.150 ( -2.738 0.512 0.000) 2.786 10.692 ( -0.304 0.000 0.000) 0.304 14.251 ( 0.696 -0.001 0.000) 0.696 15.243 ( 0.051 -0.000 0.000) 0.051 17.953 ( -0.724 -0.001 0.000) 0.724 18.233 ( -0.063 0.253 0.000) 0.261 18.803 ( -0.032 0.000 0.000) 0.032 18.909 ( 0.698 0.006 0.000) 0.698 19.036 ( -0.859 0.000 0.000) 0.859 20.177 ( 3.620 -0.497 0.000) 3.654 ======================= Grid point 30 (22/215) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 4.352 24.699 0.000) 25.079 1.593 ( 1.991 3.710 0.000) 4.210 2.816 ( 0.576 -23.796 0.000) 23.803 3.069 ( -7.210 -3.893 0.000) 8.194 3.505 ( 7.663 2.453 0.000) 8.046 4.011 ( -7.028 -1.417 0.000) 7.169 4.146 ( -6.603 15.346 0.000) 16.706 4.473 ( -3.510 -0.258 0.000) 3.520 4.539 ( 2.847 -0.032 0.000) 2.847 5.242 ( -1.442 -3.444 0.000) 3.733 5.357 ( -0.484 -2.625 0.000) 2.669 5.748 ( 0.565 -0.017 0.000) 0.565 7.056 ( -1.464 -0.154 0.000) 1.472 7.715 ( 1.363 0.502 0.000) 1.453 10.097 ( -3.107 -0.788 0.000) 3.205 10.688 ( -0.163 -0.166 0.000) 0.232 14.260 ( 0.487 0.379 0.000) 0.617 15.244 ( 0.024 0.028 0.000) 0.037 17.947 ( -0.067 -0.384 0.000) 0.390 18.238 ( 0.874 0.304 0.000) 0.925 18.803 ( -0.039 -0.018 0.000) 0.043 18.923 ( 0.941 0.381 0.000) 1.015 19.024 ( -0.606 -0.469 0.000) 0.766 20.252 ( 4.724 1.222 0.000) 4.879 ======================= Grid point 31 (23/215) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.044 23.382 0.000) 23.382 1.551 ( -1.673 8.570 0.000) 8.731 2.890 ( -7.122 -11.522 0.000) 13.545 2.991 ( -4.911 -6.065 0.000) 7.804 3.632 ( 7.812 2.928 0.000) 8.343 3.707 ( -19.751 7.017 0.000) 20.960 4.052 ( 2.271 4.767 0.000) 5.280 4.385 ( -6.069 -0.534 0.000) 6.093 4.639 ( 5.390 -2.213 0.000) 5.826 5.261 ( 0.719 -5.348 0.000) 5.397 5.345 ( -2.234 -1.604 0.000) 2.750 5.750 ( -0.341 -0.099 0.000) 0.356 7.022 ( -2.313 -0.361 0.000) 2.341 7.735 ( 1.461 1.317 0.000) 1.968 10.044 ( -4.029 -2.734 0.000) 4.869 10.689 ( -0.022 -0.396 0.000) 0.396 14.263 ( 0.238 0.898 0.000) 0.929 15.244 ( -0.004 0.068 0.000) 0.068 17.956 ( 0.478 -0.910 0.000) 1.028 18.260 ( 1.725 0.456 0.000) 1.785 18.802 ( -0.040 -0.043 0.000) 0.058 18.937 ( 1.044 0.896 0.000) 1.375 19.021 ( -0.303 -1.114 0.000) 1.154 20.333 ( 5.779 3.378 0.000) 6.694 ======================= Grid point 32 (24/215) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -4.058 21.113 0.000) 21.499 1.413 ( -4.233 13.694 0.000) 14.333 2.715 ( -12.086 9.225 0.000) 15.204 2.973 ( -2.432 -7.599 0.000) 7.979 3.273 ( -23.204 0.517 0.000) 23.210 3.745 ( 6.619 3.456 0.000) 7.467 4.089 ( 3.814 1.997 0.000) 4.305 4.265 ( -7.101 -0.942 0.000) 7.163 4.745 ( 3.784 -2.846 0.000) 4.735 5.248 ( -6.584 -3.058 0.000) 7.260 5.406 ( 7.327 -3.959 0.000) 8.328 5.746 ( -0.231 -1.691 0.000) 1.706 6.979 ( -2.607 -0.563 0.000) 2.667 7.749 ( 1.330 2.184 0.000) 2.557 9.984 ( -5.580 -5.083 0.000) 7.547 10.693 ( 0.085 -0.633 0.000) 0.638 14.257 ( 0.019 1.411 0.000) 1.411 15.243 ( -0.025 0.110 0.000) 0.112 17.977 ( 0.795 -1.474 0.000) 1.675 18.294 ( 2.311 0.716 0.000) 2.420 18.802 ( -0.034 -0.070 0.000) 0.078 18.947 ( 0.956 1.443 0.000) 1.731 19.028 ( -0.033 -1.758 0.000) 1.758 20.420 ( 7.027 5.407 0.000) 8.867 ======================= Grid point 33 (25/215) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -7.114 18.719 0.000) 20.025 1.207 ( -5.137 18.387 0.000) 19.091 2.341 ( -11.529 30.542 0.000) 32.645 2.860 ( -23.884 -8.855 0.000) 25.472 3.003 ( -0.696 -7.881 0.000) 7.911 3.821 ( 4.258 3.661 0.000) 5.615 4.148 ( -5.934 -1.202 0.000) 6.054 4.159 ( 5.228 1.694 0.000) 5.496 4.807 ( -0.153 -3.109 0.000) 3.113 5.113 ( -9.345 -2.386 0.000) 9.645 5.568 ( 5.912 -0.250 0.000) 5.918 5.817 ( 6.626 -6.955 0.000) 9.606 6.938 ( -2.244 -0.706 0.000) 2.353 7.752 ( 1.007 2.894 0.000) 3.064 9.903 ( -8.076 -6.956 0.000) 10.659 10.701 ( 0.131 -0.814 0.000) 0.824 14.244 ( -0.109 1.775 0.000) 1.779 15.241 ( -0.034 0.143 0.000) 0.146 18.005 ( 0.824 -1.961 0.000) 2.127 18.332 ( 2.421 1.031 0.000) 2.631 18.802 ( -0.022 -0.093 0.000) 0.095 18.951 ( 0.693 1.891 0.000) 2.014 19.044 ( 0.132 -2.223 0.000) 2.227 20.522 ( 8.818 6.530 0.000) 10.972 ======================= Grid point 34 (26/215) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -6.857 17.354 0.000) 18.659 0.970 ( -4.035 22.502 0.000) 22.861 1.885 ( -7.790 43.605 0.000) 44.295 2.548 ( -16.412 -11.717 0.000) 20.165 3.052 ( -0.008 -7.105 0.000) 7.105 3.851 ( 1.631 2.797 0.000) 3.238 4.071 ( -2.993 -0.625 0.000) 3.058 4.266 ( 7.971 2.000 0.000) 8.218 4.723 ( -11.996 -1.289 0.000) 12.065 4.998 ( -3.144 -2.069 0.000) 3.764 5.621 ( 1.219 0.528 0.000) 1.329 6.079 ( 12.593 -10.259 0.000) 16.243 6.909 ( -1.291 -0.753 0.000) 1.494 7.744 ( 0.576 3.256 0.000) 3.307 9.775 ( -10.527 -5.627 0.000) 11.936 10.709 ( 0.102 -0.887 0.000) 0.893 14.228 ( -0.115 1.897 0.000) 1.901 15.240 ( -0.025 0.156 0.000) 0.158 18.033 ( 0.554 -2.246 0.000) 2.314 18.364 ( 1.763 1.253 0.000) 2.162 18.802 ( -0.009 -0.103 0.000) 0.104 18.946 ( 0.338 2.108 0.000) 2.135 19.064 ( 0.144 -2.385 0.000) 2.389 20.659 ( 10.109 4.708 0.000) 11.151 ======================= Grid point 35 (27/215) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -0.000 17.557 0.000) 17.557 0.754 ( -0.000 25.083 0.000) 25.083 1.464 ( -0.000 48.986 0.000) 48.986 2.466 ( 0.000 -10.282 0.000) 10.282 3.099 ( 0.000 -5.844 0.000) 5.844 3.849 ( -0.000 1.840 0.000) 1.840 4.045 ( 0.000 -0.008 0.000) 0.008 4.439 ( -0.000 5.099 0.000) 5.099 4.455 ( 0.000 -0.375 0.000) 0.375 4.993 ( 0.000 -1.957 0.000) 1.957 5.629 ( -0.000 0.182 0.000) 0.182 6.329 ( 0.000 -13.948 0.000) 13.948 6.902 ( 0.000 -0.693 0.000) 0.693 7.727 ( -0.000 3.125 0.000) 3.125 9.654 ( -0.000 0.212 0.000) 0.212 10.716 ( 0.000 -0.828 0.000) 0.828 14.214 ( -0.000 1.749 0.000) 1.749 15.238 ( -0.000 0.146 0.000) 0.146 18.055 ( 0.000 -2.214 0.000) 2.214 18.373 ( -0.000 1.207 0.000) 1.207 18.803 ( 0.000 -0.097 0.000) 0.097 18.934 ( -0.000 2.013 0.000) 2.013 19.082 ( 0.000 -2.202 0.000) 2.202 20.774 ( 0.000 -0.473 0.000) 0.473 ======================= Grid point 40 (28/215) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 6.917 0.000 0.000) 6.917 1.859 ( 12.759 0.000 0.000) 12.759 2.290 ( 3.776 0.000 0.000) 3.776 3.180 ( -8.665 -0.000 0.000) 8.665 3.404 ( 6.204 0.000 0.000) 6.204 4.107 ( -4.868 -0.000 0.000) 4.868 4.282 ( 5.453 0.000 0.000) 5.453 4.506 ( -0.279 -0.000 0.000) 0.279 4.700 ( -10.485 -0.000 0.000) 10.485 5.199 ( 7.563 0.000 0.000) 7.563 5.312 ( -5.344 -0.000 0.000) 5.344 5.735 ( 0.729 0.000 0.000) 0.729 7.072 ( -0.326 -0.000 0.000) 0.326 7.693 ( 1.231 0.000 0.000) 1.231 10.154 ( -3.176 -0.000 0.000) 3.176 10.692 ( -0.352 -0.000 0.000) 0.352 14.251 ( 0.804 0.000 0.000) 0.804 15.243 ( 0.059 0.000 0.000) 0.059 17.953 ( -0.836 -0.000 0.000) 0.836 18.235 ( -0.087 -0.000 0.000) 0.087 18.803 ( -0.037 -0.000 0.000) 0.037 18.909 ( 0.806 0.000 0.000) 0.806 19.036 ( -0.992 -0.000 0.000) 0.992 20.173 ( 4.205 0.000 0.000) 4.205 ======================= Grid point 41 (29/215) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 3.920 1.431 0.000) 4.173 1.938 ( 6.482 25.564 0.000) 26.373 2.438 ( 0.856 -25.712 0.000) 25.726 3.029 ( -7.931 -1.490 0.000) 8.070 3.530 ( 7.569 0.904 0.000) 7.623 3.999 ( -7.049 -0.397 0.000) 7.060 4.350 ( 0.728 11.084 0.000) 11.108 4.470 ( -3.606 -0.111 0.000) 3.608 4.510 ( -5.108 -4.098 0.000) 6.548 5.213 ( -4.010 -0.491 0.000) 4.040 5.311 ( 1.792 -2.683 0.000) 3.227 5.748 ( 0.614 0.046 0.000) 0.615 7.055 ( -1.545 -0.057 0.000) 1.546 7.720 ( 1.674 0.174 0.000) 1.683 10.090 ( -3.766 -0.199 0.000) 3.771 10.687 ( -0.251 -0.061 0.000) 0.258 14.264 ( 0.690 0.139 0.000) 0.704 15.244 ( 0.039 0.010 0.000) 0.040 17.943 ( -0.265 -0.139 0.000) 0.299 18.242 ( 0.921 0.146 0.000) 0.932 18.802 ( -0.048 -0.006 0.000) 0.049 18.926 ( 1.136 0.139 0.000) 1.145 19.019 ( -0.857 -0.172 0.000) 0.874 20.264 ( 5.541 0.364 0.000) 5.553 ======================= Grid point 42 (30/215) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 1.073 5.319 0.000) 5.426 1.797 ( 0.064 27.623 0.000) 27.623 2.603 ( -4.460 -25.161 0.000) 25.553 2.916 ( -6.037 -3.944 0.000) 7.211 3.666 ( 7.886 1.720 0.000) 8.072 3.808 ( -13.487 4.539 0.000) 14.230 4.186 ( -1.876 12.660 0.000) 12.798 4.378 ( -6.288 -0.367 0.000) 6.298 4.591 ( 4.924 -4.768 0.000) 6.854 5.181 ( -0.913 -4.956 0.000) 5.040 5.316 ( -2.678 -1.916 0.000) 3.293 5.750 ( -0.527 0.046 0.000) 0.529 7.018 ( -2.414 -0.210 0.000) 2.423 7.750 ( 1.867 0.733 0.000) 2.006 10.016 ( -4.761 -1.181 0.000) 4.905 10.684 ( -0.137 -0.228 0.000) 0.266 14.273 ( 0.495 0.520 0.000) 0.718 15.245 ( 0.016 0.039 0.000) 0.042 17.945 ( 0.227 -0.512 0.000) 0.560 18.266 ( 1.888 0.365 0.000) 1.922 18.802 ( -0.053 -0.024 0.000) 0.058 18.947 ( 1.295 0.510 0.000) 1.391 19.008 ( -0.625 -0.646 0.000) 0.899 20.369 ( 6.453 1.576 0.000) 6.643 ======================= Grid point 43 (31/215) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -5.257 24.487 0.000) 25.045 1.594 ( -1.259 10.747 0.000) 10.821 2.611 ( -11.379 -18.139 0.000) 21.413 2.867 ( -3.400 -6.733 0.000) 7.543 3.441 ( -16.560 16.361 0.000) 23.279 3.790 ( 6.889 2.644 0.000) 7.379 4.145 ( 3.428 5.741 0.000) 6.686 4.251 ( -7.488 -0.860 0.000) 7.537 4.703 ( 3.742 -3.053 0.000) 4.829 5.208 ( -4.470 -2.678 0.000) 5.211 5.309 ( 3.344 -8.307 0.000) 8.955 5.729 ( -1.632 -0.527 0.000) 1.715 6.972 ( -2.707 -0.416 0.000) 2.739 7.776 ( 1.758 1.546 0.000) 2.341 9.930 ( -5.921 -2.496 0.000) 6.426 10.685 ( -0.035 -0.462 0.000) 0.463 14.275 ( 0.274 1.040 0.000) 1.076 15.244 ( -0.004 0.080 0.000) 0.080 17.958 ( 0.528 -1.033 0.000) 1.160 18.305 ( 2.559 0.688 0.000) 2.650 18.801 ( -0.048 -0.051 0.000) 0.070 18.965 ( 1.221 1.027 0.000) 1.595 19.006 ( -0.357 -1.297 0.000) 1.345 20.478 ( 7.020 2.817 0.000) 7.564 ======================= Grid point 44 (32/215) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -8.647 20.646 0.000) 22.384 1.460 ( -2.444 16.086 0.000) 16.271 2.469 ( -14.491 -12.087 0.000) 18.870 2.882 ( -1.154 -8.503 0.000) 8.581 2.994 ( -14.450 25.964 0.000) 29.714 3.874 ( 4.336 3.568 0.000) 5.615 4.128 ( -6.162 -1.506 0.000) 6.344 4.200 ( 5.817 3.633 0.000) 6.859 4.766 ( 0.560 -2.425 0.000) 2.489 5.084 ( -8.739 -1.607 0.000) 8.885 5.511 ( 8.487 -9.094 0.000) 12.439 5.717 ( -0.412 -4.614 0.000) 4.632 6.928 ( -2.323 -0.620 0.000) 2.404 7.791 ( 1.366 2.408 0.000) 2.768 9.832 ( -6.889 -3.237 0.000) 7.612 10.689 ( 0.033 -0.702 0.000) 0.702 14.269 ( 0.089 1.554 0.000) 1.556 15.243 ( -0.015 0.123 0.000) 0.124 17.978 ( 0.590 -1.594 0.000) 1.699 18.348 ( 2.643 1.021 0.000) 2.834 18.801 ( -0.034 -0.079 0.000) 0.086 18.976 ( 0.917 1.574 0.000) 1.822 19.013 ( -0.124 -1.947 0.000) 1.951 20.589 ( 7.258 3.129 0.000) 7.903 ======================= Grid point 45 (33/215) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -7.426 18.011 0.000) 19.482 1.283 ( -2.104 20.371 0.000) 20.480 2.300 ( -9.843 -7.796 0.000) 12.556 2.549 ( -9.958 33.082 0.000) 34.548 2.936 ( -0.081 -8.807 0.000) 8.807 3.894 ( 0.678 3.103 0.000) 3.176 4.060 ( -2.193 -0.959 0.000) 2.394 4.306 ( 8.345 3.100 0.000) 8.902 4.716 ( -8.164 0.350 0.000) 8.171 4.965 ( -3.929 -2.501 0.000) 4.657 5.626 ( 1.131 0.029 0.000) 1.131 5.873 ( 6.950 -17.077 0.000) 18.437 6.898 ( -1.333 -0.765 0.000) 1.537 7.791 ( 0.761 3.081 0.000) 3.173 9.725 ( -6.365 -2.003 0.000) 6.673 10.696 ( 0.048 -0.882 0.000) 0.884 14.256 ( -0.011 1.920 0.000) 1.920 15.242 ( -0.015 0.156 0.000) 0.157 18.001 ( 0.407 -2.070 0.000) 2.109 18.383 ( 1.822 1.222 0.000) 2.194 18.801 ( -0.016 -0.101 0.000) 0.103 18.976 ( 0.465 2.013 0.000) 2.066 19.028 ( 0.008 -2.414 0.000) 2.414 20.700 ( 6.153 1.563 0.000) 6.349 ======================= Grid point 46 (34/215) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -0.000 17.470 0.000) 17.470 1.102 ( -0.000 22.969 0.000) 22.969 2.148 ( -0.000 45.260 0.000) 45.260 2.293 ( 0.000 -13.394 0.000) 13.394 2.997 ( 0.000 -8.140 0.000) 8.140 3.879 ( -0.000 2.130 0.000) 2.130 4.045 ( 0.000 -0.008 0.000) 0.008 4.449 ( 0.000 -0.394 0.000) 0.394 4.521 ( -0.000 6.076 0.000) 6.076 4.958 ( 0.000 -2.861 0.000) 2.861 5.632 ( -0.000 0.210 0.000) 0.210 6.089 ( 0.000 -18.854 0.000) 18.854 6.891 ( 0.000 -0.814 0.000) 0.814 7.775 ( -0.000 3.378 0.000) 3.378 9.657 ( -0.000 0.246 0.000) 0.246 10.703 ( 0.000 -0.951 0.000) 0.951 14.242 ( -0.000 2.044 0.000) 2.044 15.241 ( -0.000 0.169 0.000) 0.169 18.021 ( 0.000 -2.325 0.000) 2.325 18.392 ( -0.000 1.281 0.000) 1.281 18.801 ( 0.000 -0.111 0.000) 0.111 18.965 ( -0.000 2.214 0.000) 2.214 19.047 ( 0.000 -2.573 0.000) 2.573 20.766 ( 0.000 -0.558 0.000) 0.558 ======================= Grid point 53 (35/215) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 2.170 0.000 0.000) 2.170 2.178 ( 3.230 0.000 0.000) 3.230 2.238 ( -6.984 -0.000 0.000) 6.984 2.886 ( -6.573 -0.000 0.000) 6.573 3.679 ( 7.921 0.000 0.000) 7.921 3.838 ( -10.203 -0.000 0.000) 10.203 4.318 ( -6.160 -0.000 0.000) 6.160 4.375 ( -6.375 -0.000 0.000) 6.375 4.529 ( 6.946 0.000 0.000) 6.946 5.141 ( -2.127 -0.000 0.000) 2.127 5.301 ( -2.532 -0.000 0.000) 2.532 5.750 ( -0.549 -0.000 0.000) 0.549 7.017 ( -2.452 -0.000 0.000) 2.452 7.755 ( 2.015 0.000 0.000) 2.015 10.008 ( -4.981 -0.000 0.000) 4.981 10.682 ( -0.179 -0.000 0.000) 0.179 14.277 ( 0.590 0.000 0.000) 0.590 15.245 ( 0.024 0.000 0.000) 0.024 17.941 ( 0.137 0.000 0.000) 0.137 18.269 ( 1.944 0.000 0.000) 1.944 18.801 ( -0.057 -0.000 0.000) 0.057 18.951 ( 1.384 0.000 0.000) 1.384 19.003 ( -0.744 -0.000 0.000) 0.744 20.380 ( 6.657 0.000 0.000) 6.657 ======================= Grid point 55 (36/215) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.666 4.278 0.000) 4.329 1.917 ( -8.618 24.333 0.000) 25.814 2.299 ( -8.554 -23.055 0.000) 24.591 2.794 ( -4.315 -2.886 0.000) 5.191 3.618 ( -10.850 6.518 0.000) 12.657 3.817 ( 7.127 1.006 0.000) 7.198 4.240 ( 0.536 5.553 0.000) 5.579 4.242 ( -7.791 -0.363 0.000) 7.799 4.658 ( 4.982 -2.691 0.000) 5.662 5.159 ( 2.068 -3.534 0.000) 4.095 5.223 ( -5.533 -2.356 0.000) 6.014 5.726 ( -1.910 -0.019 0.000) 1.910 6.968 ( -2.766 -0.153 0.000) 2.770 7.792 ( 2.001 0.555 0.000) 2.076 9.908 ( -5.968 -0.717 0.000) 6.011 10.680 ( -0.103 -0.169 0.000) 0.198 14.285 ( 0.423 0.383 0.000) 0.570 15.245 ( 0.009 0.029 0.000) 0.031 17.948 ( 0.383 -0.370 0.000) 0.532 18.312 ( 2.671 0.277 0.000) 2.685 18.800 ( -0.056 -0.018 0.000) 0.059 18.976 ( 1.367 0.370 0.000) 1.416 18.993 ( -0.546 -0.477 0.000) 0.725 20.504 ( 6.895 0.854 0.000) 6.948 ======================= Grid point 56 (37/215) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -11.675 20.290 0.000) 23.409 1.655 ( -0.497 10.238 0.000) 10.250 2.229 ( -14.151 -18.424 0.000) 23.231 2.770 ( -1.843 -6.302 0.000) 6.566 3.348 ( -7.926 19.375 0.000) 20.934 3.920 ( 4.866 2.482 0.000) 5.462 4.107 ( -6.785 -1.312 0.000) 6.910 4.258 ( 4.823 4.041 0.000) 6.292 4.737 ( 1.803 -1.650 0.000) 2.444 5.068 ( -8.705 -0.536 0.000) 8.721 5.337 ( 7.031 -12.289 0.000) 14.158 5.688 ( -2.159 -0.493 0.000) 2.215 6.921 ( -2.382 -0.361 0.000) 2.409 7.819 ( 1.612 1.353 0.000) 2.105 9.801 ( -6.091 -1.210 0.000) 6.210 10.681 ( -0.038 -0.404 0.000) 0.406 14.287 ( 0.236 0.904 0.000) 0.935 15.245 ( -0.002 0.071 0.000) 0.071 17.960 ( 0.434 -0.885 0.000) 0.986 18.360 ( 2.719 0.616 0.000) 2.788 18.800 ( -0.043 -0.045 0.000) 0.062 18.990 ( -0.314 -1.133 0.000) 1.176 18.994 ( 1.072 0.886 0.000) 1.391 20.620 ( 6.229 1.227 0.000) 6.349 ======================= Grid point 57 (38/215) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -8.921 17.584 0.000) 19.718 1.547 ( -0.824 15.665 0.000) 15.687 2.095 ( -11.730 -15.863 0.000) 19.729 2.807 ( -0.324 -8.541 0.000) 8.547 3.051 ( -4.161 31.031 0.000) 31.309 3.938 ( -0.699 2.890 0.000) 2.973 4.043 ( -0.916 -1.333 0.000) 1.617 4.348 ( 7.057 2.506 0.000) 7.489 4.730 ( -3.896 1.465 0.000) 4.162 4.928 ( -5.602 -2.498 0.000) 6.133 5.571 ( 6.209 -13.379 0.000) 14.750 5.666 ( -1.218 -4.617 0.000) 4.775 6.888 ( -1.371 -0.568 0.000) 1.484 7.830 ( 0.902 2.170 0.000) 2.350 9.707 ( -4.521 -0.685 0.000) 4.572 10.685 ( 0.002 -0.643 0.000) 0.643 14.281 ( 0.082 1.421 0.000) 1.423 15.244 ( -0.006 0.114 0.000) 0.114 17.976 ( 0.298 -1.429 0.000) 1.460 18.398 ( 1.804 0.874 0.000) 2.004 18.800 ( -0.022 -0.072 0.000) 0.076 18.997 ( -0.113 -1.787 0.000) 1.791 19.001 ( 0.569 1.423 0.000) 1.532 20.713 ( 4.299 0.475 0.000) 4.325 ======================= Grid point 58 (39/215) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -0.000 17.026 0.000) 17.026 1.410 ( -0.000 19.264 0.000) 19.264 2.086 ( 0.000 -14.968 0.000) 14.968 2.757 ( -0.000 38.360 0.000) 38.360 2.870 ( 0.000 -9.186 0.000) 9.186 3.908 ( -0.000 1.849 0.000) 1.849 4.045 ( 0.000 -0.006 0.000) 0.006 4.444 ( 0.000 -0.234 0.000) 0.234 4.610 ( -0.000 6.199 0.000) 6.199 4.911 ( 0.000 -3.696 0.000) 3.696 5.634 ( -0.000 0.182 0.000) 0.182 5.798 ( 0.000 -20.781 0.000) 20.781 6.880 ( 0.000 -0.716 0.000) 0.716 7.820 ( -0.000 2.788 0.000) 2.788 9.661 ( -0.000 0.214 0.000) 0.214 10.690 ( 0.000 -0.820 0.000) 0.820 14.270 ( -0.000 1.792 0.000) 1.792 15.243 ( -0.000 0.146 0.000) 0.146 17.991 ( 0.000 -1.868 0.000) 1.868 18.409 ( -0.000 1.050 0.000) 1.050 18.800 ( 0.000 -0.094 0.000) 0.094 18.995 ( -0.000 1.838 0.000) 1.838 19.011 ( 0.000 -2.257 0.000) 2.257 20.758 ( 0.000 -0.495 0.000) 0.495 ======================= Grid point 67 (40/215) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.331 0.000 0.000) 0.331 1.774 ( -15.962 -0.000 0.000) 15.962 2.028 ( -10.294 -0.000 0.000) 10.294 2.721 ( -2.264 -0.000 0.000) 2.264 3.495 ( -5.549 -0.000 0.000) 5.549 3.939 ( 5.412 0.000 0.000) 5.412 4.096 ( -7.361 -0.000 0.000) 7.361 4.295 ( 3.529 0.000 0.000) 3.529 4.723 ( 2.752 0.000 0.000) 2.752 5.066 ( -9.145 -0.000 0.000) 9.145 5.232 ( 6.184 0.000 0.000) 6.184 5.686 ( -2.226 -0.000 0.000) 2.226 6.918 ( -2.404 -0.000 0.000) 2.404 7.829 ( 1.700 0.000 0.000) 1.700 9.793 ( -5.838 -0.000 0.000) 5.838 10.678 ( -0.064 -0.000 0.000) 0.064 14.293 ( 0.291 0.000 0.000) 0.291 15.245 ( 0.003 0.000 0.000) 0.003 17.954 ( 0.380 0.000 0.000) 0.380 18.365 ( 2.734 0.000 0.000) 2.734 18.799 ( -0.046 -0.000 0.000) 0.046 18.982 ( -0.385 -0.000 0.000) 0.385 19.001 ( 1.127 0.000 0.000) 1.127 20.628 ( 5.891 0.000 0.000) 5.891 ======================= Grid point 69 (41/215) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -11.181 12.095 0.000) 16.472 1.713 ( -0.035 6.430 0.000) 6.430 1.882 ( -9.834 -11.626 0.000) 15.227 2.710 ( -0.636 -4.027 0.000) 4.077 3.382 ( -2.202 12.816 0.000) 13.004 3.974 ( -3.223 1.852 0.000) 3.717 4.023 ( 1.563 -1.284 0.000) 2.023 4.376 ( 5.466 1.205 0.000) 5.597 4.751 ( 0.143 1.055 0.000) 1.064 4.898 ( -8.082 -1.284 0.000) 8.184 5.376 ( 5.101 -8.793 0.000) 10.166 5.651 ( -1.424 -0.078 0.000) 1.426 6.883 ( -1.393 -0.210 0.000) 1.409 7.852 ( 0.982 0.779 0.000) 1.253 9.701 ( -3.839 -0.160 0.000) 3.843 10.678 ( -0.025 -0.235 0.000) 0.236 14.296 ( 0.136 0.524 0.000) 0.541 15.245 ( -0.001 0.042 0.000) 0.042 17.961 ( 0.240 -0.508 0.000) 0.562 18.407 ( 1.779 0.316 0.000) 1.807 18.799 ( -0.025 -0.026 0.000) 0.036 18.979 ( -0.184 -0.659 0.000) 0.684 19.016 ( 0.627 0.511 0.000) 0.809 20.717 ( 3.559 0.096 0.000) 3.560 ======================= Grid point 70 (42/215) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -0.000 14.785 0.000) 14.785 1.643 ( -0.000 12.271 0.000) 12.271 1.872 ( 0.000 -13.953 0.000) 13.953 2.747 ( 0.000 -7.174 0.000) 7.174 3.224 ( -0.000 24.642 0.000) 24.642 3.930 ( -0.000 1.070 0.000) 1.070 4.045 ( 0.000 -0.003 0.000) 0.003 4.443 ( -0.000 0.057 0.000) 0.057 4.697 ( -0.000 5.755 0.000) 5.755 4.852 ( 0.000 -4.408 0.000) 4.408 5.520 ( 0.000 -16.027 0.000) 16.027 5.637 ( -0.000 0.105 0.000) 0.105 6.872 ( 0.000 -0.419 0.000) 0.419 7.852 ( -0.000 1.566 0.000) 1.566 9.663 ( -0.000 0.124 0.000) 0.124 10.681 ( 0.000 -0.472 0.000) 0.472 14.291 ( -0.000 1.045 0.000) 1.045 15.245 ( -0.000 0.084 0.000) 0.084 17.969 ( 0.000 -1.029 0.000) 1.029 18.421 ( -0.000 0.589 0.000) 0.589 18.799 ( 0.000 -0.053 0.000) 0.053 18.985 ( 0.000 -1.316 0.000) 1.316 19.016 ( -0.000 1.033 0.000) 1.033 20.753 ( 0.000 -0.291 0.000) 0.291 ======================= Grid point 82 (43/215) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.000 0.000 0.000) 0.000 1.737 ( -0.000 0.000 0.000) 0.000 1.742 ( -0.000 0.000 0.000) 0.000 2.689 ( -0.000 0.000 0.000) 0.000 3.413 ( -0.000 0.000 0.000) 0.000 3.937 ( -0.000 0.000 0.000) 0.000 4.045 ( -0.000 0.000 0.000) 0.000 4.444 ( -0.000 0.000 0.000) 0.000 4.764 ( -0.000 0.000 0.000) 0.000 4.795 ( 0.000 -0.000 0.000) 0.000 5.392 ( -0.000 0.000 0.000) 0.000 5.637 ( 0.000 -0.000 0.000) 0.000 6.868 ( -0.000 0.000 0.000) 0.000 7.864 ( -0.000 0.000 0.000) 0.000 9.664 ( -0.000 0.000 0.000) 0.000 10.677 ( -0.000 0.000 0.000) 0.000 14.299 ( -0.000 0.000 0.000) 0.000 15.245 ( -0.000 0.000 0.000) 0.000 17.962 ( -0.000 0.000 0.000) 0.000 18.425 ( -0.000 0.000 0.000) 0.000 18.798 ( 0.000 -0.000 0.000) 0.000 18.975 ( -0.000 0.000 0.000) 0.000 19.023 ( -0.000 0.000 0.000) 0.000 20.750 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/215) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 0.000 0.000 16.920) 16.920 0.551 ( 0.000 0.000 28.972) 28.972 1.518 ( 0.000 0.000 68.394) 68.394 2.673 ( 0.000 0.000 2.484) 2.484 3.636 ( 0.000 0.000 17.066) 17.066 3.652 ( 0.000 0.000 -10.859) 10.859 4.033 ( 0.000 0.000 -1.246) 1.246 4.355 ( 0.000 0.000 -0.130) 0.130 4.468 ( 0.000 0.000 0.593) 0.593 5.108 ( 0.000 0.000 5.528) 5.528 5.321 ( 0.000 0.000 -3.452) 3.452 5.868 ( 0.000 0.000 22.663) 22.663 6.868 ( 0.000 0.000 -4.551) 4.551 7.391 ( 0.000 0.000 -26.469) 26.469 9.574 ( 0.000 0.000 -7.446) 7.446 10.564 ( 0.000 0.000 -16.028) 16.028 14.416 ( 0.000 0.000 21.180) 21.180 15.335 ( 0.000 0.000 9.393) 9.393 18.017 ( 0.000 0.000 -5.635) 5.635 18.323 ( 0.000 0.000 -2.878) 2.878 18.822 ( 0.000 0.000 -7.496) 7.496 19.312 ( 0.000 0.000 16.945) 16.945 19.943 ( 0.000 0.000 -12.010) 12.010 21.462 ( 0.000 0.000 -3.475) 3.475 ======================= Grid point 152 (45/215) ======================= q-point: ( 0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 13.841 3.756 15.886) 21.402 0.769 ( 13.192 -25.367 16.272) 32.898 1.587 ( 5.622 -4.943 64.916) 65.346 2.799 ( 13.836 2.561 0.581) 14.082 3.521 ( -6.292 3.331 23.605) 24.655 3.657 ( 0.277 -0.636 -8.716) 8.743 4.043 ( 1.249 0.268 -2.592) 2.890 4.310 ( -2.715 3.035 -4.601) 6.144 4.738 ( 19.408 2.249 -9.478) 21.715 5.083 ( -2.149 -1.996 4.986) 5.785 5.359 ( -1.191 -9.342 -7.924) 12.308 5.878 ( 1.064 -0.284 22.738) 22.765 6.880 ( 1.378 0.202 -4.466) 4.678 7.393 ( -0.116 -0.873 -26.418) 26.433 9.698 ( 11.045 1.114 -16.731) 20.079 10.562 ( -0.140 0.215 -16.005) 16.007 14.420 ( 0.189 -0.584 21.195) 21.203 15.341 ( -0.062 -1.361 9.384) 9.483 18.009 ( -0.664 0.542 -5.505) 5.571 18.310 ( -1.245 0.027 -2.992) 3.241 18.822 ( -0.125 -0.447 -7.508) 7.522 19.303 ( -0.625 0.778 16.626) 16.656 19.913 ( -0.967 7.659 -7.116) 10.499 20.862 ( -43.790 8.602 37.636) 58.378 ======================= Grid point 153 (46/215) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 12.307 0.525 14.285) 18.863 1.245 ( 16.257 -23.361 12.259) 30.989 1.800 ( 11.156 -10.871 52.898) 55.144 3.098 ( 18.949 4.386 -5.757) 20.284 3.407 ( -3.499 4.002 21.678) 22.320 3.677 ( 1.785 -0.951 -1.314) 2.411 4.076 ( 2.670 0.904 -6.261) 6.867 4.228 ( -2.703 4.363 -2.352) 5.646 4.925 ( 2.447 5.340 -0.119) 5.875 5.141 ( 6.780 -4.537 -5.291) 9.724 5.365 ( -4.553 -6.422 -9.894) 12.644 5.909 ( 1.709 -0.650 22.504) 22.578 6.913 ( 2.264 0.385 -4.243) 4.825 7.398 ( -0.217 -1.504 -26.287) 26.331 9.878 ( 9.093 3.543 -20.919) 23.084 10.556 ( -0.245 0.370 -15.947) 15.953 14.431 ( 0.355 -1.032 21.204) 21.232 15.349 ( -0.260 -1.529 9.676) 9.799 17.986 ( -1.116 0.882 -5.148) 5.341 18.280 ( -1.756 0.232 -3.409) 3.842 18.824 ( -0.210 -0.778 -7.530) 7.573 19.279 ( -1.112 1.387 15.734) 15.834 19.726 ( -10.175 18.472 28.018) 35.067 20.228 ( -20.762 -10.739 17.910) 29.447 ======================= Grid point 154 (47/215) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 10.512 -0.051 11.587) 15.645 1.662 ( 13.154 -15.574 26.827) 33.693 2.151 ( 14.533 -18.559 29.481) 37.746 3.323 ( -1.985 5.110 17.422) 18.264 3.343 ( 7.652 2.222 -15.309) 17.258 3.774 ( 10.544 3.823 8.593) 14.129 4.109 ( 0.843 2.991 -6.583) 7.280 4.183 ( 1.820 1.284 -2.946) 3.693 4.870 ( -3.448 3.245 4.112) 6.271 5.291 ( -0.888 -4.003 -10.923) 11.667 5.304 ( 1.375 -1.489 -2.373) 3.121 5.945 ( 1.713 -0.367 23.174) 23.240 6.955 ( 2.495 0.483 -4.048) 4.779 7.405 ( -0.288 -1.698 -26.124) 26.181 9.980 ( 5.206 4.114 -16.856) 18.115 10.548 ( -0.284 0.424 -15.875) 15.883 14.447 ( 0.436 -1.216 21.209) 21.249 15.353 ( -0.331 -1.118 10.015) 10.082 17.957 ( -1.237 0.931 -4.658) 4.908 18.243 ( -1.826 0.642 -3.993) 4.438 18.826 ( -0.239 -0.901 -7.542) 7.599 19.244 ( -1.335 1.675 14.476) 