----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:31:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_12_12 (92) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.167403290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.167403290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.258832430000000 Atomic positions (fractional): *1 Li 0.68648019992377 0.31351980007623 0.25000000000000 6.941 2 Li 0.18648019992377 0.18648019992377 0.50000000000000 6.941 3 Li 0.31351980007623 0.68648019992377 0.75000000000000 6.941 4 Li 0.81351980007623 0.81351980007623 0.00000000000000 6.941 *5 O 0.29276444906407 0.33457282598862 0.22934384517821 15.999 6 O 0.16542717401138 0.79276444906407 0.47934384517821 15.999 7 O 0.79276444906407 0.16542717401138 0.52065615482179 15.999 8 O 0.83457282598862 0.20723555093593 0.97934384517821 15.999 9 O 0.20723555093593 0.83457282598862 0.02065615482179 15.999 10 O 0.66542717401138 0.70723555093593 0.27065615482179 15.999 11 O 0.33457282598862 0.29276444906407 0.77065615482179 15.999 12 O 0.70723555093593 0.66542717401138 0.72934384517821 15.999 *13 Al 0.82441839427171 0.82441839427171 0.50000000000000 26.982 14 Al 0.67558160572829 0.32441839427170 0.75000000000000 26.982 15 Al 0.32441839427170 0.67558160572829 0.25000000000000 26.982 16 Al 0.17558160572830 0.17558160572830 0.00000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.167403290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.167403290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.258832430000000 Atomic positions (fractional): *1 Li 0.68648019992377 0.31351980007623 0.25000000000000 6.941 > 1 2 Li 0.18648019992377 0.18648019992377 0.50000000000000 6.941 > 2 3 Li 0.31351980007623 0.68648019992377 0.75000000000000 6.941 > 3 4 Li 0.81351980007623 0.81351980007623 0.00000000000000 6.941 > 4 *5 O 0.29276444906407 0.33457282598862 0.22934384517821 15.999 > 5 6 O 0.16542717401138 0.79276444906407 0.47934384517821 15.999 > 6 7 O 0.79276444906407 0.16542717401138 0.52065615482179 15.999 > 7 8 O 0.83457282598862 0.20723555093593 0.97934384517821 15.999 > 8 9 O 0.20723555093593 0.83457282598862 0.02065615482179 15.999 > 9 10 O 0.66542717401138 0.70723555093593 0.27065615482179 15.999 > 10 11 O 0.33457282598862 0.29276444906407 0.77065615482179 15.999 > 11 12 O 0.70723555093593 0.66542717401138 0.72934384517821 15.999 > 12 *13 Al 0.82441839427171 0.82441839427171 0.50000000000000 26.982 > 13 14 Al 0.67558160572829 0.32441839427170 0.75000000000000 26.982 > 14 15 Al 0.32441839427170 0.67558160572829 0.25000000000000 26.982 > 15 16 Al 0.17558160572830 0.17558160572830 0.00000000000000 26.982 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.334806580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.334806580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.517664860000000 Atomic positions (fractional): *1 Li 0.34324009996189 0.15675990003811 0.12500000000000 6.941 > 1 2 Li 0.84324009996189 0.15675990003811 0.12500000000000 6.941 > 1 3 Li 0.34324009996189 0.65675990003811 0.12500000000000 6.941 > 1 4 Li 0.84324009996189 0.65675990003811 0.12500000000000 6.941 > 1 5 Li 0.34324009996189 0.15675990003811 0.62500000000000 6.941 > 1 6 Li 0.84324009996189 0.15675990003811 0.62500000000000 6.941 > 1 7 Li 0.34324009996189 0.65675990003811 0.62500000000000 6.941 > 1 8 Li 0.84324009996189 0.65675990003811 0.62500000000000 6.941 > 1 9 Li 0.09324009996189 0.09324009996189 0.25000000000000 6.941 > 2 10 Li 0.59324009996189 0.09324009996189 0.25000000000000 6.941 > 2 11 Li 0.09324009996189 0.59324009996189 0.25000000000000 6.941 > 2 12 Li 0.59324009996189 0.59324009996189 0.25000000000000 6.941 > 2 13 Li 0.09324009996189 0.09324009996189 0.75000000000000 6.941 > 2 14 Li 0.59324009996189 0.09324009996189 0.75000000000000 6.941 > 2 15 Li 0.09324009996189 0.59324009996189 0.75000000000000 6.941 > 2 16 Li 0.59324009996189 0.59324009996189 0.75000000000000 6.941 > 2 17 Li 0.15675990003811 0.34324009996189 0.37500000000000 6.941 > 3 18 Li 0.65675990003811 0.34324009996189 0.37500000000000 6.941 > 3 19 Li 0.15675990003811 0.84324009996189 0.37500000000000 6.941 > 3 20 Li 0.65675990003811 0.84324009996189 0.37500000000000 6.941 > 3 21 Li 0.15675990003811 0.34324009996189 0.87500000000000 6.941 > 3 22 Li 0.65675990003811 0.34324009996189 0.87500000000000 6.941 > 3 23 Li 0.15675990003811 0.84324009996189 0.87500000000000 6.941 > 3 24 Li 0.65675990003811 0.84324009996189 0.87500000000000 6.941 > 3 25 Li 0.40675990003811 0.40675990003811 0.00000000000000 6.941 > 4 26 Li 0.90675990003811 0.40675990003811 0.00000000000000 6.941 > 4 27 Li 0.40675990003811 0.90675990003811 0.00000000000000 6.941 > 4 28 Li 0.90675990003811 0.90675990003811 0.00000000000000 6.941 > 4 29 Li 0.40675990003811 0.40675990003811 0.50000000000000 6.941 > 4 30 Li 0.90675990003811 0.40675990003811 0.50000000000000 6.941 > 4 31 Li 0.40675990003811 0.90675990003811 0.50000000000000 6.941 > 4 32 Li 0.90675990003811 0.90675990003811 0.50000000000000 6.941 > 4 *33 O 0.14638222453203 0.16728641299431 0.11467192258910 15.999 > 5 34 O 0.64638222453203 0.16728641299431 0.11467192258910 15.999 > 5 35 O 0.14638222453203 0.66728641299431 0.11467192258910 15.999 > 5 36 O 0.64638222453203 0.66728641299431 0.11467192258910 15.999 > 5 37 O 0.14638222453203 0.16728641299431 0.61467192258910 15.999 > 5 38 O 0.64638222453203 0.16728641299431 0.61467192258910 15.999 > 5 39 O 0.14638222453203 0.66728641299431 0.61467192258910 15.999 > 5 40 O 0.64638222453203 0.66728641299431 0.61467192258910 15.999 > 5 41 O 0.08271358700569 0.39638222453203 0.23967192258910 15.999 > 6 42 O 0.58271358700569 0.39638222453203 0.23967192258910 15.999 > 6 43 O 0.08271358700569 0.89638222453203 0.23967192258910 15.999 > 6 44 O 0.58271358700569 0.89638222453203 0.23967192258910 15.999 > 6 45 O 0.08271358700569 0.39638222453203 0.73967192258910 15.999 > 6 46 O 0.58271358700569 0.39638222453203 0.73967192258910 15.999 > 6 47 O 0.08271358700569 0.89638222453203 0.73967192258910 15.999 > 6 48 O 0.58271358700569 0.89638222453203 0.73967192258910 15.999 > 6 49 O 0.39638222453203 0.08271358700569 0.26032807741090 15.999 > 7 50 O 0.89638222453203 0.08271358700569 0.26032807741090 15.999 > 7 51 O 0.39638222453203 0.58271358700569 0.26032807741090 15.999 > 7 52 O 0.89638222453203 0.58271358700569 0.26032807741090 15.999 > 7 53 O 0.39638222453203 0.08271358700569 0.76032807741090 15.999 > 7 54 O 0.89638222453203 0.08271358700569 0.76032807741090 15.999 > 7 55 O 0.39638222453203 0.58271358700569 0.76032807741090 15.999 > 7 56 O 0.89638222453203 0.58271358700569 0.76032807741090 15.999 > 7 57 O 0.41728641299431 0.10361777546797 0.48967192258910 15.999 > 8 58 O 0.91728641299431 0.10361777546797 0.48967192258910 15.999 > 8 59 O 0.41728641299431 0.60361777546797 0.48967192258910 15.999 > 8 60 O 0.91728641299431 0.60361777546797 0.48967192258910 15.999 > 8 61 O 0.41728641299431 0.10361777546797 0.98967192258910 15.999 > 8 62 O 0.91728641299431 0.10361777546797 0.98967192258910 15.999 > 8 63 O 0.41728641299431 0.60361777546797 0.98967192258910 15.999 > 8 64 O 0.91728641299431 0.60361777546797 0.98967192258910 15.999 > 8 65 O 0.10361777546797 0.41728641299431 0.01032807741090 15.999 > 9 66 O 0.60361777546797 0.41728641299431 0.01032807741090 15.999 > 9 67 O 0.10361777546797 0.91728641299431 0.01032807741090 15.999 > 9 68 O 0.60361777546797 0.91728641299431 0.01032807741090 15.999 > 9 69 O 0.10361777546797 0.41728641299431 0.51032807741090 15.999 > 9 70 O 0.60361777546797 0.41728641299431 0.51032807741090 15.999 > 9 71 O 0.10361777546797 0.91728641299431 0.51032807741090 15.999 > 9 72 O 0.60361777546797 0.91728641299431 0.51032807741090 15.999 > 9 73 O 0.33271358700569 0.35361777546797 0.13532807741090 15.999 > 10 74 O 0.83271358700569 0.35361777546797 0.13532807741090 15.999 > 10 75 O 0.33271358700569 0.85361777546797 0.13532807741090 15.999 > 10 76 O 0.83271358700569 0.85361777546797 0.13532807741090 15.999 > 10 77 O 0.33271358700569 0.35361777546797 0.63532807741090 15.999 > 10 78 O 0.83271358700569 0.35361777546797 0.63532807741090 15.999 > 10 79 O 0.33271358700569 0.85361777546797 0.63532807741090 15.999 > 10 80 O 0.83271358700569 0.85361777546797 0.63532807741090 15.999 > 10 81 O 0.16728641299431 0.14638222453203 0.38532807741090 15.999 > 11 82 O 0.66728641299431 0.14638222453203 0.38532807741090 15.999 > 11 83 O 0.16728641299431 0.64638222453203 0.38532807741090 15.999 > 11 84 O 0.66728641299431 0.64638222453203 0.38532807741090 15.999 > 11 85 O 0.16728641299431 0.14638222453203 0.88532807741090 15.999 > 11 86 O 0.66728641299431 0.14638222453203 0.88532807741090 15.999 > 11 87 O 0.16728641299431 0.64638222453203 0.88532807741090 15.999 > 11 88 O 0.66728641299431 0.64638222453203 0.88532807741090 15.999 > 11 89 O 0.35361777546797 0.33271358700569 0.36467192258910 15.999 > 12 90 O 0.85361777546797 0.33271358700569 0.36467192258910 15.999 > 12 91 O 0.35361777546797 0.83271358700569 0.36467192258910 15.999 > 12 92 O 0.85361777546797 0.83271358700569 0.36467192258910 15.999 > 12 93 O 0.35361777546797 0.33271358700569 0.86467192258910 15.999 > 12 94 O 0.85361777546797 0.33271358700569 0.86467192258910 15.999 > 12 95 O 0.35361777546797 0.83271358700569 0.86467192258910 15.999 > 12 96 O 0.85361777546797 0.83271358700569 