14.633 19.405 ( -10.251 10.238 40.092) 42.630 20.091 ( -6.268 -9.169 -7.100) 13.182 ======================= Grid point 155 (48/215) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 7.530 0.411 10.174) 12.664 1.966 ( 10.211 -9.230 41.702) 43.915 2.565 ( 13.035 -21.753 9.691) 27.148 3.259 ( -0.666 5.665 11.293) 12.652 3.367 ( -2.747 -1.081 -12.938) 13.270 3.957 ( 11.245 8.624 3.950) 14.711 4.084 ( 0.993 4.016 -0.056) 4.138 4.257 ( 4.954 -0.257 -6.600) 8.256 4.763 ( -5.058 4.484 4.731) 8.251 5.229 ( -2.660 -2.069 -5.076) 6.092 5.399 ( 2.564 -2.932 -3.108) 4.983 5.976 ( 1.416 -0.078 24.583) 24.624 6.995 ( 2.074 0.454 -3.962) 4.495 7.411 ( -0.286 -1.431 -26.005) 26.046 10.024 ( 2.692 3.207 -12.346) 13.037 10.540 ( -0.246 0.363 -15.801) 15.808 14.463 ( 0.397 -1.072 21.230) 21.261 15.353 ( -0.262 -0.669 10.145) 10.171 17.929 ( -1.031 0.735 -4.153) 4.342 18.205 ( -1.602 0.833 -4.609) 4.950 18.828 ( -0.208 -0.782 -7.534) 7.577 19.206 ( -2.803 2.623 20.590) 20.945 19.214 ( -3.870 3.221 25.030) 25.531 20.064 ( -2.894 -5.690 -11.343) 13.016 ======================= Grid point 156 (49/215) ======================= q-point: ( 0.42 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 3.851 0.533 9.771) 10.516 2.172 ( 6.198 -4.731 50.596) 51.194 2.909 ( 7.882 -16.925 -0.859) 18.690 3.221 ( 1.075 5.564 3.728) 6.783 3.303 ( -4.529 -2.098 -8.566) 9.914 3.984 ( -0.361 6.130 -3.422) 7.029 4.164 ( 9.240 4.114 4.158) 10.936 4.330 ( 1.835 -0.325 -5.666) 5.965 4.621 ( -6.111 4.646 5.361) 9.363 5.237 ( 1.581 -1.430 -3.557) 4.147 5.440 ( -0.110 -2.443 -1.011) 2.646 5.998 ( 0.822 0.001 25.761) 25.774 7.023 ( 1.160 0.281 -3.959) 4.135 7.415 ( -0.182 -0.810 -25.959) 25.972 10.041 ( 1.147 1.690 -9.593) 9.808 10.534 ( -0.141 0.208 -15.741) 15.743 14.476 ( 0.237 -0.627 21.258) 21.269 15.353 ( -0.136 -0.305 10.147) 10.153 17.910 ( -0.580 0.396 -3.768) 3.833 18.176 ( -0.949 0.556 -5.167) 5.283 18.829 ( -0.122 -0.453 -7.513) 7.528 19.121 ( -2.253 1.551 26.979) 27.117 19.182 ( -0.718 0.903 12.145) 12.200 20.057 ( -1.256 -2.811 -12.369) 12.746 ======================= Grid point 157 (50/215) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 334 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.000 -0.000 9.753) 9.753 2.250 ( 0.000 -0.000 54.237) 54.237 3.054 ( 0.000 0.000 -4.233) 4.233 3.217 ( -0.000 -0.000 -3.476) 3.476 3.258 ( 0.000 0.000 -4.054) 4.054 3.947 ( 0.000 -0.000 -3.113) 3.113 4.296 ( 0.002 0.000 5.765) 5.765 4.306 ( -0.001 -0.000 -6.772) 6.772 4.527 ( -0.000 -0.000 4.865) 4.865 5.266 ( 0.000 -0.000 -3.684) 3.684 5.444 ( 0.000 -0.000 0.284) 0.284 6.006 ( 0.000 -0.000 26.201) 26.201 7.033 ( 0.000 -0.000 -3.970) 3.970 7.416 ( 0.000 -0.000 -25.953) 25.953 10.045 ( 0.000 0.000 -8.711) 8.711 10.532 ( 0.000 -0.000 -15.717) 15.717 14.480 ( 0.000 -0.000 21.271) 21.271 15.353 ( 0.000 -0.000 10.134) 10.134 17.903 ( 0.000 -0.000 -3.623) 3.623 18.165 ( 0.000 -0.000 -5.403) 5.403 18.830 ( 0.000 -0.000 -7.502) 7.502 19.095 ( 0.000 0.000 25.233) 25.233 19.172 ( 0.000 -0.000 11.743) 11.743 20.056 ( 0.000 -0.000 -12.587) 12.587 ======================= Grid point 165 (51/215) ======================= q-point: ( 0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 12.832 0.000 17.812) 21.953 1.005 ( 21.246 0.000 7.209) 22.435 1.724 ( 10.826 0.000 58.284) 59.281 3.129 ( 18.273 0.000 -6.851) 19.515 3.437 ( -3.760 -0.000 22.786) 23.095 3.669 ( 2.374 0.000 -1.116) 2.623 4.082 ( 2.811 0.000 -6.049) 6.671 4.270 ( -3.131 -0.000 -5.375) 6.221 4.993 ( -4.979 -0.000 6.883) 8.495 5.071 ( 13.100 0.000 -17.121) 21.558 5.314 ( -1.285 -0.000 -3.208) 3.456 5.904 ( 1.768 0.000 23.493) 23.560 6.916 ( 2.254 0.000 -4.231) 4.794 7.387 ( -0.123 -0.000 -26.276) 26.276 9.906 ( 9.267 0.000 -23.829) 25.567 10.559 ( -0.269 -0.000 -15.964) 15.966 14.424 ( 0.409 0.000 21.085) 21.089 15.336 ( 0.053 0.000 9.341) 9.341 17.993 ( -1.191 -0.000 -5.296) 5.428 18.282 ( -1.671 -0.000 -3.164) 3.578 18.818 ( -0.163 -0.000 -7.429) 7.430 19.289 ( -1.180 -0.000 15.960) 16.003 19.936 ( -0.172 -0.000 -11.856) 11.857 20.080 ( -35.844 -0.000 61.597) 71.267 ======================= Grid point 166 (52/215) ======================= q-point: ( 0.17 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 14.340 7.818 11.958) 20.243 1.429 ( 17.252 -13.811 13.441) 25.866 1.975 ( 13.403 -5.833 45.485) 47.776 3.354 ( 3.829 0.294 -16.372) 16.817 3.377 ( -1.792 1.781 18.107) 18.282 3.816 ( 14.380 1.548 9.433) 17.267 4.141 ( 3.455 1.115 -9.762) 10.415 4.209 ( -1.698 1.762 -2.552) 3.536 4.899 ( -4.260 0.743 7.233) 8.428 5.248 ( 4.262 -1.382 -13.155) 13.897 5.278 ( -1.880 -1.494 -2.644) 3.572 5.941 ( 1.996 -0.202 24.094) 24.178 6.960 ( 2.446 0.176 -4.002) 4.693 7.388 ( -0.034 -0.634 -26.096) 26.104 10.026 ( 4.584 1.801 -19.865) 20.466 10.552 ( -0.354 0.150 -15.905) 15.909 14.435 ( 0.599 -0.443 21.016) 21.029 15.340 ( 0.038 -0.537 9.410) 9.425 17.967 ( -1.411 0.352 -4.884) 5.096 18.250 ( -1.679 0.231 -3.686) 4.057 18.817 ( -0.110 -0.327 -7.396) 7.404 19.261 ( -1.535 0.603 14.843) 14.935 19.545 ( -17.532 7.287 48.334) 51.929 19.963 ( -1.596 -6.762 -9.559) 11.817 ======================= Grid point 167 (53/215) ======================= q-point: ( 0.25 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 12.540 10.862 9.094) 18.919 1.814 ( 13.607 -12.236 28.206) 33.622 2.290 ( 12.345 -14.103 26.049) 32.091 3.320 ( -1.916 2.464 3.997) 5.072 3.351 ( -3.017 -0.549 -4.408) 5.370 4.053 ( 9.541 4.274 1.724) 10.596 4.151 ( 2.047 4.804 -0.240) 5.228 4.250 ( 5.195 -0.816 -6.936) 8.704 4.826 ( -2.233 3.585 6.959) 8.140 5.200 ( -3.467 -1.122 -3.023) 4.735 5.347 ( 1.643 -3.952 -7.435) 8.579 5.976 ( 1.653 0.025 24.951) 25.006 7.000 ( 1.966 0.258 -3.891) 4.367 7.394 ( 0.129 -0.854 -25.960) 25.974 10.066 ( 1.674 2.235 -14.208) 14.479 10.544 ( -0.365 0.191 -15.844) 15.850 14.451 ( 0.692 -0.615 21.028) 21.048 15.344 ( 0.025 -0.529 9.609) 9.623 17.938 ( -1.277 0.438 -4.376) 4.580 18.216 ( -1.630 0.562 -4.251) 4.587 18.819 ( 0.016 -0.446 -7.404) 7.418 19.226 ( -1.605 0.879 13.608) 13.731 19.272 ( -8.580 3.663 36.401) 37.577 19.986 ( -0.344 -4.558 -11.308) 12.197 ======================= Grid point 168 (54/215) ======================= q-point: ( 0.33 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 8.951 12.851 8.225) 17.690 2.099 ( 9.688 -6.008 44.714) 46.144 2.618 ( 8.780 -20.647 7.142) 23.546 3.254 ( -5.007 -1.923 -7.902) 9.550 3.308 ( 0.274 3.621 5.082) 6.246 4.074 ( -0.485 5.485 -5.185) 7.564 4.216 ( 6.236 2.561 1.970) 7.024 4.326 ( 1.139 -0.237 -4.540) 4.687 4.728 ( -3.850 9.600 5.816) 11.866 5.202 ( 1.986 -2.990 -0.888) 3.697 5.385 ( -0.627 -4.956 -4.435) 6.680 6.000 ( 0.972 0.242 25.878) 25.897 7.026 ( 0.984 0.205 -3.897) 4.025 7.405 ( 0.355 -0.630 -25.916) 25.926 10.066 ( 0.044 1.599 -10.430) 10.552 10.537 ( -0.301 0.118 -15.789) 15.792 14.468 ( 0.655 -0.456 21.125) 21.140 15.348 ( 0.071 -0.342 9.828) 9.835 17.915 ( -0.862 0.296 -3.909) 4.014 18.184 ( -1.206 0.581 -4.884) 5.064 18.823 ( 0.184 -0.325 -7.443) 7.453 19.143 ( -3.738 1.498 28.627) 28.908 19.193 ( -1.306 0.648 12.421) 12.506 20.017 ( 0.795 -2.625 -12.079) 12.386 ======================= Grid point 169 (55/215) ======================= q-point: ( 0.42 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 4.847 13.445 8.446) 16.602 2.251 ( 3.954 -0.093 53.657) 53.802 2.886 ( 3.760 -19.075 -3.437) 19.743 3.183 ( -4.629 -4.461 -3.196) 7.180 3.310 ( 3.260 5.180 -2.093) 6.468 4.007 ( -1.555 6.274 -5.505) 8.490 4.280 ( -6.625 -1.150 0.134) 6.725 4.318 ( 4.898 0.838 -1.173) 5.105 4.584 ( -2.658 7.426 4.814) 9.240 5.252 ( -0.037 -1.770 -2.992) 3.476 5.419 ( 1.262 -3.434 0.021) 3.659 6.008 ( 0.118 0.308 26.196) 26.198 7.033 ( -0.223 0.004 -3.971) 3.977 7.416 ( 0.605 -0.045 -25.937) 25.944 10.048 ( -1.105 0.376 -8.784) 8.861 10.532 ( -0.179 -0.044 -15.752) 15.753 14.480 ( 0.491 0.002 21.272) 21.278 15.352 ( 0.168 -0.116 10.067) 10.069 17.903 ( -0.300 0.000 -3.623) 3.635 18.166 ( -0.347 0.225 -5.430) 5.446 18.830 ( 0.356 0.007 -7.503) 7.511 19.096 ( -0.972 0.125 25.304) 25.323 19.172 ( -0.711 0.000 11.743) 11.765 20.053 ( 1.932 -0.382 -12.512) 12.666 ======================= Grid point 170 (56/215) ======================= q-point: (-0.50 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.953 12.953 8.914) 15.753 2.244 ( -2.545 5.174 52.543) 52.858 2.997 ( -2.852 -7.017 -3.182) 8.216 3.149 ( -2.910 -4.850 3.106) 6.453 3.346 ( 4.260 4.991 -9.884) 11.864 3.946 ( -1.824 2.239 -4.572) 5.407 4.114 ( -10.404 -2.602 5.640) 12.117 4.339 ( -1.998 1.307 -4.344) 4.957 4.589 ( 5.094 -0.318 4.271) 6.656 5.235 ( -1.950 -1.688 -4.848) 5.491 5.456 ( 0.636 -0.047 1.734) 1.848 6.000 ( -0.708 0.306 25.599) 25.611 7.019 ( -1.370 -0.281 -4.039) 4.275 7.427 ( 0.795 0.753 -25.977) 26.000 10.020 ( -2.262 -1.168 -8.882) 9.239 10.531 ( -0.036 -0.252 -15.751) 15.753 14.485 ( 0.250 0.632 21.415) 21.426 15.356 ( 0.311 0.135 10.355) 10.360 17.904 ( 0.266 -0.388 -3.608) 3.638 18.170 ( 0.646 -0.300 -5.605) 5.650 18.836 ( 0.483 0.468 -7.586) 7.616 19.101 ( 1.046 -1.159 25.520) 25.568 19.168 ( 0.011 -0.924 11.811) 11.847 20.094 ( 3.119 2.118 -12.652) 13.202 ======================= Grid point 171 (57/215) ======================= q-point: (-0.42 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -2.710 12.214 9.394) 15.646 2.098 ( -6.964 9.322 46.234) 47.676 2.844 ( -10.541 13.449 2.360) 17.250 3.163 ( -0.248 -7.311 10.755) 13.007 3.376 ( 0.218 0.990 -14.708) 14.743 3.841 ( -10.453 -5.827 5.966) 13.372 4.038 ( 0.015 -2.280 -0.745) 2.399 4.262 ( -4.952 0.568 -5.461) 7.394 4.709 ( 5.450 -2.992 3.483) 7.127 5.238 ( 1.775 -1.172 -6.516) 6.854 5.430 ( -2.901 1.433 0.996) 3.385 5.979 ( -1.308 0.265 24.308) 24.345 6.987 ( -2.224 -0.532 -4.076) 4.674 7.434 ( 0.843 1.582 -26.045) 26.107 9.980 ( -3.728 -2.823 -10.446) 11.445 10.534 ( 0.094 -0.454 -15.785) 15.792 14.481 ( 0.012 1.249 21.513) 21.549 15.362 ( 0.496 0.450 10.677) 10.698 17.918 ( 0.715 -0.817 -3.864) 4.013 18.194 ( 1.477 -0.756 -5.344) 5.595 18.840 ( 0.523 0.930 -7.681) 7.755 19.154 ( 3.122 -3.251 28.719) 29.071 19.185 ( 0.661 -1.835 12.744) 12.892 20.140 ( 4.646 4.638 -12.154) 13.813 ======================= Grid point 172 (58/215) ======================= q-point: (-0.33 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -6.061 11.603 10.110) 16.541 1.866 ( -8.984 13.280 38.247) 41.472 2.472 ( -13.625 23.432 13.215) 30.156 3.226 ( -0.354 -8.165 16.612) 18.514 3.284 ( -11.773 -5.804 -11.552) 17.485 3.727 ( -3.934 -1.919 5.290) 6.866 4.069 ( 0.323 -2.327 -5.793) 6.252 4.174 ( -3.112 0.095 -2.166) 3.792 4.815 ( 3.009 -3.918 2.070) 5.356 5.312 ( 0.395 -0.610 -3.240) 3.321 5.342 ( -0.442 2.377 -6.666) 7.091 5.950 ( -1.560 0.240 22.612) 22.667 6.946 ( -2.577 -0.666 -4.137) 4.919 7.435 ( 0.726 2.244 -26.168) 26.274 9.918 ( -5.775 -4.155 -13.145) 14.946 10.541 ( 0.174 -0.599 -15.841) 15.853 14.468 ( -0.152 1.677 21.551) 21.617 15.368 ( 0.680 0.902 10.898) 10.957 17.941 ( 0.956 -1.209 -4.298) 4.566 18.232 ( 1.931 -0.887 -4.814) 5.262 18.842 ( 0.468 1.259 -7.753) 7.869 19.215 ( 0.980 -2.368 13.852) 14.087 19.274 ( 5.698 -7.571 34.527) 35.804 20.207 ( 7.414 6.755 -9.620) 13.898 ======================= Grid point 173 (59/215) ======================= q-point: (-0.25 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -8.556 10.928 11.160) 17.809 1.571 ( -9.940 20.351 25.096) 33.805 2.053 ( -11.650 23.858 33.584) 42.812 3.001 ( -20.077 -8.863 -3.079) 22.161 3.325 ( 2.621 -7.196 20.557) 21.937 3.695 ( -0.553 1.631 -3.282) 3.707 4.057 ( -2.341 -1.749 -6.909) 7.502 4.183 ( 3.008 -1.126 1.205) 3.431 4.856 ( -2.982 -4.239 -1.013) 5.281 5.179 ( -7.237 1.285 1.596) 7.522 5.453 ( 8.098 4.177 -15.868) 18.298 5.918 ( -1.579 0.467 20.980) 21.045 6.905 ( -2.289 -0.666 -4.277) 4.897 7.428 ( 0.488 2.556 -26.329) 26.458 9.818 ( -8.381 -4.239 -15.466) 18.094 10.549 ( 0.183 -0.648 -15.905) 15.919 14.452 ( -0.201 1.806 21.532) 21.609 15.373 ( 0.736 1.556 10.722) 10.859 17.969 ( 0.922 -1.448 -4.783) 5.082 18.274 ( 1.903 -0.629 -4.225) 4.676 18.840 ( 0.339 1.367 -7.770) 7.897 19.251 ( 0.922 -2.472 15.086) 15.315 19.480 ( 7.360 -14.769 36.409) 39.974 20.348 ( 14.024 6.010 -0.149) 15.258 ======================= Grid point 174 (60/215) ======================= q-point: (-0.17 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -8.628 10.449 12.272) 18.282 1.204 ( -8.640 31.324 13.959) 35.365 1.739 ( -5.830 16.833 55.930) 58.699 2.726 ( -14.129 -7.472 1.349) 16.040 3.437 ( 3.621 -7.788 24.025) 25.514 3.672 ( -0.635 1.423 -9.150) 9.282 4.035 ( -0.934 -0.813 -2.947) 3.197 4.271 ( 5.404 -1.006 0.174) 5.500 4.709 ( -14.796 -1.386 -4.024) 15.396 5.097 ( -1.091 -0.232 4.947) 5.071 5.535 ( 5.613 10.911 -22.519) 25.645 5.886 ( -1.360 0.615 21.368) 21.421 6.875 ( -1.372 -0.553 -4.456) 4.695 7.417 ( 0.215 2.391 -26.457) 26.565 9.673 ( -9.012 -2.010 -13.090) 16.019 10.556 ( 0.118 -0.587 -15.966) 15.977 14.436 ( -0.139 1.613 21.454) 21.515 15.371 ( 0.467 2.306 9.983) 10.257 17.994 ( 0.585 -1.418 -5.205) 5.427 18.308 ( 1.280 -0.292 -3.693) 3.919 18.835 ( 0.171 1.232 -7.720) 7.819 19.282 ( 0.562 -2.167 16.142) 16.296 19.716 ( 3.831 -17.579 19.652) 26.644 20.708 ( 23.957 -9.574 18.083) 31.505 ======================= Grid point 175 (61/215) ======================= q-point: (-0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -0.000 10.561 13.729) 17.321 0.865 ( -0.000 34.279 17.276) 38.386 1.589 ( -0.000 10.185 65.022) 65.815 2.634 ( 0.000 -5.338 2.872) 6.062 3.552 ( 0.000 -9.514 22.636) 24.554 3.658 ( -0.000 0.746 -11.187) 11.212 4.031 ( 0.000 -0.289 -1.422) 1.451 4.379 ( -0.000 3.092 -0.117) 3.095 4.463 ( 0.000 -0.441 0.593) 0.739 5.100 ( 0.000 -1.067 5.534) 5.636 5.483 ( -0.000 16.671 -20.649) 26.539 5.869 ( -0.000 0.168 22.668) 22.668 6.865 ( 0.000 -0.382 -4.541) 4.557 7.403 ( -0.000 1.756 -26.481) 26.539 9.575 ( -0.000 0.114 -7.452) 7.453 10.561 ( 0.000 -0.429 -16.006) 16.011 14.425 ( -0.000 1.164 21.325) 21.357 15.357 ( -0.000 2.494 9.377) 9.703 18.009 ( 0.000 -1.082 -5.468) 5.574 18.322 ( 0.000 -0.098 -3.262) 3.264 18.829 ( -0.000 0.896 -7.618) 7.671 19.301 ( 0.000 -1.554 16.694) 16.766 19.854 ( 0.000 -12.133 0.957) 12.170 21.181 ( 0.000 -29.641 12.360) 32.115 ======================= Grid point 178 (62/215) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 15.065 0.000 8.521) 17.308 1.676 ( 14.804 0.000 17.529) 22.944 2.189 ( 11.405 0.000 37.671) 39.360 3.330 ( -4.446 -0.000 -13.774) 14.474 3.355 ( -0.897 -0.000 13.685) 13.715 4.083 ( 8.734 0.000 0.950) 8.786 4.196 ( 0.385 0.000 0.165) 0.419 4.238 ( 6.808 0.000 -7.873) 10.408 4.853 ( 0.051 0.000 8.558) 8.558 5.198 ( -4.312 -0.000 -1.007) 4.428 5.309 ( 1.255 0.000 -10.656) 10.729 5.976 ( 1.785 0.000 25.114) 25.177 7.002 ( 1.926 0.000 -3.869) 4.322 7.388 ( 0.283 0.000 -25.940) 25.941 10.083 ( 1.230 0.000 -15.009) 15.059 10.546 ( -0.411 -0.000 -15.868) 15.873 14.446 ( 0.800 0.000 20.955) 20.970 15.340 ( 0.162 0.000 9.382) 9.383 17.941 ( -1.371 -0.000 -4.461) 4.667 18.220 ( -1.625 -0.000 -4.168) 4.473 18.815 ( 0.098 0.000 -7.353) 7.353 19.232 ( -1.729 -0.000 13.684) 13.793 19.301 ( -10.391 -0.000 38.592) 39.967 19.950 ( 1.207 0.000 -11.758) 11.820 ======================= Grid point 179 (63/215) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 12.991 14.859 6.409) 20.752 1.973 ( 11.935 -10.858 26.920) 31.385 2.391 ( 7.257 -8.390 27.014) 29.203 3.229 ( -6.353 -1.041 -9.923) 11.828 3.348 ( 0.929 1.536 7.558) 7.768 4.132 ( -0.333 2.310 -8.104) 8.433 4.235 ( 4.063 0.287 2.312) 4.683 4.323 ( 0.469 -0.116 -3.294) 3.329 4.858 ( -0.919 6.274 6.716) 9.237 5.166 ( 2.607 -1.511 1.291) 3.278 5.313 ( -1.950 -3.851 -7.712) 8.838 6.003 ( 1.078 0.150 25.860) 25.883 7.028 ( 0.885 0.074 -3.867) 3.968 7.398 ( 0.668 -0.239 -25.880) 25.890 10.083 ( -0.666 0.668 -11.014) 11.054 10.538 ( -0.393 0.034 -15.843) 15.848 14.463 ( 0.895 -0.166 21.050) 21.070 15.344 ( 0.221 -0.153 9.584) 9.588 17.918 ( -1.030 0.109 -3.992) 4.124 18.191 ( -1.354 0.251 -4.775) 4.969 18.820 ( 0.359 -0.118 -7.399) 7.409 19.160 ( -4.897 0.655 29.834) 30.240 19.200 ( -1.630 0.233 12.555) 12.662 19.988 ( 2.278 -1.111 -11.940) 12.206 ======================= Grid point 180 (64/215) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 8.515 20.923 6.088) 23.396 2.226 ( 7.831 -5.064 45.306) 46.255 2.590 ( 3.691 -18.731 8.065) 20.725 3.123 ( -6.265 -3.206 -5.678) 9.042 3.372 ( 3.473 3.099 0.639) 4.699 4.082 ( -2.232 3.506 -8.145) 9.144 4.268 ( -6.323 -0.531 -3.822) 7.407 4.328 ( 5.541 0.497 2.525) 6.109 4.712 ( -6.374 8.732 4.572) 11.738 5.229 ( -0.797 -0.828 -2.988) 3.201 5.350 ( 3.649 -5.594 0.672) 6.713 6.013 ( 0.178 0.326 26.124) 26.126 7.033 ( -0.385 0.004 -3.973) 3.991 7.415 ( 1.049 -0.045 -25.905) 25.926 10.054 ( -1.930 0.378 -8.928) 9.142 10.531 ( -0.307 -0.045 -15.823) 15.826 14.480 ( 0.850 0.002 21.275) 21.292 15.350 ( 0.297 -0.116 9.932) 9.937 17.903 ( -0.520 0.000 -3.622) 3.659 18.170 ( -0.610 0.225 -5.486) 5.524 18.830 ( 0.618 0.007 -7.505) 7.531 19.098 ( -1.719 0.128 25.449) 25.507 19.172 ( -1.232 0.000 11.743) 11.808 20.047 ( 3.393 -0.386 -12.362) 12.825 ======================= Grid point 181 (65/215) ======================= q-point: (-0.58 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 3.953 21.940 6.479) 23.216 2.314 ( 1.378 4.000 54.104) 54.269 2.777 ( 0.038 -20.791 -3.464) 21.078 3.057 ( -4.492 -6.621 1.162) 8.085 3.427 ( 5.221 5.038 -6.323) 9.624 4.016 ( -1.984 4.730 -11.086) 12.215 4.093 ( -11.834 -0.060 3.477) 12.334 4.378 ( -0.387 4.274 0.985) 4.403 4.598 ( 0.575 1.167 3.337) 3.582 5.195 ( -3.135 -3.515 -5.099) 6.942 5.442 ( 2.125 -1.651 3.816) 4.669 6.006 ( -0.666 0.410 25.498) 25.509 7.015 ( -1.557 -0.204 -4.114) 4.404 7.436 ( 1.321 0.518 -25.967) 26.006 10.008 ( -3.129 -0.548 -8.463) 9.040 10.528 ( -0.180 -0.209 -15.809) 15.811 14.493 ( 0.674 0.465 21.554) 21.570 15.357 ( 0.422 0.001 10.400) 10.409 17.899 ( 0.003 -0.279 -3.471) 3.482 18.167 ( 0.369 -0.068 -6.056) 6.067 18.842 ( 0.807 0.354 -7.642) 7.693 19.088 ( 0.271 -0.669 24.520) 24.531 19.156 ( -0.628 -0.690 11.516) 11.554 20.117 ( 4.473 1.193 -12.797) 13.608 ======================= Grid point 182 (66/215) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -0.268 20.875 6.993) 22.017 2.236 ( -3.803 9.647 48.711) 49.803 2.852 ( -5.666 -11.948 -1.584) 13.318 3.049 ( -2.275 -8.694 8.833) 12.601 3.450 ( 0.148 8.990 -12.940) 15.757 3.814 ( -11.068 1.717 4.543) 12.087 4.017 ( 0.231 -0.767 -4.120) 4.197 4.285 ( -4.814 3.253 -2.033) 6.155 4.673 ( 4.605 -2.284 2.885) 5.894 5.194 ( 0.368 -4.746 -6.441) 8.009 5.441 ( -2.673 0.145 4.060) 4.863 5.984 ( -1.326 0.400 24.224) 24.264 6.980 ( -2.376 -0.466 -4.205) 4.853 7.455 ( 1.390 1.314 -26.064) 26.135 9.946 ( -4.482 -1.808 -9.129) 10.330 10.528 ( -0.046 -0.414 -15.809) 15.814 14.498 ( 0.426 1.091 21.803) 21.834 15.366 ( 0.603 0.163 10.981) 10.999 17.907 ( 0.420 -0.682 -3.587) 3.676 18.185 ( 1.264 -0.492 -6.284) 6.429 18.853 ( 0.857 0.844 -7.793) 7.886 19.117 ( 1.848 -1.966 26.319) 26.457 19.159 ( 0.016 -1.640 11.962) 12.074 20.195 ( 5.589 2.990 -12.953) 14.421 ======================= Grid point 183 (67/215) ======================= q-point: (-0.42 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -4.330 18.900 7.528) 20.799 2.057 ( -5.981 13.357 42.041) 44.516 2.722 ( -10.271 5.673 3.906) 12.367 3.095 ( -1.245 -9.735 15.673) 18.492 3.235 ( -14.993 3.711 -6.207) 16.646 3.725 ( 0.562 1.277 1.175) 1.824 4.037 ( -0.279 -2.319 -8.776) 9.081 4.190 ( -2.256 2.304 0.650) 3.290 4.764 ( 2.674 -3.161 1.373) 4.362 5.278 ( 3.173 -4.358 -6.067) 8.116 5.358 ( -4.245 0.133 0.165) 4.250 5.953 ( -1.659 0.234 22.836) 22.897 6.936 ( -2.667 -0.673 -4.255) 5.066 7.467 ( 1.224 2.164 -26.209) 26.327 9.866 ( -5.989 -2.929 -10.437) 12.385 10.532 ( 0.059 -0.612 -15.824) 15.836 14.493 ( 0.183 1.697 21.957) 22.024 15.377 ( 0.809 0.389 11.587) 11.622 17.924 ( 0.659 -1.148 -3.918) 4.136 18.219 ( 1.848 -0.879 -6.132) 6.464 18.861 ( 0.748 1.324 -7.929) 8.073 19.179 ( 0.648 -2.524 13.741) 13.986 19.188 ( 3.175 -4.464 29.491) 29.996 20.286 ( 7.128 4.191 -12.187) 14.727 ======================= Grid point 184 (68/215) ======================= q-point: (-0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -7.424 16.632 8.066) 19.920 1.835 ( -5.864 17.003 35.842) 40.102 2.426 ( -9.149 23.270 14.615) 28.962 2.868 ( -20.577 -6.602 0.676) 21.621 3.202 ( 1.448 -9.724 19.522) 21.858 3.728 ( 0.364 2.838 -5.885) 6.544 4.025 ( -2.017 -2.609 -7.993) 8.647 4.194 ( 3.972 2.269 2.668) 5.296 4.802 ( -1.883 -3.277 -0.966) 3.901 5.188 ( -7.991 0.104 4.622) 9.232 5.464 ( 8.256 -2.814 -15.635) 17.903 5.921 ( -1.618 0.034 21.305) 21.367 6.894 ( -2.321 -0.771 -4.330) 4.973 7.469 ( 0.863 2.859 -26.391) 26.559 9.764 ( -7.302 -3.084 -11.388) 13.875 10.538 ( 0.105 -0.753 -15.856) 15.874 14.481 ( 0.015 2.113 21.991) 22.092 15.390 ( 0.914 0.747 11.934) 11.992 17.947 ( 0.681 -1.571 -4.347) 4.672 18.262 ( 1.912 -1.028 -5.691) 6.090 18.862 ( 0.524 1.646 -8.009) 8.193 19.210 ( 0.638 -3.009 14.110) 14.441 19.308 ( 4.369 -9.048 34.681) 36.108 20.411 ( 9.613 3.108 -8.981) 13.517 ======================= Grid point 185 (69/215) ======================= q-point: (-0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -7.033 15.112 8.679) 18.792 1.599 ( -4.118 22.811 27.178) 35.720 2.088 ( -5.277 30.281 31.395) 43.937 2.591 ( -14.497 -10.568 2.929) 18.177 3.306 ( 1.816 -10.155 23.451) 25.620 3.697 ( -1.110 2.102 -10.552) 10.817 4.020 ( -0.255 -1.276 -3.604) 3.831 4.285 ( 7.554 2.398 1.676) 8.101 4.697 ( -11.102 -0.241 -2.289) 11.338 5.083 ( -2.929 -1.454 5.673) 6.548 5.620 ( 6.754 0.685 -23.609) 24.566 5.892 ( -1.456 0.198 20.509) 20.562 6.865 ( -1.365 -0.758 -4.443) 4.710 7.458 ( 0.408 3.199 -26.552) 26.747 9.647 ( -6.622 -1.474 -10.040) 12.117 10.546 ( 0.082 -0.800 -15.902) 15.922 14.465 ( -0.046 2.237 21.901) 22.015 15.398 ( 0.673 1.324 11.592) 11.687 17.970 ( 0.457 -1.816 -4.757) 5.113 18.300 ( 1.279 -0.881 -5.089) 5.320 18.857 ( 0.253 1.732 -8.004) 8.193 19.243 ( 0.443 -3.095 15.225) 15.543 19.471 ( 3.444 -14.707 34.181) 37.370 20.611 ( 11.262 -4.318 -1.628) 12.171 ======================= Grid point 186 (70/215) ======================= q-point: (-0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -0.000 14.641 9.770) 17.601 1.360 ( -0.000 30.721 17.711) 35.461 1.834 ( -0.000 24.715 49.003) 54.883 2.524 ( 0.000 -9.700 3.850) 10.436 3.403 ( 0.000 -10.643 25.114) 27.276 3.673 ( -0.000 1.377 -11.937) 12.016 4.025 ( 0.000 -0.537 -1.967) 2.039 4.440 ( -0.000 5.242 -0.120) 5.243 4.458 ( 0.000 -0.236 0.531) 0.581 5.077 ( 0.000 -2.085 5.563) 5.941 5.665 ( -0.000 6.718 -30.965) 31.686 5.872 ( -0.000 0.294 22.681) 22.682 6.857 ( 0.000 -0.669 -4.514) 4.564 7.439 ( -0.000 3.037 -26.581) 26.754 9.577 ( -0.000 0.198 -7.468) 7.471 10.552 ( 0.000 -0.741 -15.947) 15.964 14.448 ( -0.000 2.049 21.707) 21.803 15.392 ( -0.000 2.057 10.637) 10.834 17.988 ( 0.000 -1.769 -5.064) 5.364 18.318 ( 0.000 -0.572 -4.385) 4.423 18.847 ( -0.000 1.579 -7.899) 8.055 19.269 ( 0.000 -2.781 15.963) 16.203 19.624 ( 0.000 -17.478 26.067) 31.384 20.828 ( 0.000 -16.934 6.552) 18.158 ======================= Grid point 191 (71/215) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 12.147 0.000 4.273) 12.877 2.101 ( 7.593 0.000 24.145) 25.310 2.450 ( 2.711 0.000 31.643) 31.759 3.099 ( -6.907 -0.000 -6.952) 9.800 3.395 ( 3.529 0.000 1.617) 3.882 4.106 ( -2.877 -0.000 -8.753) 9.214 4.264 ( -6.017 -0.000 -6.192) 8.634 4.332 ( 6.241 0.000 4.416) 7.645 4.785 ( -8.320 -0.000 4.824) 9.617 5.231 ( -4.538 -0.000 -6.947) 8.298 5.292 ( 8.559 0.000 4.582) 9.708 6.016 ( 0.191 0.000 26.063) 26.064 7.033 ( -0.443 -0.000 -3.974) 3.999 7.415 ( 1.212 0.000 -25.889) 25.917 10.058 ( -2.238 -0.000 -9.000) 9.274 10.531 ( -0.353 -0.000 -15.859) 15.863 14.480 ( 0.981 0.000 21.276) 21.298 15.349 ( 0.347 0.000 9.865) 9.871 17.903 ( -0.600 -0.000 -3.621) 3.671 18.172 ( -0.709 -0.000 -5.515) 5.560 18.830 ( 0.714 0.000 -7.506) 7.540 19.099 ( -2.006 -0.000 25.522) 25.601 19.172 ( -1.423 -0.000 11.743) 11.829 20.044 ( 3.945 0.000 -12.287) 12.905 ======================= Grid point 192 (72/215) ======================= q-point: (-0.67 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 5.963 24.544 4.875) 25.724 2.296 ( 5.260 -12.259 32.844) 35.450 2.501 ( -0.844 -10.366 22.249) 24.559 2.984 ( -6.146 -2.850 -3.251) 7.514 3.478 ( 5.900 1.802 -3.636) 7.161 4.046 ( -3.071 0.372 -4.361) 5.347 4.107 ( -10.528 0.982 -10.767) 15.091 4.444 ( 5.318 3.364 4.797) 7.912 4.614 ( -7.320 0.726 3.623) 8.200 5.150 ( -4.425 -2.046 -5.774) 7.557 5.420 ( 3.784 -1.057 5.545) 6.796 6.010 ( -0.669 0.191 25.426) 25.435 7.013 ( -1.666 -0.074 -4.159) 4.481 7.441 ( 1.623 0.183 -25.952) 26.003 10.003 ( -3.600 -0.139 -8.297) 9.046 10.525 ( -0.258 -0.082 -15.862) 15.865 14.498 ( 0.921 0.171 21.636) 21.656 15.357 ( 0.473 -0.019 10.371) 10.382 17.897 ( -0.144 -0.101 -3.393) 3.397 18.167 ( 0.200 0.006 -6.338) 6.341 18.846 ( 1.001 0.133 -7.672) 7.738 19.081 ( -0.097 -0.214 24.029) 24.030 19.149 ( -1.010 -0.256 11.345) 11.393 20.129 ( 5.185 0.370 -12.829) 13.842 ======================= Grid point 193 (73/215) ======================= q-point: (-0.58 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -0.016 25.206 4.589) 25.621 2.362 ( -0.205 6.491 52.667) 53.066 2.585 ( -4.056 -22.100 -1.339) 22.509 2.926 ( -3.881 -7.480 3.964) 9.312 3.567 ( 5.136 5.849 -8.580) 11.585 3.855 ( -13.174 2.639 0.449) 13.443 4.012 ( -1.122 -0.178 -10.881) 10.940 4.367 ( -5.185 7.789 2.407) 9.662 4.632 ( 4.187 -3.696 3.219) 6.446 5.117 ( -1.257 -5.019 -5.769) 7.749 5.438 ( -2.217 -0.380 6.165) 6.562 5.989 ( -1.371 0.311 24.188) 24.229 6.975 ( -2.491 -0.270 -4.307) 4.983 7.470 ( 1.785 0.737 -26.066) 26.138 9.927 ( -4.914 -0.810 -8.457) 9.815 10.523 ( -0.140 -0.247 -15.848) 15.850 14.511 ( 0.733 0.634 22.020) 22.041 15.367 ( 0.626 0.013 11.064) 11.082 17.899 ( 0.214 -0.385 -3.391) 3.419 18.179 ( 1.060 -0.221 -7.063) 7.145 18.863 ( 1.126 0.513 -7.856) 7.952 19.096 ( 1.256 -0.885 24.846) 24.894 19.140 ( -0.481 -0.984 11.477) 11.529 20.227 ( 6.038 1.415 -13.409) 14.774 ======================= Grid point 194 (74/215) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -5.246 22.348 4.863) 23.465 2.249 ( -3.394 12.871 45.227) 47.145 2.605 ( -9.528 -17.159 0.591) 19.636 2.947 ( -1.233 -10.569 12.645) 16.526 3.413 ( -12.431 15.994 -4.712) 20.798 3.748 ( 2.679 1.414 -1.259) 3.281 4.001 ( -1.807 -2.599 -12.039) 12.448 4.245 ( -1.816 5.285 2.794) 6.247 4.723 ( 2.673 -2.568 1.494) 3.997 5.189 ( 3.775 -7.371 -6.744) 10.680 5.354 ( -6.484 -0.378 5.319) 8.395 5.957 ( -1.793 0.287 23.112) 23.184 6.928 ( -2.744 -0.497 -4.365) 5.180 7.494 ( 1.645 1.537 -26.235) 26.331 9.834 ( -5.992 -1.561 -8.979) 10.907 10.524 ( -0.033 -0.453 -15.826) 15.833 14.515 ( 0.479 1.255 22.319) 22.360 15.380 ( 0.785 0.044 11.889) 11.915 17.909 ( 0.420 -0.808 -3.609) 3.722 18.208 ( 1.628 -0.629 -7.514) 7.714 18.878 ( 1.026 1.050 -8.025) 8.158 19.140 ( 2.275 -2.181 27.485) 27.665 19.146 ( 0.015 -1.965 12.094) 12.253 20.331 ( 6.626 2.209 -13.706) 15.383 ======================= Grid point 195 (75/215) ======================= q-point: (-0.42 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -8.656 18.873 5.516) 21.484 2.075 ( -3.574 16.264 39.472) 42.841 2.496 ( -12.413 -11.657 3.807) 17.449 2.969 ( -7.705 8.278 11.561) 16.172 3.081 ( -4.584 2.551 10.218) 11.486 3.775 ( 0.644 3.561 -7.528) 8.353 3.982 ( -1.570 -3.414 -9.296) 10.027 4.240 ( 4.274 3.798 3.094) 6.501 4.762 ( -0.634 -2.212 -0.713) 2.409 5.185 ( -8.361 -0.337 6.159) 10.390 5.378 ( 6.716 -8.505 -12.078) 16.227 5.922 ( -1.730 0.110 22.338) 22.405 6.884 ( -2.352 -0.672 -4.388) 5.024 7.507 ( 1.226 2.395 -26.438) 26.575 9.730 ( -6.359 -1.714 -9.263) 11.366 10.528 ( 0.034 -0.653 -15.815) 15.829 14.510 ( 0.237 1.855 22.464) 22.541 15.395 ( 0.852 0.084 12.650) 12.679 17.925 ( 0.460 -1.290 -3.955) 4.186 18.246 ( 1.720 -1.093 -7.536) 7.807 18.885 ( 0.734 1.553 -8.145) 8.324 19.167 ( 0.303 -2.844 13.024) 13.334 19.212 ( 2.800 -4.555 31.154) 31.609 20.444 ( 7.013 1.557 -13.135) 14.971 ======================= Grid point 196 (76/215) ======================= q-point: (-0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -7.370 16.506 6.314) 19.147 1.892 ( -2.236 18.882 36.120) 40.819 2.360 ( -8.718 -8.873 6.374) 13.977 2.616 ( -8.566 28.248 11.618) 31.722 3.147 ( 0.955 -11.649 21.349) 24.339 3.730 ( -1.956 2.363 -11.867) 12.257 3.999 ( 0.776 -1.602 -4.413) 4.759 4.328 ( 7.689 3.207 1.983) 8.563 4.701 ( -7.348 0.749 -1.677) 7.574 5.058 ( -4.708 -1.983 6.326) 8.131 5.564 ( 5.836 -7.813 -19.092) 21.438 5.893 ( -1.281 0.069 21.901) 21.938 6.854 ( -1.365 -0.765 -4.431) 4.699 7.505 ( 0.622 3.085 -26.628) 26.814 9.631 ( -4.912 -0.762 -8.551) 9.891 10.534 ( 0.044 -0.798 -15.831) 15.851 14.498 ( 0.067 2.273 22.428) 22.543 15.409 ( 0.632 0.237 12.961) 12.978 17.944 ( 0.321 -1.705 -4.313) 4.648 18.283 ( 1.169 -1.366 -7.070) 7.295 18.883 ( 0.357 1.858 -8.197) 8.412 19.196 ( 0.286 -3.349 14.026) 14.423 19.307 ( 2.229 -8.229 34.197) 35.243 20.569 ( 6.093 -1.837 -10.935) 12.652 ======================= Grid point 197 (77/215) ======================= q-point: (-0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -0.000 15.862 7.251) 17.441 1.725 ( -0.000 21.254 32.337) 38.697 2.287 ( -0.000 35.384 22.553) 41.960 2.361 ( 0.000 -12.625 5.125) 13.626 3.243 ( 0.000 -11.628 23.652) 26.356 3.696 ( -0.000 1.671 -12.726) 12.836 4.015 ( 0.000 -0.729 -2.815) 2.908 4.456 ( 0.000 -0.053 0.785) 0.787 4.524 ( -0.000 6.210 -0.220) 6.214 5.040 ( 0.000 -2.992 5.661) 6.403 5.673 ( 0.000 -4.925 -26.248) 26.706 5.877 ( -0.000 0.343 22.701) 22.704 6.846 ( 0.000 -0.785 -4.476) 4.545 7.487 ( -0.000 3.396 -26.695) 26.910 9.580 ( -0.000 0.229 -7.490) 7.493 10.540 ( 0.000 -0.852 -15.868) 15.891 14.481 ( -0.000 2.408 22.225) 22.355 15.412 ( -0.000 0.678 12.511) 12.529 17.960 ( 0.000 -1.910 -4.595) 4.976 18.304 ( 0.000 -1.258 -6.186) 6.313 18.872 ( -0.000 1.912 -8.157) 8.378 19.223 ( 0.000 -3.417 14.837) 15.226 19.404 ( 0.000 -12.182 34.791) 36.862 20.669 ( 0.000 -6.661 -6.913) 9.600 ======================= Grid point 204 (78/215) ======================= q-point: (-0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -4.476 -0.000 6.216) 7.660 2.210 ( 3.780 0.000 3.619) 5.233 2.453 ( -1.094 -0.000 50.972) 50.984 2.864 ( -5.237 -0.000 -1.753) 5.523 3.609 ( 7.240 0.000 -5.912) 9.347 3.874 ( -13.161 -0.000 -1.019) 13.201 4.010 ( -2.249 -0.000 -14.661) 14.833 4.454 ( -7.860 -0.000 2.698) 8.311 4.583 ( 6.386 0.000 4.578) 7.858 5.076 ( -2.066 -0.000 -5.483) 5.859 5.435 ( -1.960 -0.000 6.964) 7.235 5.992 ( -1.392 -0.000 24.168) 24.208 6.973 ( -2.533 -0.000 -4.345) 5.030 7.476 ( 1.929 0.000 -26.064) 26.136 9.922 ( -5.053 -0.000 -8.264) 9.686 10.521 ( -0.173 -0.000 -15.866) 15.867 14.515 ( 0.846 0.000 22.100) 22.117 15.367 ( 0.625 0.000 11.067) 11.085 17.896 ( 0.141 0.000 -3.320) 3.323 18.178 ( 0.975 0.000 -7.362) 7.426 18.867 ( 1.234 0.000 -7.875) 7.971 19.090 ( 1.092 0.000 24.361) 24.386 19.132 ( -0.676 -0.000 11.305) 11.325 20.237 ( 6.172 0.000 -13.545) 14.885 ======================= Grid point 206 (79/215) ======================= q-point: (-0.58 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -8.615 21.029 1.976) 22.811 2.319 ( -6.055 -19.899 3.581) 21.106 2.409 ( -1.230 7.537 52.491) 53.044 2.810 ( -2.909 -6.872 3.533) 8.257 3.602 ( -10.662 8.518 -3.538) 14.097 3.751 ( 5.386 -1.148 -4.919) 7.384 3.970 ( -2.993 -1.304 -13.589) 13.976 4.324 ( -3.245 4.265 2.864) 6.077 4.689 ( 3.604 -1.763 2.388) 4.669 5.095 ( 2.858 -4.184 -5.412) 7.413 5.350 ( -6.960 -0.180 7.328) 10.108 5.960 ( -1.863 0.135 23.186) 23.261 6.923 ( -2.789 -0.183 -4.432) 5.240 7.510 ( 1.885 0.554 -26.245) 26.319 9.820 ( -5.959 -0.470 -8.401) 10.311 10.519 ( -0.084 -0.167 -15.833) 15.834 14.528 ( 0.653 0.462 22.533) 22.547 15.380 ( 0.735 -0.026 11.944) 11.966 17.901 ( 0.289 -0.290 -3.435) 3.459 18.202 ( 1.449 -0.226 -8.388) 8.515 18.889 ( 1.219 0.414 -8.069) 8.171 19.121 ( 1.897 -0.627 26.042) 26.119 19.126 ( -0.291 -0.764 11.691) 11.720 20.352 ( 6.326 0.684 -14.342) 15.690 ======================= Grid point 207 (80/215) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -11.499 18.060 2.914) 21.608 2.269 ( -10.630 -11.721 7.691) 17.594 2.306 ( -2.859 9.535 41.935) 43.100 2.850 ( -0.565 -11.694 12.554) 17.166 3.333 ( -7.973 16.777 -0.712) 18.589 3.826 ( 1.009 3.324 -8.355) 9.048 3.928 ( -1.287 -3.870 -10.701) 11.452 4.297 ( 3.323 3.795 3.021) 5.879 4.737 ( 0.496 -1.256 -0.381) 1.403 5.179 ( -6.976 -0.531 5.640) 8.987 5.247 ( 3.606 -8.292 -5.894) 10.793 5.924 ( -1.792 0.157 22.743) 22.814 6.876 ( -2.375 -0.390 -4.432) 5.044 7.535 ( 1.482 1.351 -26.464) 26.539 9.713 ( -5.796 -0.710 -8.376) 10.211 10.520 ( -0.016 -0.377 -15.791) 15.795 14.532 ( 0.403 1.082 22.820) 22.849 15.394 ( 0.736 -0.120 12.854) 12.875 17.911 ( 0.308 -0.719 -3.685) 3.767 18.233 ( 1.471 -0.697 -9.090) 9.235 18.904 ( 0.930 1.013 -8.209) 8.324 19.132 ( 0.003 -1.805 12.265) 12.397 19.168 ( 2.192 -1.772 28.677) 28.815 20.459 ( 5.695 0.655 -14.888) 15.953 ======================= Grid point 208 (81/215) ======================= q-point: (-0.42 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -8.707 15.951 4.244) 18.662 2.147 ( -3.533 7.650 27.389) 28.656 2.177 ( -7.717 -4.592 19.132) 21.134 2.925 ( -0.524 -6.360 16.055) 17.277 3.081 ( -3.113 19.474 5.527) 20.481 3.762 ( -3.123 1.941 -12.899) 13.413 3.975 ( 2.026 -1.744 -5.256) 5.897 4.371 ( 6.510 2.672 2.212) 7.376 4.717 ( -3.412 1.299 -1.685) 4.021 5.029 ( -6.740 -1.846 7.034) 9.915 5.420 ( 4.799 -11.006 -12.298) 17.188 5.895 ( -1.143 0.171 22.601) 22.631 6.844 ( -1.368 -0.566 -4.422) 4.663 7.544 ( 0.794 2.187 -26.661) 26.762 9.623 ( -3.960 -0.307 -7.961) 8.897 10.524 ( 0.013 -0.582 -15.771) 15.782 14.527 ( 0.168 1.687 22.897) 22.960 15.408 ( 0.518 -0.233 13.516) 13.528 17.923 ( 0.213 -1.189 -3.965) 4.145 18.263 ( 0.981 -1.249 -9.126) 9.263 18.908 ( 0.469 1.549 -8.269) 8.426 19.150 ( 0.119 -2.743 12.945) 13.233 19.224 ( 1.605 -3.607 31.372) 31.619 20.551 ( 3.969 -0.773 -14.695) 15.241 ======================= Grid point 209 (82/215) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.000 15.661 5.359) 16.553 2.011 ( -0.000 18.896 37.865) 42.318 2.167 ( 0.000 -13.883 6.642) 15.390 2.782 ( -0.000 30.532 9.317) 31.921 3.071 ( 0.000 -11.137 20.048) 22.934 3.719 ( -0.000 1.489 -13.345) 13.428 4.004 ( 0.000 -0.927 -3.903) 4.011 4.457 ( -0.000 0.193 1.270) 1.285 4.615 ( -0.000 6.138 -0.564) 6.164 4.992 ( 0.000 -3.635 5.981) 6.999 5.550 ( 0.000 -11.063 -17.672) 20.849 5.882 ( -0.000 0.301 22.725) 22.727 6.835 ( 0.000 -0.690 -4.437) 4.490 7.533 ( -0.000 2.831 -26.744) 26.893 9.583 ( -0.000 0.199 -7.512) 7.515 10.529 ( 0.000 -0.735 -15.790) 15.807 14.515 ( -0.000 2.119 22.755) 22.854 15.415 ( 0.000 -0.167 13.586) 13.587 17.935 ( 0.000 -1.560 -4.187) 4.468 18.283 ( 0.000 -1.533 -8.382) 8.521 18.900 ( -0.000 1.838 -8.272) 8.474 19.174 ( 0.000 -3.279 13.586) 13.976 19.275 ( 0.000 -6.025 33.278) 33.819 20.605 ( 0.000 -2.719 -13.351) 13.625 ======================= Grid point 218 (83/215) ======================= q-point: (-0.58 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -15.236 -0.000 -0.262) 15.238 2.109 ( -8.450 -0.000 7.284) 11.156 2.433 ( -0.227 -0.000 56.738) 56.739 2.736 ( -1.652 -0.000 0.726) 1.804 3.463 ( -6.663 -0.000 -2.238) 7.029 3.864 ( 5.671 0.000 -6.621) 8.718 3.882 ( -5.454 -0.000 -13.670) 14.717 4.330 ( 2.334 0.000 2.687) 3.559 4.727 ( 1.119 0.000 -0.119) 1.125 5.165 ( 5.819 0.000 -5.106) 7.742 5.189 ( -9.848 -0.000 7.613) 12.447 5.926 ( -1.815 -0.000 22.811) 22.884 6.873 ( -2.383 -0.000 -4.449) 5.047 7.545 ( 1.574 0.000 -26.471) 26.518 9.708 ( -5.616 -0.000 -8.145) 9.894 10.517 ( -0.034 -0.000 -15.782) 15.782 14.540 ( 0.465 0.000 22.952) 22.957 15.393 ( 0.685 0.000 12.865) 12.884 17.905 ( 0.254 0.000 -3.588) 3.597 18.228 ( 1.360 0.000 -9.695) 9.790 18.912 ( 1.022 0.000 -8.250) 8.313 19.119 ( -0.130 -0.000 11.986) 11.987 19.156 ( 2.049 0.000 27.875) 27.950 20.464 ( 5.296 0.000 -15.359) 16.246 ======================= Grid point 220 (84/215) ======================= q-point: (-0.50 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -10.776 9.552 1.554) 14.484 1.983 ( -8.230 -9.103 8.781) 15.090 2.381 ( -0.395 11.810 50.012) 51.389 2.760 ( -0.255 -10.296 7.463) 12.719 3.344 ( -2.479 10.762 -1.283) 11.118 3.783 ( -4.115 0.776 -13.559) 14.191 3.953 ( 3.046 -1.053 -6.005) 6.815 4.401 ( 5.159 1.242 2.375) 5.813 4.733 ( -0.431 0.694 -2.015) 2.174 5.009 ( -8.556 -0.778 7.657) 11.508 5.287 ( 4.402 -5.703 -6.763) 9.881 5.897 ( -1.115 0.083 22.739) 22.766 6.838 ( -1.371 -0.208 -4.416) 4.629 7.565 ( 0.889 0.787 -26.670) 26.696 9.621 ( -3.557 -0.076 -7.768) 8.544 10.518 ( -0.005 -0.213 -15.738) 15.739 14.544 ( 0.228 0.622 23.175) 23.184 15.405 ( 0.439 -0.147 13.593) 13.601 17.911 ( 0.153 -0.424 -3.774) 3.800 18.250 ( 0.837 -0.500 -10.443) 10.489 18.925 ( 0.562 0.655 -8.348) 8.392 19.121 ( -0.008 -1.107 12.385) 12.434 19.193 ( 1.401 -0.967 29.657) 29.705 20.544 ( 3.168 -0.215 -16.006) 16.318 ======================= Grid point 221 (85/215) ======================= q-point: (-0.42 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -0.000 12.790 3.229) 13.192 1.974 ( 0.000 -12.032 8.707) 14.852 2.271 ( -0.000 16.513 43.085) 46.141 2.846 ( 0.000 -12.683 14.425) 19.208 3.208 ( -0.000 20.016 1.384) 20.063 3.737 ( -0.000 0.871 -13.726) 13.753 3.989 ( 0.000 -1.056 -5.154) 5.261 4.461 ( -0.000 0.406 1.790) 1.835 4.695 ( -0.000 4.740 -1.527) 4.980 4.939 ( 0.000 -3.393 6.918) 7.705 5.389 ( 0.000 -9.845 -9.879) 13.947 5.885 ( -0.000 0.176 22.745) 22.746 6.827 ( 0.000 -0.403 -4.407) 4.425 7.565 ( -0.000 1.592 -26.754) 26.801 9.586 ( -0.000 0.115 -7.528) 7.529 10.520 ( 0.000 -0.423 -15.734) 15.740 14.540 ( -0.000 1.238 23.154) 23.187 15.411 ( 0.000 -0.298 13.863) 13.866 17.917 ( 0.000 -0.866 -3.911) 4.006 18.264 ( 0.000 -1.037 -10.244) 10.297 18.923 ( -0.000 1.249 -8.333) 8.426 19.133 ( 0.000 -2.136 12.710) 12.888 19.218 ( 0.000 -2.240 30.903) 30.984 20.580 ( 0.000 -1.019 -15.828) 15.861 ======================= Grid point 233 (86/215) ======================= q-point: ( 0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -0.000 0.000 1.234) 1.234 1.869 ( -0.000 0.000 10.704) 10.704 2.428 ( -0.000 0.000 56.179) 56.179 2.714 ( -0.000 0.000 1.049) 1.049 3.364 ( -0.000 0.000 -1.669) 1.669 3.743 ( -0.000 0.000 -13.854) 13.854 3.979 ( -0.000 0.000 -5.887) 5.887 4.465 ( -0.000 0.000 2.018) 2.018 4.735 ( -0.000 0.000 -2.776) 2.776 4.909 ( 0.000 -0.000 8.156) 8.156 5.309 ( -0.000 0.000 -6.373) 6.373 5.887 ( -0.000 0.000 22.753) 22.753 6.824 ( -0.000 0.000 -4.396) 4.396 7.577 ( -0.000 0.000 -26.754) 26.754 9.586 ( -0.000 0.000 -7.534) 7.534 10.517 ( -0.000 0.000 -15.713) 15.713 14.549 ( -0.000 0.000 23.302) 23.302 15.408 ( -0.000 0.000 13.869) 13.869 17.911 ( -0.000 0.000 -3.813) 3.813 18.256 ( -0.000 0.000 -10.975) 10.975 18.933 ( -0.000 0.000 -8.414) 8.414 19.117 ( -0.000 0.000 12.452) 12.452 19.203 ( -0.000 0.000 30.033) 30.033 20.573 ( -0.000 0.000 -16.462) 16.462 ======================= Grid point 302 (87/215) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.000 0.000 16.995) 16.995 1.216 ( 0.000 0.000 35.968) 35.968 2.578 ( 0.000 0.000 -13.333) 13.333 2.634 ( 0.000 0.000 37.236) 37.236 3.609 ( 0.000 0.000 8.539) 8.539 3.991 ( 0.000 0.000 -2.865) 2.865 4.299 ( 0.000 0.000 48.242) 48.242 4.351 ( 0.000 0.000 -0.402) 0.402 4.482 ( 0.000 0.000 1.758) 1.758 5.217 ( 0.000 0.000 5.935) 5.935 5.229 ( 0.000 0.000 -5.172) 5.172 6.464 ( 0.000 0.000 33.172) 33.172 6.667 ( 0.000 0.000 -41.667) 41.667 6.721 ( 0.000 0.000 -9.925) 9.925 9.346 ( 0.000 0.000 -14.665) 14.665 10.078 ( 0.000 0.000 -31.153) 31.153 14.987 ( 0.000 0.000 32.491) 32.491 15.600 ( 0.000 0.000 15.709) 15.709 17.917 ( 0.000 0.000 -3.402) 3.402 18.241 ( 0.000 0.000 -4.867) 4.867 18.608 ( 0.000 0.000 -12.778) 12.778 19.565 ( 0.000 0.000 -18.855) 18.855 19.753 ( 0.000 0.000 19.117) 19.117 21.356 ( 0.000 0.000 -6.834) 6.834 ======================= Grid point 303 (88/215) ======================= q-point: ( 0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 13.214 -1.241 14.004) 19.294 1.290 ( 3.965 -10.788 32.600) 34.567 2.655 ( 8.021 1.225 -14.464) 16.585 2.663 ( 2.249 -2.309 35.317) 35.463 3.650 ( 4.835 0.907 9.665) 10.845 3.981 ( -0.767 0.788 -3.535) 3.702 4.230 ( -6.626 -0.591 21.597) 22.598 4.298 ( -1.082 1.465 28.765) 28.823 4.638 ( 11.268 0.016 -2.421) 11.525 5.184 ( -2.662 -1.087 2.257) 3.655 5.248 ( 0.694 -0.099 -1.219) 1.406 6.478 ( 1.434 -0.058 33.366) 33.397 6.667 ( -0.297 -0.810 -40.424) 40.433 6.739 ( 1.892 0.152 -11.020) 11.182 9.392 ( 4.651 0.064 -15.869) 16.537 10.075 ( -0.185 0.228 -31.237) 31.238 14.991 ( 0.114 -0.863 32.516) 32.528 15.604 ( -0.047 -1.012 15.577) 15.610 17.912 ( -0.405 0.338 -3.228) 3.271 18.227 ( -1.230 0.639 -4.899) 5.092 18.608 ( -0.062 -0.277 -12.774) 12.777 19.563 ( -0.469 -0.618 -17.614) 17.631 19.739 ( -0.976 1.198 17.817) 17.884 21.162 ( -16.474 7.141 1.574) 18.024 ======================= Grid point 304 (89/215) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 13.605 1.494 15.352) 20.567 1.529 ( 9.804 -19.889 21.246) 30.710 2.742 ( 3.837 -3.630 30.128) 30.588 2.825 ( 9.887 1.235 -17.142) 19.828 3.775 ( 9.891 3.035 12.451) 16.189 3.954 ( -1.179 1.650 -5.812) 6.155 4.131 ( -4.481 -1.599 22.517) 23.014 4.263 ( -0.864 3.018 30.458) 30.619 4.829 ( 8.906 1.961 -5.949) 10.888 5.143 ( -3.258 -3.016 0.158) 4.442 5.256 ( 0.366 -0.486 1.302) 1.437 6.516 ( 2.511 -0.091 33.889) 33.982 6.670 ( -0.194 -1.414 -39.978) 40.004 6.782 ( 2.771 0.347 -11.042) 11.389 9.501 ( 6.853 0.531 -17.719) 19.005 10.068 ( -0.321 0.389 -31.454) 31.459 15.003 ( 0.206 -1.515 32.574) 32.610 15.612 ( -0.151 -1.543 15.366) 15.444 17.898 ( -0.670 0.548 -2.765) 2.897 18.190 ( -1.937 1.215 -5.109) 5.597 18.609 ( -0.104 -0.485 -12.772) 12.781 19.555 ( -1.066 -0.815 -12.872) 12.941 19.704 ( -1.387 1.851 13.058) 13.261 20.727 ( -21.726 8.913 15.173) 27.958 ======================= Grid point 305 (90/215) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 9.841 1.087 18.468) 20.954 1.910 ( 13.947 -21.518 10.431) 27.684 2.837 ( 3.159 -3.051 16.896) 17.457 2.979 ( 6.854 -0.648 -12.381) 14.166 3.901 ( -2.743 3.589 -6.261) 7.720 3.935 ( 8.245 5.076 19.284) 21.579 4.115 ( 2.881 -0.531 26.573) 26.734 4.237 ( 0.882 1.993 20.579) 20.694 4.908 ( 2.286 5.448 -2.027) 6.246 5.110 ( -2.219 -2.259 -4.748) 5.707 5.290 ( 1.655 -4.554 3.405) 5.922 6.568 ( 2.936 -0.085 34.397) 34.522 6.679 ( -0.028 -1.716 -39.976) 40.013 6.831 ( 2.757 0.593 -10.217) 10.599 9.622 ( 6.453 1.087 -18.085) 19.232 10.059 ( -0.354 0.426 -31.712) 31.717 15.019 ( 0.251 -1.783 32.628) 32.677 15.619 ( -0.247 -1.510 15.332) 15.408 17.881 ( -0.720 0.570 -2.160) 2.347 18.141 ( -2.149 1.649 -5.549) 6.174 18.611 ( -0.121 -0.567 -12.785) 12.798 19.531 ( -1.880 -0.033 -3.126) 3.648 19.670 ( -0.824 1.371 3.925) 4.239 20.289 ( -18.328 6.644 21.119) 28.742 ======================= Grid point 306 (91/215) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 6.760 0.220 19.037) 20.203 2.328 ( 14.619 -19.207 5.303) 24.714 2.886 ( -0.076 -2.442 0.529) 2.500 3.094 ( 4.460 -2.205 -3.018) 5.819 3.778 ( -6.077 7.181 2.463) 9.725 4.007 ( 2.883 1.197 27.727) 27.902 4.192 ( 5.673 4.666 17.403) 18.890 4.304 ( 5.941 -0.147 11.155) 12.639 4.859 ( -2.225 6.484 3.332) 7.622 5.101 ( 0.563 -0.435 -5.262) 5.310 5.367 ( 1.501 -6.818 2.247) 7.334 6.621 ( 2.541 -0.083 33.554) 33.650 6.693 ( 0.156 -1.558 -38.558) 38.590 6.872 ( 2.054 0.709 -9.411) 9.659 9.717 ( 4.588 1.251 -17.224) 17.869 10.050 ( -0.252 0.326 -31.844) 31.846 15.036 ( 0.231 -1.576 32.656) 32.695 15.624 ( -0.251 -1.117 15.473) 15.515 17.865 ( -0.575 0.436 -1.581) 1.738 18.090 ( -1.931 1.660 -6.029) 6.545 18.613 ( -0.108 -0.496 -12.813) 12.823 19.489 ( -2.129 0.911 5.266) 5.752 19.656 ( 0.058 0.643 -1.673) 1.794 19.968 ( -12.256 3.345 18.481) 22.426 ======================= Grid point 307 (92/215) ======================= q-point: ( 0.42 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 3.581 -0.025 19.234) 19.565 2.703 ( 12.628 -10.693 3.158) 16.846 2.890 ( -1.920 -6.729 -7.825) 10.498 3.172 ( 2.370 -1.386 -0.103) 2.748 3.583 ( -7.531 9.910 6.952) 14.257 4.037 ( 1.006 0.268 28.933) 28.952 4.280 ( 6.125 2.493 11.005) 12.839 4.392 ( 2.851 -1.046 10.417) 10.851 4.751 ( -3.964 5.857 7.121) 10.037 5.137 ( 2.737 0.428 -5.269) 5.953 5.429 ( 0.292 -5.166 2.428) 5.716 6.659 ( 1.401 -0.105 28.681) 28.715 6.706 ( 0.254 -0.896 -33.153) 33.166 6.896 ( 1.029 0.514 -8.904) 8.978 9.773 ( 2.271 0.837 -16.379) 16.557 10.045 ( -0.094 0.159 -31.732) 31.733 15.049 ( 0.139 -0.924 32.661) 32.675 15.626 ( -0.155 -0.576 15.635) 15.646 17.854 ( -0.309 0.225 -1.169) 1.230 18.050 ( -1.172 1.045 -6.376) 6.567 18.614 ( -0.065 -0.289 -12.840) 12.844 19.448 ( -1.351 0.816 8.245) 8.395 19.659 ( 0.760 0.795 5.187) 5.303 19.782 ( -6.480 0.597 6.820) 9.426 ======================= Grid point 308 (93/215) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 334 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.000 -0.000 19.392) 19.392 2.836 ( 0.000 -0.000 -3.836) 3.836 2.957 ( 0.000 -0.000 -4.553) 4.553 3.200 ( 0.000 0.000 -0.306) 0.306 3.437 ( 0.000 -0.000 9.084) 9.084 4.045 ( 0.000 -0.000 28.061) 28.061 4.336 ( 0.000 0.000 12.856) 12.856 4.431 ( 0.000 -0.000 6.643) 6.643 4.674 ( -0.000 -0.000 10.019) 10.019 5.166 ( 0.000 0.000 -5.669) 5.669 5.450 ( 0.000 -0.000 2.890) 2.890 6.673 ( 0.000 -0.000 24.018) 24.018 6.712 ( 0.000 -0.000 -28.265) 28.265 6.904 ( 0.000 -0.000 -8.739) 8.739 9.791 ( 0.000 0.000 -16.107) 16.107 10.044 ( 0.000 -0.000 -31.606) 31.606 15.054 ( 0.000 -0.000 32.660) 32.660 15.627 ( 0.000 -0.000 15.701) 15.701 17.851 ( 0.000 -0.000 -1.019) 1.019 18.035 ( 0.000 -0.000 -6.504) 6.504 18.614 ( 0.000 -0.000 -12.852) 12.852 19.432 ( 0.000 -0.000 8.810) 8.810 19.668 ( 0.000 0.000 26.767) 26.767 19.716 ( 0.000 -0.000 -16.226) 16.226 ======================= Grid point 316 (94/215) ======================= q-point: ( 0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 18.349 0.000 8.478) 20.213 1.347 ( 6.772 0.000 31.037) 31.767 2.716 ( 4.402 0.000 33.101) 33.393 2.833 ( 9.141 0.000 -19.391) 21.437 3.800 ( 11.013 0.000 12.302) 16.511 3.966 ( -1.073 -0.000 -5.474) 5.578 4.117 ( -5.023 -0.000 18.748) 19.409 4.287 ( -0.951 -0.000 33.294) 33.308 4.844 ( 10.207 0.000 -7.048) 12.404 5.118 ( -3.663 -0.000 2.806) 4.614 5.252 ( -0.351 -0.000 0.554) 0.656 6.515 ( 2.530 0.000 33.960) 34.054 6.659 ( -0.144 -0.000 -40.304) 40.305 6.785 ( 2.808 0.000 -10.742) 11.103 9.505 ( 7.014 0.000 -18.033) 19.349 10.071 ( -0.351 -0.000 -31.418) 31.420 14.992 ( 0.290 0.000 32.359) 32.360 15.600 ( -0.002 -0.000 15.629) 15.629 17.903 ( -0.720 -0.000 -2.847) 2.937 18.199 ( -1.962 -0.000 -4.733) 5.123 18.606 ( -0.074 -0.000 -12.651) 12.651 19.548 ( -0.897 -0.000 -15.681) 15.707 19.718 ( -1.599 -0.000 14.665) 14.752 20.795 ( -23.555 -0.000 15.067) 27.962 ======================= Grid point 317 (95/215) ======================= q-point: ( 0.17 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 12.625 10.829 17.102) 23.856 1.616 ( 14.074 -18.310 14.083) 27.050 2.812 ( 5.085 -0.706 26.043) 26.544 2.965 ( 4.760 -0.766 -18.850) 19.457 3.937 ( -1.508 1.319 -7.300) 7.570 4.011 ( 5.586 5.121 19.413) 20.839 4.079 ( 6.406 -3.780 17.873) 19.359 4.267 ( -0.322 1.342 28.282) 28.315 4.984 ( 4.839 4.507 -5.701) 8.731 5.069 ( -1.440 -3.090 0.094) 3.410 5.238 ( -1.506 -2.157 2.384) 3.551 6.568 ( 2.999 -0.002 34.715) 34.844 6.662 ( 0.127 -0.665 -40.511) 40.517 6.837 ( 2.784 0.218 -9.986) 10.369 9.634 ( 6.578 0.443 -18.716) 19.844 10.063 ( -0.453 0.145 -31.688) 31.691 15.002 ( 0.490 -0.646 32.287) 32.297 15.603 ( 0.043 -0.634 15.537) 15.550 17.887 ( -0.835 0.212 -2.268) 2.426 18.157 ( -2.239 0.574 -5.026) 5.532 18.605 ( -0.038 -0.201 -12.587) 12.589 19.528 ( -1.440 -0.204 -9.590) 9.700 19.686 ( -1.356 0.671 7.508) 7.659 20.359 ( -20.910 2.627 24.136) 32.042 ======================= Grid point 318 (96/215) ======================= q-point: ( 0.25 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 9.979 9.461 18.154) 22.774 2.034 ( 15.078 -20.285 6.546) 26.109 2.884 ( 2.219 1.516 9.905) 10.263 3.042 ( 2.334 -4.200 -7.884) 9.232 3.867 ( -3.778 4.989 -2.513) 6.744 4.011 ( 0.080 -0.672 29.780) 29.787 4.252 ( 4.087 3.375 18.322) 19.074 4.306 ( 7.728 0.206 10.158) 12.765 4.966 ( -0.126 8.019 3.195) 8.633 5.091 ( 1.087 -0.614 -5.101) 5.252 5.258 ( -0.111 -8.033 2.002) 8.280 6.621 ( 2.644 0.092 34.136) 34.238 6.673 ( 0.484 -1.024 -39.260) 39.277 6.880 ( 1.975 0.403 -9.348) 9.563 9.733 ( 4.490 0.858 -17.757) 18.336 10.053 ( -0.438 0.125 -31.914) 31.917 15.018 ( 0.662 -0.900 32.310) 32.329 15.609 ( 0.093 -0.796 15.514) 15.534 17.870 ( -0.731 0.258 -1.670) 1.841 18.109 ( -2.244 0.956 -5.598) 6.106 18.607 ( 0.033 -0.276 -12.609) 12.612 19.496 ( -1.959 0.211 -0.321) 1.996 19.666 ( -0.223 0.589 -1.905) 2.007 20.010 ( -14.486 2.183 25.451) 29.366 ======================= Grid point 319 (97/215) ======================= q-point: ( 0.33 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 7.357 9.488 17.680) 21.372 2.453 ( 13.526 -20.800 2.918) 24.982 2.878 ( -0.444 2.755 -2.153) 3.525 3.116 ( 1.446 -5.568 -0.012) 5.752 3.726 ( -5.870 9.041 3.589) 11.362 4.022 ( -0.365 -2.246 31.197) 31.280 4.314 ( 5.135 2.072 11.896) 13.122 4.389 ( 1.295 0.302 6.916) 7.043 4.864 ( -3.687 9.591 6.498) 12.157 5.137 ( 2.592 -0.368 -4.813) 5.479 5.335 ( 2.111 -7.740 2.662) 8.453 6.660 ( 1.534 0.181 26.976) 27.020 6.693 ( 0.781 -0.871 -31.491) 31.513 6.903 ( 0.768 0.391 -8.952) 8.994 9.786 ( 1.903 0.868 -16.551) 16.682 10.046 ( -0.321 -0.047 -31.918) 31.920 15.037 ( 0.752 -0.672 32.436) 32.452 15.617 ( 0.183 -0.614 15.595) 15.608 17.857 ( -0.475 0.169 -1.218) 1.318 18.064 ( -1.778 0.837 -6.149) 6.455 18.610 ( 0.128 -0.204 -12.709) 12.711 19.458 ( -1.733 0.468 6.050) 6.311 19.670 ( 0.952 0.591 -4.140) 4.289 19.791 ( -8.051 0.630 19.335) 20.953 ======================= Grid point 320 (98/215) ======================= q-point: ( 0.42 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 3.867 9.770 17.950) 20.799 2.784 ( 1.923 -14.682 -5.917) 15.946 2.877 ( 6.671 -0.698 2.095) 7.027 3.166 ( 0.048 -3.676 -0.951) 3.798 3.538 ( -5.385 10.530 6.158) 13.334 4.024 ( -1.351 -2.789 29.825) 29.986 4.334 ( -3.147 -0.205 10.247) 10.721 4.436 ( 4.324 0.607 7.153) 8.381 4.721 ( -4.227 6.126 9.320) 11.927 5.155 ( -1.446 -1.561 -5.378) 5.784 5.434 ( 3.878 -2.094 3.494) 5.624 6.675 ( 0.226 0.276 25.115) 25.118 6.710 ( 0.590 -0.233 -29.395) 29.402 6.904 ( -0.408 0.057 -8.774) 8.784 9.794 ( -0.533 0.346 -15.992) 16.005 10.042 ( -0.214 -0.238 -31.773) 31.775 15.054 ( 0.723 -0.001 32.656) 32.664 15.625 ( 0.326 -0.232 15.688) 15.693 17.851 ( -0.166 0.001 -1.019) 1.032 18.036 ( -0.775 0.128 -6.542) 6.589 18.614 ( 0.228 0.004 -12.853) 12.855 19.432 ( -0.705 -0.015 8.772) 8.800 19.670 ( -1.780 0.207 26.608) 26.668 19.714 ( 0.933 -0.152 -15.962) 15.990 ======================= Grid point 321 (99/215) ======================= q-point: (-0.50 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.015 9.684 18.174) 20.593 2.757 ( -5.788 -0.155 -2.234) 6.206 3.026 ( 2.621 3.759 -1.810) 4.927 3.145 ( -3.923 -1.601 -4.456) 6.149 3.483 ( 5.124 -2.219 8.883) 10.493 4.013 ( -2.179 -3.091 29.486) 29.727 4.245 ( -6.971 -2.119 9.241) 11.767 4.431 ( -3.201 4.465 12.907) 14.027 4.694 ( 2.867 -2.199 6.016) 7.017 5.121 ( -2.912 -1.849 -4.806) 5.916 5.485 ( 1.514 2.660 3.145) 4.388 6.663 ( -1.318 0.326 31.728) 31.757 6.718 ( 0.429 0.731 -36.261) 36.271 6.889 ( -1.372 -0.482 -8.868) 8.986 9.764 ( -2.731 -0.473 -16.040) 16.277 10.041 ( -0.108 -0.383 -31.791) 31.794 15.063 ( 0.579 0.931 32.920) 32.938 15.632 ( 0.497 0.277 15.685) 15.696 17.851 ( 0.125 -0.218 -1.114) 1.142 18.035 ( 0.423 -0.926 -6.714) 6.791 18.618 ( 0.299 0.303 -12.998) 13.005 19.435 ( 0.651 -0.989 10.003) 10.073 19.648 ( -0.608 -0.792 15.233) 15.265 19.775 ( 5.095 -0.324 -6.027) 7.899 ======================= Grid point 322 (100/215) ======================= q-point: (-0.42 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -3.692 9.041 17.916) 20.405 2.555 ( -11.461 11.338 4.235) 16.668 2.973 ( 0.374 9.845 -6.170) 11.624 3.083 ( -6.093 -4.297 -1.474) 7.600 3.668 ( 8.003 -7.526 4.963) 12.054 3.980 ( -4.142 -2.539 31.298) 31.673 4.126 ( -7.163 -4.082 13.859) 16.126 4.320 ( -5.016 2.457 11.759) 13.018 4.782 ( 2.774 -4.237 3.054) 5.913 5.098 ( -0.270 -1.027 -4.635) 4.756 5.452 ( -1.875 4.898 3.097) 6.091 6.624 ( -2.497 0.285 34.317) 34.409 6.716 ( 0.353 1.652 -39.239) 39.276 6.861 ( -2.171 -0.835 -9.513) 9.793 9.700 ( -4.756 -1.117 -16.562) 17.267 10.044 ( 0.063 -0.520 -31.871) 31.876 15.062 ( 0.374 1.847 33.142) 33.195 15.639 ( 0.635 0.891 15.513) 15.552 17.858 ( 0.369 -0.485 -1.467) 1.588 18.063 ( 1.395 -1.916 -6.656) 7.065 18.621 ( 0.316 0.607 -13.102) 13.120 19.469 ( 1.792 -1.817 10.313) 10.624 19.649 ( 0.159 -0.316 3.173) 3.193 19.920 ( 9.480 -3.148 6.935) 12.160 ======================= Grid point 323 (101/215) ======================= q-point: (-0.33 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -7.335 7.831 17.140) 20.221 2.213 ( -12.189 19.607 7.752) 24.354 2.907 ( -1.571 6.676 0.944) 6.923 2.968 ( -8.918 -2.603 -1.229) 9.371 3.836 ( 3.732 -5.267 -4.997) 8.163 3.877 ( -7.769 -2.668 21.954) 23.441 4.078 ( -1.565 -5.364 36.806) 37.227 4.234 ( -1.972 1.672 8.514) 8.898 4.834 ( -0.977 -4.591 -0.677) 4.743 5.130 ( 3.160 0.350 -5.576) 6.419 5.358 ( -3.964 4.590 4.135) 7.341 6.571 ( -2.892 0.234 34.393) 34.515 6.708 ( 0.290 2.169 -39.362) 39.423 6.821 ( -2.665 -0.787 -10.893) 11.242 9.605 ( -6.263 -1.225 -17.171) 18.319 10.051 ( 0.214 -0.645 -31.785) 31.792 15.051 ( 0.173 2.480 33.241) 33.334 15.642 ( 0.652 1.567 15.191) 15.285 17.871 ( 0.527 -0.753 -1.985) 2.187 18.111 ( 1.885 -2.437 -6.419) 7.120 18.621 ( 0.275 0.823 -13.140) 13.168 19.521 ( 2.247 -1.670 7.927) 8.407 19.656 ( 0.360 -0.315 -1.030) 1.135 20.181 ( 14.343 -7.916 14.241) 21.706 ======================= Grid point 324 (102/215) ======================= q-point: (-0.25 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -10.547 6.525 15.554) 19.893 1.851 ( -9.338 23.429 14.177) 28.933 2.787 ( -10.871 -3.176 -16.720) 20.194 2.826 ( -3.134 6.867 27.505) 28.522 3.729 ( -8.123 -2.731 12.482) 15.141 3.919 ( 1.453 -3.038 -6.623) 7.430 4.131 ( 3.170 -3.448 45.535) 45.776 4.228 ( 1.562 -0.039 9.103) 9.236 4.794 ( -6.489 -2.630 -4.206) 8.168 5.188 ( 3.490 2.640 -4.940) 6.599 5.267 ( -2.711 1.118 4.148) 5.080 6.518 ( -2.484 0.198 33.799) 33.890 6.697 ( 0.280 2.219 -38.410) 38.475 6.776 ( -2.603 -0.468 -12.647) 12.921 9.492 ( -6.447 -0.771 -16.988) 18.187 10.060 ( 0.248 -0.692 -31.559) 31.567 15.034 ( 0.029 2.669 33.182) 33.289 15.640 ( 0.493 2.152 14.905) 15.068 17.888 ( 0.534 -0.924 -2.554) 2.769 18.164 ( 1.824 -2.376 -6.077) 6.775 18.619 ( 0.191 0.887 -13.112) 13.143 19.565 ( 1.642 0.130 -1.771) 2.419 19.673 ( 0.722 -1.947 5.678) 6.046 20.558 ( 17.318 -13.578 13.820) 25.986 ======================= Grid point 325 (103/215) ======================= q-point: (-0.17 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -10.019 6.526 14.479) 18.778 1.550 ( -4.612 23.035 23.152) 32.983 2.618 ( -8.717 -3.969 -13.095) 16.224 2.730 ( -1.656 6.999 33.578) 34.340 3.629 ( -4.279 -1.790 8.381) 9.579 3.958 ( 0.803 -2.272 -3.555) 4.294 4.220 ( 2.788 -3.839 49.206) 49.434 4.284 ( 5.104 1.266 2.930) 6.020 4.638 ( -10.409 0.094 -2.677) 10.748 5.203 ( 0.477 0.972 4.651) 4.775 5.254 ( 0.833 1.032 -5.847) 5.996 6.480 ( -1.427 0.166 33.299) 33.330 6.688 ( 0.394 2.022 -38.739) 38.794 6.735 ( -1.877 -0.271 -12.766) 12.906 9.390 ( -4.368 -0.141 -15.656) 16.254 10.069 ( 0.161 -0.625 -31.329) 31.336 15.015 ( -0.031 2.389 32.992) 33.078 15.630 ( 0.216 2.368 14.919) 15.107 17.903 ( 0.350 -0.908 -3.039) 3.191 18.208 ( 1.178 -1.942 -5.707) 6.142 18.616 ( 0.092 0.788 -13.031) 13.056 19.579 ( 0.642 1.429 -12.363) 12.462 19.707 ( 0.761 -2.997 14.767) 15.087 20.976 ( 13.717 -17.427 5.414) 22.829 ======================= Grid point 326 (104/215) ======================= q-point: (-0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -0.000 6.143 15.841) 16.990 1.357 ( -0.000 18.127 30.234) 35.251 2.557 ( 0.000 -2.934 -12.239) 12.586 2.670 ( -0.000 4.969 36.236) 36.575 3.599 ( 0.000 -1.216 7.690) 7.785 3.980 ( 0.000 -1.512 -2.864) 3.239 4.272 ( 0.000 -3.714 49.194) 49.334 4.372 ( -0.000 2.905 -0.549) 2.957 4.480 ( 0.000 -0.201 1.596) 1.609 5.211 ( 0.000 -0.870 6.059) 6.122 5.248 ( -0.000 2.417 -6.888) 7.299 6.465 ( -0.000 0.118 33.141) 33.141 6.680 ( -0.000 1.672 -41.731) 41.765 6.718 ( 0.000 -0.338 -9.898) 9.904 9.347 ( -0.000 0.093 -14.674) 14.674 10.074 ( 0.000 -0.456 -31.204) 31.208 15.000 ( -0.000 1.729 32.744) 32.789 15.615 ( -0.000 1.960 15.254) 15.380 17.912 ( 0.000 -0.686 -3.295) 3.366 18.232 ( 0.000 -1.323 -5.309) 5.472 18.612 ( -0.000 0.563 -12.913) 12.925 19.574 ( -0.000 1.252 -16.699) 16.746 19.735 ( 0.000 -2.398 18.018) 18.177 21.239 ( 0.000 -15.205 -3.019) 15.502 ======================= Grid point 329 (105/215) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 10.568 0.000 21.590) 24.037 1.810 ( 15.834 0.000 3.170) 16.148 2.904 ( 4.503 0.000 20.058) 20.557 3.002 ( 0.223 0.000 -16.552) 16.554 3.909 ( -2.315 -0.000 -11.151) 11.389 4.000 ( -1.688 -0.000 37.679) 37.717 4.280 ( 1.577 0.000 20.102) 20.164 4.306 ( 10.202 0.000 7.951) 12.935 5.048 ( 3.087 0.000 5.174) 6.025 5.094 ( 2.935 0.000 -9.010) 9.476 5.168 ( -4.583 -0.000 3.982) 6.071 6.622 ( 2.729 0.000 35.677) 35.782 6.666 ( 0.563 0.000 -40.860) 40.863 6.883 ( 1.948 0.000 -9.328) 9.529 9.740 ( 4.460 0.000 -17.963) 18.508 10.054 ( -0.518 -0.000 -31.961) 31.966 15.012 ( 0.818 0.000 32.185) 32.196 15.603 ( 0.234 0.000 15.547) 15.549 17.872 ( -0.789 -0.000 -1.704) 1.878 18.116 ( -2.342 -0.000 -5.444) 5.926 18.605 ( 0.083 0.000 -12.536) 12.536 19.497 ( -1.817 -0.000 -2.624) 3.192 19.671 ( -0.410 -0.000 -1.475) 1.531 20.026 ( -15.349 -0.000 27.727) 31.692 ======================= Grid point 330 (106/215) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 10.227 14.071 15.920) 23.581 2.157 ( 12.627 -18.066 4.061) 22.412 2.940 ( 0.911 5.388 0.693) 5.509 3.027 ( 0.996 -6.378 -0.401) 6.468 3.832 ( -4.210 5.072 -7.602) 10.062 3.980 ( -1.727 -2.883 42.173) 42.307 4.336 ( 4.786 0.849 11.680) 12.651 4.393 ( -0.170 0.126 5.589) 5.593 5.012 ( -4.763 9.719 4.411) 11.688 5.127 ( 0.818 -1.295 -5.383) 5.597 5.215 ( 6.467 -7.651 4.970) 11.183 6.664 ( 1.675 0.256 32.465) 32.509 6.682 ( 1.022 -0.499 -37.052) 37.070 6.907 ( 0.631 0.146 -8.982) 9.006 9.796 ( 1.704 0.379 -16.577) 16.669 10.045 ( -0.475 -0.058 -32.150) 32.154 15.031 ( 1.102 -0.245 32.306) 32.326 15.610 ( 0.398 -0.266 15.577) 15.585 17.859 ( -0.573 0.063 -1.246) 1.373 18.073 ( -2.109 0.321 -6.046) 6.412 18.608 ( 0.235 -0.073 -12.634) 12.637 19.462 ( -1.844 0.141 4.463) 4.831 19.676 ( 1.045 0.220 -9.325) 9.386 19.798 ( -9.089 0.273 26.714) 28.220 ======================= Grid point 331 (107/215) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 6.966 16.762 14.632) 23.315 2.500 ( 7.692 -21.618 1.734) 23.011 2.910 ( 0.359 3.348 -2.778) 4.365 3.106 ( 3.092 -4.307 1.804) 5.600 3.686 ( -5.677 9.069 -1.140) 10.760 3.968 ( -2.622 -4.689 37.085) 37.473 4.331 ( -5.022 -0.204 6.630) 8.320 4.445 ( 6.268 0.513 7.615) 9.876 4.830 ( -7.273 7.900 7.234) 12.947 5.121 ( -2.788 -3.161 -4.799) 6.387 5.399 ( 7.763 -2.344 4.899) 9.474 6.680 ( 0.296 0.359 29.996) 30.000 6.706 ( 1.110 -0.315 -34.343) 34.363 6.905 ( -0.700 0.056 -8.843) 8.870 9.800 ( -0.937 0.358 -15.736) 15.768 10.038 ( -0.359 -0.250 -32.134) 32.137 15.054 ( 1.251 -0.001 32.649) 32.673 15.621 ( 0.566 -0.231 15.662) 15.674 17.851 ( -0.288 0.001 -1.019) 1.059 18.038 ( -1.339 0.128 -6.619) 6.754 18.614 ( 0.394 0.004 -12.856) 12.862 19.432 ( -1.215 -0.015 8.696) 8.781 19.673 ( -3.449 0.239 26.545) 26.769 19.712 ( 1.974 -0.183 -15.691) 15.815 ======================= Grid point 332 (108/215) ======================= q-point: (-0.58 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 2.529 17.076 14.836) 22.762 2.691 ( -1.306 -11.718 -4.492) 12.618 2.933 ( 0.613 -6.657 6.030) 9.003 3.196 ( 4.840 2.931 -6.191) 8.387 3.526 ( -2.918 7.040 4.564) 8.883 3.949 ( -3.346 -5.556 32.936) 33.569 4.220 ( -7.261 -1.305 7.511) 10.528 4.510 ( -0.355 5.643 10.870) 12.253 4.683 ( -1.641 0.745 5.478) 5.767 5.084 ( -3.120 -3.165 -3.238) 5.499 5.509 ( 3.299 0.887 4.269) 5.467 6.668 ( -1.314 0.351 34.438) 34.465 6.726 ( 1.094 0.451 -39.091) 39.108 6.883 ( -1.706 -0.324 -8.877) 9.046 9.760 ( -3.170 -0.124 -15.630) 15.948 10.035 ( -0.227 -0.419 -32.066) 32.070 15.075 ( 1.212 0.686 33.142) 33.172 15.634 ( 0.756 0.017 15.722) 15.740 17.848 ( -0.027 -0.155 -1.066) 1.078 18.024 ( -0.265 -0.600 -7.071) 7.102 18.622 ( 0.515 0.231 -13.141) 13.153 19.421 ( -0.134 -0.814 10.995) 11.026 19.638 ( -0.620 -0.577 22.372) 22.388 19.772 ( 4.292 -0.092 -14.966) 15.570 ======================= Grid point 333 (109/215) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -2.009 15.947 14.686) 21.772 2.649 ( -6.277 1.573 -0.997) 6.547 2.964 ( -5.082 -10.381 6.700) 13.360 3.157 ( -1.150 13.728 -13.067) 18.987 3.576 ( 7.348 -4.941 7.426) 11.556 3.924 ( -3.730 -5.446 34.797) 35.417 4.084 ( -8.392 -1.705 9.218) 12.582 4.381 ( -5.370 5.906 11.555) 14.044 4.732 ( 2.613 -2.771 2.355) 4.478 5.070 ( -0.248 -2.730 -2.269) 3.558 5.508 ( -1.680 2.945 4.141) 5.352 6.629 ( -2.498 0.357 35.091) 35.181 6.739 ( 0.873 1.361 -40.015) 40.048 6.849 ( -2.301 -0.738 -9.633) 9.931 9.686 ( -4.962 -0.715 -15.960) 16.729 10.036 ( -0.060 -0.560 -32.031) 32.036 15.087 ( 0.997 1.624 33.643) 33.697 15.649 ( 0.931 0.441 15.632) 15.666 17.852 ( 0.175 -0.401 -1.357) 1.425 18.037 ( 0.736 -1.649 -7.340) 7.559 18.629 ( 0.548 0.563 -13.406) 13.429 19.440 ( 0.975 -2.039 12.612) 12.813 19.646 ( 0.863 -0.198 13.125) 13.155 19.882 ( 6.998 -2.055 -7.008) 10.115 ======================= Grid point 334 (110/215) ======================= q-point: (-0.42 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -6.361 13.942 13.893) 20.685 2.452 ( -8.748 12.620 4.922) 16.125 2.883 ( -10.539 -7.889 -3.382) 13.592 3.046 ( -0.546 11.403 -0.482) 11.426 3.756 ( 6.006 -5.609 -2.695) 8.648 3.858 ( -6.789 -0.472 28.597) 29.396 3.982 ( -3.729 -7.072 29.644) 30.703 4.276 ( -1.681 3.964 7.375) 8.540 4.777 ( -0.409 -3.325 -0.217) 3.357 5.119 ( 3.435 -1.845 -3.349) 5.140 5.417 ( -5.171 3.445 4.773) 7.835 6.575 ( -2.895 0.327 34.538) 34.661 6.739 ( 0.414 1.925 -37.613) 37.665 6.810 ( -2.367 -0.667 -12.930) 13.162 9.589 ( -6.086 -0.968 -16.346) 17.469 10.041 ( 0.097 -0.707 -31.921) 31.929 15.088 ( 0.682 2.534 33.987) 34.088 15.661 ( 0.992 1.037 15.294) 15.361 17.860 ( 0.312 -0.719 -1.801) 1.964 18.073 ( 1.399 -2.644 -7.408) 7.989 18.634 ( 0.477 0.898 -13.574) 13.612 19.484 ( 1.699 -3.135 13.824) 14.276 19.662 ( 0.951 0.923 2.814) 3.110 20.073 ( 10.321 -6.703 2.957) 12.657 ======================= Grid point 335 (111/215) ======================= q-point: (-0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -9.487 11.869 12.773) 19.850 2.176 ( -7.206 20.641 9.406) 23.801 2.709 ( -13.040 -7.019 -9.446) 17.565 2.958 ( -0.665 10.853 16.552) 19.804 3.708 ( -7.207 -0.074 12.315) 14.269 3.867 ( 1.627 -4.166 -7.506) 8.738 4.036 ( 1.996 -8.524 51.889) 52.622 4.261 ( 2.816 3.628 3.733) 5.918 4.757 ( -4.331 -2.439 -2.947) 5.779 5.205 ( 4.354 -0.422 -6.230) 7.612 5.290 ( -5.609 1.924 6.265) 8.626 6.522 ( -2.483 0.279 33.763) 33.855 6.727 ( -0.239 1.538 -29.899) 29.940 6.773 ( -1.720 0.357 -21.312) 21.385 9.481 ( -5.968 -0.695 -16.234) 17.310 10.049 ( 0.167 -0.824 -31.717) 31.728 15.077 ( 0.362 3.158 34.062) 34.210 15.669 ( 0.828 1.751 14.772) 14.899 17.873 ( 0.355 -1.026 -2.296) 2.540 18.123 ( 1.540 -3.194 -7.291) 8.108 18.634 ( 0.328 1.121 -13.605) 13.655 19.542 ( 1.780 -3.349 13.555) 14.075 19.667 ( 0.572 1.268 -3.019) 3.324 20.359 ( 12.380 -13.296 8.245) 19.951 ======================= Grid point 336 (112/215) ======================= q-point: (-0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -8.272 10.848 12.299) 18.368 1.905 ( -3.837 24.949 14.630) 29.175 2.540 ( -9.423 -6.801 -9.041) 14.723 2.863 ( -0.725 11.285 27.910) 30.113 3.606 ( -3.951 -1.099 6.358) 7.566 3.915 ( 0.685 -3.828 -2.244) 4.490 4.133 ( 1.644 -7.360 50.533) 51.093 4.323 ( 6.595 3.555 1.714) 7.686 4.642 ( -8.659 0.390 -2.787) 9.105 5.205 ( -2.611 -0.543 6.844) 7.346 5.272 ( 2.623 0.854 -8.713) 9.139 6.483 ( -1.425 0.242 33.211) 33.243 6.712 ( -0.362 0.536 -20.223) 20.233 6.741 ( -0.921 1.751 -31.418) 31.481 9.388 ( -3.945 -0.126 -15.376) 15.874 10.058 ( 0.124 -0.860 -31.495) 31.507 15.057 ( 0.118 3.340 33.859) 34.024 15.666 ( 0.434 2.404 14.378) 14.584 17.887 ( 0.255 -1.202 -2.739) 3.002 18.171 ( 1.049 -3.161 -6.980) 7.734 18.630 ( 0.152 1.168 -13.501) 13.553 19.588 ( 1.070 -1.328 6.320) 6.547 19.671 ( 0.299 -0.714 0.663) 1.019 20.697 ( 9.910 -19.877 7.095) 23.316 ======================= Grid point 337 (113/215) ======================= q-point: (-0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -0.000 10.301 13.269) 16.798 1.685 ( -0.000 25.492 20.039) 32.425 2.493 ( 0.000 -5.855 -9.223) 10.924 2.778 ( -0.000 9.842 32.899) 34.339 3.579 ( 0.000 -1.439 5.484) 5.669 3.947 ( 0.000 -3.085 -1.957) 3.653 4.197 ( 0.000 -6.384 49.958) 50.364 4.429 ( -0.000 4.714 -1.069) 4.834 4.478 ( -0.000 0.059 1.419) 1.420 5.193 ( 0.000 -1.647 6.447) 6.654 5.285 ( -0.000 2.209 -9.312) 9.570 6.467 ( -0.000 0.210 33.060) 33.060 6.711 ( 0.000 -0.593 -9.828) 9.846 6.713 ( -0.000 2.829 -41.916) 42.012 9.349 ( -0.000 0.161 -14.698) 14.699 10.065 ( 0.000 -0.791 -31.346) 31.356 15.035 ( -0.000 3.054 33.460) 33.599 15.651 ( -0.000 2.691 14.446) 14.695 17.898 ( 0.000 -1.159 -3.020) 3.235 18.203 ( 0.000 -2.671 -6.436) 6.968 18.623 ( -0.000 1.039 -13.295) 13.336 19.596 ( -0.000 1.298 -7.085) 7.203 19.691 ( 0.000 -3.213 11.641) 12.076 20.957 ( 0.000 -22.294 3.228) 22.527 ======================= Grid point 342 (114/215) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 9.842 0.000 13.849) 16.990 2.251 ( 6.316 0.000 3.044) 7.011 2.944 ( -2.434 -0.000 -6.766) 7.190 3.065 ( 6.059 0.000 5.981) 8.514 3.767 ( -5.221 -0.000 -16.715) 17.511 3.918 ( -3.341 -0.000 52.843) 52.948 4.329 ( -5.588 -0.000 5.317) 7.714 4.449 ( 6.693 0.000 7.706) 10.207 4.903 ( -9.392 -0.000 6.172) 11.238 5.086 ( -2.579 -0.000 -4.697) 5.359 5.379 ( 9.666 0.000 5.682) 11.213 6.683 ( 0.213 0.000 36.586) 36.587 6.703 ( 1.405 0.000 -40.968) 40.992 6.905 ( -0.803 -0.000 -8.876) 8.912 9.802 ( -1.091 -0.000 -15.592) 15.630 10.036 ( -0.408 -0.000 -32.330) 32.333 15.054 ( 1.445 0.000 32.645) 32.677 15.619 ( 0.655 0.000 15.649) 15.663 17.851 ( -0.333 -0.000 -1.019) 1.072 18.039 ( -1.546 -0.000 -6.657) 6.834 18.615 ( 0.456 0.000 -12.857) 12.865 19.432 ( -1.400 -0.000 8.658) 8.771 19.675 ( -4.293 -0.000 26.754) 27.096 19.710 ( 2.585 0.000 -15.795) 16.006 ======================= Grid point 343 (115/215) ======================= q-point: (-0.67 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 4.057 20.990 10.561) 23.845 2.432 ( 1.974 -21.234 3.235) 21.569 2.898 ( -2.284 -0.241 -0.993) 2.502 3.211 ( 9.056 0.024 0.733) 9.086 3.637 ( -5.789 6.277 -10.900) 13.846 3.865 ( -4.302 -4.976 45.469) 45.942 4.208 ( -7.295 -0.428 6.557) 9.818 4.567 ( 5.477 1.873 6.453) 8.669 4.710 ( -8.981 1.990 6.491) 11.258 5.041 ( -2.876 -2.156 -1.448) 3.875 5.515 ( 4.494 0.127 5.129) 6.820 6.672 ( -1.351 0.151 36.108) 36.134 6.731 ( 1.517 0.147 -40.840) 40.868 6.880 ( -1.913 -0.111 -8.916) 9.120 9.759 ( -3.448 0.003 -15.332) 15.715 10.030 ( -0.267 -0.184 -32.330) 32.332 15.082 ( 1.581 0.252 33.270) 33.309 15.634 ( 0.890 -0.033 15.737) 15.762 17.847 ( -0.111 -0.056 -1.039) 1.046 18.018 ( -0.678 -0.203 -7.304) 7.338 18.625 ( 0.646 0.087 -13.226) 13.242 19.413 ( -0.646 -0.314 11.397) 11.419 19.632 ( -0.699 -0.210 25.684) 25.695 19.772 ( 3.987 -0.008 -19.105) 19.517 ======================= Grid point 344 (116/215) ======================= q-point: (-0.58 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -2.178 19.711 10.017) 22.217 2.560 ( -2.694 -14.405 -0.508) 14.663 2.858 ( -3.514 -2.601 5.231) 6.817 3.335 ( 3.340 9.538 -11.049) 14.974 3.533 ( 1.606 -0.570 3.700) 4.074 3.829 ( -4.285 -7.152 39.507) 40.378 4.071 ( -7.765 -0.346 8.017) 11.166 4.478 ( -6.747 6.741 8.928) 13.063 4.696 ( 2.746 -2.306 2.146) 4.179 5.026 ( -0.254 -2.958 1.098) 3.165 5.539 ( -1.345 1.302 5.030) 5.367 6.633 ( -2.517 0.245 35.516) 35.606 6.754 ( 1.254 0.765 -40.494) 40.521 6.840 ( -2.409 -0.433 -9.731) 10.034 9.679 ( -5.141 -0.312 -15.544) 16.376 10.029 ( -0.111 -0.368 -32.232) 32.234 15.106 ( 1.465 0.948 34.021) 34.066 15.652 ( 1.097 0.119 15.751) 15.789 17.847 ( 0.042 -0.222 -1.275) 1.294 18.018 ( 0.178 -0.945 -7.886) 7.944 18.636 ( 0.738 0.345 -13.644) 13.668 19.414 ( 0.216 -1.312 13.251) 13.318 19.643 ( 1.480 -0.181 22.380) 22.430 19.861 ( 5.404 -0.881 -18.138) 18.947 ======================= Grid point 345 (117/215) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -7.302 16.794 9.520) 20.640 2.538 ( -5.985 -2.991 -0.418) 6.704 2.780 ( -7.822 -3.248 5.478) 10.086 3.228 ( -1.650 13.161 -7.589) 15.282 3.677 ( 7.069 -5.238 -1.483) 8.922 3.815 ( -2.563 -6.794 47.524) 48.076 3.921 ( -8.262 -0.238 8.584) 11.917 4.345 ( -2.259 5.215 7.251) 9.213 4.737 ( -0.149 -2.172 -0.344) 2.204 5.081 ( 3.547 -3.112 0.807) 4.787 5.456 ( -5.819 1.974 5.501) 8.248 6.580 ( -2.925 0.289 34.633) 34.758 6.760 ( -0.182 0.978 -31.429) 31.445 6.804 ( -1.405 -0.122 -19.390) 19.441 9.578 ( -5.969 -0.566 -15.786) 16.886 10.031 ( 0.029 -0.553 -32.086) 32.091 15.121 ( 1.140 1.891 34.668) 34.738 15.672 ( 1.193 0.444 15.557) 15.609 17.851 ( 0.135 -0.499 -1.647) 1.726 18.038 ( 0.813 -2.063 -8.295) 8.586 18.646 ( 0.682 0.721 -13.984) 14.019 19.440 ( 0.893 -2.748 14.794) 15.073 19.676 ( 2.036 0.934 14.317) 14.491 19.993 ( 7.122 -4.182 -11.228) 13.939 ======================= Grid point 346 (118/215) ======================= q-point: (-0.42 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -10.159 14.120 9.125) 19.643 2.407 ( -5.395 8.004 3.596) 10.300 2.612 ( -11.948 -3.090 -0.164) 12.343 3.128 ( 0.466 12.285 5.593) 13.506 3.725 ( -6.913 2.101 13.383) 15.209 3.797 ( 0.203 -5.764 -6.356) 8.583 3.908 ( 3.141 -8.330 48.410) 49.221 4.320 ( 2.951 4.362 4.600) 6.993 4.726 ( -2.788 -1.872 -2.415) 4.137 5.182 ( 4.499 -2.517 -2.522) 5.739 5.315 ( -7.353 1.360 6.535) 9.931 6.526 ( -2.510 0.281 33.741) 33.836 6.735 ( -1.768 -0.179 -14.772) 14.878 6.790 ( 0.180 1.727 -36.633) 36.674 9.472 ( -5.567 -0.462 -15.691) 16.656 10.037 ( 0.105 -0.732 -31.896) 31.905 15.121 ( 0.711 2.805 35.005) 35.124 15.688 ( 1.044 0.948 15.080) 15.146 17.859 ( 0.181 -0.846 -2.061) 2.235 18.075 ( 1.079 -3.174 -8.453) 9.094 18.650 ( 0.492 1.089 -14.145) 14.195 19.484 ( 1.133 -4.100 16.178) 16.728 19.697 ( 1.448 2.470 4.509) 5.341 20.189 ( 8.255 -9.998 -2.581) 13.220 ======================= Grid point 347 (119/215) ======================= q-point: (-0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -8.040 12.667 9.365) 17.686 2.238 ( -2.168 19.376 8.383) 21.223 2.430 ( -9.989 -7.144 -3.568) 12.788 3.048 ( 0.599 13.798 19.026) 23.510 3.600 ( -4.530 0.332 4.559) 6.435 3.843 ( 0.014 -6.450 5.734) 8.630 4.024 ( 2.561 -6.995 42.788) 43.432 4.378 ( 6.252 3.873 2.529) 7.777 4.649 ( -6.185 0.627 -2.974) 6.892 5.193 ( -4.588 -0.957 7.511) 8.853 5.269 ( 2.886 -1.310 -6.552) 7.278 6.486 ( -1.436 0.261 33.131) 33.163 6.709 ( -1.216 -0.586 -10.764) 10.848 6.778 ( 0.168 2.762 -41.055) 41.148 9.387 ( -3.547 -0.064 -15.155) 15.565 10.045 ( 0.090 -0.866 -31.696) 31.708 15.107 ( 0.298 3.434 34.935) 35.105 15.695 ( 0.597 1.575 14.484) 14.581 17.870 ( 0.149 -1.152 -2.432) 2.695 18.120 ( 0.815 -3.814 -8.310) 9.180 18.648 ( 0.236 1.313 -14.093) 14.156 19.536 ( 0.829 -4.816 17.072) 17.758 19.695 ( 0.605 3.121 -2.635) 4.129 20.429 ( 6.546 -16.628 2.416) 18.033 ======================= Grid point 348 (120/215) ======================= q-point: (-0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -0.000 12.255 10.425) 16.089 2.053 ( -0.000 24.585 11.991) 27.354 2.390 ( 0.000 -8.335 -5.041) 9.741 2.951 ( -0.000 13.839 26.579) 29.966 3.561 ( 0.000 -0.888 2.744) 2.884 3.887 ( 0.000 -5.421 3.828) 6.636 4.098 ( 0.000 -6.930 45.403) 45.929 4.483 ( -0.000 0.628 1.724) 1.835 4.502 ( -0.000 5.225 -2.037) 5.608 5.165 ( 0.000 -2.195 7.141) 7.471 5.302 ( 0.000 -0.031 -8.890) 8.891 6.471 ( -0.000 0.252 32.958) 32.959 6.702 ( 0.000 -0.697 -9.739) 9.764 6.757 ( -0.000 3.165 -42.176) 42.294 9.351 ( -0.000 0.186 -14.732) 14.733 10.053 ( 0.000 -0.916 -31.546) 31.559 15.084 ( -0.000 3.623 34.504) 34.694 15.687 ( -0.000 2.152 14.165) 14.327 17.880 ( 0.000 -1.291 -2.683) 2.978 18.156 ( 0.000 -3.760 -7.813) 8.670 18.641 ( -0.000 1.332 -13.857) 13.921 19.578 ( 0.000 -4.148 15.572) 16.115 19.680 ( -0.000 2.203 -5.318) 5.756 20.636 ( 0.000 -21.052 4.161) 21.459 ======================= Grid point 355 (121/215) ======================= q-point: (-0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -7.354 -0.000 2.200) 7.676 2.342 ( 3.427 0.000 8.973) 9.605 2.848 ( -2.769 -0.000 1.359) 3.085 3.401 ( 10.477 0.000 -1.596) 10.598 3.549 ( -6.118 -0.000 -17.274) 18.325 3.759 ( -4.465 -0.000 52.263) 52.453 4.069 ( -7.320 -0.000 7.836) 10.724 4.538 ( -8.572 -0.000 6.325) 10.653 4.673 ( 3.950 0.000 2.826) 4.856 5.001 ( -0.180 -0.000 2.962) 2.967 5.548 ( -1.190 -0.000 5.384) 5.514 6.635 ( -2.527 -0.000 35.642) 35.731 6.760 ( 1.394 0.000 -40.650) 40.674 6.837 ( -2.452 -0.000 -9.768) 10.072 9.677 ( -5.213 -0.000 -15.395) 16.254 10.026 ( -0.121 -0.000 -32.324) 32.324 15.113 ( 1.639 0.000 34.162) 34.201 15.653 ( 1.149 0.000 15.798) 15.840 17.846 ( -0.005 -0.000 -1.243) 1.243 18.011 ( -0.043 -0.000 -8.097) 8.097 18.639 ( 0.813 0.000 -13.735) 13.759 19.405 ( -0.082 -0.000 13.357) 13.357 19.642 ( 1.695 0.000 25.869) 25.924 19.855 ( 4.882 0.000 -22.180) 22.711 ======================= Grid point 357 (122/215) ======================= q-point: (-0.58 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -10.719 