0.86467192258910 15.999 > 12 *97 Al 0.41220919713585 0.41220919713585 0.25000000000000 26.982 > 13 98 Al 0.91220919713585 0.41220919713585 0.25000000000000 26.982 > 13 99 Al 0.41220919713585 0.91220919713585 0.25000000000000 26.982 > 13 100 Al 0.91220919713585 0.91220919713585 0.25000000000000 26.982 > 13 101 Al 0.41220919713585 0.41220919713585 0.75000000000000 26.982 > 13 102 Al 0.91220919713585 0.41220919713585 0.75000000000000 26.982 > 13 103 Al 0.41220919713585 0.91220919713585 0.75000000000000 26.982 > 13 104 Al 0.91220919713585 0.91220919713585 0.75000000000000 26.982 > 13 105 Al 0.33779080286415 0.16220919713585 0.37500000000000 26.982 > 14 106 Al 0.83779080286415 0.16220919713585 0.37500000000000 26.982 > 14 107 Al 0.33779080286415 0.66220919713585 0.37500000000000 26.982 > 14 108 Al 0.83779080286415 0.66220919713585 0.37500000000000 26.982 > 14 109 Al 0.33779080286415 0.16220919713585 0.87500000000000 26.982 > 14 110 Al 0.83779080286415 0.16220919713585 0.87500000000000 26.982 > 14 111 Al 0.33779080286415 0.66220919713585 0.87500000000000 26.982 > 14 112 Al 0.83779080286415 0.66220919713585 0.87500000000000 26.982 > 14 113 Al 0.16220919713585 0.33779080286415 0.12500000000000 26.982 > 15 114 Al 0.66220919713585 0.33779080286415 0.12500000000000 26.982 > 15 115 Al 0.16220919713585 0.83779080286415 0.12500000000000 26.982 > 15 116 Al 0.66220919713585 0.83779080286415 0.12500000000000 26.982 > 15 117 Al 0.16220919713585 0.33779080286415 0.62500000000000 26.982 > 15 118 Al 0.66220919713585 0.33779080286415 0.62500000000000 26.982 > 15 119 Al 0.16220919713585 0.83779080286415 0.62500000000000 26.982 > 15 120 Al 0.66220919713585 0.83779080286415 0.62500000000000 26.982 > 15 121 Al 0.08779080286415 0.08779080286415 0.00000000000000 26.982 > 16 122 Al 0.58779080286415 0.08779080286415 0.00000000000000 26.982 > 16 123 Al 0.08779080286415 0.58779080286415 0.00000000000000 26.982 > 16 124 Al 0.58779080286415 0.58779080286415 0.00000000000000 26.982 > 16 125 Al 0.08779080286415 0.08779080286415 0.50000000000000 26.982 > 16 126 Al 0.58779080286415 0.08779080286415 0.50000000000000 26.982 > 16 127 Al 0.08779080286415 0.58779080286415 0.50000000000000 26.982 > 16 128 Al 0.58779080286415 0.58779080286415 0.50000000000000 26.982 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8009529 0.0000000 0.0000000 0.0000000 2.8009529 0.0000000 0.0000000 0.0000000 2.7333755 -------------------------- Born effective charges -------------------------- 1 Li 1.0010672 -0.0530655 -0.0160023 -0.0530655 1.0010672 -0.0160023 0.0108391 0.0108391 1.0220068 2 Li 1.0010672 0.0530655 0.0160023 0.0530655 1.0010672 -0.0160023 -0.0108391 0.0108391 1.0220068 3 Li 1.0010672 -0.0530655 0.0160023 -0.0530655 1.0010672 0.0160023 -0.0108391 -0.0108391 1.0220068 4 Li 1.0010672 0.0530655 -0.0160023 0.0530655 1.0010672 0.0160023 0.0108391 -0.0108391 1.0220068 5 O -1.4960868 -0.1738884 -0.0791656 -0.1537653 -2.0258797 -0.2290410 -0.1398630 -0.2444067 -1.7080911 6 O -2.0258797 0.1537653 0.2290410 0.1738884 -1.4960868 -0.0791656 0.2444067 -0.1398630 -1.7080911 7 O -1.4960868 0.1738884 0.0791656 0.1537653 -2.0258797 -0.2290410 0.1398630 -0.2444067 -1.7080911 8 O -2.0258797 0.1537653 -0.2290410 0.1738884 -1.4960868 0.0791656 -0.2444067 0.1398630 -1.7080911 9 O -1.4960868 0.1738884 -0.0791656 0.1537653 -2.0258797 0.2290410 -0.1398630 0.2444067 -1.7080911 10 O -2.0258797 -0.1537653 -0.2290410 -0.1738884 -1.4960868 -0.0791656 -0.2444067 -0.1398630 -1.7080911 11 O -2.0258797 -0.1537653 0.2290410 -0.1738884 -1.4960868 0.0791656 0.2444067 0.1398630 -1.7080911 12 O -1.4960868 -0.1738884 0.0791656 -0.1537653 -2.0258797 0.2290410 0.1398630 0.2444067 -1.7080911 13 Al 2.5208992 0.0865456 0.0645991 0.0865456 2.5208992 -0.0645991 -0.1120663 0.1120663 2.3941755 14 Al 2.5208992 -0.0865456 0.0645991 -0.0865456 2.5208992 0.0645991 -0.1120663 -0.1120663 2.3941755 15 Al 2.5208992 -0.0865456 -0.0645991 -0.0865456 2.5208992 -0.0645991 0.1120663 0.1120663 2.3941755 16 Al 2.5208992 0.0865456 -0.0645991 0.0865456 2.5208992 0.0645991 0.1120663 -0.1120663 2.3941755 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1204 Number of blocks in projector: 1204 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 148 Use standard eigh solver. Tree of FC basis block matrices: - (1204, 1185), data: False |-- (148, 145), data: True |-- (272, 268), data: True |-- (272, 268), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.764 Solver_block: 200 / 240 - Time: 1.728 Solver_block: 240 / 240 - Time: 0.775 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.387 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1204 Number of blocks in projector: 1204 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 148 Use standard eigh solver. Tree of FC basis block matrices: - (1204, 1185), data: False |-- (148, 145), data: True |-- (272, 268), data: True |-- (272, 268), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), 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 19:31:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:31:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_12_12 (92) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.167403290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.167403290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.258832430000000 Atomic positions (fractional): 1 Li 0.68648019992377 0.31351980007623 0.25000000000000 6.941 2 Li 0.18648019992377 0.18648019992377 0.50000000000000 6.941 3 Li 0.31351980007623 0.68648019992377 0.75000000000000 6.941 4 Li 0.81351980007623 0.81351980007623 0.00000000000000 6.941 5 O 0.29276444906407 0.33457282598862 0.22934384517821 15.999 6 O 0.16542717401138 0.79276444906407 0.47934384517821 15.999 7 O 0.79276444906407 0.16542717401138 0.52065615482179 15.999 8 O 0.83457282598862 0.20723555093593 0.97934384517821 15.999 9 O 0.20723555093593 0.83457282598862 0.02065615482179 15.999 10 O 0.66542717401138 0.70723555093593 0.27065615482179 15.999 11 O 0.33457282598862 0.29276444906407 0.77065615482179 15.999 12 O 0.70723555093593 0.66542717401138 0.72934384517821 15.999 13 Al 0.82441839427171 0.82441839427171 0.50000000000000 26.982 14 Al 0.67558160572829 0.32441839427170 0.75000000000000 26.982 15 Al 0.32441839427170 0.67558160572829 0.25000000000000 26.982 16 Al 0.17558160572830 0.17558160572830 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.334806580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.334806580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.517664860000000 Atomic positions (fractional): 1 Li 0.34324009996189 0.15675990003811 0.12500000000000 6.941 > 1 2 Li 0.84324009996189 0.15675990003811 0.12500000000000 6.941 > 1 3 Li 0.34324009996189 0.65675990003811 0.12500000000000 6.941 > 1 4 Li 0.84324009996189 0.65675990003811 0.12500000000000 6.941 > 1 5 Li 0.34324009996189 0.15675990003811 0.62500000000000 6.941 > 1 6 Li 0.84324009996189 0.15675990003811 0.62500000000000 6.941 > 1 7 Li 0.34324009996189 0.65675990003811 0.62500000000000 6.941 > 1 8 Li 0.84324009996189 0.65675990003811 0.62500000000000 6.941 > 1 9 Li 0.09324009996189 0.09324009996189 0.25000000000000 6.941 > 9 10 Li 0.59324009996189 0.09324009996189 0.25000000000000 6.941 > 9 11 Li 0.09324009996189 0.59324009996189 0.25000000000000 6.941 > 9 12 Li 0.59324009996189 0.59324009996189 0.25000000000000 6.941 > 9 13 Li 0.09324009996189 0.09324009996189 0.75000000000000 6.941 > 9 14 Li 0.59324009996189 0.09324009996189 0.75000000000000 6.941 > 9 15 Li 0.09324009996189 0.59324009996189 0.75000000000000 6.941 > 9 16 Li 0.59324009996189 0.59324009996189 0.75000000000000 6.941 > 9 17 Li 0.15675990003811 0.34324009996189 0.37500000000000 6.941 > 17 18 Li 0.65675990003811 0.34324009996189 0.37500000000000 6.941 > 17 19 Li 0.15675990003811 0.84324009996189 0.37500000000000 6.941 > 17 20 Li 0.65675990003811 0.84324009996189 0.37500000000000 6.941 > 17 21 Li 0.15675990003811 0.34324009996189 0.87500000000000 6.941 > 17 22 Li 0.65675990003811 0.34324009996189 0.87500000000000 6.941 > 17 23 Li 0.15675990003811 0.84324009996189 0.87500000000000 6.941 > 17 24 Li 0.65675990003811 0.84324009996189 0.87500000000000 6.941 > 17 25 Li 0.40675990003811 0.40675990003811 0.00000000000000 6.941 > 25 26 Li 0.90675990003811 0.40675990003811 0.00000000000000 6.941 > 25 27 Li 0.40675990003811 0.90675990003811 0.00000000000000 6.941 > 25 28 Li 0.90675990003811 0.90675990003811 0.00000000000000 6.941 > 25 29 Li 0.40675990003811 0.40675990003811 0.50000000000000 6.941 > 25 30 Li 0.90675990003811 0.40675990003811 0.50000000000000 6.941 > 25 31 Li 0.40675990003811 0.90675990003811 0.50000000000000 6.941 > 25 32 Li 0.90675990003811 0.90675990003811 0.50000000000000 6.941 > 25 33 O 0.14638222453203 0.16728641299431 0.11467192258910 15.999 > 33 34 O 0.64638222453203 0.16728641299431 0.11467192258910 15.999 > 33 35 O 0.14638222453203 0.66728641299431 0.11467192258910 15.999 > 33 36 O 0.64638222453203 0.66728641299431 0.11467192258910 15.999 > 33 37 O 0.14638222453203 0.16728641299431 0.61467192258910 15.999 > 33 38 O 0.64638222453203 0.16728641299431 0.61467192258910 15.999 > 33 39 O 0.14638222453203 0.66728641299431 0.61467192258910 15.999 > 33 40 O 0.64638222453203 0.66728641299431 0.61467192258910 15.999 > 33 41 O 0.08271358700569 0.39638222453203 0.23967192258910 15.999 > 41 42 O 0.58271358700569 0.39638222453203 0.23967192258910 15.999 > 41 43 O 0.08271358700569 0.89638222453203 0.23967192258910 15.999 > 41 44 O 0.58271358700569 0.89638222453203 0.23967192258910 15.999 > 41 45 O 0.08271358700569 0.39638222453203 0.73967192258910 15.999 > 41 46 O 0.58271358700569 0.39638222453203 0.73967192258910 15.999 > 41 47 O 0.08271358700569 0.89638222453203 0.73967192258910 15.999 > 41 48 O 0.58271358700569 0.89638222453203 0.73967192258910 15.999 > 41 49 O 0.39638222453203 0.08271358700569 0.26032807741090 15.999 > 49 50 O 0.89638222453203 0.08271358700569 0.26032807741090 15.999 > 49 51 O 0.39638222453203 0.58271358700569 0.26032807741090 15.999 > 49 52 O 0.89638222453203 0.58271358700569 0.26032807741090 15.999 > 49 53 O 0.39638222453203 0.08271358700569 0.76032807741090 15.999 > 49 54 O 0.89638222453203 0.08271358700569 0.76032807741090 15.999 > 49 55 O 0.39638222453203 0.58271358700569 0.76032807741090 15.999 > 49 56 O 0.89638222453203 0.58271358700569 0.76032807741090 15.999 > 49 57 O 0.41728641299431 0.10361777546797 0.48967192258910 15.999 > 57 58 O 0.91728641299431 0.10361777546797 0.48967192258910 15.999 > 57 59 O 0.41728641299431 0.60361777546797 0.48967192258910 15.999 > 57 60 O 0.91728641299431 0.60361777546797 0.48967192258910 15.999 > 57 61 O 0.41728641299431 0.10361777546797 0.98967192258910 15.999 > 57 62 O 0.91728641299431 0.10361777546797 0.98967192258910 15.999 > 57 63 O 0.41728641299431 0.60361777546797 0.98967192258910 15.999 > 57 64 O 0.91728641299431 0.60361777546797 0.98967192258910 15.999 > 57 65 O 0.10361777546797 0.41728641299431 0.01032807741090 15.999 > 65 66 O 0.60361777546797 0.41728641299431 0.01032807741090 15.999 > 65 67 O 0.10361777546797 0.91728641299431 0.01032807741090 15.999 > 65 68 O 0.60361777546797 0.91728641299431 0.01032807741090 15.999 > 65 69 O 0.10361777546797 0.41728641299431 0.51032807741090 15.999 > 65 70 O 0.60361777546797 0.41728641299431 0.51032807741090 15.999 > 65 71 O 0.10361777546797 0.91728641299431 0.51032807741090 15.999 > 65 72 O 0.60361777546797 0.91728641299431 0.51032807741090 15.999 > 65 73 O 0.33271358700569 0.35361777546797 0.13532807741090 15.999 > 73 74 O 0.83271358700569 0.35361777546797 0.13532807741090 15.999 > 73 75 O 0.33271358700569 0.85361777546797 0.13532807741090 15.999 > 73 76 O 0.83271358700569 0.85361777546797 0.13532807741090 15.999 > 73 77 O 0.33271358700569 0.35361777546797 0.63532807741090 15.999 > 73 78 O 0.83271358700569 0.35361777546797 0.63532807741090 15.999 > 73 79 O 0.33271358700569 0.85361777546797 0.63532807741090 15.999 > 73 80 O 0.83271358700569 0.85361777546797 0.63532807741090 15.999 > 73 81 O 0.16728641299431 0.14638222453203 0.38532807741090 15.999 > 81 82 O 0.66728641299431 0.14638222453203 0.38532807741090 15.999 > 81 83 O 0.16728641299431 0.64638222453203 0.38532807741090 15.999 > 81 84 O 0.66728641299431 0.64638222453203 0.38532807741090 15.999 > 81 85 O 0.16728641299431 0.14638222453203 0.88532807741090 15.999 > 81 86 O 0.66728641299431 0.14638222453203 0.88532807741090 15.999 > 81 87 O 0.16728641299431 0.64638222453203 0.88532807741090 15.999 > 81 88 O 0.66728641299431 0.64638222453203 0.88532807741090 15.999 > 81 89 O 0.35361777546797 0.33271358700569 0.36467192258910 15.999 > 89 90 O 0.85361777546797 0.33271358700569 0.36467192258910 15.999 > 89 91 O 0.35361777546797 0.83271358700569 0.36467192258910 15.999 > 89 92 O 0.85361777546797 0.83271358700569 0.36467192258910 15.999 > 89 93 O 0.35361777546797 0.33271358700569 0.86467192258910 15.999 > 89 94 O 0.85361777546797 0.33271358700569 0.86467192258910 15.999 > 89 95 O 0.35361777546797 0.83271358700569 0.86467192258910 15.999 > 89 96 O 0.85361777546797 0.83271358700569 0.86467192258910 15.999 > 89 97 Al 0.41220919713585 0.41220919713585 0.25000000000000 26.982 > 97 98 Al 0.91220919713585 0.41220919713585 0.25000000000000 26.982 > 97 99 Al 0.41220919713585 0.91220919713585 0.25000000000000 26.982 > 97 100 Al 0.91220919713585 0.91220919713585 0.25000000000000 26.982 > 97 101 Al 0.41220919713585 0.41220919713585 0.75000000000000 26.982 > 97 102 Al 0.91220919713585 0.41220919713585 0.75000000000000 26.982 > 97 103 Al 0.41220919713585 0.91220919713585 0.75000000000000 26.982 > 97 104 Al 0.91220919713585 0.91220919713585 0.75000000000000 26.982 > 97 105 Al 0.33779080286415 0.16220919713585 0.37500000000000 26.982 > 105 106 Al 0.83779080286415 0.16220919713585 0.37500000000000 26.982 > 105 107 Al 0.33779080286415 0.66220919713585 0.37500000000000 26.982 > 105 108 Al 0.83779080286415 0.66220919713585 0.37500000000000 26.982 > 105 109 Al 0.33779080286415 0.16220919713585 0.87500000000000 26.982 > 105 110 Al 0.83779080286415 0.16220919713585 0.87500000000000 26.982 > 105 111 Al 0.33779080286415 0.66220919713585 0.87500000000000 26.982 > 105 112 Al 0.83779080286415 0.66220919713585 0.87500000000000 26.982 > 105 113 Al 0.16220919713585 0.33779080286415 0.12500000000000 26.982 > 113 114 Al 0.66220919713585 0.33779080286415 0.12500000000000 26.982 > 113 115 Al 0.16220919713585 0.83779080286415 0.12500000000000 26.982 > 113 116 Al 0.66220919713585 0.83779080286415 0.12500000000000 26.982 > 113 117 Al 0.16220919713585 0.33779080286415 0.62500000000000 26.982 > 113 118 Al 0.66220919713585 0.33779080286415 0.62500000000000 26.982 > 113 119 Al 0.16220919713585 0.83779080286415 0.62500000000000 26.982 > 113 120 Al 0.66220919713585 0.83779080286415 0.62500000000000 26.982 > 113 121 Al 0.08779080286415 0.08779080286415 0.00000000000000 26.982 > 121 122 Al 0.58779080286415 0.08779080286415 0.00000000000000 26.982 > 121 123 Al 0.08779080286415 0.58779080286415 0.00000000000000 26.982 > 121 124 Al 0.58779080286415 0.58779080286415 0.00000000000000 26.982 > 121 125 Al 0.08779080286415 0.08779080286415 0.50000000000000 26.982 > 121 126 Al 0.58779080286415 0.08779080286415 0.50000000000000 26.982 > 121 127 Al 0.08779080286415 0.58779080286415 0.50000000000000 26.982 > 121 128 Al 0.58779080286415 0.58779080286415 0.50000000000000 26.982 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8009529 0.0000000 0.0000000 0.0000000 2.8009529 0.0000000 0.0000000 0.0000000 2.7333755 -------------------------- Born effective charges -------------------------- 1 Li 1.0010672 -0.0530655 -0.0160023 -0.0530655 1.0010672 -0.0160023 0.0108391 0.0108391 1.0220068 2 Li 1.0010672 0.0530655 0.0160023 0.0530655 1.0010672 -0.0160023 -0.0108391 0.0108391 1.0220068 3 Li 1.0010672 -0.0530655 0.0160023 -0.0530655 1.0010672 0.0160023 -0.0108391 -0.0108391 1.0220068 4 Li 1.0010672 0.0530655 -0.0160023 0.0530655 1.0010672 0.0160023 0.0108391 -0.0108391 1.0220068 5 O -1.4960868 -0.1738884 -0.0791656 -0.1537653 -2.0258797 -0.2290410 -0.1398630 -0.2444067 -1.7080911 6 O -2.0258797 0.1537653 0.2290410 0.1738884 -1.4960868 -0.0791656 0.2444067 -0.1398630 -1.7080911 7 O -1.4960868 0.1738884 0.0791656 0.1537653 -2.0258797 -0.2290410 0.1398630 -0.2444067 -1.7080911 8 O -2.0258797 0.1537653 -0.2290410 0.1738884 -1.4960868 0.0791656 -0.2444067 0.1398630 -1.7080911 9 O -1.4960868 0.1738884 -0.0791656 0.1537653 -2.0258797 0.2290410 -0.1398630 0.2444067 -1.7080911 10 O -2.0258797 -0.1537653 -0.2290410 -0.1738884 -1.4960868 -0.0791656 -0.2444067 -0.1398630 -1.7080911 11 O -2.0258797 -0.1537653 0.2290410 -0.1738884 -1.4960868 0.0791656 0.2444067 0.1398630 -1.7080911 12 O -1.4960868 -0.1738884 0.0791656 -0.1537653 -2.0258797 0.2290410 0.1398630 0.2444067 -1.7080911 13 Al 2.5208992 0.0865456 0.0645991 0.0865456 2.5208992 -0.0645991 -0.1120663 0.1120663 2.3941755 14 Al 2.5208992 -0.0865456 0.0645991 -0.0865456 2.5208992 0.0645991 -0.1120663 -0.1120663 2.3941755 15 Al 2.5208992 -0.0865456 -0.0645991 -0.0865456 2.5208992 -0.0645991 0.1120663 0.1120663 2.3941755 16 Al 2.5208992 0.0865456 -0.0645991 0.0865456 2.5208992 0.0645991 0.1120663 -0.1120663 2.3941755 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) 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 19:32:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:32:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_12_12 (92) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.167403290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.167403290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.258832430000000 Atomic positions (fractional): 1 Li 0.68648019992377 0.31351980007623 0.25000000000000 6.941 2 Li 0.18648019992377 0.18648019992377 0.50000000000000 6.941 3 Li 0.31351980007623 0.68648019992377 0.75000000000000 6.941 4 Li 0.81351980007623 0.81351980007623 0.00000000000000 6.941 5 O 0.29276444906407 0.33457282598862 0.22934384517821 15.999 6 O 0.16542717401138 0.79276444906407 0.47934384517821 15.999 7 O 0.79276444906407 0.16542717401138 0.52065615482179 15.999 8 O 0.83457282598862 0.20723555093593 0.97934384517821 15.999 9 O 0.20723555093593 0.83457282598862 0.02065615482179 15.999 10 O 0.66542717401138 0.70723555093593 0.27065615482179 15.999 11 O 0.33457282598862 0.29276444906407 0.77065615482179 15.999 12 O 0.70723555093593 0.66542717401138 0.72934384517821 15.999 13 Al 0.82441839427171 0.82441839427171 0.50000000000000 26.982 14 Al 0.67558160572829 0.32441839427170 0.75000000000000 26.982 15 Al 0.32441839427170 0.67558160572829 0.25000000000000 26.982 16 Al 0.17558160572830 0.17558160572830 