12.661 3.716) 17.001 2.402 ( -3.754 -10.653 4.856) 12.294 2.787 ( -3.610 1.469 2.638) 4.706 3.404 ( -3.306 9.810 -10.137) 14.489 3.601 ( 6.391 -5.440 -8.517) 11.957 3.717 ( -1.236 -4.611 56.196) 56.398 3.931 ( -7.601 0.665 7.761) 10.883 4.409 ( -3.428 2.868 5.990) 7.473 4.715 ( 0.152 -0.911 -0.545) 1.072 5.042 ( 3.699 -1.729 4.690) 6.219 5.475 ( -6.114 0.623 6.009) 8.595 6.583 ( -2.952 0.116 34.668) 34.794 6.767 ( -1.249 0.146 -23.073) 23.108 6.805 ( -0.130 0.155 -27.909) 27.910 9.572 ( -5.919 -0.179 -15.515) 16.606 10.026 ( 0.003 -0.210 -32.202) 32.203 15.140 ( 1.412 0.700 35.077) 35.113 15.676 ( 1.275 0.099 15.764) 15.815 17.846 ( 0.040 -0.175 -1.554) 1.564 18.017 ( 0.402 -0.782 -8.839) 8.883 18.653 ( 0.820 0.281 -14.242) 14.268 19.411 ( 0.391 -1.068 14.746) 14.790 19.686 ( 2.873 0.347 24.382) 24.553 19.953 ( 5.287 -1.377 -22.333) 22.992 ======================= Grid point 358 (123/215) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -12.282 12.293 4.900) 18.054 2.354 ( -8.371 -9.162 2.522) 12.664 2.682 ( -4.338 7.252 2.714) 8.876 3.298 ( 0.154 10.602 -0.316) 10.608 3.682 ( -1.179 -8.383 14.523) 16.810 3.768 ( -7.673 2.152 7.355) 10.844 3.818 ( 5.625 -3.938 32.360) 33.081 4.380 ( 2.445 3.507 5.038) 6.607 4.704 ( -1.869 -1.111 -2.539) 3.343 5.142 ( 4.700 -2.584 2.054) 5.744 5.329 ( -8.485 0.592 7.039) 11.041 6.529 ( -2.545 0.179 33.723) 33.819 6.730 ( -2.157 -0.314 -11.383) 11.590 6.813 ( 0.843 1.172 -40.176) 40.202 9.467 ( -5.319 -0.216 -15.396) 16.290 10.029 ( 0.071 -0.430 -32.041) 32.044 15.154 ( 0.977 1.651 35.738) 35.790 15.697 ( 1.143 0.326 15.523) 15.568 17.850 ( 0.060 -0.462 -1.890) 1.947 18.037 ( 0.614 -2.011 -9.335) 9.569 18.664 ( 0.639 0.698 -14.589) 14.620 19.434 ( 0.625 -2.590 15.872) 16.094 19.731 ( 2.505 1.916 17.910) 18.186 20.076 ( 5.375 -5.448 -16.895) 18.548 ======================= Grid point 359 (124/215) ======================= q-point: (-0.42 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -8.802 11.792 6.204) 15.969 2.264 ( -7.124 -8.908 1.183) 11.468 2.532 ( -3.033 14.449 4.059) 15.312 3.243 ( 2.009 12.447 9.914) 16.040 3.615 ( -6.002 1.494 3.216) 6.971 3.727 ( -0.684 -9.081 20.989) 22.880 3.943 ( 3.760 -4.168 28.580) 29.126 4.431 ( 5.280 3.341 3.354) 7.092 4.658 ( -3.543 0.565 -3.634) 5.107 5.180 ( -6.176 -0.802 8.193) 10.291 5.238 ( 2.824 -2.715 -1.996) 4.396 6.490 ( -1.458 0.204 33.074) 33.107 6.700 ( -1.298 -0.505 -9.970) 10.067 6.813 ( 0.454 2.035 -42.011) 42.062 9.386 ( -3.265 -0.015 -15.029) 15.380 10.034 ( 0.066 -0.637 -31.879) 31.886 15.152 ( 0.461 2.579 35.939) 36.035 15.711 ( 0.680 0.690 15.060) 15.091 17.855 ( 0.059 -0.799 -2.185) 2.328 18.067 ( 0.515 -3.242 -9.437) 9.992 18.666 ( 0.327 1.095 -14.673) 14.717 19.469 ( 0.503 -4.044 16.836) 17.322 19.745 ( 1.202 3.526 8.836) 9.590 20.227 ( 4.114 -11.100 -8.855) 14.784 ======================= Grid point 360 (125/215) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -0.000 12.153 7.596) 14.331 2.259 ( 0.000 -9.493 -0.578) 9.511 2.376 ( -0.000 19.583 6.625) 20.673 3.163 ( -0.000 14.931 18.049) 23.425 3.553 ( 0.000 -0.283 0.337) 0.441 3.786 ( 0.000 -8.528 17.995) 19.914 4.010 ( 0.000 -4.863 32.428) 32.791 4.496 ( -0.000 1.133 2.458) 2.707 4.574 ( -0.000 4.586 -3.385) 5.700 5.132 ( 0.000 -2.283 8.164) 8.477 5.284 ( 0.000 -2.225 -5.264) 5.715 6.474 ( -0.000 0.228 32.871) 32.872 6.692 ( 0.000 -0.615 -9.663) 9.682 6.800 ( -0.000 2.661 -42.427) 42.510 9.354 ( -0.000 0.161 -14.766) 14.767 10.040 ( 0.000 -0.794 -31.754) 31.764 15.135 ( -0.000 3.228 35.633) 35.779 15.711 ( -0.000 1.153 14.602) 14.647 17.863 ( 0.000 -1.066 -2.383) 2.610 18.099 ( 0.000 -3.916 -9.088) 9.895 18.660 ( -0.000 1.318 -14.484) 14.544 19.507 ( 0.000 -4.931 17.482) 18.164 19.728 ( -0.000 3.933 1.669) 4.272 20.369 ( 0.000 -15.656 -2.661) 15.881 ======================= Grid point 369 (126/215) ======================= q-point: (-0.58 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -14.384 -0.000 1.721) 14.487 2.268 ( -6.990 -0.000 6.080) 9.264 2.739 ( -2.414 -0.000 0.184) 2.421 3.396 ( -0.696 -0.000 -2.823) 2.908 3.596 ( -1.406 -0.000 20.335) 20.383 3.788 ( 6.938 0.000 28.654) 29.482 3.788 ( -8.099 -0.000 6.281) 10.249 4.408 ( 2.043 0.000 5.012) 5.412 4.695 ( -1.550 -0.000 -2.752) 3.159 5.120 ( 4.826 0.000 4.341) 6.491 5.333 ( -8.877 -0.000 7.273) 11.476 6.531 ( -2.561 -0.000 33.717) 33.814 6.728 ( -2.210 -0.000 -10.886) 11.108 6.821 ( 0.996 0.000 -40.733) 40.745 9.466 ( -5.237 -0.000 -15.305) 16.176 10.026 ( 0.061 0.000 -32.097) 32.098 15.166 ( 1.077 0.000 36.016) 36.032 15.699 ( 1.169 0.000 15.723) 15.766 17.846 ( 0.018 0.000 -1.823) 1.823 18.022 ( 0.414 0.000 -9.678) 9.687 18.669 ( 0.700 0.000 -14.768) 14.784 19.415 ( 0.436 0.000 15.653) 15.660 19.746 ( 3.096 0.000 25.992) 26.176 20.036 ( 4.210 0.000 -25.311) 25.658 ======================= Grid point 371 (127/215) ======================= q-point: (-0.50 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -10.020 5.767 3.186) 11.992 2.152 ( -6.587 -5.025 4.858) 9.604 2.685 ( -1.314 5.890 -0.127) 6.036 3.389 ( 2.606 6.971 5.621) 9.326 3.601 ( -1.125 -6.399 24.516) 25.362 3.639 ( -6.757 0.812 6.018) 9.085 3.902 ( 4.264 -1.481 22.595) 23.041 4.468 ( 4.325 1.463 4.000) 6.070 4.664 ( -1.712 0.207 -4.444) 4.767 5.172 ( -7.350 -0.247 8.733) 11.417 5.204 ( 2.985 -1.546 1.936) 3.879 6.492 ( -1.475 0.078 33.048) 33.081 6.695 ( -1.299 -0.192 -9.818) 9.905 6.834 ( 0.572 0.739 -42.261) 42.271 9.386 ( -3.125 0.000 -14.977) 15.300 10.028 ( 0.054 -0.234 -31.989) 31.990 15.178 ( 0.559 0.958 36.552) 36.569 15.717 ( 0.710 0.163 15.559) 15.576 17.847 ( 0.010 -0.278 -2.037) 2.056 18.033 ( 0.291 -1.288 -10.134) 10.220 18.678 ( 0.391 0.439 -15.054) 15.066 19.428 ( 0.317 -1.554 16.272) 16.349 19.788 ( 1.838 1.860 22.949) 23.098 20.114 ( 2.640 -4.242 -23.096) 23.631 ======================= Grid point 372 (128/215) ======================= q-point: (-0.42 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -0.000 8.888 4.757) 10.081 2.130 ( 0.000 -7.588 3.483) 8.350 2.607 ( -0.000 11.871 1.748) 11.999 3.359 ( -0.000 11.483 12.108) 16.688 3.552 ( 0.000 -0.005 -1.214) 1.214 3.655 ( 0.000 -8.844 27.919) 29.286 3.958 ( 0.000 -2.529 23.346) 23.483 4.513 ( -0.000 1.065 3.112) 3.290 4.629 ( -0.000 2.795 -4.800) 5.555 5.103 ( 0.000 -1.572 9.325) 9.457 5.248 ( 0.000 -2.403 -0.558) 2.467 6.477 ( -0.000 0.136 32.821) 32.821 6.685 ( 0.000 -0.361 -9.619) 9.626 6.831 ( -0.000 1.506 -42.601) 42.628 9.356 ( -0.000 0.093 -14.791) 14.792 10.031 ( 0.000 -0.459 -31.910) 31.914 15.173 ( -0.000 1.905 36.519) 36.568 15.721 ( -0.000 0.398 15.279) 15.284 17.851 ( 0.000 -0.582 -2.168) 2.245 18.050 ( 0.000 -2.566 -10.050) 10.373 18.677 ( -0.000 0.861 -15.013) 15.038 19.448 ( 0.000 -3.070 16.705) 16.985 19.784 ( -0.000 3.488 15.514) 15.901 20.190 ( 0.000 -8.935 -16.009) 18.333 ======================= Grid point 384 (129/215) ======================= q-point: ( 0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -0.000 0.000 3.117) 3.117 2.068 ( -0.000 0.000 5.564) 5.564 2.697 ( -0.000 0.000 -1.364) 1.364 3.465 ( -0.000 0.000 11.727) 11.727 3.552 ( -0.000 0.000 -1.739) 1.739 3.566 ( -0.000 0.000 29.232) 29.232 3.939 ( -0.000 0.000 21.583) 21.583 4.522 ( -0.000 0.000 3.315) 3.315 4.650 ( -0.000 0.000 -5.481) 5.481 5.090 ( 0.000 -0.000 9.911) 9.911 5.228 ( -0.000 0.000 1.722) 1.722 6.478 ( -0.000 0.000 32.807) 32.807 6.682 ( -0.000 0.000 -9.607) 9.607 6.842 ( -0.000 0.000 -42.663) 42.663 9.357 ( -0.000 0.000 -14.801) 14.801 10.027 ( -0.000 0.000 -31.969) 31.969 15.187 ( -0.000 0.000 36.857) 36.857 15.724 ( -0.000 0.000 15.591) 15.591 17.846 ( -0.000 0.000 -2.084) 2.084 18.031 ( -0.000 0.000 -10.432) 10.432 18.683 ( -0.000 0.000 -15.230) 15.230 19.425 ( -0.000 0.000 16.369) 16.369 19.814 ( 0.000 -0.000 25.921) 25.921 20.121 ( -0.000 0.000 -26.440) 26.440 ======================= Grid point 453 (130/215) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.000 0.000 17.328) 17.328 2.021 ( 0.000 0.000 41.946) 41.946 2.210 ( 0.000 0.000 -20.136) 20.136 3.133 ( 0.000 0.000 15.294) 15.294 3.890 ( 0.000 0.000 15.356) 15.356 3.916 ( 0.000 0.000 -4.235) 4.235 4.335 ( 0.000 0.000 -1.296) 1.296 4.425 ( 0.000 0.000 -6.494) 6.494 5.125 ( 0.000 0.000 -4.529) 4.529 5.386 ( 0.000 0.000 11.266) 11.266 5.518 ( 0.000 0.000 46.557) 46.557 5.834 ( 0.000 0.000 -19.795) 19.795 6.457 ( 0.000 0.000 -15.682) 15.682 7.169 ( 0.000 0.000 34.602) 34.602 8.975 ( 0.000 0.000 -21.418) 21.418 9.294 ( 0.000 0.000 -44.996) 44.996 15.669 ( 0.000 0.000 31.829) 31.829 15.946 ( 0.000 0.000 16.921) 16.921 17.885 ( 0.000 0.000 0.162) 0.162 18.128 ( 0.000 0.000 -6.233) 6.233 18.342 ( 0.000 0.000 -11.317) 11.317 19.054 ( 0.000 0.000 -27.495) 27.495 20.201 ( 0.000 0.000 21.487) 21.487 21.181 ( 0.000 0.000 -10.180) 10.180 ======================= Grid point 454 (131/215) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 9.311 -1.782 15.493) 18.163 2.035 ( 0.447 -3.937 35.474) 35.694 2.286 ( 7.464 0.258 -15.144) 16.886 3.149 ( 0.986 -1.423 15.137) 15.236 3.884 ( -1.524 1.298 -2.513) 3.213 3.944 ( 4.864 1.287 12.774) 13.729 4.233 ( -6.380 -1.487 -2.822) 7.133 4.557 ( 8.782 -0.654 -5.561) 10.415 5.100 ( -1.817 2.135 -3.842) 4.756 5.398 ( 1.203 0.219 12.046) 12.108 5.513 ( -0.935 -1.344 46.488) 46.517 5.832 ( -0.319 -0.262 -20.859) 20.863 6.477 ( 2.075 0.164 -15.485) 15.624 7.188 ( 1.986 -0.037 34.891) 34.948 9.009 ( 3.562 0.011 -21.637) 21.928 9.288 ( -0.420 0.335 -45.146) 45.149 15.674 ( 0.031 -1.176 31.822) 31.844 15.947 ( -0.071 -0.432 16.823) 16.829 17.883 ( -0.099 0.274 0.279) 0.403 18.115 ( -0.908 1.056 -5.982) 6.142 18.342 ( -0.010 -0.070 -11.380) 11.380 19.059 ( -0.158 -1.697 -27.403) 27.456 20.174 ( -2.094 1.826 20.948) 21.131 21.088 ( -7.899 4.350 -7.443) 11.693 ======================= Grid point 455 (132/215) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 13.174 -2.669 12.634) 18.447 2.106 ( 2.594 -8.265 27.137) 28.486 2.449 ( 9.568 0.624 -10.682) 14.354 3.183 ( 1.203 -1.871 14.432) 14.602 3.826 ( -3.122 2.551 -6.389) 7.554 4.049 ( 6.423 3.546 10.571) 12.867 4.175 ( -0.171 -4.234 0.476) 4.264 4.714 ( 7.216 0.256 -6.028) 9.406 5.032 ( -2.856 3.907 -2.280) 5.350 5.424 ( 1.597 -0.235 15.189) 15.274 5.508 ( -1.161 -2.682 45.298) 45.393 5.827 ( -0.459 -0.594 -23.732) 23.744 6.526 ( 3.243 0.395 -15.049) 15.400 7.241 ( 3.483 -0.070 35.663) 35.833 9.099 ( 5.857 0.269 -22.167) 22.930 9.274 ( -0.666 0.511 -45.460) 45.468 15.687 ( 0.033 -2.068 31.798) 31.865 15.950 ( -0.100 -0.787 16.615) 16.634 17.878 ( -0.172 0.486 0.555) 0.758 18.081 ( -1.582 1.904 -5.412) 5.952 18.342 ( -0.015 -0.128 -11.516) 11.516 19.072 ( -0.343 -2.964 -27.230) 27.393 20.102 ( -3.575 3.159 19.517) 20.092 20.851 ( -12.376 6.883 -1.122) 14.206 ======================= Grid point 456 (133/215) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 12.067 -2.403 12.517) 17.552 2.255 ( 5.274 -12.593 17.339) 22.069 2.606 ( 7.516 1.376 -6.672) 10.144 3.214 ( 0.615 -1.857 12.631) 12.781 3.734 ( -4.239 4.019 -8.459) 10.280 4.099 ( 2.799 0.590 0.372) 2.885 4.309 ( 9.246 -1.641 9.547) 13.391 4.793 ( 2.464 4.305 -4.175) 6.483 4.960 ( -1.204 3.420 -1.780) 4.039 5.467 ( 2.158 -2.498 21.138) 21.395 5.506 ( -1.249 -2.827 41.580) 41.695 5.825 ( -0.378 -0.937 -27.554) 27.572 6.584 ( 3.247 0.616 -14.605) 14.974 7.313 ( 4.080 -0.090 36.659) 36.886 9.204 ( 4.811 1.170 -26.658) 27.114 9.265 ( 0.766 0.013 -41.781) 41.788 15.704 ( 0.004 -2.439 31.746) 31.840 15.954 ( -0.084 -0.966 16.460) 16.488 17.870 ( -0.200 0.580 0.820) 1.024 18.032 ( -1.914 2.342 -4.817) 5.687 18.343 ( -0.017 -0.154 -11.640) 11.641 19.087 ( -0.543 -3.456 -27.173) 27.398 20.004 ( -4.021 3.626 17.652) 18.464 20.562 ( -12.448 7.045 5.329) 15.263 ======================= Grid point 457 (134/215) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 8.522 -1.874 15.737) 17.994 2.476 ( 7.225 -15.075 4.364) 17.277 2.697 ( 4.001 2.879 -0.930) 5.016 3.237 ( 0.377 -2.508 10.129) 10.441 3.608 ( -5.486 5.783 -9.795) 12.629 4.178 ( 5.460 -0.666 0.032) 5.500 4.458 ( 4.828 0.550 9.133) 10.345 4.769 ( 0.339 5.973 -0.991) 6.065 4.946 ( 2.069 2.853 -2.347) 4.234 5.493 ( -1.922 -2.232 48.649) 48.738 5.543 ( 2.795 -4.241 16.511) 17.275 5.827 ( -0.141 -1.039 -31.494) 31.511 6.632 ( 2.379 0.688 -14.266) 14.480 7.387 ( 3.575 -0.087 37.574) 37.744 9.220 ( -0.271 1.138 -43.778) 43.794 9.334 ( 4.724 0.129 -25.152) 25.592 15.720 ( -0.028 -2.159 31.665) 31.739 15.960 ( -0.057 -0.878 16.431) 16.455 17.863 ( -0.170 0.518 0.948) 1.094 17.980 ( -1.784 2.160 -4.321) 5.150 18.344 ( -0.015 -0.139 -11.714) 11.715 19.099 ( -0.656 -2.999 -27.292) 27.465 19.909 ( -3.344 3.085 15.828) 16.468 20.311 ( -9.352 5.430 9.931) 14.682 ======================= Grid point 458 (135/215) ======================= q-point: ( 0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 4.645 -1.368 19.344) 19.941 2.660 ( 0.596 -5.445 -11.663) 12.885 2.778 ( 7.667 -4.246 7.765) 11.710 3.265 ( 0.353 -2.907 8.923) 9.391 3.451 ( -5.979 7.094 -9.418) 13.220 4.282 ( 4.406 0.257 1.843) 4.783 4.496 ( 1.812 0.182 6.251) 6.511 4.713 ( -3.112 3.681 0.262) 4.828 5.003 ( 5.377 2.533 -3.021) 6.667 5.466 ( -2.229 -1.606 48.688) 48.765 5.617 ( 1.857 -3.031 20.859) 21.160 5.834 ( 0.166 -0.751 -35.029) 35.038 6.661 ( 1.166 0.484 -14.075) 14.132 7.441 ( 2.080 -0.054 38.187) 38.244 9.207 ( -0.338 0.604 -45.533) 45.538 9.404 ( 2.743 0.232 -23.594) 23.755 15.733 ( -0.030 -1.267 31.581) 31.607 15.964 ( -0.031 -0.521 16.478) 16.487 17.857 ( -0.091 0.301 0.953) 1.004 17.940 ( -1.098 1.302 -3.982) 4.330 18.344 ( -0.009 -0.082 -11.744) 11.745 19.106 ( -0.488 -1.717 -27.435) 27.493 19.843 ( -1.838 1.726 14.417) 14.635 20.147 ( -4.854 2.898 12.480) 13.701 ======================= Grid point 459 (136/215) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 334 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 0.000 -0.000 21.043) 21.043 2.666 ( 0.000 -0.000 -9.063) 9.063 2.907 ( 0.000 -0.000 0.845) 0.845 3.283 ( 0.000 0.000 9.367) 9.367 3.341 ( -0.000 -0.000 -8.553) 8.553 4.317 ( 0.000 -0.000 3.850) 3.850 4.546 ( 0.000 -0.000 4.136) 4.136 4.637 ( -0.000 0.000 0.219) 0.219 5.054 ( 0.000 0.000 -4.660) 4.660 5.447 ( 0.000 -0.000 50.322) 50.322 5.646 ( 0.000 -0.000 22.344) 22.344 5.840 ( 0.000 -0.000 -36.339) 36.339 6.670 ( 0.000 -0.000 -14.019) 14.019 7.461 ( 0.000 -0.000 38.399) 38.399 9.201 ( 0.000 -0.000 -45.854) 45.854 9.429 ( 0.000 -0.000 -23.318) 23.318 15.737 ( 0.000 -0.000 31.545) 31.545 15.966 ( 0.000 -0.000 16.508) 16.508 17.855 ( 0.000 -0.000 0.940) 0.940 17.924 ( 0.000 -0.000 -3.863) 3.863 18.345 ( 0.000 -0.000 -11.752) 11.752 19.107 ( 0.000 -0.000 -27.482) 27.482 19.819 ( 0.000 -0.000 13.848) 13.848 20.091 ( 0.000 0.000 13.298) 13.298 ======================= Grid point 467 (137/215) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 13.732 0.000 11.902) 18.172 2.044 ( 2.096 0.000 30.698) 30.769 2.454 ( 9.669 0.000 -11.152) 14.760 3.169 ( 1.465 0.000 14.705) 14.778 3.845 ( -3.004 -0.000 -5.986) 6.698 4.089 ( 9.825 0.000 13.825) 16.960 4.131 ( -3.589 -0.000 -3.532) 5.036 4.714 ( 7.884 0.000 -6.808) 10.417 5.061 ( -2.993 -0.000 -4.550) 5.446 5.426 ( 1.490 0.000 13.517) 13.599 5.484 ( -1.490 -0.000 48.060) 48.083 5.823 ( -0.475 -0.000 -21.829) 21.834 6.529 ( 3.271 0.000 -15.079) 15.429 7.240 ( 3.484 0.000 35.683) 35.853 9.101 ( 5.998 0.000 -22.092) 22.892 9.278 ( -0.763 -0.000 -45.478) 45.484 15.672 ( 0.151 0.000 31.681) 31.681 15.944 ( -0.078 -0.000 16.848) 16.848 17.881 ( -0.198 -0.000 0.588) 0.620 18.095 ( -1.659 -0.000 -5.346) 5.597 18.341 ( -0.008 -0.000 -11.399) 11.399 19.050 ( -0.175 -0.000 -27.347) 27.347 20.125 ( -3.774 -0.000 19.803) 20.159 20.902 ( -13.081 -0.000 -2.029) 13.237 ======================= Grid point 468 (138/215) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 13.941 -0.043 8.874) 16.526 2.118 ( 3.952 -5.401 24.168) 25.077 2.622 ( 8.142 0.622 -6.613) 10.508 3.191 ( 0.309 -0.970 12.916) 12.956 3.775 ( -3.894 1.558 -7.805) 8.860 4.104 ( 1.160 0.141 -2.860) 3.090 4.297 ( 11.261 -0.320 10.981) 15.732 4.830 ( 4.407 1.110 -6.685) 8.083 5.000 ( -2.406 1.692 -4.243) 5.163 5.447 ( 1.014 -0.147 21.648) 21.672 5.469 ( -0.875 -2.053 43.191) 43.249 5.816 ( -0.357 -0.294 -24.546) 24.550 6.590 ( 3.249 0.224 -14.673) 15.030 7.312 ( 4.084 -0.035 36.698) 36.924 9.218 ( 6.172 0.628 -23.306) 24.118 9.263 ( -0.592 -0.187 -45.065) 45.069 15.679 ( 0.333 -0.874 31.543) 31.557 15.944 ( -0.003 -0.374 16.731) 16.735 17.876 ( -0.275 0.208 0.930) 0.992 18.055 ( -2.163 0.852 -4.715) 5.257 18.342 ( 0.004 -0.053 -11.485) 11.485 19.052 ( -0.064 -1.264 -27.215) 27.244 20.041 ( -4.560 1.318 18.059) 18.672 20.634 ( -13.911 2.604 4.388) 14.818 ======================= Grid point 469 (139/215) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 11.209 2.466 10.562) 15.598 2.276 ( 6.436 -11.769 12.871) 18.590 2.737 ( 5.333 2.390 -0.696) 5.885 3.194 ( -1.183 -2.827 9.669) 10.143 3.676 ( -4.947 3.349 -9.460) 11.188 4.170 ( 5.471 -0.437 -1.446) 5.676 4.468 ( 5.937 0.656 8.171) 10.121 4.845 ( -0.477 4.154 -3.029) 5.163 4.977 ( 1.674 1.481 -4.641) 5.151 5.466 ( -0.969 -1.352 43.627) 43.659 5.488 ( 2.298 -3.115 23.718) 24.032 5.816 ( 0.035 -0.526 -28.622) 28.627 6.640 ( 2.285 0.394 -14.363) 14.548 7.385 ( 3.586 -0.060 37.607) 37.777 9.237 ( -0.672 0.977 -45.257) 45.272 9.333 ( 4.928 -0.215 -23.598) 24.108 15.696 ( 0.560 -1.224 31.440) 31.468 15.949 ( 0.117 -0.577 16.609) 16.620 17.869 ( -0.310 0.293 1.126) 1.204 18.005 ( -2.315 1.248 -4.249) 4.997 18.342 ( 0.023 -0.076 -11.579) 11.580 19.064 ( 0.194 -1.737 -27.177) 27.233 19.945 ( -4.260 1.782 16.222) 16.866 20.374 ( -11.219 3.181 9.311) 14.923 ======================= Grid point 470 (140/215) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 7.513 4.209 15.491) 17.724 2.500 ( 6.294 -13.330 -1.293) 14.797 2.796 ( 4.405 3.639 5.357) 7.832 3.200 ( -1.337 -5.278 7.047) 8.905 3.544 ( -5.820 5.164 -9.918) 12.606 4.288 ( 6.179 0.484 0.461) 6.215 4.501 ( -0.355 0.366 5.596) 5.619 4.771 ( -4.021 4.107 0.259) 5.754 5.027 ( 3.321 0.747 -4.877) 5.947 5.455 ( -0.343 0.171 45.473) 45.475 5.568 ( 3.039 -3.718 24.985) 25.442 5.825 ( 0.541 -0.498 -33.098) 33.106 6.667 ( 0.910 0.368 -14.146) 14.180 7.440 ( 2.099 -0.063 38.174) 38.232 9.218 ( -0.595 0.787 -46.034) 46.044 9.405 ( 2.527 -0.113 -23.015) 23.153 15.716 ( 0.800 -0.927 31.421) 31.445 15.956 ( 0.233 -0.520 16.556) 16.566 17.861 ( -0.293 0.220 1.102) 1.161 17.956 ( -1.923 0.978 -3.958) 4.508 18.343 ( 0.045 -0.058 -11.665) 11.665 19.083 ( 0.656 -1.286 -27.283) 27.321 19.865 ( -3.034 1.279 14.708) 15.072 20.185 ( -6.846 2.211 12.141) 14.113 ======================= Grid point 471 (141/215) ======================= q-point: ( 0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 3.343 5.397 19.113) 20.140 2.631 ( 0.644 -5.120 -7.868) 9.409 2.901 ( 7.242 -0.170 3.583) 8.082 3.208 ( -2.640 -6.357 5.768) 8.981 3.407 ( -3.573 5.095 -6.944) 9.324 4.334 ( -0.375 2.303 3.650) 4.332 4.528 ( 2.284 -2.197 3.362) 4.620 4.656 ( -4.364 2.379 0.557) 5.002 5.040 ( -2.888 -1.720 -2.725) 4.327 5.463 ( 2.176 2.042 48.532) 48.624 5.636 ( 2.000 -1.358 22.255) 22.386 5.840 ( 0.646 -0.035 -36.011) 36.017 6.670 ( -0.387 0.043 -14.014) 14.019 7.461 ( 0.027 -0.036 38.320) 38.320 9.205 ( -0.270 0.440 -46.088) 46.091 9.427 ( -0.368 -0.348 -23.033) 23.038 15.737 ( 0.982 -0.020 31.533) 31.549 15.964 ( 0.317 -0.201 16.536) 16.540 17.855 ( -0.232 0.001 0.940) 0.968 17.925 ( -1.004 0.053 -3.882) 4.010 18.345 ( 0.065 0.000 -11.753) 11.753 19.107 ( 1.300 -0.054 -27.455) 27.486 19.819 ( -1.314 0.007 13.858) 13.921 20.093 ( -2.123 0.158 13.262) 13.432 ======================= Grid point 472 (142/215) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -1.891 6.711 19.553) 20.759 2.658 ( -0.036 -2.504 -6.337) 6.814 2.909 ( -4.026 10.273 -2.227) 11.256 3.235 ( -0.304 -7.972 8.424) 11.602 3.386 ( 3.656 -0.752 -6.179) 7.219 4.284 ( -3.634 0.604 3.268) 4.925 4.499 ( -3.575 0.567 6.648) 7.570 4.667 ( 2.370 -2.743 -1.271) 3.841 4.958 ( -6.852 -3.500 1.029) 7.763 5.497 ( 2.881 2.495 49.399) 49.546 5.653 ( -0.174 1.841 17.699) 17.795 5.846 ( 0.353 0.795 -36.418) 36.428 6.654 ( -1.492 -0.459 -13.984) 14.071 7.441 ( -2.052 0.016 38.058) 38.113 9.202 ( 0.067 -0.093 -45.564) 45.564 9.398 ( -3.029 -0.643 -23.568) 23.770 15.751 ( 1.022 1.269 31.759) 31.801 15.970 ( 0.350 0.296 16.468) 16.475 17.853 ( -0.148 -0.301 0.771) 0.840 17.921 ( 0.118 -1.261 -4.039) 4.233 18.346 ( 0.075 0.085 -11.840) 11.841 19.131 ( 1.833 1.669 -27.599) 27.710 19.817 ( 0.474 -1.697 14.045) 14.155 20.105 ( 2.508 -2.756 12.860) 13.389 ======================= Grid point 473 (143/215) ======================= q-point: (-0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -6.612 6.890 17.124) 19.606 2.658 ( -2.450 -2.282 -4.812) 5.862 2.695 ( -7.556 14.375 1.221) 16.285 3.249 ( -1.119 -1.408 11.143) 11.287 3.521 ( 6.257 -5.720 -9.236) 12.537 4.189 ( -5.517 0.828 2.013) 5.931 4.454 ( -2.660 -0.070 9.988) 10.336 4.685 ( -2.931 -5.212 -0.883) 6.045 4.896 ( -1.966 -4.003 1.071) 4.586 5.527 ( 2.148 2.361 50.513) 50.614 5.604 ( -2.574 3.949 12.710) 13.556 5.845 ( 0.429 1.341 -34.432) 34.460 6.621 ( -2.520 -0.806 -14.127) 14.372 7.388 ( -3.554 0.072 37.436) 37.604 9.207 ( -0.012 -0.689 -43.333) 43.338 9.328 ( -4.724 -0.691 -25.657) 26.097 15.755 ( 0.879 2.558 32.003) 32.117 15.973 ( 0.320 0.820 16.313) 16.336 17.854 ( -0.034 -0.613 0.663) 0.903 17.946 ( 1.016 -2.509 -4.407) 5.173 18.346 ( 0.072 0.171 -11.902) 11.904 19.147 ( 1.865 3.480 -27.552) 27.834 19.860 ( 2.068 -3.536 15.235) 15.776 20.225 ( 6.788 -6.187 10.779) 14.162 ======================= Grid point 474 (144/215) ======================= q-point: (-0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -10.573 6.334 14.281) 18.865 2.456 ( -6.271 14.573 10.111) 18.813 2.585 ( -6.891 -1.512 -7.030) 9.960 3.235 ( -0.413 0.876 12.402) 12.440 3.666 ( 4.948 -5.078 -8.722) 11.240 4.090 ( -4.753 -0.393 4.185) 6.345 4.346 ( -6.434 3.440 8.383) 11.113 4.705 ( -0.630 -7.680 -1.343) 7.822 4.909 ( -0.127 -3.556 0.928) 3.678 5.513 ( -3.140 3.651 18.228) 18.853 5.546 ( 1.247 2.545 42.393) 42.488 5.843 ( 0.463 1.498 -31.605) 31.644 6.573 ( -3.238 -0.851 -14.479) 14.861 7.315 ( -4.068 0.109 36.550) 36.776 9.187 ( -3.978 -0.973 -28.616) 28.908 9.261 ( -1.609 -0.592 -39.935) 39.972 15.747 ( 0.605 3.458 32.153) 32.344 15.971 ( 0.249 1.194 16.141) 16.187 17.860 ( 0.060 -0.826 0.574) 1.007 17.990 ( 1.445 -3.276 -4.935) 6.097 18.346 ( 0.057 0.229 -11.902) 11.904 19.148 ( 1.409 4.802 -27.284) 27.739 19.941 ( 3.054 -4.996 16.931) 17.915 20.440 ( 9.943 -9.520 6.849) 15.375 ======================= Grid point 475 (145/215) ======================= q-point: (-0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -12.247 5.782 13.264) 18.957 2.264 ( -3.677 12.706 17.817) 22.190 2.437 ( -9.336 -0.976 -8.060) 12.373 3.218 ( -0.194 2.735 13.582) 13.856 3.777 ( 3.469 -3.977 -6.842) 8.641 4.003 ( -6.311 -2.686 11.586) 13.464 4.242 ( -0.072 4.967 1.140) 5.097 4.698 ( -5.001 -2.344 -4.231) 6.957 4.959 ( 2.021 -5.757 2.227) 6.495 5.437 ( -2.652 1.535 13.256) 13.606 5.549 ( 1.063 2.835 45.406) 45.507 5.841 ( 0.438 1.290 -28.192) 28.225 6.518 ( -3.165 -0.681 -14.964) 15.310 7.242 ( -3.480 0.116 35.597) 35.767 9.094 ( -5.519 -0.392 -22.337) 23.012 9.264 ( 0.438 -0.943 -45.454) 45.466 15.729 ( 0.307 3.719 32.168) 32.383 15.965 ( 0.170 1.300 16.104) 16.158 17.868 ( 0.098 -0.877 0.424) 0.979 18.042 ( 1.359 -3.383 -5.534) 6.627 18.345 ( 0.037 0.243 -11.815) 11.817 19.132 ( 0.814 5.209 -27.071) 27.580 20.037 ( 3.016 -5.555 18.738) 19.775 20.713 ( 10.488 -11.756 1.167) 15.797 ======================= Grid point 476 (146/215) ======================= q-point: (-0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -8.925 5.086 14.804) 18.019 2.140 ( -0.903 9.845 27.029) 28.780 2.280 ( -7.425 -0.568 -11.558) 13.750 3.188 ( -0.337 3.884 14.375) 14.895 3.851 ( 1.494 -3.174 -2.015) 4.045 3.913 ( -4.376 -2.632 12.032) 13.070 4.271 ( 5.671 3.524 -2.236) 7.042 4.572 ( -7.996 1.174 -4.474) 9.237 5.042 ( 1.837 -5.617 0.541) 5.935 5.394 ( -1.475 -0.170 12.193) 12.283 5.545 ( 0.686 2.727 44.740) 44.828 5.840 ( 0.301 0.908 -24.468) 24.487 6.472 ( -2.017 -0.444 -15.426) 15.563 7.189 ( -1.986 0.100 34.858) 34.915 9.009 ( -3.432 -0.023 -21.652) 21.922 9.279 ( 0.362 -0.926 -45.304) 45.315 15.707 ( 0.090 3.309 32.084) 32.254 15.959 ( 0.090 1.152 16.289) 16.330 17.875 ( 0.073 -0.771 0.243) 0.812 18.086 ( 0.833 -2.929 -6.064) 6.786 18.344 ( 0.017 0.210 -11.651) 11.653 19.106 ( 0.322 4.668 -27.108) 27.509 20.123 ( 1.891 -5.055 20.283) 20.989 20.969 ( 7.062 -11.721 -4.975) 14.560 ======================= Grid point 477 (147/215) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.000 