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.334806580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.334806580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.517664860000000 Atomic positions (fractional): 1 Li 0.34324009996189 0.15675990003811 0.12500000000000 6.941 > 1 2 Li 0.84324009996189 0.15675990003811 0.12500000000000 6.941 > 1 3 Li 0.34324009996189 0.65675990003811 0.12500000000000 6.941 > 1 4 Li 0.84324009996189 0.65675990003811 0.12500000000000 6.941 > 1 5 Li 0.34324009996189 0.15675990003811 0.62500000000000 6.941 > 1 6 Li 0.84324009996189 0.15675990003811 0.62500000000000 6.941 > 1 7 Li 0.34324009996189 0.65675990003811 0.62500000000000 6.941 > 1 8 Li 0.84324009996189 0.65675990003811 0.62500000000000 6.941 > 1 9 Li 0.09324009996189 0.09324009996189 0.25000000000000 6.941 > 9 10 Li 0.59324009996189 0.09324009996189 0.25000000000000 6.941 > 9 11 Li 0.09324009996189 0.59324009996189 0.25000000000000 6.941 > 9 12 Li 0.59324009996189 0.59324009996189 0.25000000000000 6.941 > 9 13 Li 0.09324009996189 0.09324009996189 0.75000000000000 6.941 > 9 14 Li 0.59324009996189 0.09324009996189 0.75000000000000 6.941 > 9 15 Li 0.09324009996189 0.59324009996189 0.75000000000000 6.941 > 9 16 Li 0.59324009996189 0.59324009996189 0.75000000000000 6.941 > 9 17 Li 0.15675990003811 0.34324009996189 0.37500000000000 6.941 > 17 18 Li 0.65675990003811 0.34324009996189 0.37500000000000 6.941 > 17 19 Li 0.15675990003811 0.84324009996189 0.37500000000000 6.941 > 17 20 Li 0.65675990003811 0.84324009996189 0.37500000000000 6.941 > 17 21 Li 0.15675990003811 0.34324009996189 0.87500000000000 6.941 > 17 22 Li 0.65675990003811 0.34324009996189 0.87500000000000 6.941 > 17 23 Li 0.15675990003811 0.84324009996189 0.87500000000000 6.941 > 17 24 Li 0.65675990003811 0.84324009996189 0.87500000000000 6.941 > 17 25 Li 0.40675990003811 0.40675990003811 0.00000000000000 6.941 > 25 26 Li 0.90675990003811 0.40675990003811 0.00000000000000 6.941 > 25 27 Li 0.40675990003811 0.90675990003811 0.00000000000000 6.941 > 25 28 Li 0.90675990003811 0.90675990003811 0.00000000000000 6.941 > 25 29 Li 0.40675990003811 0.40675990003811 0.50000000000000 6.941 > 25 30 Li 0.90675990003811 0.40675990003811 0.50000000000000 6.941 > 25 31 Li 0.40675990003811 0.90675990003811 0.50000000000000 6.941 > 25 32 Li 0.90675990003811 0.90675990003811 0.50000000000000 6.941 > 25 33 O 0.14638222453203 0.16728641299431 0.11467192258910 15.999 > 33 34 O 0.64638222453203 0.16728641299431 0.11467192258910 15.999 > 33 35 O 0.14638222453203 0.66728641299431 0.11467192258910 15.999 > 33 36 O 0.64638222453203 0.66728641299431 0.11467192258910 15.999 > 33 37 O 0.14638222453203 0.16728641299431 0.61467192258910 15.999 > 33 38 O 0.64638222453203 0.16728641299431 0.61467192258910 15.999 > 33 39 O 0.14638222453203 0.66728641299431 0.61467192258910 15.999 > 33 40 O 0.64638222453203 0.66728641299431 0.61467192258910 15.999 > 33 41 O 0.08271358700569 0.39638222453203 0.23967192258910 15.999 > 41 42 O 0.58271358700569 0.39638222453203 0.23967192258910 15.999 > 41 43 O 0.08271358700569 0.89638222453203 0.23967192258910 15.999 > 41 44 O 0.58271358700569 0.89638222453203 0.23967192258910 15.999 > 41 45 O 0.08271358700569 0.39638222453203 0.73967192258910 15.999 > 41 46 O 0.58271358700569 0.39638222453203 0.73967192258910 15.999 > 41 47 O 0.08271358700569 0.89638222453203 0.73967192258910 15.999 > 41 48 O 0.58271358700569 0.89638222453203 0.73967192258910 15.999 > 41 49 O 0.39638222453203 0.08271358700569 0.26032807741090 15.999 > 49 50 O 0.89638222453203 0.08271358700569 0.26032807741090 15.999 > 49 51 O 0.39638222453203 0.58271358700569 0.26032807741090 15.999 > 49 52 O 0.89638222453203 0.58271358700569 0.26032807741090 15.999 > 49 53 O 0.39638222453203 0.08271358700569 0.76032807741090 15.999 > 49 54 O 0.89638222453203 0.08271358700569 0.76032807741090 15.999 > 49 55 O 0.39638222453203 0.58271358700569 0.76032807741090 15.999 > 49 56 O 0.89638222453203 0.58271358700569 0.76032807741090 15.999 > 49 57 O 0.41728641299431 0.10361777546797 0.48967192258910 15.999 > 57 58 O 0.91728641299431 0.10361777546797 0.48967192258910 15.999 > 57 59 O 0.41728641299431 0.60361777546797 0.48967192258910 15.999 > 57 60 O 0.91728641299431 0.60361777546797 0.48967192258910 15.999 > 57 61 O 0.41728641299431 0.10361777546797 0.98967192258910 15.999 > 57 62 O 0.91728641299431 0.10361777546797 0.98967192258910 15.999 > 57 63 O 0.41728641299431 0.60361777546797 0.98967192258910 15.999 > 57 64 O 0.91728641299431 0.60361777546797 0.98967192258910 15.999 > 57 65 O 0.10361777546797 0.41728641299431 0.01032807741090 15.999 > 65 66 O 0.60361777546797 0.41728641299431 0.01032807741090 15.999 > 65 67 O 0.10361777546797 0.91728641299431 0.01032807741090 15.999 > 65 68 O 0.60361777546797 0.91728641299431 0.01032807741090 15.999 > 65 69 O 0.10361777546797 0.41728641299431 0.51032807741090 15.999 > 65 70 O 0.60361777546797 0.41728641299431 0.51032807741090 15.999 > 65 71 O 0.10361777546797 0.91728641299431 0.51032807741090 15.999 > 65 72 O 0.60361777546797 0.91728641299431 0.51032807741090 15.999 > 65 73 O 0.33271358700569 0.35361777546797 0.13532807741090 15.999 > 73 74 O 0.83271358700569 0.35361777546797 0.13532807741090 15.999 > 73 75 O 0.33271358700569 0.85361777546797 0.13532807741090 15.999 > 73 76 O 0.83271358700569 0.85361777546797 0.13532807741090 15.999 > 73 77 O 0.33271358700569 0.35361777546797 0.63532807741090 15.999 > 73 78 O 0.83271358700569 0.35361777546797 0.63532807741090 15.999 > 73 79 O 0.33271358700569 0.85361777546797 0.63532807741090 15.999 > 73 80 O 0.83271358700569 0.85361777546797 0.63532807741090 15.999 > 73 81 O 0.16728641299431 0.14638222453203 0.38532807741090 15.999 > 81 82 O 0.66728641299431 0.14638222453203 0.38532807741090 15.999 > 81 83 O 0.16728641299431 0.64638222453203 0.38532807741090 15.999 > 81 84 O 0.66728641299431 0.64638222453203 0.38532807741090 15.999 > 81 85 O 0.16728641299431 0.14638222453203 0.88532807741090 15.999 > 81 86 O 0.66728641299431 0.14638222453203 0.88532807741090 15.999 > 81 87 O 0.16728641299431 0.64638222453203 0.88532807741090 15.999 > 81 88 O 0.66728641299431 0.64638222453203 0.88532807741090 15.999 > 81 89 O 0.35361777546797 0.33271358700569 0.36467192258910 15.999 > 89 90 O 0.85361777546797 0.33271358700569 0.36467192258910 15.999 > 89 91 O 0.35361777546797 0.83271358700569 0.36467192258910 15.999 > 89 92 O 0.85361777546797 0.83271358700569 0.36467192258910 15.999 > 89 93 O 0.35361777546797 0.33271358700569 0.86467192258910 15.999 > 89 94 O 0.85361777546797 0.33271358700569 0.86467192258910 15.999 > 89 95 O 0.35361777546797 0.83271358700569 0.86467192258910 15.999 > 89 96 O 0.85361777546797 0.83271358700569 0.86467192258910 15.999 > 89 97 Al 0.41220919713585 0.41220919713585 0.25000000000000 26.982 > 97 98 Al 0.91220919713585 0.41220919713585 0.25000000000000 26.982 > 97 99 Al 0.41220919713585 0.91220919713585 0.25000000000000 26.982 > 97 100 Al 0.91220919713585 0.91220919713585 0.25000000000000 26.982 > 97 101 Al 0.41220919713585 0.41220919713585 0.75000000000000 26.982 > 97 102 Al 0.91220919713585 0.41220919713585 0.75000000000000 26.982 > 97 103 Al 0.41220919713585 0.91220919713585 0.75000000000000 26.982 > 97 104 Al 0.91220919713585 0.91220919713585 0.75000000000000 26.982 > 97 105 Al 0.33779080286415 0.16220919713585 0.37500000000000 26.982 > 105 106 Al 0.83779080286415 0.16220919713585 0.37500000000000 26.982 > 105 107 Al 0.33779080286415 0.66220919713585 0.37500000000000 26.982 > 105 108 Al 0.83779080286415 0.66220919713585 0.37500000000000 26.982 > 105 109 Al 0.33779080286415 0.16220919713585 0.87500000000000 26.982 > 105 110 Al 0.83779080286415 0.16220919713585 0.87500000000000 26.982 > 105 111 Al 0.33779080286415 0.66220919713585 0.87500000000000 26.982 > 105 112 Al 0.83779080286415 0.66220919713585 0.87500000000000 26.982 > 105 113 Al 0.16220919713585 0.33779080286415 0.12500000000000 26.982 > 113 114 Al 0.66220919713585 0.33779080286415 0.12500000000000 26.982 > 113 115 Al 0.16220919713585 0.83779080286415 0.12500000000000 26.982 > 113 116 Al 0.66220919713585 0.83779080286415 0.12500000000000 26.982 > 113 117 Al 0.16220919713585 0.33779080286415 0.62500000000000 26.982 > 113 118 Al 0.66220919713585 0.33779080286415 0.62500000000000 26.982 > 113 119 Al 0.16220919713585 0.83779080286415 0.62500000000000 26.982 > 113 120 Al 0.66220919713585 0.83779080286415 0.62500000000000 26.982 > 113 121 Al 0.08779080286415 0.08779080286415 0.00000000000000 26.982 > 121 122 Al 0.58779080286415 0.08779080286415 0.00000000000000 26.982 > 121 123 Al 0.08779080286415 0.58779080286415 0.00000000000000 26.982 > 121 124 Al 0.58779080286415 0.58779080286415 0.00000000000000 26.982 > 121 125 Al 0.08779080286415 0.08779080286415 0.50000000000000 26.982 > 121 126 Al 0.58779080286415 0.08779080286415 0.50000000000000 26.982 > 121 127 Al 0.08779080286415 0.58779080286415 0.50000000000000 26.982 > 121 128 Al 0.58779080286415 0.58779080286415 0.50000000000000 26.982 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8009529 0.0000000 0.0000000 0.0000000 2.8009529 0.0000000 0.0000000 0.0000000 2.7333755 -------------------------- Born effective charges -------------------------- 1 Li 1.0010672 -0.0530655 -0.0160023 -0.0530655 1.0010672 -0.0160023 