3.770 16.632) 17.054 2.076 ( -0.000 7.242 38.765) 39.436 2.206 ( 0.000 -0.636 -19.553) 19.564 3.157 ( -0.000 3.207 14.917) 15.258 3.872 ( 0.000 -2.386 15.354) 15.538 3.901 ( 0.000 -1.976 -4.359) 4.786 4.351 ( -0.000 2.094 -1.732) 2.717 4.439 ( -0.000 1.748 -5.306) 5.586 5.095 ( 0.000 -4.000 -1.885) 4.422 5.383 ( 0.000 -0.424 11.428) 11.436 5.534 ( -0.000 2.084 45.294) 45.342 5.838 ( -0.000 0.550 -21.759) 21.766 6.455 ( 0.000 -0.273 -15.648) 15.651 7.170 ( -0.000 0.070 34.586) 34.587 8.975 ( -0.000 0.067 -21.427) 21.427 9.288 ( 0.000 -0.686 -45.091) 45.096 15.687 ( -0.000 2.376 31.959) 32.047 15.952 ( -0.000 0.837 16.597) 16.618 17.881 ( 0.000 -0.552 0.158) 0.574 18.112 ( 0.000 -2.097 -6.276) 6.617 18.343 ( -0.000 0.145 -11.475) 11.476 19.079 ( -0.000 3.389 -27.290) 27.500 20.174 ( 0.000 -3.678 21.120) 21.438 21.115 ( 0.000 -8.923 -8.673) 12.444 ======================= Grid point 480 (148/215) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 13.518 0.000 4.762) 14.332 2.178 ( 4.877 0.000 19.732) 20.326 2.756 ( 6.077 0.000 -0.617) 6.108 3.171 ( -1.994 -0.000 9.646) 9.850 3.701 ( -4.839 -0.000 -9.236) 10.427 4.166 ( 5.522 0.000 -1.993) 5.871 4.473 ( 6.180 0.000 7.809) 9.959 4.877 ( -0.236 -0.000 -4.901) 4.907 4.988 ( 1.118 0.000 -4.999) 5.122 5.460 ( 0.632 0.000 18.673) 18.683 5.460 ( 0.926 0.000 49.825) 49.834 5.812 ( 0.087 0.000 -27.390) 27.390 6.643 ( 2.252 0.000 -14.397) 14.572 7.385 ( 3.589 0.000 37.604) 37.775 9.244 ( -0.940 -0.000 -46.417) 46.426 9.331 ( 5.126 0.000 -22.405) 22.984 15.687 ( 0.768 0.000 31.361) 31.371 15.945 ( 0.178 0.000 16.694) 16.695 17.871 ( -0.360 -0.000 1.185) 1.239 18.014 ( -2.505 -0.000 -4.219) 4.907 18.342 ( 0.035 0.000 -11.530) 11.530 19.052 ( 0.502 0.000 -27.151) 27.156 19.958 ( -4.591 -0.000 16.361) 16.993 20.398 ( -11.904 -0.000 9.078) 14.971 ======================= Grid point 481 (149/215) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 10.485 6.835 7.227) 14.453 2.319 ( 6.611 -10.156 9.637) 15.483 2.846 ( 4.494 2.421 5.497) 7.502 3.134 ( -2.568 -2.994 5.714) 6.944 3.594 ( -5.914 1.755 -10.297) 12.004 4.294 ( 7.602 0.223 -0.368) 7.614 4.504 ( -1.874 0.120 5.243) 5.569 4.820 ( -4.654 2.128 -1.206) 5.258 5.028 ( 1.631 -0.258 -3.793) 4.137 5.472 ( 1.921 2.189 39.037) 39.145 5.514 ( 3.212 -3.495 30.656) 31.022 5.820 ( 0.728 -0.168 -31.657) 31.666 6.671 ( 0.773 0.138 -14.184) 14.206 7.439 ( 2.108 -0.028 38.115) 38.173 9.227 ( -0.761 0.375 -46.660) 46.668 9.403 ( 2.423 -0.114 -22.313) 22.444 15.707 ( 1.266 -0.339 31.327) 31.354 15.951 ( 0.381 -0.219 16.630) 16.636 17.863 ( -0.407 0.080 1.183) 1.254 17.966 ( -2.392 0.363 -3.954) 4.635 18.343 ( 0.075 -0.021 -11.621) 11.621 19.070 ( 1.311 -0.477 -27.194) 27.229 19.878 ( -3.725 0.471 14.867) 15.334 20.208 ( -7.985 0.828 11.938) 14.386 ======================= Grid point 482 (150/215) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 5.935 9.552 13.496) 17.567 2.517 ( 4.538 -10.257 -1.264) 11.287 2.913 ( 5.831 1.633 7.639) 9.748 3.125 ( -2.063 -4.748 3.230) 6.102 3.465 ( -5.666 2.706 -9.394) 11.299 4.378 ( -0.374 3.625 3.260) 4.890 4.488 ( 2.350 -3.335 2.640) 4.859 4.694 ( -6.375 2.399 0.157) 6.813 5.012 ( -4.396 -1.888 0.756) 4.844 5.500 ( 2.925 2.862 46.740) 46.919 5.609 ( 3.963 -2.264 20.871) 21.364 5.839 ( 1.088 -0.028 -35.329) 35.346 6.671 ( -0.668 0.043 -14.004) 14.020 7.460 ( 0.047 -0.036 38.162) 38.162 9.212 ( -0.462 0.465 -46.636) 46.641 9.421 ( -0.643 -0.373 -22.383) 22.396 15.737 ( 1.701 -0.019 31.511) 31.557 15.961 ( 0.546 -0.200 16.592) 16.602 17.855 ( -0.402 0.001 0.941) 1.024 17.925 ( -1.735 0.053 -3.921) 4.288 18.345 ( 0.112 0.000 -11.754) 11.755 19.106 ( 2.248 -0.054 -27.403) 27.495 19.819 ( -2.280 0.007 13.880) 14.066 20.095 ( -3.669 0.157 13.191) 13.693 ======================= Grid point 483 (151/215) ======================= q-point: (-0.58 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.180 10.541 16.233) 19.356 2.608 ( 0.454 -4.621 -3.446) 5.782 3.037 ( 3.574 6.567 -3.622) 8.308 3.095 ( -2.038 -9.019 7.365) 11.821 3.387 ( -0.458 -0.050 -4.591) 4.614 4.300 ( -4.362 1.421 4.284) 6.277 4.510 ( -4.045 0.853 6.733) 7.901 4.634 ( 1.809 -1.839 -3.359) 4.235 4.909 ( -7.744 -3.086 4.859) 9.648 5.533 ( 2.527 2.363 50.162) 50.281 5.670 ( 1.612 0.640 14.592) 14.695 5.856 ( 0.881 0.586 -36.977) 36.992 6.648 ( -1.802 -0.318 -13.898) 14.017 7.441 ( -2.023 -0.013 37.820) 37.874 9.204 ( -0.141 0.292 -46.145) 46.146 9.387 ( -3.311 -0.769 -22.914) 23.165 15.768 ( 1.912 0.930 31.908) 31.978 15.973 ( 0.635 0.071 16.527) 16.539 17.849 ( -0.352 -0.217 0.606) 0.734 17.905 ( -0.762 -0.898 -4.122) 4.287 18.347 ( 0.135 0.064 -11.927) 11.928 19.152 ( 3.024 1.189 -27.721) 27.911 19.796 ( -0.678 -1.221 13.681) 13.752 20.071 ( 0.419 -1.927 13.185) 13.332 ======================= Grid point 484 (152/215) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -5.701 10.420 15.286) 19.358 2.622 ( -2.003 -2.736 -2.243) 4.066 2.879 ( -7.793 10.018 -5.165) 13.702 3.200 ( 2.253 -4.109 10.460) 11.462 3.453 ( 5.229 -3.889 -6.209) 9.001 4.202 ( -5.432 0.909 4.050) 6.836 4.449 ( -1.426 -0.889 8.892) 9.049 4.632 ( -5.031 -1.568 -0.685) 5.314 4.832 ( -2.070 -4.744 3.952) 6.512 5.559 ( 1.953 2.024 51.109) 51.186 5.653 ( -2.000 2.829 10.787) 11.329 5.864 ( 0.734 1.239 -36.532) 36.560 6.610 ( -2.677 -0.709 -13.979) 14.251 7.389 ( -3.525 0.037 37.186) 37.352 9.201 ( -0.156 -0.054 -43.979) 43.980 9.315 ( -4.878 -1.072 -25.016) 25.510 15.791 ( 1.793 2.276 32.381) 32.510 15.983 ( 0.616 0.539 16.339) 16.360 17.846 ( -0.253 -0.532 0.326) 0.673 17.911 ( 0.175 -2.211 -4.499) 5.016 18.349 ( 0.135 0.156 -12.103) 12.104 19.196 ( 3.177 3.060 -27.934) 28.280 19.812 ( 0.788 -2.996 14.499) 14.826 20.140 ( 4.148 -5.352 11.739) 13.552 ======================= Grid point 485 (153/215) ======================= q-point: (-0.42 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -10.143 9.334 13.261) 19.127 2.561 ( -6.683 -1.965 -5.441) 8.839 2.655 ( -7.031 12.103 3.101) 14.336 3.241 ( 1.410 0.249 11.709) 11.796 3.593 ( 5.483 -4.998 -7.560) 10.593 4.091 ( -5.706 0.600 6.605) 8.749 4.406 ( -3.661 4.500 8.806) 10.546 4.584 ( -1.167 -8.414 -0.080) 8.495 4.854 ( -0.392 -4.233 2.803) 5.092 5.565 ( -3.354 3.352 19.582) 20.148 5.579 ( 0.620 2.111 39.647) 39.708 5.866 ( 0.606 1.630 -34.905) 34.948 6.561 ( -3.217 -0.865 -14.322) 14.704 7.316 ( -4.047 0.090 36.354) 36.578 9.177 ( -3.697 -0.394 -29.327) 29.562 9.248 ( -1.922 -1.114 -39.339) 39.402 15.799 ( 1.376 3.619 32.724) 32.952 15.987 ( 0.487 1.058 16.015) 16.058 17.847 ( -0.120 -0.861 0.188) 0.889 17.941 ( 0.807 -3.434 -5.015) 6.131 18.349 ( 0.112 0.249 -12.216) 12.219 19.220 ( 2.541 5.037 -27.738) 28.306 19.867 ( 1.882 -4.989 16.010) 16.874 20.299 ( 7.043 -9.563 8.602) 14.665 ======================= Grid point 486 (154/215) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -11.862 8.262 12.310) 18.988 2.403 ( -9.966 -0.017 -16.629) 19.387 2.470 ( -3.993 11.243 19.977) 23.269 3.259 ( 1.748 2.969 11.919) 12.407 3.715 ( 3.889 -4.496 -6.195) 8.586 3.977 ( -6.587 -0.729 12.484) 14.134 4.319 ( -0.102 5.666 1.839) 5.958 4.638 ( -1.284 -5.993 -1.700) 6.360 4.877 ( 0.055 -5.299 5.378) 7.550 5.464 ( -4.253 1.972 11.142) 12.088 5.587 ( 1.181 2.419 46.135) 46.213 5.864 ( 0.460 1.752 -32.657) 32.707 6.507 ( -3.050 -0.783 -14.835) 15.166 7.244 ( -3.470 0.126 35.478) 35.647 9.088 ( -5.170 -0.326 -22.452) 23.042 9.248 ( 0.218 -1.191 -45.570) 45.586 15.790 ( 0.821 4.537 32.806) 33.128 15.985 ( 0.305 1.431 15.705) 15.773 17.853 ( -0.016 -1.075 0.132) 1.083 17.986 ( 0.990 -4.160 -5.593) 7.041 18.349 ( 0.074 0.311 -12.214) 12.218 19.217 ( 1.536 6.351 -27.256) 28.028 19.948 ( 2.204 -6.526 17.658) 18.954 20.527 ( 7.964 -13.496 3.988) 16.171 ======================= Grid point 487 (155/215) ======================= q-point: (-0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -8.595 7.518 13.182) 17.440 2.243 ( -6.367 -0.201 -16.027) 17.247 2.327 ( -2.580 11.184 24.805) 27.331 3.256 ( 1.055 5.358 12.352) 13.506 3.798 ( 1.546 -3.956 -0.717) 4.308 3.878 ( -4.299 -2.005 11.695) 12.620 4.330 ( 4.768 4.459 -1.822) 6.778 4.584 ( -6.080 0.205 -3.169) 6.859 4.945 ( 1.533 -7.525 5.802) 9.625 5.393 ( -2.433 -0.043 11.947) 12.192 5.586 ( 0.671 2.780 43.773) 43.866 5.859 ( 0.288 1.588 -29.537) 29.581 6.464 ( -1.920 -0.601 -15.318) 15.449 7.191 ( -1.984 0.134 34.795) 34.851 9.008 ( -3.230 -0.011 -21.675) 21.914 9.263 ( 0.274 -1.291 -45.592) 45.611 15.766 ( 0.318 4.770 32.654) 33.003 15.979 ( 0.136 1.542 15.631) 15.707 17.861 ( 0.025 -1.118 0.091) 1.122 18.033 ( 0.686 -4.232 -6.102) 7.458 18.348 ( 0.032 0.322 -12.084) 12.088 19.189 ( 0.629 6.640 -26.937) 27.750 20.034 ( 1.520 -7.065 19.136) 20.455 20.766 ( 5.658 -15.763 -1.192) 16.790 ======================= Grid point 488 (156/215) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -0.000 6.681 14.776) 16.216 2.191 ( 0.000 -1.514 -17.824) 17.888 2.217 ( -0.000 11.744 30.903) 33.059 3.223 ( -0.000 5.771 13.419) 14.607 3.828 ( 0.000 -3.491 15.309) 15.702 3.865 ( 0.000 -2.716 -3.797) 4.668 4.390 ( -0.000 3.066 -2.973) 4.271 4.471 ( -0.000 2.508 -2.709) 3.691 5.015 ( 0.000 -6.887 3.391) 7.676 5.375 ( 0.000 -0.757 11.897) 11.921 5.572 ( -0.000 2.849 43.399) 43.492 5.851 ( -0.000 1.260 -26.482) 26.512 6.449 ( 0.000 -0.472 -15.555) 15.562 7.171 ( -0.000 0.122 34.546) 34.546 8.977 ( -0.000 0.117 -21.450) 21.451 9.275 ( 0.000 -1.200 -45.356) 45.372 15.736 ( -0.000 4.301 32.383) 32.667 15.969 ( -0.000 1.421 15.877) 15.940 17.869 ( 0.000 -1.001 0.099) 1.006 18.069 ( 0.000 -3.761 -6.324) 7.358 18.346 ( -0.000 0.282 -11.867) 11.870 19.148 ( -0.000 5.995 -26.939) 27.598 20.099 ( 0.000 -6.501 20.122) 21.146 20.936 ( 0.000 -15.177 -4.927) 15.957 ======================= Grid point 493 (157/215) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 7.670 0.000 2.948) 8.217 2.381 ( 5.514 0.000 10.374) 11.748 2.931 ( 3.419 0.000 10.385) 10.933 3.086 ( -0.440 -0.000 0.351) 0.563 3.484 ( -6.326 -0.000 -10.313) 12.099 4.429 ( -5.375 -0.000 4.417) 6.957 4.439 ( 7.284 0.000 1.090) 7.365 4.714 ( -7.132 -0.000 -0.406) 7.143 4.996 ( -4.707 -0.000 2.458) 5.310 5.529 ( 2.001 0.000 51.647) 51.686 5.585 ( 5.790 0.000 14.594) 15.701 5.839 ( 1.239 0.000 -34.978) 35.000 6.671 ( -0.769 -0.000 -13.998) 14.020 7.460 ( 0.054 0.000 38.083) 38.083 9.216 ( -0.530 -0.000 -46.959) 46.962 9.418 ( -0.747 -0.000 -22.010) 22.023 15.736 ( 1.964 0.000 31.500) 31.561 15.960 ( 0.629 0.000 16.619) 16.631 17.855 ( -0.465 -0.000 0.942) 1.050 17.926 ( -2.002 -0.000 -3.940) 4.419 18.345 ( 0.129 0.000 -11.755) 11.756 19.105 ( 2.594 0.000 -27.376) 27.499 19.819 ( -2.634 -0.000 13.890) 14.138 20.096 ( -4.233 -0.000 13.156) 13.820 ======================= Grid point 494 (158/215) ======================= q-point: (-0.67 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 0.657 10.694 9.176) 14.106 2.515 ( 2.480 -8.029 3.414) 9.070 2.985 ( 0.848 -3.952 10.358) 11.119 3.116 ( 3.886 2.741 -5.414) 7.206 3.382 ( -3.580 -0.378 -6.286) 7.244 4.318 ( -5.651 0.858 4.814) 7.473 4.519 ( -2.836 0.280 6.805) 7.377 4.616 ( 0.705 -0.634 -4.975) 5.065 4.876 ( -8.110 -1.249 7.075) 10.834 5.559 ( 1.790 1.047 51.959) 52.001 5.674 ( 3.025 0.021 11.486) 11.878 5.862 ( 1.215 0.212 -37.066) 37.086 6.645 ( -1.992 -0.112 -13.845) 13.988 7.441 ( -2.005 -0.010 37.628) 37.682 9.208 ( -0.236 0.201 -46.862) 46.863 9.378 ( -3.503 -0.362 -22.120) 22.399 15.777 ( 2.439 0.340 31.990) 32.085 15.973 ( 0.802 -0.005 16.589) 16.608 17.847 ( -0.465 -0.078 0.512) 0.696 17.896 ( -1.290 -0.324 -4.189) 4.395 18.347 ( 0.171 0.024 -11.980) 11.981 19.164 ( 3.724 0.428 -27.778) 28.030 19.783 ( -1.323 -0.442 13.447) 13.519 20.052 ( -0.819 -0.686 13.376) 13.418 ======================= Grid point 495 (159/215) ======================= q-point: (-0.58 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -6.205 10.753 10.559) 16.298 2.570 ( -1.370 -4.638 0.888) 4.917 2.946 ( -7.145 -0.652 -0.058) 7.175 3.194 ( 6.371 4.009 0.841) 7.574 3.397 ( 3.226 -4.084 -2.149) 5.630 4.213 ( -5.225 0.648 5.756) 7.801 4.429 ( -3.733 -1.482 5.670) 6.949 4.640 ( -2.829 2.206 0.652) 3.646 4.763 ( -3.295 -4.665 5.963) 8.257 5.583 ( 1.639 1.204 51.417) 51.458 5.684 ( -1.417 1.415 9.833) 10.035 5.879 ( 0.953 0.737 -37.697) 37.717 6.602 ( -2.805 -0.414 -13.867) 14.154 7.389 ( -3.499 0.010 36.930) 37.095 9.204 ( -0.110 0.293 -45.644) 45.645 9.300 ( -5.153 -0.914 -23.318) 23.898 15.818 ( 2.505 1.342 32.685) 32.808 15.988 ( 0.855 0.237 16.452) 16.476 17.840 ( -0.410 -0.290 0.066) 0.506 17.885 ( -0.513 -1.315 -4.602) 4.814 18.350 ( 0.186 0.094 -12.260) 12.262 19.232 ( 4.243 1.797 -28.287) 28.660 19.778 ( -0.109 -1.669 13.752) 13.853 20.077 ( 2.092 -3.128 12.641) 13.189 ======================= Grid point 496 (160/215) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -10.851 9.911 10.047) 17.802 2.523 ( -7.028 -3.376 -3.696) 8.629 2.787 ( -6.704 5.794 1.194) 8.941 3.263 ( 4.188 3.526 7.894) 9.607 3.521 ( 5.373 -5.134 -4.615) 8.748 4.106 ( -5.656 1.328 8.069) 9.942 4.434 ( 1.503 -4.004 7.399) 8.546 4.511 ( -6.099 2.037 2.791) 7.010 4.787 ( -0.179 -4.816 2.988) 5.670 5.602 ( 1.061 1.600 47.242) 47.281 5.609 ( -4.372 2.103 11.437) 12.424 5.887 ( 0.744 1.228 -37.056) 37.084 6.549 ( -3.189 -0.644 -14.176) 14.544 7.317 ( -4.022 0.054 36.121) 36.345 9.177 ( -3.944 0.284 -28.691) 28.963 9.230 ( -1.722 -1.353 -40.056) 40.116 15.847 ( 2.114 2.763 33.322) 33.503 16.000 ( 0.749 0.694 16.125) 16.157 17.836 ( -0.292 -0.623 -0.241) 0.730 17.896 ( 0.131 -2.683 -5.078) 5.745 18.353 ( 0.167 0.195 -12.513) 12.515 19.287 ( 3.752 3.962 -28.515) 29.032 19.803 ( 0.838 -3.543 14.924) 15.362 20.175 ( 4.400 -7.245 10.483) 13.481 ======================= Grid point 497 (161/215) ======================= q-point: (-0.42 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -12.250 9.018 9.877) 18.137 2.372 ( -10.677 -3.104 -10.541) 15.322 2.634 ( -3.718 9.798 10.258) 14.664 3.309 ( 3.785 4.174 8.793) 10.444 3.648 ( 4.154 -4.883 -3.918) 7.514 3.982 ( -6.664 1.197 12.823) 14.501 4.404 ( -0.476 5.880 2.343) 6.348 4.534 ( 1.959 -7.671 1.737) 8.105 4.805 ( -1.359 -4.778 5.687) 7.551 5.491 ( -5.744 1.664 10.591) 12.162 5.618 ( 1.290 1.820 45.861) 45.916 5.889 ( 0.542 1.641 -35.715) 35.756 6.496 ( -2.926 -0.677 -14.694) 14.998 7.245 ( -3.454 0.101 35.325) 35.493 9.085 ( -4.969 -0.152 -22.357) 22.903 9.231 ( 0.120 -1.141 -45.905) 45.919 15.855 ( 1.400 4.169 33.634) 33.920 16.005 ( 0.506 1.212 15.667) 15.722 17.838 ( -0.149 -0.976 -0.326) 1.040 17.926 ( 0.497 -3.960 -5.585) 6.865 18.354 ( 0.117 0.296 -12.641) 12.645 19.309 ( 2.460 6.131 -28.099) 28.865 19.858 ( 1.326 -5.659 16.452) 17.449 20.339 ( 5.413 -12.010 6.881) 14.862 ======================= Grid point 498 (162/215) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -8.612 8.505 10.753) 16.191 2.215 ( -7.566 -2.921 -13.567) 15.806 2.504 ( -1.822 11.850 16.799) 20.638 3.337 ( 2.771 5.717 8.362) 10.502 3.739 ( 1.961 -4.175 1.236) 4.775 3.861 ( -4.993 -0.204 12.721) 13.667 4.397 ( 3.583 4.740 -1.892) 6.236 4.573 ( -2.465 -1.753 -1.590) 3.417 4.834 ( 0.227 -7.532 9.502) 12.127 5.393 ( -3.695 -0.015 12.167) 12.716 5.623 ( 0.751 2.271 42.882) 42.948 5.884 ( 0.309 1.854 -33.682) 33.734 6.455 ( -1.812 -0.596 -15.186) 15.306 7.193 ( -1.979 0.132 34.713) 34.770 9.008 ( -3.036 0.016 -21.688) 21.900 9.243 ( 0.192 -1.324 -45.954) 45.974 15.839 ( 0.617 5.101 33.535) 33.927 16.002 ( 0.225 1.567 15.312) 15.393 17.844 ( -0.041 -1.203 -0.266) 1.233 17.967 ( 0.457 -4.700 -6.033) 7.661 18.353 ( 0.055 0.360 -12.589) 12.594 19.292 ( 1.064 7.364 -27.399) 28.391 19.928 ( 1.056 -7.220 17.793) 19.231 20.533 ( 4.075 -15.869 2.738) 16.611 ======================= Grid point 499 (163/215) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -0.000 8.222 12.225) 14.732 2.161 ( 0.000 -2.629 -15.061) 15.288 2.397 ( -0.000 12.686 21.651) 25.094 3.317 ( -0.000 6.955 9.743) 11.970 3.777 ( 0.000 -3.355 15.075) 15.443 3.828 ( 0.000 -2.272 -0.862) 2.431 4.435 ( -0.000 3.009 -4.718) 5.596 4.507 ( -0.000 2.513 -0.178) 2.519 4.902 ( 0.000 -8.539 8.381) 11.965 5.362 ( 0.000 -0.914 12.603) 12.636 5.612 ( -0.000 2.628 42.028) 42.110 5.874 ( -0.000 1.811 -31.406) 31.458 6.442 ( 0.000 -0.544 -15.427) 15.437 7.173 ( -0.000 0.141 34.491) 34.491 8.979 ( -0.000 0.135 -21.483) 21.483 9.255 ( 0.000 -1.406 -45.731) 45.753 15.807 ( -0.000 5.298 33.150) 33.571 15.992 ( -0.000 1.657 15.293) 15.382 17.853 ( 0.000 -1.244 -0.129) 1.251 18.007 ( 0.000 -4.743 -6.266) 7.858 18.351 ( -0.000 0.367 -12.375) 12.381 19.247 ( -0.000 7.454 -26.980) 27.991 19.994 ( 0.000 -7.708 18.762) 20.284 20.696 ( 0.000 -17.360 -0.485) 17.366 ======================= Grid point 506 (164/215) ======================= q-point: (-0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -8.058 -0.000 5.289) 9.638 2.517 ( 0.203 0.000 5.992) 5.995 2.929 ( -4.616 -0.000 3.590) 5.848 3.248 ( 7.361 0.000 -8.639) 11.350 3.352 ( 1.154 0.000 3.150) 3.355 4.218 ( -5.119 -0.000 6.474) 8.253 4.417 ( -5.324 -0.000 4.289) 6.837 4.673 ( 3.158 0.000 -2.165) 3.829 4.713 ( -8.341 -0.000 9.930) 12.969 5.592 ( 1.488 0.000 51.570) 51.591 5.694 ( -1.168 -0.000 9.514) 9.586 5.884 ( 1.032 0.000 -38.063) 38.077 6.599 ( -2.855 -0.000 -13.825) 14.117 7.389 ( -3.489 -0.000 36.821) 36.986 9.206 ( 0.001 0.000 -46.908) 46.908 9.293 ( -5.350 -0.000 -22.033) 22.673 15.828 ( 2.776 0.000 32.803) 32.920 15.990 ( 0.947 0.000 16.513) 16.540 17.838 ( -0.456 -0.000 -0.012) 0.456 17.875 ( -0.793 -0.000 -4.671) 4.737 18.351 ( 0.206 0.000 -12.320) 12.322 19.245 ( 4.661 0.000 -28.428) 28.807 19.765 ( -0.414 -0.000 13.395) 13.401 20.054 ( 1.291 0.000 13.050) 13.114 ======================= Grid point 508 (165/215) ======================= q-point: (-0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -12.413 5.333 5.876) 14.732 2.472 ( -6.719 -2.818 0.318) 7.293 2.831 ( -4.910 1.046 1.720) 5.306 3.340 ( 5.260 6.228 -0.709) 8.183 3.441 ( 4.950 -5.807 1.447) 7.767 4.124 ( -5.138 0.854 9.315) 10.673 4.367 ( -0.640 -3.019 3.512) 4.675 4.569 ( -4.974 3.503 8.711) 10.625 4.723 ( 0.416 -3.395 0.857) 3.526 5.617 ( 1.480 0.524 48.970) 48.995 5.631 ( -5.081 0.784 9.697) 10.976 5.900 ( 0.827 0.453 -38.145) 38.156 6.543 ( -3.169 -0.239 -14.087) 14.441 7.318 ( -4.004 0.017 35.960) 36.183 9.184 ( -5.147 0.565 -24.649) 25.187 9.212 ( -0.554 -0.949 -44.135) 44.149 15.875 ( 2.574 1.038 33.720) 33.834 16.007 ( 0.930 0.238 16.284) 16.312 17.830 ( -0.384 -0.194 -0.471) 0.638 17.868 ( -0.344 -1.057 -5.192) 5.309 18.355 ( 0.202 0.075 -12.699) 12.701 19.328 ( 4.625 1.536 -29.168) 29.572 19.769 ( 0.269 -1.224 13.890) 13.946 20.100 ( 2.700 -2.778 12.069) 12.676 ======================= Grid point 509 (166/215) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -13.224 6.795 6.729) 16.319 2.322 ( -10.700 -3.385 -6.219) 12.831 2.739 ( -2.824 4.769 5.810) 8.030 3.383 ( 4.402 5.961 3.102) 8.033 3.573 ( 4.429 -5.522 0.606) 7.105 4.005 ( -6.577 1.725 13.248) 14.891 4.423 ( 1.933 -5.298 0.451) 5.658 4.494 ( 0.817 4.602 6.928) 8.357 4.739 ( -1.614 -4.247 4.136) 6.144 5.510 ( -6.724 0.935 10.906) 12.846 5.638 ( 1.320 0.985 45.296) 45.326 5.908 ( 0.636 0.978 -37.360) 37.378 6.488 ( -2.829 -0.390 -14.582) 14.859 7.247 ( -3.438 0.055 35.191) 35.358 9.084 ( -4.942 -0.018 -22.051) 22.598 9.217 ( 0.153 -0.720 -46.387) 46.393 15.904 ( 1.876 2.522 34.393) 34.537 16.019 ( 0.710 0.702 15.882) 15.913 17.827 ( -0.257 -0.523 -0.756) 0.954 17.878 ( 0.015 -2.547 -5.613) 6.163 18.357 ( 0.155 0.184 -12.989) 12.991 19.385 ( 3.428 4.046 -29.450) 29.924 19.793 ( 0.649 -3.119 15.094) 15.427 20.194 ( 3.362 -7.450 9.822) 12.778 ======================= Grid point 510 (167/215) ======================= q-point: (-0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -8.981 7.432 7.951) 14.111 2.166 ( -7.718 -3.539 -9.694) 12.887 2.652 ( -1.490 8.277 9.938) 13.019 3.418 ( 3.473 5.318 1.937) 6.640 3.679 ( 3.060 -4.146 4.679) 6.960 3.870 ( -6.077 1.230 14.809) 16.054 4.458 ( 2.193 2.888 -3.637) 5.136 4.541 ( 2.180 -1.689 2.985) 4.064 4.736 ( -1.802 -5.813 9.561) 11.334 5.393 ( -4.829 0.006 12.680) 13.568 5.650 ( 0.799 1.467 42.064) 42.097 5.909 ( 0.361 1.468 -36.109) 36.140 6.448 ( -1.721 -0.433 -15.067) 15.171 7.195 ( -1.972 0.095 34.636) 34.692 9.009 ( -2.908 0.032 -21.675) 21.869 9.226 ( 0.145 -0.993 -46.305) 46.315 15.907 ( 0.913 3.980 34.549) 34.790 16.022 ( 0.349 1.211 15.442) 15.493 17.829 ( -0.110 -0.901 -0.771) 1.191 17.903 ( 0.171 -3.917 -5.944) 7.121 18.358 ( 0.079 0.291 -13.072) 13.076 19.394 ( 1.614 6.399 -28.851) 29.596 19.836 ( 0.610 -5.257 16.423) 17.255 20.325 ( 2.648 -12.329 6.576) 14.222 ======================= Grid point 511 (168/215) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.000 8.046 9.397) 12.371 2.116 ( 0.000 -3.501 -11.638) 12.153 2.569 ( -0.000 10.582 13.589) 17.224 3.414 ( -0.000 6.120 2.671) 6.677 3.734 ( 0.000 -2.475 14.608) 14.816 3.803 ( 0.000 -1.137 5.772) 5.883 4.474 ( -0.000 2.316 -6.507) 6.907 4.542 ( -0.000 2.197 1.764) 2.818 4.777 ( 0.000 -8.465 11.839) 14.554 5.349 ( 0.000 -0.829 13.397) 13.423 5.645 ( -0.000 1.929 40.999) 41.045 5.900 ( -0.000 1.777 -34.784) 34.829 6.434 ( 0.000 -0.470 -15.298) 15.305 7.175 ( -0.000 0.122 34.437) 34.437 8.980 ( -0.000 0.117 -21.515) 21.516 9.236 ( 0.000 -1.235 -46.123) 46.139 15.882 ( -0.000 4.925 34.192) 34.545 16.015 ( -0.000 1.524 15.200) 15.276 17.835 ( 0.000 -1.152 -0.578) 1.289 17.937 ( 0.000 -4.682 -6.127) 7.711 18.356 ( -0.000 0.356 -12.916) 12.921 19.357 ( -0.000 7.510 -27.945) 28.936 19.886 ( 0.000 -6.790 17.347) 18.628 20.454 ( 0.000 -15.495 3.769) 15.947 ======================= Grid point 520 (169/215) ======================= q-point: (-0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -13.915 -0.000 4.921) 14.760 2.293 ( -10.421 -0.000 -3.969) 11.151 2.773 ( -2.196 -0.000 4.487) 4.995 3.456 ( 3.175 0.000 -10.969) 11.419 3.504 ( 5.653 0.000 14.006) 15.104 4.020 ( -6.585 -0.000 13.688) 15.190 4.379 ( 3.053 0.000 1.702) 3.495 4.538 ( 0.126 0.000 7.615) 7.616 4.701 ( -1.595 -0.000 2.374) 2.860 5.517 ( -7.060 -0.000 11.126) 13.177 5.646 ( 1.320 0.000 45.071) 45.090 5.916 ( 0.677 0.000 -37.873) 37.879 6.485 ( -2.792 -0.000 -14.540) 14.805 7.247 ( -3.432 -0.000 35.137) 35.304 9.084 ( -4.967 -0.000 -21.857) 22.414 9.212 ( 0.196 0.000 -46.646) 46.647 15.923 ( 2.063 0.000 34.712) 34.773 16.024 ( 0.800 0.000 16.012) 16.032 17.823 ( -0.288 -0.000 -0.843) 0.891 17.858 ( -0.206 -0.000 -5.732) 5.736 18.359 ( 0.170 0.000 -13.127) 13.128 19.416 ( 3.902 0.000 -30.166) 30.418 19.770 ( 0.416 0.000 14.183) 14.189 20.138 ( 2.494 0.000 11.461) 11.729 ======================= Grid point 522 (170/215) ======================= q-point: (-0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -9.450 3.240 5.703) 11.503 2.124 ( -7.573 -1.854 -6.793) 10.341 2.734 ( -1.021 2.946 6.336) 7.061 3.484 ( 2.053 3.259 -7.800) 8.699 3.625 ( 5.181 -2.793 12.200) 13.546 3.888 ( -6.849 0.837 16.571) 17.950 4.458 ( 3.910 -1.308 -2.376) 4.759 4.557 ( 2.418 2.516 5.085) 6.167 4.668 ( -2.834 -3.281 7.211) 8.414 5.393 ( -5.497 0.008 13.066) 14.175 5.664 ( 0.811 0.504 41.630) 41.640 5.924 ( 0.405 0.555 -37.134) 37.141 6.443 ( -1.670 -0.158 -14.995) 15.089 7.196 ( -1.966 0.034 34.588) 34.644 9.009 ( -2.853 0.016 -21.650) 21.838 9.216 ( 0.130 -0.369 -46.529) 46.531 15.948 ( 1.105 1.517 35.281) 35.331 16.035 ( 0.448 0.465 15.693) 15.706 17.820 ( -0.149 -0.262 -1.063) 1.105 17.862 ( -0.052 -1.632 -6.015) 6.232 18.361 ( 0.095 0.114 -13.385) 13.385 19.463 ( 2.115 2.749 -30.604) 30.800 19.784 ( 0.337 -1.796 14.961) 15.072 20.195 ( 1.689 -4.975 10.073) 11.361 ======================= Grid point 523 (171/215) ======================= q-point: (-0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -0.000 5.475 6.819) 8.745 2.067 ( 0.000 -2.971 -8.407) 8.917 2.692 ( -0.000 6.077 8.162) 10.176 3.484 ( -0.000 3.391 -6.599) 7.419 3.707 ( 0.000 -1.276 14.118) 14.176 3.795 ( 0.000 -0.052 14.920) 14.920 4.500 ( -0.000 1.250 -7.855) 7.953 4.571 ( -0.000 1.854 3.707) 4.145 4.669 ( 0.000 -6.085 12.864) 14.230 5.340 ( 0.000 -0.496 14.045) 14.054 5.667 ( -0.000 1.006 40.365) 40.378 5.922 ( -0.000 1.089 -36.478) 36.494 6.429 ( 0.000 -0.271 -15.202) 15.205 7.177 ( -0.000 0.070 34.397) 34.397 8.982 ( -0.000 0.067 -21.539) 21.539 9.221 ( 0.000 -0.720 -46.419) 46.425 15.941 ( -0.000 3.012 35.194) 35.322 16.034 ( -0.000 0.950 15.461) 15.490 17.822 ( 0.000 -0.624 -1.050) 1.221 17.879 ( 0.000 -3.113 -6.067) 6.819 18.360 ( -0.000 0.225 -13.362) 13.364 19.453 ( -0.000 5.309 -29.946) 30.413 19.808 ( 0.000 -3.802 15.899) 16.347 20.267 ( 0.000 -9.820 7.953) 12.637 ======================= Grid point 535 (172/215) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.000 0.000 5.632) 