0.0108391 0.0108391 1.0220068 2 Li 1.0010672 0.0530655 0.0160023 0.0530655 1.0010672 -0.0160023 -0.0108391 0.0108391 1.0220068 3 Li 1.0010672 -0.0530655 0.0160023 -0.0530655 1.0010672 0.0160023 -0.0108391 -0.0108391 1.0220068 4 Li 1.0010672 0.0530655 -0.0160023 0.0530655 1.0010672 0.0160023 0.0108391 -0.0108391 1.0220068 5 O -1.4960868 -0.1738884 -0.0791656 -0.1537653 -2.0258797 -0.2290410 -0.1398630 -0.2444067 -1.7080911 6 O -2.0258797 0.1537653 0.2290410 0.1738884 -1.4960868 -0.0791656 0.2444067 -0.1398630 -1.7080911 7 O -1.4960868 0.1738884 0.0791656 0.1537653 -2.0258797 -0.2290410 0.1398630 -0.2444067 -1.7080911 8 O -2.0258797 0.1537653 -0.2290410 0.1738884 -1.4960868 0.0791656 -0.2444067 0.1398630 -1.7080911 9 O -1.4960868 0.1738884 -0.0791656 0.1537653 -2.0258797 0.2290410 -0.1398630 0.2444067 -1.7080911 10 O -2.0258797 -0.1537653 -0.2290410 -0.1738884 -1.4960868 -0.0791656 -0.2444067 -0.1398630 -1.7080911 11 O -2.0258797 -0.1537653 0.2290410 -0.1738884 -1.4960868 0.0791656 0.2444067 0.1398630 -1.7080911 12 O -1.4960868 -0.1738884 0.0791656 -0.1537653 -2.0258797 0.2290410 0.1398630 0.2444067 -1.7080911 13 Al 2.5208992 0.0865456 0.0645991 0.0865456 2.5208992 -0.0645991 -0.1120663 0.1120663 2.3941755 14 Al 2.5208992 -0.0865456 0.0645991 -0.0865456 2.5208992 0.0645991 -0.1120663 -0.1120663 2.3941755 15 Al 2.5208992 -0.0865456 -0.0645991 -0.0865456 2.5208992 -0.0645991 0.1120663 0.1120663 2.3941755 16 Al 2.5208992 0.0865456 -0.0645991 0.0865456 2.5208992 0.0645991 0.1120663 -0.1120663 2.3941755 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) 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 ... [ 10 10 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.75, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 5.463 ( -0.000 0.000 -0.000) 0.000 5.463 ( 0.000 0.000 -0.000) 0.000 6.831 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 7.741 ( -0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 -0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 9.519 ( 0.000 0.000 0.000) 0.000 9.519 ( 0.000 0.000 -0.000) 0.000 9.613 ( 0.000 0.000 0.000) 0.000 9.876 ( 0.000 0.000 0.000) 0.000 10.570 ( 0.000 0.000 -0.000) 0.000 10.570 ( -0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 11.019 ( 0.000 0.000 0.000) 0.000 12.707 ( 0.000 -0.000 0.000) 0.000 13.168 ( 0.000 0.000 0.000) 0.000 13.168 ( 0.000 0.000 0.000) 0.000 13.843 ( 0.000 -0.000 0.000) 0.000 14.070 ( 0.000 0.000 0.000) 0.000 14.070 ( 0.000 0.000 -0.000) 0.000 14.890 ( 0.000 0.000 0.000) 0.000 14.890 ( 0.000 0.000 -0.000) 0.000 15.015 ( 0.000 0.000 0.000) 0.000 15.095 ( 0.000 0.000 0.000) 0.000 15.164 ( 0.000 0.000 0.000) 0.000 16.083 ( -0.000 0.000 0.000) 0.000 16.244 ( -0.000 0.000 -0.000) 0.000 16.244 ( -0.000 -0.000 0.000) 0.000 18.188 ( 0.000 0.000 0.000) 0.000 18.924 ( -0.000 0.000 0.000) 0.000 19.755 ( 0.000 0.000 0.000) 0.000 20.039 ( -0.000 -0.000 -0.000) 0.000 20.039 ( 0.000 0.000 0.000) 0.000 23.266 ( 0.000 0.000 0.000) 0.000 23.475 ( 0.000 0.000 0.000) 0.000 23.911 ( -0.000 0.000 0.000) 0.000 23.911 ( 0.000 0.000 0.000) 0.000 24.043 ( 0.000 0.000 0.000) 0.000 24.131 ( 0.000 0.000 0.000) 0.000 24.913 ( -0.000 0.000 -0.000) 0.000 24.913 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 47.520 0.000 0.000) 47.520 0.981 ( 48.175 0.000 0.000) 48.175 1.415 ( 72.299 0.000 0.000) 72.299 3.749 ( 17.679 0.000 0.000) 17.679 5.428 ( -5.929 0.000 0.000) 5.929 5.524 ( 5.752 0.000 0.000) 5.752 6.783 ( -5.547 0.000 0.000) 5.547 7.592 ( -12.634 0.000 0.000) 12.634 7.611 ( -18.658 0.000 0.000) 18.658 7.829 ( -4.160 0.000 0.000) 4.160 8.254 ( 1.397 0.000 0.000) 1.397 8.959 ( 6.526 0.000 0.000) 6.526 9.005 ( -4.129 0.000 0.000) 4.129 9.284 ( -16.027 0.000 0.000) 16.027 9.641 ( -12.435 0.000 0.000) 12.435 9.716 ( 3.765 0.000 0.000) 3.765 9.861 ( -4.269 0.000 0.000) 4.269 10.565 ( -1.266 0.000 0.000) 1.266 10.629 ( -9.495 0.000 0.000) 9.495 11.114 ( 8.528 0.000 0.000) 8.528 11.648 ( 12.303 0.000 0.000) 12.303 12.784 ( 7.708 0.000 0.000) 7.708 12.951 ( -22.186 0.000 0.000) 22.186 13.295 ( -11.776 0.000 0.000) 11.776 13.641 ( -13.178 0.000 0.000) 13.178 14.212 ( 7.057 0.000 0.000) 7.057 14.498 ( 13.794 0.000 0.000) 13.794 14.723 ( -11.189 0.000 0.000) 11.189 15.008 ( -0.280 0.000 0.000) 0.280 15.091 ( 4.363 0.000 0.000) 4.363 15.284 ( 7.783 0.000 0.000) 7.783 15.378 ( 14.762 0.000 0.000) 14.762 16.084 ( 0.160 0.000 0.000) 0.160 16.237 ( -0.742 0.000 0.000) 0.742 17.722 ( -4.444 0.000 0.000) 4.444 18.361 ( 15.852 0.000 0.000) 15.852 18.987 ( 5.883 0.000 0.000) 5.883 19.714 ( -4.074 0.000 0.000) 4.074 20.113 ( 6.813 0.000 0.000) 6.813 20.114 ( -1.805 0.000 0.000) 1.805 23.262 ( -0.338 0.000 0.000) 0.338 23.468 ( -0.704 0.000 0.000) 0.704 23.885 ( -1.500 0.000 0.000) 1.500 24.115 ( -1.626 0.000 0.000) 1.626 24.134 ( 8.003 0.000 0.000) 8.003 24.914 ( 0.558 0.000 0.000) 0.558 24.947 ( 3.709 0.000 0.000) 3.709 27.493 ( -6.411 0.000 0.000) 6.411 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 44.788 0.000 0.000) 44.788 1.898 ( 46.369 0.000 0.000) 46.369 2.770 ( 66.535 0.000 0.000) 66.535 4.183 ( 24.724 0.000 0.000) 24.724 5.269 ( -9.845 0.000 0.000) 9.845 5.634 ( 3.258 0.000 0.000) 3.258 6.587 ( -14.935 0.000 0.000) 14.935 7.181 ( -19.919 0.000 0.000) 19.919 7.316 ( -13.193 0.000 0.000) 13.193 7.771 ( -4.805 0.000 0.000) 4.805 8.299 ( 2.797 0.000 0.000) 2.797 8.837 ( -13.462 0.000 0.000) 13.462 8.944 ( -12.694 0.000 0.000) 12.694 9.091 ( 1.757 0.000 0.000) 1.757 9.433 ( -7.888 0.000 0.000) 7.888 9.742 ( -0.679 0.000 0.000) 0.679 9.743 ( -6.760 0.000 0.000) 6.760 10.436 ( -8.715 0.000 0.000) 8.715 10.472 ( -9.993 0.000 0.000) 9.993 11.276 ( 5.926 0.000 0.000) 5.926 11.900 ( 12.615 0.000 0.000) 12.615 12.392 ( -31.748 0.000 0.000) 31.748 12.846 ( -10.467 0.000 0.000) 10.467 13.171 ( 8.860 0.000 0.000) 8.860 13.377 ( -14.848 0.000 0.000) 14.848 14.251 ( -2.750 0.000 0.000) 2.750 14.605 ( 0.261 0.000 0.000) 0.261 14.745 ( 8.305 0.000 0.000) 8.305 15.031 ( 2.576 0.000 0.000) 2.576 15.309 ( 18.705 0.000 0.000) 18.705 15.399 ( 3.681 0.000 0.000) 3.681 15.666 ( 14.185 0.000 0.000) 14.185 16.091 ( 0.675 0.000 0.000) 0.675 16.216 ( -1.424 0.000 0.000) 1.424 17.661 ( -1.019 0.000 0.000) 1.019 18.748 ( 23.192 0.000 0.000) 23.192 19.118 ( 6.600 0.000 0.000) 6.600 19.600 ( -7.499 0.000 0.000) 7.499 20.064 ( -3.387 0.000 0.000) 3.387 20.264 ( 7.659 0.000 0.000) 7.659 23.257 ( 0.029 0.000 0.000) 0.029 23.448 ( -1.336 0.000 0.000) 1.336 23.867 ( -0.423 0.000 0.000) 0.423 24.072 ( -2.691 0.000 0.000) 2.691 24.319 ( 10.414 0.000 0.000) 10.414 24.923 ( 0.230 0.000 0.000) 0.230 25.072 ( 9.701 0.000 0.000) 9.701 27.310 ( -12.431 0.000 0.000) 12.431 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 39.977 0.000 0.000) 39.977 2.765 ( 43.042 0.000 0.000) 43.042 3.879 ( 41.681 0.000 0.000) 41.681 4.581 ( 14.101 0.000 0.000) 14.101 5.113 ( -4.422 0.000 0.000) 4.422 5.561 ( -10.943 0.000 0.000) 10.943 6.294 ( -10.145 0.000 0.000) 10.145 6.992 ( 1.178 0.000 0.000) 1.178 7.154 ( -1.902 0.000 0.000) 1.902 7.600 ( -12.440 0.000 0.000) 12.440 8.342 ( 0.521 0.000 0.000) 0.521 8.525 ( -16.544 0.000 0.000) 16.544 8.734 ( -8.040 0.000 0.000) 8.040 9.121 ( -0.080 0.000 0.000) 0.080 9.333 ( -2.914 0.000 0.000) 2.914 9.624 ( -5.173 0.000 0.000) 5.173 9.699 ( -3.538 0.000 0.000) 3.538 10.114 ( -27.780 0.000 0.000) 27.780 10.340 ( -0.696 0.000 0.000) 0.696 11.230 ( -12.972 0.000 0.000) 12.972 11.926 ( -11.620 0.000 0.000) 11.620 12.122 ( 10.255 0.000 0.000) 10.255 12.543 ( -16.301 0.000 0.000) 16.301 13.071 ( -15.936 0.000 0.000) 15.936 13.471 ( 17.411 0.000 0.000) 17.411 14.182 ( -3.395 0.000 0.000) 3.395 14.673 ( 5.119 0.000 0.000) 5.119 14.830 ( 1.986 0.000 0.000) 1.986 15.097 ( 3.991 0.000 0.000) 3.991 15.423 ( -1.018 0.000 0.000) 1.018 15.702 ( 17.898 0.000 0.000) 17.898 15.920 ( 12.331 0.000 0.000) 12.331 16.112 ( 1.461 0.000 0.000) 1.461 16.183 ( -1.933 0.000 0.000) 1.933 17.715 ( 7.511 0.000 0.000) 7.511 19.153 ( -6.945 0.000 0.000) 6.945 19.225 ( 25.218 0.000 0.000) 25.218 19.489 ( -0.273 0.000 0.000) 0.273 19.985 ( -4.623 0.000 0.000) 4.623 20.367 ( 2.095 0.000 0.000) 2.095 23.268 ( 1.103 0.000 0.000) 1.103 23.418 ( -1.811 0.000 0.000) 1.811 23.867 ( 0.356 0.000 0.000) 0.356 24.015 ( -3.026 0.000 0.000) 3.026 24.511 ( 9.005 0.000 0.000) 9.005 24.916 ( -1.212 0.000 0.000) 1.212 25.337 ( 17.659 0.000 0.000) 17.659 27.017 ( -17.660 0.000 0.000) 17.660 ======================= Grid point 4 (5/105) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 31.427 0.000 0.000) 31.427 3.557 ( 38.597 0.000 0.000) 38.597 4.121 ( -9.765 0.000 0.000) 9.765 4.726 ( -10.631 0.000 0.000) 10.631 5.097 ( 6.498 0.000 0.000) 6.498 5.319 ( -10.740 0.000 0.000) 10.740 6.355 ( 14.879 0.000 0.000) 14.879 7.038 ( -6.798 0.000 0.000) 6.798 7.361 ( 26.280 0.000 0.000) 26.280 7.433 ( 3.863 0.000 0.000) 3.863 8.122 ( -18.657 0.000 0.000) 18.657 8.430 ( 2.973 0.000 0.000) 2.973 8.605 ( -6.465 0.000 0.000) 6.465 8.973 ( -23.303 0.000 0.000) 23.303 9.310 ( 0.347 0.000 0.000) 0.347 9.522 ( -22.935 0.000 0.000) 22.935 9.554 ( -1.863 0.000 0.000) 1.863 9.618 ( -4.396 0.000 0.000) 4.396 10.404 ( 6.909 0.000 0.000) 6.909 10.892 ( -17.810 0.000 0.000) 17.810 11.883 ( 3.425 0.000 0.000) 3.425 12.193 ( -9.119 0.000 0.000) 9.119 12.376 ( 5.893 0.000 0.000) 5.893 12.787 ( -13.233 0.000 0.000) 13.233 13.779 ( 13.699 