5.632 2.043 ( -0.000 0.000 -6.940) 6.940 2.737 ( -0.000 0.000 6.230) 6.230 3.509 ( -0.000 0.000 -11.280) 11.280 3.698 ( -0.000 0.000 13.908) 13.908 3.796 ( -0.000 0.000 19.631) 19.631 4.509 ( -0.000 0.000 -8.358) 8.358 4.595 ( -0.000 0.000 3.737) 3.737 4.612 ( 0.000 -0.000 13.725) 13.725 5.336 ( -0.000 0.000 14.298) 14.298 5.674 ( -0.000 0.000 40.164) 40.164 5.930 ( -0.000 0.000 -36.963) 36.963 6.427 ( -0.000 0.000 -15.167) 15.167 7.177 ( -0.000 0.000 34.383) 34.383 8.982 ( -0.000 0.000 -21.548) 21.548 9.216 ( -0.000 0.000 -46.530) 46.530 15.964 ( -0.000 0.000 35.635) 35.635 16.041 ( -0.000 0.000 15.620) 15.620 17.818 ( -0.000 0.000 -1.134) 1.134 17.855 ( -0.000 0.000 -6.192) 6.192 18.362 ( -0.000 0.000 -13.540) 13.540 19.494 ( -0.000 0.000 -31.191) 31.191 19.780 ( -0.000 0.000 14.809) 14.809 20.192 ( -0.000 0.000 10.438) 10.438 ======================= Grid point 604 (173/215) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.000 0.000 18.204) 18.204 1.798 ( 0.000 0.000 -19.598) 19.598 2.882 ( 0.000 0.000 38.619) 38.619 3.312 ( 0.000 0.000 -0.413) 0.413 3.847 ( 0.000 0.000 -0.376) 0.376 4.100 ( 0.000 0.000 -23.626) 23.626 4.154 ( 0.000 0.000 9.539) 9.539 4.286 ( 0.000 0.000 -3.888) 3.888 5.063 ( 0.000 0.000 -0.796) 0.796 5.164 ( 0.000 0.000 -14.134) 14.134 5.692 ( 0.000 0.000 18.055) 18.055 6.089 ( 0.000 0.000 -19.546) 19.546 6.978 ( 0.000 0.000 65.425) 65.425 7.859 ( 0.000 0.000 32.083) 32.083 8.243 ( 0.000 0.000 -56.966) 56.966 8.472 ( 0.000 0.000 -27.396) 27.396 16.182 ( 0.000 0.000 15.008) 15.008 16.231 ( 0.000 0.000 8.527) 8.527 17.916 ( 0.000 0.000 2.667) 2.667 17.996 ( 0.000 0.000 -5.486) 5.486 18.238 ( 0.000 0.000 3.157) 3.157 18.514 ( 0.000 0.000 -22.578) 22.578 20.608 ( 0.000 0.000 17.966) 17.966 20.935 ( 0.000 0.000 -13.875) 13.875 ======================= Grid point 605 (174/215) ======================= q-point: ( 0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 6.784 -1.202 17.165) 18.496 1.852 ( 5.232 -0.614 -18.875) 19.596 2.903 ( 2.444 0.368 37.792) 37.873 3.329 ( 1.731 -0.057 -0.311) 1.760 3.810 ( -3.639 0.319 -0.741) 3.728 4.030 ( -6.355 -2.747 -18.398) 19.658 4.204 ( 5.219 0.144 9.760) 11.068 4.380 ( 7.513 -0.969 -9.123) 11.858 5.041 ( -1.769 1.184 -0.584) 2.208 5.151 ( -1.235 0.484 -14.717) 14.776 5.713 ( 2.215 -0.016 18.255) 18.389 6.111 ( 2.277 0.084 -19.406) 19.539 6.969 ( -0.819 0.313 65.319) 65.324 7.882 ( 2.474 -0.038 31.901) 31.996 8.236 ( -0.511 0.456 -56.576) 56.580 8.503 ( 3.238 -0.001 -27.556) 27.745 16.185 ( -0.056 -0.972 14.855) 14.886 16.232 ( -0.093 -0.353 8.588) 8.595 17.915 ( 0.016 0.384 2.603) 2.631 17.991 ( -0.244 0.791 -5.166) 5.231 18.237 ( -0.149 -0.215 3.297) 3.308 18.519 ( -0.129 -1.409 -22.753) 22.797 20.570 ( -3.134 2.313 17.317) 17.749 20.879 ( -4.669 2.988 -12.726) 13.881 ======================= Grid point 606 (175/215) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 10.140 -2.806 14.658) 18.043 1.984 ( 7.384 -2.172 -16.745) 18.430 2.966 ( 4.790 1.271 35.338) 35.684 3.372 ( 2.776 0.411 0.546) 2.858 3.716 ( -5.702 0.951 -1.110) 5.887 3.945 ( -4.863 -4.050 -16.943) 18.086 4.334 ( 8.269 -0.612 9.823) 12.854 4.538 ( 7.915 -1.843 -10.697) 13.434 4.983 ( -2.988 2.319 -0.095) 3.783 5.113 ( -2.128 1.012 -16.422) 16.590 5.768 ( 3.350 -0.362 18.674) 18.975 6.166 ( 3.563 0.142 -19.086) 19.417 6.945 ( -1.359 0.466 65.061) 65.077 7.946 ( 4.133 -0.189 30.669) 30.947 8.219 ( -0.737 0.971 -54.791) 54.804 8.586 ( 5.489 0.124 -27.994) 28.527 16.194 ( -0.107 -1.770 14.476) 14.584 16.233 ( -0.122 -0.734 8.745) 8.777 17.910 ( -0.063 0.776 2.361) 2.487 17.975 ( -0.568 1.508 -4.294) 4.586 18.236 ( -0.229 -0.425 3.613) 3.646 18.529 ( -0.306 -2.350 -23.191) 23.312 20.467 ( -5.255 3.909 15.654) 16.969 20.731 ( -7.657 4.940 -9.817) 13.395 ======================= Grid point 607 (176/215) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 10.285 -4.508 11.841) 16.319 2.144 ( 7.052 -4.584 -13.798) 16.159 3.046 ( 4.922 3.475 30.689) 31.275 3.416 ( 2.405 1.487 1.068) 3.023 3.593 ( -6.770 0.104 1.443) 6.923 3.927 ( -0.061 -4.593 -18.269) 18.837 4.502 ( 8.539 -1.074 8.751) 12.274 4.677 ( 5.246 -0.111 -7.556) 9.199 4.910 ( -2.425 2.387 -0.067) 3.403 5.068 ( -1.455 0.771 -19.597) 19.666 5.835 ( 3.173 -0.886 19.065) 19.348 6.233 ( 3.549 0.163 -18.763) 19.096 6.915 ( -1.465 0.413 64.767) 64.785 8.030 ( 4.232 -0.713 24.736) 25.106 8.198 ( -0.336 1.700 -48.176) 48.207 8.695 ( 6.114 0.358 -28.542) 29.191 16.206 ( -0.152 -2.181 14.046) 14.215 16.238 ( -0.095 -1.031 8.938) 8.997 17.901 ( -0.220 1.072 1.881) 2.177 17.948 ( -0.892 1.946 -3.114) 3.779 18.235 ( -0.226 -0.544 3.907) 3.951 18.539 ( -0.498 -2.571 -23.690) 23.835 20.331 ( -5.782 4.349 13.644) 15.444 20.543 ( -8.155 5.325 -6.374) 11.640 ======================= Grid point 608 (177/215) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 8.795 -5.417 9.931) 14.329 2.308 ( 6.080 -6.417 -11.236) 14.297 3.071 ( 1.086 5.670 22.203) 22.941 3.394 ( -3.290 7.123 -10.751) 13.310 3.527 ( -0.550 -6.431 19.544) 20.583 4.007 ( 4.713 -4.175 -19.275) 20.277 4.619 ( 1.866 0.267 6.203) 6.483 4.706 ( 0.326 4.174 -3.086) 5.201 4.892 ( 2.087 0.498 -0.231) 2.158 5.075 ( 2.209 -1.250 -21.646) 21.794 5.893 ( 2.187 -1.196 19.270) 19.430 6.290 ( 2.570 0.163 -18.511) 18.689 6.887 ( -1.163 0.244 64.497) 64.508 8.101 ( 1.927 -1.882 -4.157) 4.953 8.189 ( 1.402 2.811 -18.696) 18.958 8.798 ( 5.072 0.504 -29.006) 29.450 16.218 ( -0.171 -2.007 13.705) 13.853 16.244 ( -0.060 -1.038 9.102) 9.161 17.888 ( -0.319 1.083 1.234) 1.673 17.916 ( -0.975 1.848 -1.956) 2.862 18.235 ( -0.170 -0.493 4.064) 4.097 18.546 ( -0.568 -2.099 -24.051) 24.149 20.202 ( -4.745 3.610 11.929) 13.336 20.369 ( -6.464 4.279 -3.512) 8.511 ======================= Grid point 609 (178/215) ======================= q-point: ( 0.42 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 6.048 -4.503 9.499) 12.128 2.448 ( 3.882 -5.160 -8.904) 10.999 3.028 ( -0.810 4.049 13.273) 13.901 3.255 ( -5.187 5.557 -9.529) 12.190 3.598 ( 2.358 -4.335 24.388) 24.882 4.134 ( 5.239 -2.945 -20.123) 21.001 4.588 ( -1.933 1.697 3.161) 4.075 4.652 ( -2.902 3.722 -3.606) 5.940 4.963 ( 4.214 -0.178 1.207) 4.387 5.137 ( 2.506 -1.402 -19.150) 19.364 5.931 ( 1.036 -0.915 19.204) 19.254 6.324 ( 1.239 0.123 -18.319) 18.361 6.869 ( -0.619 0.090 64.270) 64.273 8.123 ( -0.289 -1.308 -49.341) 49.360 8.210 ( 2.184 1.877 26.855) 27.009 8.869 ( 2.825 0.375 -29.286) 29.424 16.227 ( -0.121 -1.208 13.506) 13.560 16.250 ( -0.032 -0.655 9.204) 9.228 17.876 ( -0.234 0.690 0.653) 0.978 17.889 ( -0.650 1.132 -1.123) 1.722 18.236 ( -0.091 -0.286 4.104) 4.115 18.549 ( -0.389 -1.156 -24.207) 24.237 20.111 ( -2.622 2.012 10.848) 11.340 20.251 ( -3.480 2.331 -1.765) 4.546 ======================= Grid point 610 (179/215) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 334 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 0.000 -0.000 9.681) 9.681 2.504 ( 0.000 -0.000 -6.755) 6.755 3.008 ( 0.000 -0.000 7.771) 7.771 3.172 ( 0.000 0.000 -7.957) 7.957 3.641 ( 0.000 -0.000 25.906) 25.906 4.203 ( 0.000 -0.000 -20.865) 20.865 4.573 ( 0.001 -0.001 -1.082) 1.082 4.587 ( -0.001 0.001 -0.187) 0.187 5.008 ( 0.000 -0.000 1.108) 1.108 5.168 ( 0.000 0.000 -17.766) 17.766 5.944 ( 0.000 -0.000 19.093) 19.093 6.335 ( 0.000 -0.000 -18.234) 18.234 6.863 ( 0.000 -0.000 64.170) 64.170 8.124 ( 0.000 0.000 -57.794) 57.794 8.226 ( 0.000 -0.000 35.428) 35.428 8.894 ( 0.000 0.000 -29.375) 29.375 16.231 ( 0.000 -0.000 13.441) 13.441 16.252 ( 0.000 -0.000 9.238) 9.238 17.871 ( 0.000 -0.000 0.413) 0.413 17.879 ( 0.000 -0.000 -0.818) 0.818 18.236 ( 0.000 -0.000 4.105) 4.105 18.549 ( 0.000 -0.000 -24.237) 24.237 20.079 ( 0.000 -0.000 10.486) 10.486 20.210 ( 0.000 0.000 -1.195) 1.195 ======================= Grid point 618 (180/215) ======================= q-point: ( 0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 9.951 0.000 14.867) 17.890 1.968 ( 6.900 0.000 -16.809) 18.170 2.976 ( 5.289 0.000 37.889) 38.257 3.372 ( 2.601 0.000 3.168) 4.099 3.730 ( -5.029 -0.000 -3.800) 6.303 3.910 ( -4.951 -0.000 -19.470) 20.090 4.330 ( 8.132 0.000 9.545) 12.539 4.524 ( 8.066 0.000 -10.642) 13.354 5.001 ( -2.978 -0.000 -0.379) 3.002 5.120 ( -2.156 -0.000 -15.570) 15.718 5.765 ( 3.215 0.000 18.957) 19.227 6.167 ( 3.552 0.000 -19.189) 19.515 6.948 ( -1.424 -0.000 65.173) 65.189 7.945 ( 4.046 0.000 30.171) 30.441 8.226 ( -0.668 -0.000 -54.298) 54.302 8.587 ( 5.546 0.000 -27.957) 28.501 16.181 ( -0.029 -0.000 14.841) 14.841 16.228 ( -0.127 -0.000 8.526) 8.527 17.916 ( -0.065 -0.000 2.570) 2.571 17.986 ( -0.593 -0.000 -4.544) 4.583 18.233 ( -0.220 -0.000 3.082) 3.090 18.511 ( -0.138 -0.000 -22.637) 22.637 20.495 ( -5.543 -0.000 15.937) 16.874 20.768 ( -8.071 -0.000 -10.325) 13.105 ======================= Grid point 619 (181/215) ======================= q-point: ( 0.17 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 10.227 -1.598 11.579) 15.531 2.097 ( 6.253 -1.771 -13.250) 14.758 3.089 ( 6.944 1.934 36.228) 36.938 3.407 ( 0.315 -1.267 7.655) 7.765 3.621 ( -5.880 2.199 -6.295) 8.890 3.871 ( 0.266 -2.594 -22.380) 22.532 4.493 ( 8.747 -0.261 8.229) 12.012 4.667 ( 6.576 -0.641 -9.178) 11.308 4.938 ( -2.904 1.188 -0.250) 3.147 5.077 ( -2.039 0.348 -17.635) 17.756 5.826 ( 3.024 -0.336 19.890) 20.122 6.235 ( 3.527 0.057 -19.032) 19.356 6.919 ( -1.598 0.151 64.921) 64.941 8.022 ( 3.816 -0.301 21.491) 21.829 8.216 ( -0.006 0.667 -44.934) 44.939 8.698 ( 6.187 0.130 -28.465) 29.130 16.184 ( 0.098 -0.770 14.568) 14.588 16.228 ( -0.045 -0.361 8.582) 8.589 17.912 ( -0.288 0.371 2.270) 2.318 17.968 ( -1.056 0.713 -3.502) 3.727 18.230 ( -0.170 -0.191 3.133) 3.144 18.513 ( -0.069 -0.975 -22.836) 22.857 20.375 ( -6.498 1.587 14.004) 15.520 20.596 ( -9.122 1.953 -7.042) 11.689 ======================= Grid point 620 (182/215) ======================= q-point: ( 0.25 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 9.527 -2.773 8.571) 13.111 2.229 ( 5.828 -4.091 -9.863) 12.165 3.163 ( 3.004 6.780 27.682) 28.658 3.425 ( -0.500 -6.937 16.722) 18.111 3.485 ( -5.495 4.724 -9.619) 12.043 3.953 ( 5.685 -3.044 -22.675) 23.575 4.620 ( 3.192 -0.056 6.615) 7.346 4.744 ( 0.949 1.093 -5.516) 5.703 4.905 ( 1.391 1.206 -0.613) 1.941 5.064 ( 1.307 -0.405 -19.990) 20.037 5.879 ( 2.255 -0.709 20.509) 20.645 6.292 ( 2.549 0.090 -18.904) 19.075 6.890 ( -1.308 0.133 64.631) 64.644 8.079 ( 1.555 -1.080 -5.375) 5.699 8.222 ( 1.567 1.635 -17.478) 17.624 8.804 ( 5.040 0.288 -28.908) 29.346 16.195 ( 0.329 -1.129 14.174) 14.222 16.232 ( 0.130 -0.603 8.735) 8.756 17.900 ( -0.546 0.594 1.673) 1.858 17.938 ( -1.410 1.069 -2.328) 2.924 18.229 ( -0.038 -0.282 3.356) 3.368 18.521 ( 0.097 -1.253 -23.218) 23.252 20.244 ( -5.856 2.088 12.207) 13.699 20.419 ( -7.851 2.493 -4.062) 9.184 ======================= Grid point 621 (183/215) ======================= q-point: ( 0.33 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 8.148 -2.529 7.398) 11.292 2.371 ( 5.621 -5.061 -7.774) 10.846 3.108 ( -2.163 6.779 15.043) 16.641 3.323 ( -7.190 3.249 -6.734) 10.373 3.525 ( 3.954 -5.293 22.913) 23.846 4.096 ( 6.798 -2.276 -22.497) 23.612 4.603 ( -3.147 0.559 4.496) 5.516 4.695 ( -3.972 2.192 -4.817) 6.617 4.967 ( 4.392 0.635 0.169) 4.441 5.121 ( 3.284 -0.886 -18.521) 18.831 5.919 ( 1.528 -0.678 20.265) 20.334 6.326 ( 1.194 0.101 -18.641) 18.680 6.870 ( -0.720 0.044 64.323) 64.327 8.100 ( -0.046 -1.587 -33.891) 33.928 8.241 ( 1.598 2.043 11.383) 11.674 8.874 ( 2.613 0.271 -29.180) 29.298 16.212 ( 0.634 -0.901 13.770) 13.814 16.241 ( 0.326 -0.547 8.972) 8.995 17.884 ( -0.660 0.491 0.955) 1.261 17.904 ( -1.370 0.837 -1.352) 2.099 18.232 ( 0.102 -0.210 3.688) 3.695 18.534 ( 0.420 -0.867 -23.688) 23.707 20.137 ( -3.998 1.494 10.994) 11.793 20.281 ( -5.086 1.757 -2.073) 5.767 ======================= Grid point 622 (184/215) ======================= q-point: ( 0.42 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 4.372 0.136 8.331) 9.409 2.487 ( 3.314 -2.153 -6.112) 7.278 3.032 ( -1.536 3.110 7.615) 8.368 3.183 ( -4.960 1.319 -6.995) 8.676 3.621 ( 2.556 -2.584 26.508) 26.756 4.205 ( 2.983 0.227 -22.100) 22.302 4.552 ( -1.734 -1.870 1.266) 2.847 4.600 ( -4.033 0.897 -2.608) 4.886 5.013 ( 0.463 0.650 1.342) 1.561 5.169 ( 1.266 0.190 -17.447) 17.494 5.944 ( 0.787 -0.002 19.136) 19.152 6.335 ( -0.093 0.036 -18.219) 18.220 6.863 ( -0.070 -0.034 64.072) 64.072 8.109 ( -0.119 -1.679 -46.886) 46.916 8.241 ( -0.308 1.737 24.455) 24.519 8.894 ( -0.318 -0.005 -29.276) 29.278 16.230 ( 0.925 -0.061 13.420) 13.452 16.251 ( 0.468 -0.125 9.266) 9.279 17.871 ( -0.545 0.006 0.417) 0.686 17.879 ( -0.894 0.020 -0.826) 1.218 18.236 ( 0.222 0.000 4.105) 4.111 18.549 ( 0.878 -0.009 -24.228) 24.244 20.079 ( -1.527 0.033 10.498) 10.608 20.210 ( -1.737 0.078 -1.219) 2.123 ======================= Grid point 623 (185/215) ======================= q-point: (-0.50 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -3.273 5.315 9.803) 11.622 2.509 ( -1.016 3.053 -7.448) 8.114 2.996 ( -1.062 -0.284 8.420) 8.492 3.174 ( 2.338 -5.343 -8.367) 10.199 3.644 ( -0.213 1.922 25.533) 25.606 4.180 ( -3.499 3.485 -18.857) 19.493 4.551 ( -0.541 -3.400 0.609) 3.496 4.594 ( 1.835 -3.985 -2.914) 5.267 4.972 ( -3.878 0.960 2.932) 4.956 5.160 ( -1.467 1.664 -19.002) 19.131 5.945 ( -0.481 0.906 18.086) 18.115 6.323 ( -1.319 -0.104 -17.902) 17.951 6.868 ( 0.510 -0.123 64.010) 64.012 8.122 ( 0.315 -1.573 -53.036) 53.060 8.204 ( -2.613 1.065 30.450) 30.580 8.864 ( -3.070 -0.380 -29.218) 29.381 16.245 ( 1.056 1.181 13.162) 13.257 16.258 ( 0.497 0.545 9.541) 9.569 17.865 ( -0.307 -0.714 0.303) 0.835 17.873 ( -0.190 -1.118 -0.873) 1.431 18.240 ( 0.313 0.285 4.573) 4.593 18.566 ( 1.293 1.126 -24.789) 24.848 20.082 ( 1.024 -1.977 10.702) 10.931 20.217 ( 1.616 -2.248 -1.452) 3.126 ======================= Grid point 624 (186/215) ======================= q-point: (-0.42 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -8.111 7.165 10.573) 15.130 2.403 ( -6.027 6.440 -11.364) 14.385 3.004 ( -0.348 -3.430 16.785) 17.135 3.286 ( 3.118 -7.560 -10.722) 13.484 3.610 ( 0.380 5.043 21.614) 22.198 4.071 ( -4.025 4.604 -16.507) 17.603 4.598 ( 1.304 -3.974 3.349) 5.358 4.637 ( -1.768 -4.075 -1.140) 4.586 4.889 ( -3.052 0.142 1.712) 3.502 5.101 ( -2.686 2.364 -22.306) 22.591 5.912 ( -2.117 1.342 17.721) 17.897 6.287 ( -2.614 -0.204 -17.925) 18.115 6.883 ( 0.979 -0.300 64.141) 64.149 8.130 ( -3.319 1.894 13.137) 13.681 8.145 ( -0.300 -2.917 -36.086) 36.205 8.790 ( -5.117 -0.586 -28.992) 29.446 16.251 ( 0.926 2.390 13.007) 13.257 16.261 ( 0.417 1.211 9.727) 9.810 17.870 ( -0.049 -1.360 0.639) 1.503 17.887 ( 0.357 -2.151 -1.474) 2.631 18.243 ( 0.360 0.571 4.988) 5.034 18.579 ( 1.430 2.341 -25.176) 25.325 20.144 ( 3.206 -4.154 11.572) 12.706 20.301 ( 4.552 -4.881 -2.794) 7.236 ======================= Grid point 625 (187/215) ======================= q-point: (-0.33 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -10.575 6.532 11.815) 17.149 2.221 ( -8.368 5.667 -13.914) 17.198 3.000 ( -2.872 -2.703 24.200) 24.519 3.357 ( -0.994 -5.721 -8.475) 10.273 3.627 ( 5.327 3.995 13.341) 14.911 3.995 ( 0.028 4.715 -14.641) 15.382 4.524 ( -7.848 1.827 8.264) 11.542 4.653 ( -2.108 -3.815 -3.124) 5.363 4.880 ( 0.940 -1.697 -0.410) 1.983 5.061 ( 0.055 0.098 -22.949) 22.950 5.850 ( -3.438 1.144 17.776) 18.141 6.230 ( -3.586 -0.242 -18.268) 18.618 6.907 ( 1.246 -0.560 64.381) 64.396 8.040 ( -4.906 0.492 30.967) 31.357 8.171 ( 0.854 -1.810 -54.461) 54.498 8.688 ( -5.988 -0.495 -28.582) 29.207 16.245 ( 0.626 3.118 13.057) 13.438 16.257 ( 0.283 1.595 9.719) 9.853 17.881 ( 0.060 -1.633 1.213) 2.035 17.914 ( 0.580 -2.715 -2.467) 3.714 18.245 ( 0.349 0.773 5.176) 5.245 18.583 ( 1.200 3.368 -25.156) 25.409 20.255 ( 4.517 -5.967 13.043) 15.038 20.450 ( 6.461 -7.252 -5.245) 11.038 ======================= Grid point 626 (188/215) ======================= q-point: (-0.25 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -10.691 4.950 13.953) 18.261 2.026 ( -8.649 3.425 -16.252) 18.726 2.947 ( -3.662 -1.061 29.555) 29.800 3.350 ( -2.345 -2.658 -5.950) 6.926 3.724 ( 6.562 2.095 7.026) 9.839 4.008 ( 4.538 4.243 -12.649) 14.092 4.352 ( -8.374 2.006 9.800) 13.045 4.567 ( -6.962 1.707 -9.654) 12.024 4.939 ( 2.708 -3.592 0.361) 4.513 5.092 ( 1.930 -1.690 -19.032) 19.204 5.775 ( -3.711 0.581 17.969) 18.357 6.163 ( -3.589 -0.252 -18.798) 19.139 6.936 ( 1.188 -0.788 64.692) 64.707 7.949 ( -4.322 0.206 31.892) 32.184 8.200 ( 0.868 -1.552 -56.026) 56.054 8.583 ( -5.335 -0.223 -28.054) 28.558 16.230 ( 0.340 3.246 13.442) 13.832 16.249 ( 0.159 1.498 9.445) 9.564 17.894 ( 0.037 -1.509 1.791) 2.342 17.944 ( 0.484 -2.671 -3.621) 4.526 18.245 ( 0.279 0.811 4.994) 5.067 18.575 ( 0.746 3.889 -24.686) 25.002 20.387 ( 4.454 -6.827 14.896) 16.981 20.632 ( 6.514 -8.567 -8.455) 13.687 ======================= Grid point 627 (189/215) ======================= q-point: (-0.17 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -7.086 3.317 16.300) 18.080 1.868 ( -5.800 1.573 -18.131) 19.101 2.896 ( -2.135 -0.371 33.292) 33.363 3.325 ( -1.504 -0.883 -4.881) 5.183 3.818 ( 4.695 1.990 5.065) 7.187 4.085 ( 6.328 3.731 -11.574) 13.708 4.207 ( -5.396 1.149 7.459) 9.278 4.406 ( -7.925 2.579 -10.589) 13.475 5.009 ( 1.807 -3.254 -0.070) 3.722 5.136 ( 1.311 -1.455 -16.409) 16.526 5.713 ( -2.436 0.034 18.115) 18.278 6.109 ( -2.286 -0.229 -19.292) 19.429 6.960 ( 0.745 -0.836 65.023) 65.032 7.883 ( -2.515 0.090 32.052) 32.151 8.224 ( 0.544 -1.236 -56.732) 56.748 8.503 ( -3.166 -0.002 -27.587) 27.768 16.213 ( 0.129 2.796 14.006) 14.283 16.242 ( 0.082 1.118 9.090) 9.159 17.904 ( -0.007 -1.158 2.218) 2.502 17.969 ( 0.241 -2.197 -4.627) 5.127 18.244 ( 0.157 0.676 4.465) 4.518 18.557 ( 0.298 3.692 -23.952) 24.237 20.506 ( 2.824 -6.369 16.627) 18.028 20.797 ( 4.209 -8.184 -11.506) 14.734 ======================= Grid point 628 (190/215) ======================= q-point: (-0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -0.000 2.121 17.689) 17.815 1.804 ( -0.000 0.776 -19.137) 19.153 2.878 ( 0.000 -0.335 36.088) 36.090 3.313 ( 0.000 -0.075 -2.930) 2.930 3.852 ( -0.000 1.337 2.896) 3.190 4.142 ( 0.000 -1.483 10.165) 10.272 4.152 ( -0.000 6.460 -22.025) 22.952 4.290 ( -0.000 0.450 -4.628) 4.649 5.046 ( 0.000 -2.248 -0.520) 2.308 5.157 ( 0.000 -0.907 -15.024) 15.051 5.691 ( 0.000 -0.132 18.088) 18.088 6.088 ( 0.000 -0.167 -19.508) 19.509 6.973 ( 0.000 -0.649 65.267) 65.270 7.859 ( -0.000 0.046 32.080) 32.080 8.236 ( 0.000 -0.857 -56.973) 56.980 8.472 ( -0.000 0.048 -27.400) 27.400 16.196 ( -0.000 1.963 14.545) 14.677 16.236 ( -0.000 0.709 8.782) 8.811 17.911 ( 0.000 -0.762 2.476) 2.590 17.984 ( 0.000 -1.533 -5.196) 5.418 18.241 ( -0.000 0.448 3.807) 3.834 18.535 ( -0.000 2.784 -23.229) 23.395 20.574 ( 0.000 -4.686 17.577) 18.191 20.890 ( 0.000 -6.084 -13.189) 14.525 ======================= Grid point 631 (191/215) ======================= q-point: ( 0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 9.886 0.000 7.821) 12.605 2.198 ( 5.647 0.000 -9.063) 10.679 3.234 ( 6.984 0.000 36.886) 37.541 3.353 ( -4.813 -0.000 8.367) 9.653 3.522 ( -5.556 -0.000 -8.318) 10.003 3.929 ( 6.334 0.000 -24.678) 25.478 4.619 ( 3.497 0.000 6.480) 7.364 4.749 ( 1.578 0.000 -6.391) 6.583 4.916 ( 1.027 0.000 -0.781) 1.290 5.061 ( 0.886 0.000 -19.160) 19.181 5.874 ( 2.284 0.000 20.990) 21.114 6.292 ( 2.543 0.000 -19.040) 19.209 6.891 ( -1.363 -0.000 64.654) 64.668 8.071 ( 1.433 0.000 -5.599) 5.779 8.234 ( 1.616 0.000 -17.270) 17.346 8.806 ( 5.028 0.000 -28.849) 29.284 16.187 ( 0.499 0.000 14.341) 14.350 16.228 ( 0.188 0.000 8.613) 8.615 17.904 ( -0.622 -0.000 1.836) 1.938 17.946 ( -1.569 -0.000 -2.468) 2.924 18.227 ( 0.007 0.000 3.088) 3.088 18.512 ( 0.351 0.000 -22.911) 22.914 20.259 ( -6.259 -0.000 12.312) 13.811 20.437 ( -8.356 -0.000 -4.268) 9.383 ======================= Grid point 632 (192/215) ======================= q-point: ( 0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 9.526 -0.579 4.978) 10.764 2.315 ( 6.133 -2.268 -5.750) 8.707 3.211 ( -4.337 6.728 11.631) 14.119 3.324 ( -4.829 -3.319 9.399) 11.076 3.471 ( 2.766 -1.482 12.576) 12.962 4.072 ( 7.867 -0.928 -24.579) 25.824 4.608 ( -3.631 0.100 4.911) 6.108 4.715 ( -4.364 0.621 -5.820) 7.301 4.976 ( 4.257 0.481 -0.276) 4.293 5.112 ( 3.684 -0.331 -17.768) 18.149 5.913 ( 1.820 -0.250 20.922) 21.002 6.327 ( 1.178 0.039 -18.810) 18.847 6.871 ( -0.781 0.011 64.282) 64.287 8.083 ( -0.046 -0.621 -28.732) 28.739 8.263 ( 1.402 0.796 6.165) 6.372 8.877 ( 2.490 0.098 -29.049) 29.156 16.203 ( 1.049 -0.333 13.910) 13.953 16.235 ( 0.514 -0.214 8.863) 8.880 17.889 ( -0.892 0.177 1.131) 1.452 17.913 ( -1.784 0.308 -1.490) 2.345 18.230 ( 0.213 -0.077 3.442) 3.449 18.525 ( 0.902 -0.322 -23.382) 23.402 20.152 ( -4.790 0.551 11.086) 12.089 20.299 ( -6.009 0.654 -2.266) 6.455 ======================= Grid point 633 (193/215) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 7.252 0.760 5.124) 8.912 2.450 ( 5.747 -2.672 -4.119) 7.559 3.088 ( -3.948 4.054 5.995) 8.244 3.200 ( -7.400 0.612 -3.948) 8.410 3.577 ( 4.672 -2.897 27.700) 28.240 4.209 ( 5.685 0.241 -24.800) 25.444 4.528 ( -4.382 -1.374 3.320) 5.667 4.609 ( -5.836 0.368 -4.506) 7.382 5.023 ( 0.670 0.669 1.756) 1.995 5.172 ( 2.200 0.162 -16.835) 16.979 5.944 ( 1.364 -0.002 19.221) 19.270 6.336 ( -0.159 0.036 -18.189) 18.189 6.862 ( -0.120 -0.034 63.876) 63.876 8.086 ( -0.252 -1.242 -37.507) 37.528 8.265 ( -0.486 1.300 14.945) 15.009 8.894 ( -0.552 -0.006 -29.077) 29.083 16.229 ( 1.600 -0.061 13.378) 13.473 16.249 ( 0.808 -0.125 9.321) 9.357 17.871 ( -0.944 0.006 0.424) 1.034 17.879 ( -1.546 0.020 -0.842) 1.761 18.236 ( 0.384 0.000 4.106) 4.124 18.549 ( 1.520 -0.009 -24.210) 24.257 20.080 ( -2.644 0.033 10.522) 10.850 20.211 ( -3.007 0.078 -1.266) 3.263 ======================= Grid point 634 (194/215) ======================= q-point: (-0.58 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -0.145 4.580 7.872) 9.109 2.535 ( 1.903 0.612 -4.227) 4.676 3.012 ( -2.855 2.053 2.560) 4.349 3.107 ( -1.332 -3.789 -5.385) 6.718 3.656 ( 2.398 -0.010 27.785) 27.888 4.235 ( -1.544 4.032 -19.601) 20.071 4.492 ( -2.506 -4.561 -1.167) 5.333 4.543 ( -0.316 -2.936 -3.082) 4.268 4.987 ( -3.599 1.094 4.672) 5.998 5.182 ( -0.519 1.334 -18.380) 18.435 5.956 ( -0.007 0.660 17.200) 17.212 6.321 ( -1.414 -0.063 -17.503) 17.560 6.866 ( 0.425 -0.109 63.608) 63.610 8.093 ( -0.212 -1.945 -37.360) 37.411 8.226 ( -2.439 1.614 14.579) 14.870 8.859 ( -3.282 -0.283 -28.992) 29.179 16.260 ( 1.921 0.847 12.826) 12.997 16.265 ( 0.944 0.327 9.896) 9.947 17.856 ( -0.867 -0.558 -0.059) 1.033 17.859 ( -0.884 -0.791 -0.613) 1.336 18.243 ( 0.504 0.208 4.970) 5.000 18.580 ( 2.055 0.807 -25.279) 25.375 20.057 ( -0.364 -1.425 10.596) 10.697 20.189 ( -0.008 -1.591 -1.218) 2.004 ======================= Grid point 635 (195/215) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -7.637 7.300 9.857) 14.449 2.484 ( -5.441 4.531 -9.099) 11.529 2.971 ( -0.802 -1.275 10.250) 10.361 3.182 ( 3.194 -6.579 -9.239) 11.783 3.672 ( 1.430 3.628 24.045) 24.359 4.141 ( -3.588 5.075 -14.490) 15.767 4.507 ( -0.085 -7.146 1.554) 7.313 4.592 ( 0.728 -3.093 -4.235) 5.294 4.896 ( -4.482 0.731 5.419) 7.070 5.138 ( -2.457 2.516 -21.820) 22.101 5.930 ( -2.072 1.139 16.298) 16.468 6.284 ( -2.677 -0.194 -17.277) 17.485 6.879 ( 0.810 -0.271 63.579) 63.585 8.099 ( -1.678 -2.775 -9.853) 10.373 8.162 ( -2.242 1.934 -13.301) 13.626 8.782 ( -5.160 -0.511 -28.807) 29.270 16.277 ( 0.834 1.055 10.429) 10.516 16.285 ( 1.845 2.151 12.311) 12.633 17.850 ( -0.515 -1.357 -0.004) 1.451 17.857 ( -0.309 -1.834 -0.987) 2.106 18.251 ( 0.556 0.495 5.875) 5.922 18.611 ( 2.266 1.978 -26.297) 26.469 20.087 ( 1.648 -3.579 11.236) 11.907 20.234 ( 2.617 -4.175 -2.106) 5.358 ======================= Grid point 636 (196/215) ======================= q-point: (-0.42 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -11.197 7.143 11.000) 17.245 2.299 ( -9.820 4.915 -12.617) 16.727 2.970 ( -1.295 -1.506 17.627) 17.739 3.271 ( 0.994 -5.766 -10.539) 12.055 3.691 ( 4.415 4.580 18.522) 19.584 4.064 ( -0.296 4.834 -11.677) 12.642 4.540 ( -5.561 -2.025 3.687) 6.973 4.582 ( 0.017 -3.333 2.063) 3.920 4.854 ( -0.478 -2.045 0.668) 2.204 5.076 ( -1.680 1.919 -25.136) 25.265 5.866 ( -3.765 1.074 16.466) 16.925 6.226 ( -3.624 -0.269 -17.650) 18.020 6.899 ( 1.014 -0.550 63.740) 63.751 8.040 ( -5.027 -0.593 33.069) 33.454 8.152 ( 0.778 -0.693 -56.716) 56.726 8.681 ( -5.844 -0.498 -28.489) 29.087 16.279 ( 0.541 1.724 10.661) 10.813 16.295 ( 1.401 3.439 12.014) 12.575 17.855 ( -0.218 -1.906 0.410) 1.962 17.873 ( 0.135 -2.841 -1.756) 3.342 18.256 ( 0.515 0.791 6.567) 6.634 18.632 ( 1.992 3.281 -26.861) 