0.000 0.000) 13.699 14.112 ( -4.414 0.000 0.000) 4.414 14.771 ( 4.507 0.000 0.000) 4.507 14.850 ( 0.235 0.000 0.000) 0.235 15.182 ( 4.794 0.000 0.000) 4.794 15.371 ( -4.068 0.000 0.000) 4.068 15.943 ( 8.091 0.000 0.000) 8.091 16.121 ( 7.026 0.000 0.000) 7.026 16.123 ( -1.941 0.000 0.000) 1.941 16.162 ( 1.036 0.000 0.000) 1.036 17.975 ( 19.059 0.000 0.000) 19.059 18.856 ( -20.944 0.000 0.000) 20.944 19.582 ( 7.271 0.000 0.000) 7.271 19.678 ( 19.045 0.000 0.000) 19.045 19.898 ( -2.543 0.000 0.000) 2.543 20.322 ( -6.933 0.000 0.000) 6.933 23.298 ( 1.921 0.000 0.000) 1.921 23.380 ( -2.080 0.000 0.000) 2.080 23.881 ( 1.154 0.000 0.000) 1.154 23.959 ( -2.737 0.000 0.000) 2.737 24.665 ( 7.084 0.000 0.000) 7.084 24.872 ( -3.341 0.000 0.000) 3.341 25.736 ( 22.807 0.000 0.000) 22.807 26.635 ( -21.640 0.000 0.000) 21.640 ======================= Grid point 5 (6/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.807 ( -20.901 0.000 0.000) 20.901 3.807 ( 20.901 0.000 0.000) 20.901 4.249 ( -32.355 0.000 0.000) 32.355 4.249 ( 32.355 0.000 0.000) 32.355 5.198 ( -3.066 0.000 0.000) 3.066 5.198 ( 3.066 0.000 0.000) 3.066 6.721 ( -20.399 0.000 0.000) 20.399 6.721 ( 20.399 0.000 0.000) 20.399 7.706 ( -16.778 0.000 0.000) 16.778 7.706 ( 16.778 0.000 0.000) 16.778 8.162 ( -43.647 0.000 0.000) 43.647 8.162 ( 43.647 0.000 0.000) 43.647 8.522 ( -6.794 0.000 0.000) 6.794 8.522 ( 6.794 0.000 0.000) 6.794 9.341 ( -2.985 0.000 0.000) 2.985 9.341 ( 2.985 0.000 0.000) 2.985 9.553 ( -1.769 0.000 0.000) 1.769 9.553 ( 1.769 0.000 0.000) 1.769 10.595 ( -12.688 0.000 0.000) 12.688 10.595 ( 12.688 0.000 0.000) 12.688 12.001 ( -8.440 0.000 0.000) 8.440 12.001 ( 8.440 0.000 0.000) 8.440 12.557 ( -10.727 0.000 0.000) 10.727 12.557 ( 10.727 0.000 0.000) 10.727 13.992 ( -8.363 0.000 0.000) 8.363 13.992 ( 8.363 0.000 0.000) 8.363 14.835 ( -1.962 0.000 0.000) 1.962 14.835 ( 1.962 0.000 0.000) 1.962 15.279 ( -5.086 0.000 0.000) 5.086 15.279 ( 5.086 0.000 0.000) 5.086 16.059 ( -4.419 0.000 0.000) 4.419 16.059 ( 4.419 0.000 0.000) 4.419 16.182 ( -0.065 0.000 0.000) 0.065 16.182 ( 0.065 0.000 0.000) 0.065 18.408 ( -24.147 0.000 0.000) 24.147 18.408 ( 24.147 0.000 0.000) 24.147 19.722 ( -6.507 0.000 0.000) 6.507 19.722 ( 6.507 0.000 0.000) 6.507 20.103 ( -15.208 0.000 0.000) 15.208 20.103 ( 15.208 0.000 0.000) 15.208 23.338 ( -2.151 0.000 0.000) 2.151 23.338 ( 2.151 0.000 0.000) 2.151 23.912 ( -2.028 0.000 0.000) 2.028 23.912 ( 2.028 0.000 0.000) 2.028 24.787 ( -5.417 0.000 0.000) 5.417 24.787 ( 5.417 0.000 0.000) 5.417 26.192 ( -23.710 0.000 0.000) 23.710 26.192 ( 23.710 0.000 0.000) 23.710 ======================= Grid point 12 (7/105) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 29.440 29.440 0.000) 41.635 1.291 ( 32.434 32.434 0.000) 45.868 2.120 ( 53.324 53.324 0.000) 75.412 3.867 ( 14.721 14.721 0.000) 20.819 5.466 ( -1.002 -1.002 0.000) 1.417 5.498 ( 1.588 1.588 0.000) 2.246 6.729 ( -5.843 -5.843 0.000) 8.263 7.435 ( -14.123 -14.123 0.000) 19.973 7.611 ( -12.422 -12.422 0.000) 17.568 7.671 ( -3.356 -3.356 0.000) 4.746 8.228 ( -1.046 -1.046 0.000) 1.479 8.828 ( -11.391 -11.391 0.000) 16.109 9.056 ( 3.466 3.466 0.000) 4.902 9.187 ( -7.690 -7.690 0.000) 10.875 9.576 ( -7.703 -7.703 0.000) 10.893 9.589 ( -6.050 -6.050 0.000) 8.556 9.993 ( 5.601 5.601 0.000) 7.921 10.462 ( -14.101 -14.101 0.000) 19.942 10.742 ( 6.657 6.657 0.000) 9.414 11.115 ( 1.980 1.980 0.000) 2.800 11.623 ( 6.885 6.885 0.000) 9.737 12.745 ( -19.062 -19.062 0.000) 26.958 12.836 ( 4.507 4.507 0.000) 6.374 13.273 ( -7.053 -7.053 0.000) 9.975 13.486 ( -13.628 -13.628 0.000) 19.273 14.365 ( 8.096 8.096 0.000) 11.449 14.441 ( 6.517 6.517 0.000) 9.216 14.728 ( -2.224 -2.224 0.000) 3.145 15.033 ( -0.320 -0.320 0.000) 0.453 15.110 ( 3.805 3.805 0.000) 5.381 15.391 ( 7.223 7.223 0.000) 10.214 15.456 ( 10.280 10.280 0.000) 14.538 16.082 ( -0.224 -0.224 0.000) 0.317 16.276 ( 1.978 1.978 0.000) 2.798 17.737 ( -2.252 -2.252 0.000) 3.184 18.395 ( 9.847 9.847 0.000) 13.926 19.061 ( 6.988 6.988 0.000) 9.883 19.739 ( -5.752 -5.752 0.000) 8.134 20.111 ( 3.702 3.702 0.000) 5.235 20.157 ( 5.637 5.637 0.000) 7.972 23.257 ( -0.453 -0.453 0.000) 0.641 23.462 ( -0.611 -0.611 0.000) 0.864 23.890 ( -1.045 -1.045 0.000) 1.478 24.061 ( -2.436 -2.436 0.000) 3.446 24.206 ( 6.567 6.567 0.000) 9.286 24.927 ( 0.795 0.795 0.000) 1.124 24.980 ( 4.052 4.052 0.000) 5.731 27.452 ( -5.204 -5.204 0.000) 7.360 ======================= Grid point 13 (8/105) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 43.635 7.298 0.000) 44.241 2.011 ( 39.551 20.083 0.000) 44.357 3.213 ( 56.616 37.923 0.000) 68.143 4.275 ( 24.390 10.703 0.000) 26.635 5.327 ( -9.746 5.631 0.000) 11.256 5.613 ( 5.440 -2.432 0.000) 5.958 6.529 ( -15.143 -5.519 0.000) 16.118 7.108 ( -16.623 -14.231 0.000) 21.883 7.266 ( -15.957 1.445 0.000) 16.022 7.674 ( -1.548 -9.535 0.000) 9.659 8.228 ( 0.609 -5.633 0.000) 5.665 8.593 ( -11.996 -16.157 0.000) 20.123 8.907 ( -13.414 -8.883 0.000) 16.088 9.179 ( 1.678 7.455 0.000) 7.641 9.411 ( -7.116 -3.602 0.000) 7.976 9.500 ( -4.753 -9.774 0.000) 10.868 9.965 ( -10.152 5.631 0.000) 11.609 10.233 ( -5.093 -12.120 0.000) 13.146 10.697 ( -8.648 15.084 0.000) 17.387 11.237 ( 6.740 -5.293 0.000) 8.569 11.854 ( 13.220 -0.589 0.000) 13.233 12.261 ( -28.943 -13.623 0.000) 31.989 12.770 ( -15.445 -7.384 0.000) 17.119 13.166 ( -4.718 -6.600 0.000) 8.113 13.272 ( -0.419 -4.366 0.000) 4.386 14.363 ( -4.561 11.528 0.000) 12.397 14.640 ( 6.860 5.613 0.000) 8.863 14.809 ( 9.590 1.282 0.000) 9.675 15.041 ( 2.199 1.523 0.000) 2.675 15.261 ( 13.004 -2.384 0.000) 13.221 15.491 ( 3.862 8.017 0.000) 8.899 15.718 ( 13.827 5.815 0.000) 15.000 16.077 ( -0.139 -1.371 0.000) 1.378 16.304 ( 1.323 6.928 0.000) 7.054 17.663 ( -3.301 -0.326 0.000) 3.317 18.722 ( 21.104 0.857 0.000) 21.121 19.217 ( 7.663 9.180 0.000) 11.958 19.544 ( -10.948 -8.811 0.000) 14.053 20.162 ( 1.284 11.678 0.000) 11.748 20.327 ( 8.894 5.103 0.000) 10.254 23.249 ( -0.141 -0.750 0.000) 0.763 23.445 ( -1.225 -0.374 0.000) 1.281 23.860 ( -1.411 -0.899 0.000) 1.673 24.015 ( -2.617 -4.945 0.000) 5.595 24.372 ( 9.665 5.302 0.000) 11.024 24.942 ( 0.609 1.786 0.000) 1.887 25.113 ( 10.057 4.394 0.000) 10.975 27.287 ( -11.706 -3.050 0.000) 12.096 ======================= Grid point 14 (9/105) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 40.425 4.370 0.000) 40.660 2.778 ( 39.640 10.691 0.000) 41.056 4.159 ( 33.185 24.857 0.000) 41.463 4.678 ( 16.216 10.740 0.000) 19.450 5.153 ( -6.800 4.072 0.000) 7.926 5.615 ( -6.685 4.896 0.000) 8.286 6.243 ( -8.395 -5.102 0.000) 9.824 6.925 ( -0.975 -17.721 0.000) 17.748 7.062 ( -4.222 3.652 0.000) 5.582 7.581 ( -6.778 -4.087 0.000) 7.916 8.249 ( 1.909 -9.544 0.000) 9.733 8.367 ( -12.995 -11.312 0.000) 17.229 8.665 ( -9.993 -8.172 0.000) 12.909 9.144 ( -7.104 -0.895 0.000) 7.160 9.323 ( -1.132 -3.255 0.000) 3.447 9.394 ( -5.971 -8.797 0.000) 10.633 9.725 ( -11.355 -5.858 0.000) 12.777 10.206 ( -2.800 7.054 0.000) 7.589 10.450 ( -14.257 10.884 0.000) 17.937 11.230 ( -11.024 -1.239 0.000) 11.093 11.780 ( -13.285 -13.643 0.000) 19.043 12.090 ( 9.109 -2.753 0.000) 9.516 12.430 ( -16.180 -9.812 0.000) 18.923 12.928 ( -13.589 -14.559 0.000) 19.915 13.502 ( 15.501 3.603 0.000) 15.914 14.261 ( -5.305 8.216 0.000) 9.780 14.765 ( 6.379 8.640 0.000) 10.740 14.920 ( 2.601 6.553 0.000) 7.050 15.117 ( 5.020 2.571 0.000) 5.640 15.470 ( 1.540 2.209 0.000) 2.692 15.643 ( 15.404 -3.664 0.000) 15.834 15.942 ( 8.514 5.597 0.000) 10.190 16.087 ( 1.579 -2.641 0.000) 3.077 16.337 ( 2.100 12.224 0.000) 12.403 17.664 ( 4.631 -4.205 0.000) 6.255 19.024 ( -3.100 -7.677 0.000) 8.279 19.304 ( 12.116 1.487 0.000) 12.207 19.499 ( 7.203 3.107 0.000) 7.844 20.158 ( -1.685 15.777 0.000) 15.867 20.443 ( 2.387 7.076 0.000) 7.467 23.257 ( 1.028 -1.015 0.000) 1.445 23.415 ( -1.821 -0.222 0.000) 1.834 23.843 ( -0.330 -2.232 0.000) 2.256 23.961 ( -2.835 -5.140 0.000) 5.870 24.553 ( 8.666 4.243 0.000) 9.649 24.942 ( -0.773 2.730 0.000) 2.838 25.380 ( 17.391 4.298 0.000) 17.914 27.007 ( -16.977 -1.418 0.000) 17.036 ======================= Grid point 15 (10/105) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( 29.876 7.787 0.000) 30.874 3.539 ( 37.369 1.618 0.000) 37.404 4.264 ( -11.735 12.403 0.000) 17.075 4.802 ( -16.535 7.248 0.000) 18.053 5.178 ( 12.434 9.116 0.000) 15.418 5.404 ( -10.423 7.698 0.000) 12.957 6.328 ( 13.330 -3.055 0.000) 13.676 6.895 ( -7.126 -14.436 0.000) 16.099 7.242 ( 22.701 -1.900 0.000) 22.780 7.561 ( 10.672 2.519 0.000) 10.965 8.057 ( -18.195 -6.046 0.000) 19.173 8.305 ( 3.397 -11.138 0.000) 11.645 8.526 ( -5.469 -8.288 0.000) 9.930 8.834 ( -25.910 -12.798 0.000) 28.899 9.312 ( -0.927 -0.990 0.000) 1.356 9.361 ( 2.549 -3.551 0.000) 4.372 9.548 ( -6.499 -3.687 0.000) 7.472 9.890 ( -21.785 18.532 0.000) 28.601 10.419 ( 7.150 0.621 0.000) 7.177 10.905 ( -17.497 0.143 0.000) 17.498 11.726 ( 3.413 -14.408 0.000) 14.806 12.059 ( -11.881 -12.027 0.000) 16.906 12.343 ( 7.129 -3.589 0.000) 7.981 12.692 ( -10.692 -9.942 0.000) 14.600 13.787 ( 13.246 1.789 0.000) 13.366 14.153 ( -6.271 4.619 0.000) 7.789 14.876 ( 4.691 9.345 0.000) 10.456 14.948 ( 0.563 8.130 0.000) 8.150 15.222 ( 5.729 4.099 0.000) 7.045 15.432 ( -4.064 5.275 0.000) 6.659 15.896 ( 8.968 -7.502 0.000) 11.692 16.023 ( 0.620 -0.901 0.000) 1.094 16.165 ( 6.187 4.237 0.000) 7.498 