27.134 20.166 ( 3.019 -5.987 12.381) 14.080 20.343 ( 4.470 -7.233 -3.969) 9.383 ======================= Grid point 637 (197/215) ======================= q-point: (-0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -11.524 5.953 12.622) 18.099 2.076 ( -10.246 3.384 -14.814) 18.327 2.939 ( -2.386 -0.129 22.923) 23.047 3.302 ( -0.937 -3.627 -10.380) 11.035 3.770 ( 6.836 3.865 13.791) 15.870 4.065 ( 3.578 3.777 -8.198) 9.709 4.391 ( -7.885 3.086 8.261) 11.830 4.576 ( -4.126 -0.748 -5.705) 7.080 4.885 ( 1.521 -3.705 0.400) 4.025 5.070 ( 1.124 -1.162 -23.304) 23.360 5.784 ( -4.187 0.592 17.156) 17.669 6.159 ( -3.617 -0.303 -18.385) 18.740 6.923 ( 0.971 -0.873 64.033) 64.046 7.951 ( -4.408 -0.020 32.857) 33.151 8.177 ( 0.858 -1.523 -57.065) 57.092 8.580 ( -5.125 -0.264 -28.049) 28.515 16.273 ( 0.258 2.107 10.677) 10.886 16.288 ( 0.804 4.137 11.918) 12.641 17.868 ( -0.062 -2.089 0.974) 2.305 17.900 ( 0.302 -3.313 -2.736) 4.307 18.258 ( 0.383 1.000 6.770) 6.855 18.636 ( 1.333 4.358 -26.731) 27.116 20.278 ( 3.325 -7.964 13.899) 16.360 20.495 ( 4.922 -9.921 -6.633) 12.909 ======================= Grid point 638 (198/215) ======================= q-point: (-0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -7.599 4.653 14.660) 17.156 1.894 ( -6.685 1.872 -16.568) 17.963 2.897 ( -1.654 0.542 26.937) 26.994 3.303 ( -0.919 -2.009 -10.102) 10.341 3.868 ( 6.314 4.473 12.188) 14.437 4.119 ( 2.512 1.146 1.428) 3.109 4.246 ( -2.955 3.935 -0.169) 4.924 4.451 ( -7.283 3.511 -11.209) 13.821 4.950 ( 1.632 -4.707 0.620) 5.020 5.110 ( 1.328 -2.126 -19.753) 19.911 5.714 ( -2.796 0.020 17.916) 18.133 6.105 ( -2.298 -0.312 -19.092) 19.233 6.946 ( 0.624 -1.094 64.410) 64.422 7.885 ( -2.542 0.081 32.236) 32.337 8.202 ( 0.544 -1.661 -56.944) 56.971 8.503 ( -3.037 -0.007 -27.613) 27.780 16.259 ( 0.129 2.654 11.237) 11.547 16.269 ( 0.267 3.509 11.400) 11.931 17.882 ( -0.015 -1.905 1.517) 2.436 17.929 ( 0.209 -3.214 -3.712) 4.914 18.256 ( 0.195 1.041 6.365) 6.452 18.620 ( 0.582 4.855 -26.003) 26.458 20.394 ( 2.272 -8.815 15.462) 17.943 20.653 ( 3.397 -11.235 -9.437) 15.061 ======================= Grid point 639 (199/215) ======================= q-point: (-0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -0.000 3.753 16.226) 16.655 1.819 ( -0.000 1.227 -17.795) 17.837 2.877 ( -0.000 0.318 30.325) 30.327 3.305 ( 0.000 -1.184 -8.416) 8.499 3.900 ( -0.000 5.426 10.707) 12.003 4.114 ( 0.000 -2.265 11.611) 11.830 4.265 ( -0.000 8.692 -18.723) 20.643 4.297 ( -0.000 0.448 -6.395) 6.411 4.999 ( 0.000 -4.150 0.156) 4.153 5.138 ( 0.000 -1.810 -17.590) 17.683 5.688 ( 0.000 -0.227 18.180) 18.181 6.085 ( 0.000 -0.287 -19.404) 19.406 6.960 ( 0.000 -1.086 64.781) 64.790 7.860 ( -0.000 0.079 32.070) 32.070 8.219 ( 0.000 -1.505 -56.988) 57.008 8.473 ( -0.000 0.084 -27.412) 27.412 16.237 ( -0.000 3.529 13.155) 13.620 16.253 ( -0.000 1.700 9.690) 9.838 17.894 ( 0.000 -1.542 1.935) 2.474 17.953 ( 0.000 -2.776 -4.411) 5.212 18.251 ( -0.000 0.910 5.489) 5.564 18.590 ( -0.000 4.610 -24.973) 25.395 20.479 ( 0.000 -8.214 16.532) 18.460 20.767 ( 0.000 -10.585 -11.349) 15.519 ======================= Grid point 644 (200/215) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 8.376 0.000 2.733) 8.810 2.425 ( 6.451 0.000 -2.259) 6.835 3.124 ( -5.832 -0.000 3.440) 6.771 3.201 ( -7.363 -0.000 -0.695) 7.396 3.553 ( 5.576 0.000 28.239) 28.784 4.210 ( 6.896 0.000 -26.287) 27.177 4.517 ( -5.537 -0.000 4.283) 7.000 4.611 ( -6.429 -0.000 -5.221) 8.282 5.029 ( 0.693 0.000 1.939) 2.060 5.173 ( 2.550 0.000 -16.542) 16.737 5.944 ( 1.576 0.000 19.264) 19.328 6.336 ( -0.182 -0.000 -18.173) 18.174 6.862 ( -0.138 -0.000 63.777) 63.777 8.077 ( -0.306 -0.000 -34.905) 34.906 8.275 ( -0.546 -0.000 12.277) 12.289 8.894 ( -0.637 -0.000 -28.977) 28.984 16.229 ( 1.846 0.000 13.357) 13.484 16.248 ( 0.931 0.000 9.349) 9.395 17.871 ( -1.090 -0.000 0.427) 1.170 17.880 ( -1.784 -0.000 -0.850) 1.976 18.236 ( 0.443 0.000 4.106) 4.130 18.549 ( 1.755 0.000 -24.200) 24.264 20.080 ( -3.053 -0.000 10.535) 10.968 20.212 ( -3.471 -0.000 -1.290) 3.703 ======================= Grid point 645 (201/215) ======================= q-point: (-0.67 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 1.967 2.224 4.772) 5.621 2.533 ( 3.874 -0.487 -1.323) 4.122 3.041 ( -3.088 1.588 -1.152) 3.658 3.067 ( -5.139 -1.735 -2.661) 6.042 3.652 ( 4.420 -0.343 29.918) 30.245 4.291 ( 1.030 3.036 -24.405) 24.615 4.430 ( -4.121 -3.327 2.195) 5.733 4.514 ( -2.742 -1.067 -3.913) 4.896 4.999 ( -3.450 0.474 5.672) 6.655 5.196 ( 0.029 0.503 -17.892) 17.899 5.963 ( 0.266 0.241 16.721) 16.725 6.321 ( -1.481 -0.020 -17.257) 17.320 6.865 ( 0.380 -0.044 63.301) 63.302 8.073 ( -0.419 -0.763 -31.796) 31.808 8.243 ( -2.439 0.650 8.856) 9.208 8.856 ( -3.404 -0.105 -28.789) 28.990 16.268 ( 1.235 0.111 10.169) 10.245 16.268 ( 2.431 0.299 12.576) 12.813 17.850 ( -1.432 -0.262 -0.513) 1.544 17.851 ( -1.074 -0.234 -0.224) 1.122 18.246 ( 0.614 0.076 5.196) 5.233 18.588 ( 2.489 0.292 -25.555) 25.678 20.042 ( -1.166 -0.517 10.543) 10.620 20.173 ( -0.949 -0.571 -1.099) 1.560 ======================= Grid point 646 (202/215) ======================= q-point: (-0.58 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -7.439 5.121 7.976) 12.049 2.531 ( -4.509 1.916 -5.398) 7.290 2.961 ( -2.193 -0.368 4.699) 5.199 3.105 ( 3.621 -3.866 -7.874) 9.489 3.714 ( 3.063 2.071 26.806) 27.060 4.216 ( -3.421 5.255 -13.589) 14.966 4.408 ( -1.842 -6.268 1.810) 6.779 4.546 ( 2.526 -2.915 -9.305) 10.073 4.908 ( -5.383 0.738 8.465) 10.059 5.168 ( -2.061 1.546 -21.201) 21.357 5.944 ( -2.054 0.652 15.317) 15.467 6.282 ( -2.737 -0.120 -16.763) 16.986 6.876 ( 0.699 -0.159 63.034) 63.038 8.067 ( -1.466 -1.606 -12.193) 12.386 8.185 ( -2.682 1.139 -11.180) 11.554 8.776 ( -5.190 -0.297 -28.561) 29.030 16.289 ( 1.221 0.594 10.944) 11.028 16.311 ( 2.599 1.301 11.856) 12.207 17.832 ( -0.970 -1.037 -0.524) 1.513 17.837 ( -0.809 -0.884 -0.616) 1.347 18.257 ( 0.702 0.285 6.506) 6.550 18.634 ( 2.874 1.127 -27.120) 27.295 20.045 ( 0.499 -2.056 11.002) 11.204 20.186 ( 1.182 -2.388 -1.614) 3.116 ======================= Grid point 647 (203/215) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -12.052 5.931 9.347) 16.365 2.357 ( -11.023 2.944 -9.973) 15.154 2.953 ( -0.285 -0.843 12.129) 12.162 3.199 ( 2.720 -3.992 -10.691) 11.731 3.754 ( 4.251 3.976 21.834) 22.597 4.136 ( -0.708 5.099 -9.512) 10.815 4.447 ( -0.567 -7.807 3.531) 8.587 4.582 ( -0.585 0.557 -3.353) 3.449 4.824 ( -2.787 -1.767 5.203) 6.161 5.108 ( -2.553 2.180 -25.368) 25.589 5.880 ( -4.074 0.745 15.456) 16.001 6.223 ( -3.652 -0.217 -17.073) 17.461 6.892 ( 0.832 -0.392 63.011) 63.018 8.025 ( -4.139 -1.176 24.656) 25.029 8.150 ( -0.294 0.255 -48.507) 48.508 8.675 ( -5.719 -0.366 -28.291) 28.866 16.302 ( 0.936 1.360 11.534) 11.652 16.342 ( 2.186 2.765 11.199) 11.741 17.828 ( -0.558 -1.779 -0.397) 1.906 17.836 ( -0.382 -2.047 -1.118) 2.363 18.267 ( 0.672 0.586 7.729) 7.780 18.674 ( 2.692 2.383 -28.380) 28.606 20.090 ( 1.694 -4.386 11.828) 12.728 20.250 ( 2.708 -5.290 -2.859) 6.595 ======================= Grid point 648 (204/215) ======================= q-point: (-0.42 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -12.475 5.552 10.691) 17.342 2.119 ( -11.692 2.314 -12.423) 17.215 2.941 ( -1.183 0.409 17.015) 17.061 3.254 ( 0.608 -2.896 -11.989) 12.349 3.826 ( 6.478 3.776 17.733) 19.253 4.121 ( 2.420 4.042 -4.924) 6.815 4.422 ( -5.988 0.011 5.638) 8.225 4.559 ( -0.823 -0.299 -1.021) 1.345 4.829 ( 0.090 -4.202 0.825) 4.283 5.064 ( -0.571 0.416 -27.431) 27.440 5.791 ( -4.652 0.437 16.509) 17.158 6.155 ( -3.632 -0.275 -17.953) 18.319 6.911 ( 0.775 -0.719 63.192) 63.201 7.948 ( -4.204 -0.314 32.230) 32.504 8.158 ( 0.538 -1.017 -56.565) 56.577 8.576 ( -4.914 -0.230 -27.956) 28.385 16.303 ( 0.512 2.071 11.693) 11.886 16.350 ( 1.402 4.167 10.840) 11.697 17.835 ( -0.260 -2.267 0.043) 2.282 17.852 ( -0.009 -3.156 -1.874) 3.670 18.272 ( 0.511 0.900 8.477) 8.540 18.696 ( 1.944 3.763 -28.859) 29.168 20.168 ( 2.156 -6.952 12.941) 14.847 20.358 ( 3.284 -8.636 -4.803) 10.414 ======================= Grid point 649 (205/215) ======================= q-point: (-0.33 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -8.188 4.912 12.440) 15.682 1.919 ( -7.565 1.464 -14.272) 16.219 2.911 ( -1.095 1.385 20.787) 20.862 3.273 ( -0.168 -1.932 -12.797) 12.943 3.931 ( 7.294 3.674 16.075) 18.030 4.138 ( 0.047 2.161 7.486) 7.791 4.302 ( -2.942 3.295 -2.296) 4.979 4.504 ( -4.098 3.680 -8.465) 10.099 4.876 ( 0.941 -5.515 1.178) 5.717 5.079 ( 0.930 -1.999 -24.657) 24.756 5.714 ( -3.169 -0.019 17.763) 18.043 6.100 ( -2.307 -0.312 -18.858) 19.001 6.930 ( 0.496 -1.031 63.538) 63.549 7.885 ( -2.488 0.019 32.256) 32.352 8.178 ( 0.439 -1.619 -57.013) 57.038 8.503 ( -2.884 -0.010 -27.607) 27.757 16.293 ( 0.172 2.388 11.427) 11.675 16.335 ( 0.592 4.954 10.939) 12.023 17.850 ( -0.075 -2.435 0.594) 2.508 17.878 ( 0.107 -3.655 -2.686) 4.537 18.272 ( 0.260 1.119 8.455) 8.533 18.691 ( 0.922 4.821 -28.437) 28.858 20.262 ( 1.607 -8.937 14.165) 16.826 20.486 ( 2.432 -11.327 -7.070) 13.572 ======================= Grid point 650 (206/215) ======================= q-point: (-0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -0.000 4.534 14.042) 14.756 1.837 ( -0.000 1.167 -15.707) 15.751 2.889 ( -0.000 1.381 23.983) 24.022 3.283 ( 0.000 -1.624 -12.415) 12.520 4.001 ( -0.000 8.089 17.443) 19.227 4.080 ( 0.000 -2.364 13.191) 13.402 4.301 ( -0.000 0.219 -8.445) 8.448 4.392 ( -0.000 8.504 -14.307) 16.643 4.928 ( 0.000 -5.611 0.983) 5.696 5.107 ( 0.000 -2.387 -21.724) 21.855 5.684 ( 0.000 -0.261 18.307) 18.309 6.080 ( 0.000 -0.329 -19.263) 19.265 6.943 ( 0.000 -1.187 63.984) 63.995 7.861 ( -0.000 0.091 32.058) 32.058 8.195 ( 0.000 -1.770 -57.001) 57.029 8.475 ( -0.000 0.096 -27.429) 27.429 16.277 ( -0.000 2.299 10.926) 11.165 16.304 ( -0.000 4.891 11.478) 12.477 17.866 ( 0.000 -2.256 1.112) 2.515 17.906 ( 0.000 -3.592 -3.365) 4.922 18.266 ( -0.000 1.166 7.656) 7.744 18.662 ( -0.000 5.211 -27.364) 27.855 20.347 ( 0.000 -9.632 15.148) 17.951 20.598 ( 0.000 -12.318 -8.880) 15.185 ======================= Grid point 657 (207/215) ======================= q-point: (-0.67 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -7.461 -0.000 6.659) 10.000 2.543 ( -4.008 -0.000 -3.393) 5.251 2.958 ( -2.920 -0.000 2.943) 4.146 3.076 ( 3.847 0.000 -7.677) 8.587 3.729 ( 3.930 0.000 28.170) 28.443 4.272 ( -3.508 -0.000 -17.840) 18.181 4.346 ( -2.557 -0.000 6.482) 6.968 4.522 ( 3.110 0.000 -11.449) 11.864 4.913 ( -5.632 -0.000 9.502) 11.046 5.180 ( -1.892 -0.000 -20.955) 21.041 5.948 ( -2.050 -0.000 14.968) 15.108 6.281 ( -2.763 -0.000 -16.567) 16.795 6.875 ( 0.660 0.000 62.805) 62.808 8.055 ( -1.416 -0.000 -12.583) 12.662 8.193 ( -2.817 -0.000 -10.887) 11.245 8.773 ( -5.201 -0.000 -28.447) 28.918 16.293 ( 1.383 0.000 11.167) 11.252 16.321 ( 2.893 0.000 11.669) 12.022 17.824 ( -1.171 -0.000 -0.543) 1.291 17.831 ( -0.989 -0.000 -0.660) 1.189 18.259 ( 0.755 0.000 6.734) 6.777 18.642 ( 3.097 0.000 -27.423) 27.597 20.030 ( 0.077 0.000 10.919) 10.919 20.168 ( 0.653 0.000 -1.436) 1.577 ======================= Grid point 659 (208/215) ======================= q-point: (-0.58 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -12.779 2.464 7.649) 15.096 2.383 ( -11.675 0.832 -7.502) 13.903 2.944 ( 0.277 -0.367 9.258) 9.269 3.160 ( 3.785 -1.371 -10.857) 11.580 3.798 ( 4.300 1.744 24.029) 24.473 4.207 ( -0.891 4.314 -10.666) 11.540 4.344 ( -0.376 -5.570 7.214) 9.122 4.584 ( 2.524 -0.122 -11.673) 11.944 4.808 ( -5.217 -0.536 10.651) 11.872 5.131 ( -2.777 0.891 -25.211) 25.379 5.887 ( -4.267 0.264 14.918) 15.518 6.221 ( -3.666 -0.084 -16.723) 17.121 6.888 ( 0.736 -0.140 62.514) 62.519 8.012 ( -3.485 -0.537 18.182) 18.521 8.154 ( -1.060 0.204 -42.180) 42.194 8.671 ( -5.646 -0.134 -28.127) 28.688 16.316 ( 1.239 0.528 12.140) 12.214 16.370 ( 2.715 1.066 10.699) 11.090 17.808 ( -0.814 -0.806 -0.704) 1.345 17.817 ( -0.754 -0.685 -0.961) 1.400 18.272 ( 0.768 0.216 8.388) 8.426 18.698 ( 3.112 0.873 -29.288) 29.466 20.045 ( 0.919 -1.604 11.512) 11.660 20.197 ( 1.671 -1.937 -2.199) 3.373 ======================= Grid point 660 (209/215) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -13.296 3.549 8.622) 16.239 2.142 ( -12.636 0.927 -9.868) 16.059 2.947 ( -0.216 0.316 13.136) 13.141 3.222 ( 1.721 -1.480 -12.572) 12.775 3.873 ( 5.510 2.424 20.065) 20.948 4.185 ( 1.806 4.796 -4.587) 6.878 4.376 ( -1.830 -5.330 6.992) 8.980 4.589 ( -0.194 3.690 -2.970) 4.741 4.764 ( -1.275 -4.556 3.650) 5.975 5.076 ( -2.053 0.881 -29.399) 29.484 5.796 ( -4.989 0.216 16.144) 16.899 6.152 ( -3.634 -0.165 -17.629) 18.000 6.903 ( 0.645 -0.397 62.458) 62.463 7.943 ( -3.832 -0.328 30.304) 30.547 8.148 ( 0.068 -0.438 -54.759) 54.761 8.573 ( -4.760 -0.132 -27.836) 28.241 16.329 ( 0.828 1.378 12.708) 12.810 16.401 ( 1.955 2.660 9.963) 10.496 17.805 ( -0.470 -1.725 -0.752) 1.940 17.815 ( -0.388 -1.833 -1.258) 2.257 18.283 ( 0.618 0.531 9.701) 9.735 18.740 ( 2.429 2.201 -30.530) 30.706 20.087 ( 1.276 -4.027 12.254) 12.961 20.257 ( 2.046 -5.020 -3.404) 6.401 ======================= Grid point 661 (210/215) ======================= q-point: (-0.42 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -8.714 3.919 10.033) 13.855 1.935 ( -8.209 0.672 -11.701) 14.309 2.933 ( -0.522 1.420 16.057) 16.128 3.250 ( 0.458 -1.192 -13.649) 13.709 3.966 ( 5.835 1.338 17.315) 18.321 4.187 ( 0.845 4.314 8.399) 9.480 4.331 ( -3.528 0.362 -0.412) 3.571 4.559 ( -0.424 4.133 -4.156) 5.877 4.794 ( -0.022 -5.792 1.581) 6.004 5.056 ( -0.167 -1.127 -30.015) 30.037 5.713 ( -3.448 -0.045 17.710) 18.042 6.096 ( -2.310 -0.229 -18.654) 18.798 6.917 ( 0.397 -0.710 62.638) 62.644 7.885 ( -2.346 -0.035 32.008) 32.094 8.157 ( 0.239 -1.149 -56.816) 56.828 8.503 ( -2.750 -0.007 -27.578) 27.715 16.327 ( 0.346 2.168 12.717) 12.905 16.403 ( 0.921 4.176 9.698) 10.599 17.814 ( -0.188 -2.331 -0.401) 2.373 17.829 ( -0.078 -3.029 -1.793) 3.520 18.287 ( 0.330 0.855 10.224) 10.265 18.753 ( 1.247 3.603 -30.726) 30.962 20.147 ( 1.007 -6.604 13.077) 14.684 20.341 ( 1.564 -8.384 -4.949) 9.861 ======================= Grid point 662 (211/215) ======================= q-point: (-0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -0.000 4.235 11.498) 12.253 1.851 ( -0.000 0.666 -13.184) 13.200 2.914 ( -0.000 1.895 18.553) 18.650 3.262 ( 0.000 -1.201 -13.952) 14.003 4.049 ( 0.000 -1.921 14.482) 14.608 4.121 ( -0.000 8.120 21.697) 23.167 4.303 ( -0.000 0.023 -10.245) 10.245 4.505 ( -0.000 7.087 -9.006) 11.460 4.840 ( 0.000 -6.399 1.700) 6.621 5.072 ( 0.000 -2.339 -27.222) 27.322 5.681 ( 0.000 -0.225 18.438) 18.439 6.076 ( 0.000 -0.282 -19.121) 19.123 6.927 ( 0.000 -0.962 63.028) 63.035 7.862 ( -0.000 0.079 32.045) 32.045 8.170 ( 0.000 -1.561 -57.004) 57.025 8.476 ( -0.000 0.083 -27.446) 27.446 16.313 ( -0.000 2.513 12.224) 12.479 16.377 ( -0.000 5.005 10.051) 11.228 17.831 ( 0.000 -2.568 0.110) 2.571 17.853 ( 0.000 -3.635 -2.335) 4.320 18.283 ( -0.000 1.075 9.752) 9.811 18.735 ( -0.000 4.574 -29.908) 30.256 20.213 ( 0.000 -8.455 13.811) 16.194 20.427 ( 0.000 -10.790 -6.384) 12.537 ======================= Grid point 671 (212/215) ======================= q-point: (-0.58 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -13.645 -0.000 7.616) 15.627 2.148 ( -12.942 -0.000 -8.664) 15.574 2.950 ( 0.185 0.000 11.839) 11.840 3.211 ( 2.113 0.000 -12.767) 12.941 3.891 ( 4.906 0.000 20.898) 21.466 4.239 ( 1.947 0.000 -11.889) 12.048 4.314 ( -0.653 -0.000 15.558) 15.572 4.629 ( 1.818 0.000 -10.469) 10.625 4.719 ( -3.392 -0.000 10.444) 10.981 5.083 ( -2.552 -0.000 -29.875) 29.984 5.798 ( -5.113 -0.000 16.035) 16.830 6.151 ( -3.633 -0.000 -17.508) 17.881 6.900 ( 0.600 0.000 62.164) 62.167 7.941 ( -3.650 -0.000 29.262) 29.488 8.145 ( -0.153 -0.000 -53.766) 53.767 8.572 ( -4.704 -0.000 -27.782) 28.177 16.339 ( 0.975 0.000 13.118) 13.154 16.421 ( 2.191 0.000 9.652) 9.897 17.792 ( -0.570 -0.000 -0.914) 1.077 17.801 ( -0.565 -0.000 -1.199) 1.326 18.287 ( 0.659 0.000 10.147) 10.168 18.756 ( 2.619 0.000 -31.178) 31.288 20.057 ( 0.949 0.000 12.001) 12.039 20.220 ( 1.582 0.000 -2.865) 3.273 ======================= Grid point 673 (213/215) ======================= q-point: (-0.50 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -9.045 1.564 8.274) 12.358 1.940 ( -8.519 0.103 -9.814) 12.997 2.948 ( -0.113 0.591 13.510) 13.524 3.239 ( 0.787 -0.381 -13.812) 13.839 3.976 ( 4.186 0.247 17.729) 18.218 4.253 ( 1.198 4.571 4.814) 6.745 4.311 ( -1.455 -2.920 5.349) 6.266 4.625 ( 0.464 4.831 -3.108) 5.763 4.711 ( -0.457 -5.388 2.857) 6.116 5.046 ( -1.275 -0.292 -33.446) 33.471 5.713 ( -3.589 -0.024 17.718) 18.078 6.094 ( -2.309 -0.084 -18.536) 18.680 6.910 ( 0.345 -0.250 62.056) 62.058 7.885 ( -2.217 -0.025 31.703) 31.781 8.146 ( 0.070 -0.411 -56.541) 56.542 8.503 ( -2.673 -0.002 -27.553) 27.682 16.350 ( 0.500 0.906 13.581) 13.621 16.447 ( 1.165 1.670 9.020) 9.247 17.788 ( -0.275 -1.086 -1.023) 1.517 17.797 ( -0.263 -1.126 -1.349) 1.777 18.296 ( 0.375 0.320 11.239) 11.250 18.790 ( 1.456 1.350 -32.185) 32.246 20.081 ( 0.652 -2.425 12.454) 12.704 20.256 ( 1.043 -3.098 -3.635) 4.889 ======================= Grid point 674 (214/215) ======================= q-point: (-0.42 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.000 2.690 9.221) 9.606 1.856 ( -0.000 0.126 -10.873) 10.874 2.939 ( -0.000 1.365 14.890) 14.952 3.249 ( 0.000 -0.575 -14.205) 14.217 4.027 ( 0.000 -1.073 15.292) 15.329 4.223 ( -0.000 5.526 24.646) 25.258 4.303 ( 0.000 -0.041 -11.458) 11.458 4.595 ( -0.000 5.337 -4.087) 6.722 4.749 ( 0.000 -6.040 1.979) 6.356 5.043 ( 0.000 -1.511 -32.873) 32.908 5.678 ( 0.000 -0.130 18.535) 18.536 6.072 ( 0.000 -0.162 -19.018) 19.018 6.916 ( 0.000 -0.525 62.225) 62.227 7.863 ( -0.000 0.046 32.035) 32.035 8.152 ( 0.000 -0.913 -56.997) 57.005 8.477 ( -0.000 0.048 -27.459) 27.459 16.345 ( -0.000 1.769 13.419) 13.535 16.440 ( -0.000 3.280 9.022) 9.599 17.797 ( 0.000 -1.946 -0.824) 2.113 17.808 ( 0.000 -2.315 -1.566) 2.795 18.296 ( -0.000 0.643 11.269) 11.288 18.789 ( -0.000 2.724 -31.984) 32.099 20.114 ( 0.000 -4.917 12.853) 13.762 20.300 ( 0.000 -6.311 -4.440) 7.716 ======================= Grid point 686 (215/215) ======================= q-point: ( 0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.11e-04 2.11e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -0.000 0.000 8.237) 8.237 1.856 ( -0.000 0.000 -9.865) 9.865 2.949 ( -0.000 0.000 13.586) 13.586 3.245 ( -0.000 0.000 -14.169) 14.169 4.019 ( -0.000 0.000 15.564) 15.564 4.266 ( -0.000 0.000 26.097) 26.097 4.302 ( -0.000 0.000 -11.885) 11.885 4.657 ( -0.000 0.000 -5.206) 5.206 4.679 ( 0.000 -0.000 5.091) 5.091 5.031 ( 0.000 -0.000 -35.533) 35.533 5.677 ( -0.000 0.000 18.571) 18.571 6.071 ( -0.000 0.000 -18.980) 18.980 6.912 ( -0.000 0.000 61.909) 61.909 7.864 ( -0.000 0.000 32.032) 32.032 8.145 ( -0.000 0.000 -56.993) 56.993 8.477 ( -0.000 0.000 -27.463) 27.463 16.358 ( -0.000 0.000 13.903) 13.903 16.464 ( -0.000 0.000 8.670) 8.670 17.781 ( -0.000 0.000 -1.133) 1.133 17.791 ( -0.000 0.000 -1.374) 1.374 18.300 ( -0.000 0.000 11.825) 11.825 18.809 ( -0.000 0.000 -32.815) 32.815 20.078 ( -0.000 0.000 12.503) 12.503 20.254 ( -0.000 0.000 -3.676) 3.676 =================== 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 3/31104 10.0 135.529 444.938 157.739 0.000 0.000 -0.000 3/31104 20.0 47.166 153.024 113.284 0.000 0.000 -0.000 3/31104 30.0 22.394 64.923 70.807 0.000 0.000 -0.000 3/31104 40.0 13.172 35.412 45.436 0.000 0.000 -0.000 3/31104 50.0 9.025 23.099 33.147 0.000 0.000 -0.000 3/31104 60.0 6.810 16.840 26.857 0.000 0.000 -0.000 3/31104 70.0 5.466 13.179 23.343 0.000 0.000 -0.000 3/31104 80.0 4.572 10.817 21.185 0.000 0.000 -0.000 3/31104 90.0 3.936 9.178 19.724 0.000 0.000 -0.000 3/31104 100.0 3.462 7.979 18.640 0.000 0.000 -0.000 3/31104 110.0 3.094 7.066 17.772 0.000 0.000 -0.000 3/31104 120.0 2.801 6.347 17.038 0.000 0.000 -0.000 3/31104 130.0 2.562 5.766 16.393 0.000 0.000 -0.000 3/31104 140.0 2.363 5.288 15.811 0.000 0.000 -0.000 3/31104 150.0 2.195 4.886 15.279 0.000 0.000 -0.000 3/31104 160.0 2.051 4.545 14.785 0.000 0.000 -0.000 3/31104 170.0 1.927 4.251 14.325 0.000 0.000 -0.000 3/31104 180.0 1.818 3.995 13.894 0.000 0.000 -0.000 3/31104 190.0 1.722 3.770 13.488 0.000 0.000 -0.000 3/31104 200.0 1.637 3.571 13.104 0.000 0.000 -0.000 3/31104 210.0 1.561 3.392 12.740 0.000 0.000 -0.000 3/31104 220.0 1.492 3.232 12.395 0.000 0.000 -0.000 3/31104 230.0 1.430 3.088 12.066 0.000 0.000 -0.000 3/31104 240.0 1.373 2.956 11.753 0.000 0.000 -0.000 3/31104 250.0 1.321 2.836 11.454 0.000 0.000 -0.000 3/31104 260.0 1.273 2.726 11.168 0.000 0.000 -0.000 3/31104 270.0 1.229 2.624 10.894 0.000 0.000 -0.000 3/31104 280.0 1.187 2.530 10.633 0.000 0.000 -0.000 3/31104 290.0 1.149 2.443 10.382 0.000 0.000 -0.000 3/31104 300.0 1.114 2.362 10.141 0.000 0.000 -0.000 3/31104 310.0 1.080 2.286 9.910 0.000 0.000 -0.000 3/31104 320.0 1.049 2.215 9.687 0.000 0.000 -0.000 3/31104 330.0 1.019 2.149 9.474 0.000 0.000 -0.000 3/31104 340.0 0.991 2.087 9.269 0.000 0.000 -0.000 3/31104 350.0 0.965 2.028 9.071 0.000 0.000 -0.000 3/31104 360.0 0.940 1.972 8.881 0.000 0.000 -0.000 3/31104 370.0 0.917 1.920 8.698 0.000 0.000 -0.000 3/31104 380.0 0.894 1.870 8.521 0.000 0.000 -0.000 3/31104 390.0 0.873 1.823 8.351 0.000 0.000 -0.000 3/31104 400.0 0.853 1.778 8.187 0.000 0.000 -0.000 3/31104 410.0 0.833 1.736 8.028 0.000 0.000 -0.000 3/31104 420.0 0.815 1.695 7.875 0.000 0.000 -0.000 3/31104 430.0 0.797 1.656 7.728 0.000 0.000 -0.000 3/31104 440.0 0.780 1.620 7.585 0.000 0.000 -0.000 3/31104 450.0 0.764 1.584 7.447 0.000 0.000 -0.000 3/31104 460.0 0.748 1.550 7.313 0.000 0.000 -0.000 3/31104 470.0 0.733 1.518 7.184 0.000 0.000 -0.000 3/31104 480.0 0.719 1.487 7.059 0.000 0.000 -0.000 3/31104 490.0 0.705 1.457 6.938 0.000 0.000 -0.000 3/31104 500.0 0.692 1.429 6.821 0.000 0.000 -0.000 3/31104 510.0 0.679 1.401 6.707 0.000 0.000 -0.000 3/31104 520.0 0.667 1.375 6.597 0.000 0.000 -0.000 3/31104 530.0 0.655 1.349 6.490 0.000 0.000 -0.000 3/31104 540.0 0.643 1.325 6.387 0.000 0.000 -0.000 3/31104 550.0 0.632 1.301 6.286 0.000 0.000 -0.000 3/31104 560.0 0.622 1.278 6.189 0.000 0.000 -0.000 3/31104 570.0 0.611 1.256 6.094 0.000 0.000 -0.000 3/31104 580.0 0.601 1.235 6.002 0.000 0.000 -0.000 3/31104 590.0 0.592 1.214 5.912 0.000 0.000 -0.000 3/31104 600.0 0.582 1.194 5.825 0.000 0.000 -0.000 3/31104 610.0 0.573 1.175 5.740 0.000 0.000 -0.000 3/31104 620.0 0.564 1.156 5.658 0.000 0.000 -0.000 3/31104 630.0 0.556 1.138 5.578 0.000 0.000 -0.000 3/31104 640.0 0.547 1.121 5.500 0.000 0.000 -0.000 3/31104 650.0 0.539 1.104 5.424 0.000 0.000 -0.000 3/31104 660.0 0.531 1.087 5.350 0.000 0.000 -0.000 3/31104 670.0 0.524 1.071 5.278 0.000 0.000 -0.000 3/31104 680.0 0.516 1.056 5.208 0.000 0.000 -0.000 3/31104 690.0 0.509 1.041 5.140 0.000 0.000 -0.000 3/31104 700.0 0.502 1.026 5.073 0.000 0.000 -0.000 3/31104 710.0 0.495 1.012 5.008 0.000 0.000 -0.000 3/31104 720.0 0.489 0.998 4.944 0.000 0.000 -0.000 3/31104 730.0 0.482 0.984 4.882 0.000 0.000 -0.000 3/31104 740.0 0.476 0.971 4.822 0.000 0.000 -0.000 3/31104 750.0 0.470 0.959 4.763 0.000 0.000 -0.000 3/31104 760.0 0.464 0.946 4.705 0.000 0.000 -0.000 3/31104 770.0 0.458 0.934 4.649 0.000 0.000 -0.000 3/31104 780.0 0.452 0.922 4.594 0.000 0.000 -0.000 3/31104 790.0 0.447 0.911 4.540 0.000 0.000 -0.000 3/31104 800.0 0.442 0.899 4.487 0.000 0.000 -0.000 3/31104 810.0 0.436 0.888 4.436 0.000 0.000 -0.000 3/31104 820.0 0.431 0.878 4.386 0.000 0.000 -0.000 3/31104 830.0 0.426 0.867 4.336 0.000 0.000 -0.000 3/31104 840.0 0.421 0.857 4.288 0.000 0.000 -0.000 3/31104 850.0 0.416 0.847 4.241 0.000 0.000 -0.000 3/31104 860.0 0.412 0.837 4.195 0.000 0.000 -0.000 3/31104 870.0 0.407 0.828 4.150 0.000 0.000 -0.000 3/31104 880.0 0.403 0.818 4.106 0.000 0.000 -0.000 3/31104 890.0 0.398 0.809 4.062 0.000 0.000 -0.000 3/31104 900.0 0.394 0.800 4.020 0.000 0.000 -0.000 3/31104 910.0 0.390 0.792 3.978 0.000 0.000 -0.000 3/31104 920.0 0.385 0.783 3.938 0.000 0.000 -0.000 3/31104 930.0 0.381 0.775 3.898 0.000 0.000 -0.000 3/31104 940.0 0.377 0.767 3.858 0.000 0.000 -0.000 3/31104 950.0 0.374 0.759 3.820 0.000 0.000 -0.000 3/31104 960.0 0.370 0.751 3.782 0.000 0.000 -0.000 3/31104 970.0 0.366 0.743 3.746 0.000 0.000 -0.000 3/31104 980.0 0.362 0.736 3.709 0.000 0.000 -0.000 3/31104 990.0 0.359 0.728 3.674 0.000 0.000 -0.000 3/31104 1000.0 0.355 0.721 3.639 0.000 0.000 -0.000 3/31104 Thermal conductivity related properties were written into "kappa-m12129.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:59:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|