16.358 ( -0.926 14.170 0.000) 14.200 17.874 ( 16.983 -8.593 0.000) 19.033 18.717 ( -21.293 -11.547 0.000) 24.222 19.657 ( 13.292 -0.006 0.000) 13.292 19.675 ( 12.436 6.304 0.000) 13.942 20.118 ( -0.940 18.728 0.000) 18.751 20.405 ( -6.351 8.334 0.000) 10.478 23.288 ( 2.009 -1.000 0.000) 2.244 23.375 ( -2.227 -0.367 0.000) 2.258 23.847 ( 0.674 -3.312 0.000) 3.380 23.909 ( -2.434 -4.784 0.000) 5.368 24.705 ( 7.038 3.995 0.000) 8.093 24.906 ( -3.032 3.503 0.000) 4.633 25.769 ( 22.114 3.183 0.000) 22.342 26.638 ( -20.907 0.107 0.000) 20.907 ======================= Grid point 16 (11/105) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( -16.667 5.251 0.000) 17.475 3.859 ( 16.667 5.251 0.000) 17.475 4.304 ( -28.744 5.885 0.000) 29.340 4.304 ( 28.744 5.885 0.000) 29.340 5.301 ( -2.100 9.772 0.000) 9.995 5.301 ( 2.100 9.772 0.000) 9.995 6.639 ( -16.982 -7.281 0.000) 18.477 6.639 ( 16.982 -7.281 0.000) 18.477 7.673 ( -19.692 -2.935 0.000) 19.909 7.673 ( 19.692 -2.935 0.000) 19.909 8.114 ( -36.428 -8.180 0.000) 37.335 8.114 ( 36.428 -8.180 0.000) 37.335 8.436 ( -2.331 -6.054 0.000) 6.488 8.436 ( 2.331 -6.054 0.000) 6.488 9.339 ( -3.404 -0.470 0.000) 3.437 9.339 ( 3.404 -0.470 0.000) 3.437 9.582 ( -9.799 3.504 0.000) 10.407 9.582 ( 9.799 3.504 0.000) 10.407 10.614 ( -12.554 0.922 0.000) 12.588 10.614 ( 12.554 0.922 0.000) 12.588 11.848 ( -8.901 -13.791 0.000) 16.414 11.848 ( 8.901 -13.791 0.000) 16.414 12.505 ( -8.946 -5.753 0.000) 10.636 12.505 ( 8.946 -5.753 0.000) 10.636 14.005 ( -9.278 2.173 0.000) 9.529 14.005 ( 9.278 2.173 0.000) 9.529 14.938 ( -1.762 8.984 0.000) 9.155 14.938 ( 1.762 8.984 0.000) 9.155 15.334 ( -5.655 5.093 0.000) 7.610 15.334 ( 5.655 5.093 0.000) 7.610 16.001 ( -2.786 -5.408 0.000) 6.084 16.001 ( 2.786 -5.408 0.000) 6.084 16.289 ( -5.749 10.692 0.000) 12.139 16.289 ( 5.749 10.692 0.000) 12.139 18.277 ( -23.112 -11.051 0.000) 25.618 18.277 ( 23.112 -11.051 0.000) 25.618 19.798 ( -3.194 4.639 0.000) 5.632 19.798 ( 3.194 4.639 0.000) 5.632 20.221 ( -10.857 12.660 0.000) 16.678 20.221 ( 10.857 12.660 0.000) 16.678 23.331 ( -2.332 -0.713 0.000) 2.438 23.331 ( 2.332 -0.713 0.000) 2.438 23.869 ( -1.639 -4.144 0.000) 4.457 23.869 ( 1.639 -4.144 0.000) 4.457 24.825 ( -5.301 3.906 0.000) 6.585 24.825 ( 5.301 3.906 0.000) 6.585 26.210 ( -22.942 1.661 0.000) 23.002 26.210 ( 22.942 1.661 0.000) 23.002 ======================= Grid point 24 (12/105) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 27.699 27.699 0.000) 39.172 2.525 ( 30.901 30.901 0.000) 43.701 4.030 ( 43.178 43.178 0.000) 61.063 4.601 ( 20.906 20.906 0.000) 29.565 5.420 ( -1.104 -1.104 0.000) 1.561 5.569 ( 2.320 2.320 0.000) 3.281 6.381 ( -10.285 -10.285 0.000) 14.545 6.728 ( -20.732 -20.732 0.000) 29.320 7.269 ( -4.519 -4.519 0.000) 6.391 7.490 ( -6.009 -6.009 0.000) 8.497 8.136 ( -3.975 -3.975 0.000) 5.621 8.301 ( -12.040 -12.040 0.000) 17.027 8.690 ( -12.717 -12.717 0.000) 17.985 9.251 ( -1.839 -1.839 0.000) 2.601 9.280 ( -11.196 -11.196 0.000) 15.834 9.377 ( -1.199 -1.199 0.000) 1.696 9.825 ( -14.225 -14.225 0.000) 20.117 10.179 ( 3.907 3.907 0.000) 5.526 10.917 ( 0.899 0.899 0.000) 1.271 11.117 ( -1.280 -1.280 0.000) 1.810 11.890 ( -23.385 -23.385 0.000) 33.072 11.937 ( 7.382 7.382 0.000) 10.440 12.558 ( -15.162 -15.162 0.000) 21.442 12.828 ( -19.238 -19.238 0.000) 27.206 13.387 ( 10.515 10.515 0.000) 14.871 14.568 ( 2.088 2.088 0.000) 2.952 14.779 ( 8.162 8.162 0.000) 11.543 14.835 ( 7.120 7.120 0.000) 10.069 15.093 ( 4.158 4.158 0.000) 5.880 15.277 ( 4.065 4.065 0.000) 5.748 15.634 ( 5.452 5.452 0.000) 7.711 15.904 ( 12.721 12.721 0.000) 17.990 16.042 ( -2.160 -2.160 0.000) 3.055 16.437 ( 6.954 6.954 0.000) 9.835 17.629 ( -3.070 -3.070 0.000) 4.342 18.865 ( 13.485 13.485 0.000) 19.070 19.281 ( -15.366 -15.366 0.000) 21.731 19.434 ( 11.385 11.385 0.000) 16.101 20.421 ( 7.246 7.246 0.000) 10.247 20.430 ( 10.034 10.034 0.000) 14.190 23.234 ( -0.586 -0.586 0.000) 0.829 23.434 ( -0.789 -0.789 0.000) 1.116 23.830 ( -2.077 -2.077 0.000) 2.937 23.917 ( -4.666 -4.666 0.000) 6.598 24.506 ( 8.006 8.006 0.000) 11.322 24.984 ( 2.257 2.257 0.000) 3.191 25.249 ( 9.815 9.815 0.000) 13.880 27.172 ( -8.925 -8.925 0.000) 12.622 ======================= Grid point 25 (13/105) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 35.400 14.320 0.000) 38.187 3.147 ( 32.174 23.709 0.000) 39.966 4.678 ( 11.716 25.891 0.000) 28.418 4.996 ( 24.180 18.644 0.000) 30.533 5.269 ( -11.021 8.633 0.000) 14.000 5.706 ( 4.254 3.449 0.000) 5.477 6.126 ( -9.501 -5.397 0.000) 10.927 6.503 ( 0.154 -22.582 0.000) 22.582 7.170 ( -2.708 5.191 0.000) 5.855 7.407 ( -3.461 -12.418 0.000) 12.892 8.067 ( -1.682 -7.283 0.000) 7.474 8.165 ( -5.299 -8.320 0.000) 9.864 8.445 ( -10.968 -13.295 0.000) 17.235 8.965 ( -19.725 -15.460 0.000) 25.061 9.197 ( -1.938 -7.466 0.000) 7.714 9.372 ( -1.060 0.844 0.000) 1.355 9.606 ( -8.086 -4.924 0.000) 9.468 10.275 ( 5.986 1.253 0.000) 6.115 10.705 ( -18.465 12.193 0.000) 22.127 11.142 ( -5.836 -7.236 0.000) 9.296 11.450 ( -15.337 -19.603 0.000) 24.890 12.061 ( 0.871 0.160 0.000) 0.886 12.225 ( -13.338 -10.154 0.000) 16.763 12.549 ( -9.652 -23.020 0.000) 24.962 13.622 ( 13.105 8.625 0.000) 15.689 14.463 ( -8.449 10.998 0.000) 13.869 14.945 ( 7.782 7.026 0.000) 10.484 15.000 ( 6.647 2.493 0.000) 7.100 15.205 ( 6.457 6.443 0.000) 9.121 15.410 ( 8.478 -4.191 0.000) 9.457 15.703 ( 2.368 6.548 0.000) 6.963 15.998 ( -2.223 -4.715 0.000) 5.212 16.155 ( 12.254 13.669 0.000) 18.357 16.585 ( 7.887 13.124 0.000) 15.311 17.584 ( 0.195 -3.883 0.000) 3.888 18.894 ( -18.048 -7.765 0.000) 19.647 19.256 ( 18.947 -0.840 0.000) 18.965 19.656 ( 10.860 10.237 0.000) 14.925 20.481 ( 1.427 15.019 0.000) 15.087 20.606 ( 4.980 9.123 0.000) 10.393 23.235 ( 0.811 -1.017 0.000) 1.301 23.411 ( -1.628 -0.158 0.000) 1.635 23.790 ( -1.836 -3.107 0.000) 3.609 23.841 ( -3.170 -6.644 0.000) 7.362 24.665 ( 8.131 7.068 0.000) 10.774 25.016 ( 0.734 4.607 0.000) 4.665 25.498 ( 15.835 7.832 0.000) 17.666 26.944 ( -14.416 -5.418 0.000) 15.400 ======================= Grid point 26 (14/105) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( 31.790 8.376 0.000) 32.875 3.737 ( 28.146 16.800 0.000) 32.779 4.536 ( -15.594 14.839 0.000) 21.526 4.961 ( -22.361 7.685 0.000) 23.645 5.437 ( 13.049 14.310 0.000) 19.367 5.572 ( -7.388 9.875 0.000) 12.333 6.227 ( 12.449 -6.959 0.000) 14.262 6.621 ( 3.388 -10.418 0.000) 10.955 7.251 ( 15.040 -0.535 0.000) 15.050 7.448 ( 9.549 -11.682 0.000) 15.088 7.957 ( -15.397 -2.906 0.000) 15.669 8.052 ( -3.124 -15.203 0.000) 15.521 8.336 ( -1.354 -7.547 0.000) 7.667 8.575 ( -18.597 -13.217 0.000) 22.815 9.209 ( 3.370 -8.107 0.000) 8.780 9.358 ( -0.244 -1.434 0.000) 1.454 9.494 ( -1.927 -1.071 0.000) 2.205 10.221 ( -29.731 12.854 0.000) 32.391 10.415 ( 8.475 0.695 0.000) 8.503 10.858 ( -15.615 -5.020 0.000) 16.402 11.408 ( 4.665 -16.581 0.000) 17.225 11.814 ( -15.803 -11.654 0.000) 19.635 12.244 ( 5.287 -6.092 0.000) 8.066 12.421 ( -4.641 -17.143 0.000) 17.760 13.872 ( 12.403 7.021 0.000) 14.252 14.290 ( -9.419 9.045 0.000) 13.059 15.068 ( 4.555 8.715 0.000) 9.834 15.089 ( 2.936 5.687 0.000) 6.400 15.322 ( 5.805 5.248 0.000) 7.826 15.500 ( -0.475 -0.473 0.000) 0.670 15.773 ( 5.368 -2.078 0.000) 5.756 15.950 ( -2.950 -5.877 0.000) 6.576 16.378 ( 11.033 15.921 0.000) 19.370 16.674 ( -0.402 18.035 0.000) 18.040 17.708 ( 13.433 -7.805 0.000) 15.535 18.497 ( -21.966 -10.332 0.000) 24.275 19.626 ( 16.968 -0.685 0.000) 16.982 19.832 ( 6.371 7.111 0.000) 9.547 20.491 ( 0.402 17.717 0.000) 17.721 20.620 ( -2.981 12.758 0.000) 13.101 23.266 ( 2.246 -1.024 0.000) 2.468 23.370 ( -2.560 -0.049 0.000) 2.561 23.765 ( -0.600 -4.841 0.000) 4.878 23.792 ( -1.912 -6.761 0.000) 7.026 24.814 ( 7.097 7.111 0.000) 10.047 25.004 ( -2.122 6.379 0.000) 6.722 25.848 ( 19.812 4.735 0.000) 20.370 26.624 ( -18.447 -1.972 0.000) 18.552 ======================= Grid point 27 (15/105) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.005 ( -13.080 9.589 0.000) 16.219 4.005 ( 13.080 9.589 0.000) 16.219 4.473 ( -21.467 10.909 0.000) 24.080 4.473 ( 21.467 10.909 0.000) 24.080 5.521 ( -2.692 11.281 0.000) 11.598 5.521 ( 2.692 11.281 0.000) 11.598 6.499 ( -13.120 -5.850 0.000) 14.365 6.499 ( 13.120 -5.850 0.000) 14.365 7.616 ( -16.668 -2.278 0.000) 16.823 7.616 ( 16.668 -2.278 0.000) 16.823 7.804 ( -20.834 -20.611 0.000) 29.307 7.804 ( 20.834 -20.611 0.000) 29.307 8.355 ( -4.232 -3.531 0.000) 5.511 8.355 ( 4.232 -3.531 0.000) 5.511 9.296 ( -4.901 -4.653 0.000) 6.758 9.296 ( 4.901 -4.653 0.000) 6.758 9.689 ( -21.659 6.367 0.000) 22.575 9.689 ( 21.659 6.367 0.000) 22.575 10.604 ( -11.134 -1.567 0.000) 11.244 10.604 ( 11.134 -1.567 0.000) 11.244 11.556 ( -10.565 -14.450 0.000) 17.900 11.556 ( 10.565 -14.450 0.000) 17.900 12.338 ( -4.357 -10.939 0.000) 11.775 12.338 ( 4.357 -10.939 0.000) 11.775 14.096 ( -10.699 7.186 0.000) 12.888 14.096 ( 10.699 7.186 0.000) 12.888 15.115 ( -0.392 8.189 0.000) 8.198 15.115 ( 0.392 8.189 0.000) 8.198 15.432 ( -5.304 3.414 0.000) 6.308 15.432 ( 5.304 3.414 0.000) 6.308 15.877 ( -4.720 -6.173 0.000) 7.771 15.877 ( 4.720 -6.173 0.000) 7.771 16.575 ( -8.641 17.879 0.000) 19.858 16.575 ( 8.641 17.879 0.000) 19.858 18.066 ( -21.750 -9.623 0.000) 23.784 18.066 ( 21.750 -9.623 0.000) 23.784 19.852 ( -5.341 1.612 0.000) 5.579 19.852 ( 5.341 1.612 0.000) 5.579 20.534 ( -4.340 17.087 0.000) 17.630 20.534 ( 4.340 17.087 0.000) 17.630 23.316 ( -2.836 -0.555 0.000) 2.890 23.316 ( 2.836 -0.555 0.000) 2.890 23.767 ( -0.710 -6.062 0.000) 6.103 23.767 ( 0.710 -6.062 0.000) 6.103 24.934 ( -5.053 7.133 0.000) 8.742 24.934 ( 5.053 7.133 0.000) 8.742 26.243 ( -20.502 1.391 0.000) 20.550 26.243 ( 20.502 1.391 0.000) 20.550 ======================= Grid point 36 (16/105) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 24.683 24.683 0.000) 34.908 3.638 ( 25.781 25.781 0.000) 36.460 5.076 ( 2.646 2.646 0.000) 3.743 5.113 ( 1.565 1.565 0.000) 2.213 5.465 ( 5.997 5.997 0.000) 8.482 5.801 ( 6.635 6.635 0.000) 9.383 6.085 ( -6.994 -6.994 0.000) 9.892 6.226 ( 9.471 9.471 0.000) 13.393 7.169 ( -11.322 -11.322 0.000) 16.012 7.234 ( 2.389 2.389 0.000) 3.378 7.927 ( -6.809 -6.809 0.000) 9.629 8.170 ( 7.187 7.187 0.000) 10.164 8.182 ( -12.317 -12.317 0.000) 17.420 8.623 ( -18.668 -18.668 0.000) 26.401 9.050 ( -7.011 -7.011 0.000) 9.915 9.344 ( -3.743 -3.743 0.000) 5.293 9.525 ( -3.896 -3.896 0.000) 5.510 10.304 ( 2.047 2.047 0.000) 2.895 10.791 ( -6.447 -6.447 0.000) 9.117 11.041 ( -18.987 -18.987 0.000) 26.852 11.056 ( -1.070 -1.070 0.000) 1.514 12.018 ( -9.844 -9.844 0.000) 13.921 12.112 ( -16.357 -16.357 0.000) 23.133 12.120 ( 0.130 0.130 0.000) 0.184 13.819 ( 11.276 11.276 0.000) 15.947 14.596 ( -0.075 -0.075 0.000) 0.106 14.960 ( 2.283 2.283 0.000) 3.229 15.132 ( 7.072 7.072 0.000) 10.001 15.344 ( 6.245 6.245 0.000) 8.832 15.388 ( 1.693 1.693 0.000) 2.394 15.803 ( 2.905 2.905 0.000) 4.108 15.895 ( -4.997 -4.997 0.000) 7.066 16.443 ( 14.800 14.800 0.000) 20.930 16.855 ( 14.487 14.487 0.000) 20.487 17.515 ( -2.682 -2.682 0.000) 3.793 18.661 ( -15.753 -15.753 0.000) 22.278 19.380 ( 12.430 12.430 0.000) 17.579 19.837 ( 7.848 7.848 0.000) 11.098 20.681 ( 6.188 6.188 0.000) 8.752 20.777 ( 7.165 7.165 0.000) 10.133 23.229 ( 0.547 0.547 0.000) 0.774 23.405 ( -0.653 -0.653 0.000) 0.923 23.722 ( -5.050 -5.050 0.000) 7.142 23.730 ( -3.077 -3.077 0.000) 4.351 24.816 ( 8.188 8.188 0.000) 11.580 25.103 ( 3.726 3.726 0.000) 5.269 25.685 ( 11.593 11.593 0.000) 16.395 26.792 ( -10.296 -10.296 0.000) 14.561 ======================= Grid point 37 (17/105) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( 26.794 15.354 0.000) 30.882 4.101 ( 20.703 19.535 0.000) 28.465 4.790 ( -18.071 8.784 0.000) 20.093 5.037 ( -16.028 -0.860 0.000) 16.051 5.581 ( 5.306 3.733 0.000) 6.487 5.796 ( -4.035 8.426 0.000) 9.343 6.134 ( 13.187 -2.067 0.000) 13.349 6.569 ( 7.373 6.830 0.000) 10.050 7.035 ( 7.551 -17.014 0.000) 18.615 7.362 ( 10.402 0.050 0.000) 10.403 7.770 ( -11.506 -11.205 0.000) 16.061 7.928 ( -13.068 -0.750 0.000) 13.090 8.302 ( -8.498 -11.002 0.000) 13.902 8.345 ( 0.499 4.813 0.000) 4.839 8.999 ( 4.711 -14.237 0.000) 14.996 9.255 ( -5.042 -8.102 0.000) 9.543 9.486 ( 2.649 -0.859 0.000) 2.785 10.252 ( -16.830 -6.058 0.000) 17.887 10.541 ( -6.676 7.008 0.000) 9.679 10.745 ( -9.618 -5.290 0.000) 10.977 11.149 ( 7.429 -8.399 0.000) 11.213 11.655 ( -18.881 -3.815 0.000) 19.263 12.055 ( 1.831 -18.791 0.000) 18.880 12.127 ( -0.307 -7.072 0.000) 7.079 14.044 ( 11.724 10.271 0.000) 15.586 14.476 ( -9.781 9.260 0.000) 13.469 15.086 ( 8.460 -4.321 0.000) 9.499 15.236 ( 3.189 7.067 0.000) 7.753 15.390 ( 0.914 1.691 0.000) 1.923 15.451 ( 1.173 -2.895 0.000) 3.123 15.796 ( -1.028 1.095 0.000) 1.502 15.852 ( -0.889 -2.096 0.000) 2.277 16.711 ( 12.901 17.100 0.000) 21.421 17.046 ( 1.421 20.250 0.000) 20.300 17.573 ( 11.764 -6.586 0.000) 13.482 18.314 ( -19.648 -9.271 0.000) 21.726 19.657 ( 14.352 4.120 0.000) 14.932 19.936 ( 1.705 3.688 0.000) 4.063 20.762 ( 2.997 10.312 0.000) 10.739 20.848 ( 0.368 9.543 0.000) 9.550 23.259 ( 2.458 0.489 0.000) 2.506 23.376 ( -2.456 0.648 0.000) 2.540 23.654 ( -1.823 -6.374 0.000) 6.629 23.678 ( -2.242 -4.767 0.000) 5.268 24.970 ( 7.444 8.692 0.000) 11.444 25.139 ( -0.260 7.042 0.000) 7.047 25.946 ( 15.154 5.448 0.000) 16.104 26.552 ( -14.238 -5.518 0.000) 15.269 ======================= Grid point 38 (18/105) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( -15.958 11.788 0.000) 19.840 4.217 ( 15.958 11.788 0.000) 19.840 4.681 ( -14.575 9.216 0.000) 17.244 4.681 ( 14.574 9.216 0.000) 17.244 5.693 ( -6.548 6.571 0.000) 9.277 5.693 ( 6.548 6.571 0.000) 9.277 6.421 ( -14.183 -3.502 0.000) 14.609 6.421 ( 14.183 -3.502 0.000) 14.609 7.421 ( -20.489 -15.401 0.000) 25.632 7.421 ( 20.489 -15.401 0.000) 25.632 7.641 ( -13.907 4.565 0.000) 14.637 7.641 ( 13.907 4.565 0.000) 14.637 8.270 ( -5.000 -5.024 0.000) 7.088 8.270 ( 5.000 -5.024 0.000) 7.088 9.148 ( -6.590 -10.637 0.000) 12.514 9.148 ( 6.590 -10.637 0.000) 12.514 9.756 ( -24.957 -0.721 0.000) 24.968 9.756 ( 24.957 -0.721 0.000) 24.968 10.594 ( -6.461 1.275 0.000) 6.585 10.594 ( 6.461 1.275 0.000) 6.585 11.345 ( -13.032 -6.196 0.000) 14.430 11.345 ( 13.032 -6.196 0.000) 14.430 12.101 ( -2.259 -13.164 0.000) 13.357 12.101 ( 2.259 -13.164 0.000) 13.357 14.268 ( -11.301 10.064 0.000) 15.133 14.268 ( 11.301 10.064 0.000) 15.133 15.225 ( -4.682 1.852 0.000) 5.034 15.225 ( 4.682 1.852 0.000) 5.034 15.422 ( -2.544 -3.277 0.000) 4.148 15.422 ( 2.544 -3.277 0.000) 4.148 15.818 ( -2.331 0.267 0.000) 2.346 15.818 ( 2.331 0.267 0.000) 2.346 16.937 ( -9.969 18.460 0.000) 20.979 16.937 ( 9.969 18.460 0.000) 20.979 17.917 ( -20.724 -6.026 0.000) 21.583 17.917 ( 20.724 -6.026 0.000) 21.583 19.880 ( -7.689 1.479 0.000) 7.830 19.880 ( 7.689 1.479 0.000) 7.830 20.817 ( -2.706 11.435 0.000) 11.750 20.817 ( 2.706 11.435 0.000) 11.750 23.317 ( -3.342 0.745 0.000) 3.424 23.317 ( 3.342 0.745 0.000) 3.424 23.647 ( -0.852 -6.053 0.000) 6.113 23.647 ( 0.852 -6.053 0.000) 6.113 25.090 ( -4.634 8.663 0.000) 9.824 25.090 ( 4.634 8.663 0.000) 9.824 26.254 ( -16.151 -0.361 0.000) 16.155 26.254 ( 16.151 -0.361 0.000) 16.155 ======================= Grid point 48 (19/105) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( 18.200 18.200 0.000) 25.739 4.452 ( 15.417 15.417 0.000) 21.804 4.759 ( -9.865 -9.865 0.000) 13.952 4.977 ( -5.878 -5.878 0.000) 8.313 5.672 ( 6.267 6.267 0.000) 8.863 5.902 ( 2.189 2.189 0.000) 3.095 6.099 ( 1.911 1.911 0.000) 2.702 6.627 ( -15.576 -15.576 0.000) 22.028 6.931 ( 16.654 16.654 0.000) 23.553 7.372 ( -0.858 -0.858 0.000) 1.213 7.667 ( 1.186 1.186 0.000) 1.677 7.935 ( 1.107 1.107 0.000) 1.565 8.038 ( -10.481 -10.481 0.000) 14.822 8.600 ( 8.220 8.220 0.000) 11.626 8.655 ( -13.048 -13.048 0.000) 18.452 9.086 ( -8.851 -8.851 0.000) 12.517 9.488 ( 3.230 3.230 0.000) 4.569 10.032 ( -16.707 -16.707 0.000) 23.628 10.599 ( 1.123 1.123 0.000) 1.588 10.681 ( -2.257 -2.257 0.000) 3.192 11.130 ( 6.022 6.022 0.000) 8.516 11.617 ( -9.115 -9.115 0.000) 12.891 11.747 ( -4.030 -4.030 0.000) 5.700 11.992 ( -7.332 -7.332 0.000) 10.369 14.255 ( 11.175 11.175 0.000) 15.803 14.584 ( -0.395 -0.395 0.000) 0.558 15.018 ( 0.943 0.943 0.000) 1.333 15.328 ( -8.024 -8.024 0.000) 11.347 15.349 ( 3.980 3.980 0.000) 5.629 15.423 ( 0.361 0.361 0.000) 0.510 15.807 ( 1.616 1.616 0.000) 2.285 15.859 ( 0.345 0.345 0.000) 0.488 17.013 ( 13.940 13.940 0.000) 19.714 17.429 ( -1.627 -1.627 0.000) 2.301 17.450 ( 14.058 14.058 0.000) 19.881 18.108 ( -12.626 -12.626 0.000) 17.856 19.776 ( 7.446 7.446 0.000) 10.530 19.969 ( -0.554 -0.554 0.000) 0.784 20.906 ( 5.036 5.036 0.000) 7.123 20.966 ( 2.763 2.763 0.000) 3.908 23.288 ( 2.448 2.448 0.000) 3.462 23.384 ( -0.427 -0.427 0.000) 0.604 23.553 ( -3.368 -3.368 0.000) 4.763 23.596 ( -3.727 -3.727 0.000) 5.271 25.134 ( 7.675 7.675 0.000) 10.854 25.246 ( 3.203 3.203 0.000) 4.530 26.068 ( 7.402 7.402 0.000) 10.468 26.413 ( -8.618 -8.618 0.000) 12.187 ======================= Grid point 49 (20/105) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.435 ( -15.591 10.066 0.000) 18.558 4.435 ( 15.591 10.066 0.000) 18.558 4.785 ( -12.178 0.990 0.000) 12.219 4.785 ( 12.178 0.990 0.000) 12.219 5.820 ( -7.935 7.785 0.000) 11.116 5.820 ( 7.935 7.785 0.000) 11.116 6.299 ( -15.631 -9.505 0.000) 18.294 6.299 ( 15.631 -9.505 0.000) 18.294 7.245 ( -12.387 -3.076 0.000) 12.763 7.245 ( 12.387 -3.076 0.000) 12.763 7.781 ( -8.996 6.870 0.000) 11.319 7.781 ( 8.996 6.870 0.000) 11.319 8.208 ( -20.118 1.027 0.000) 20.145 8.208 ( 20.118 1.027 0.000) 20.145 8.900 ( -11.426 -14.063 0.000) 18.120 8.900 ( 11.426 -14.063 0.000) 18.120 9.681 ( -16.488 -5.279 0.000) 17.312 9.681 ( 16.488 -5.279 0.000) 17.312 10.635 ( -2.419 1.933 0.000) 3.097 10.635 ( 2.419 1.933 0.000) 3.097 11.335 ( -14.071 4.550 0.000) 14.788 11.335 ( 14.071 4.550 0.000) 14.788 11.844 ( -7.680 -12.843 0.000) 14.964 11.844 ( 7.680 -12.843 0.000) 14.964 14.464 ( -9.840 9.394 0.000) 13.604 14.464 ( 9.840 9.394 0.000) 13.604 15.141 ( -9.631 -8.115 0.000) 12.594 15.141 ( 9.631 -8.115 0.000) 12.594 15.410 ( -1.916 1.485 0.000) 2.424 15.410 ( 1.916 1.485 0.000) 2.424 15.845 ( -1.724 1.530 0.000) 2.305 15.845 ( 1.724 1.530 0.000) 2.305 17.252 ( -10.833 13.163 0.000) 17.047 17.252 ( 10.833 13.163 0.000) 17.047 17.817 ( -17.369 -4.588 0.000) 17.964 17.817 ( 17.369 -4.588 0.000) 17.964 19.909 ( -5.491 1.368 0.000) 5.659 19.909 ( 5.491 1.368 0.000) 5.659 20.971 ( -1.764 4.733 0.000) 5.051 20.971 ( 1.764 4.733 0.000) 5.051 23.345 ( -3.123 2.024 0.000) 3.722 23.345 ( 3.123 2.024 0.000) 3.722 23.540 ( -1.686 -4.749 0.000) 5.039 23.540 ( 1.686 -4.749 0.000) 5.039 25.245 ( -3.284 6.561 0.000) 7.337 25.245 ( 3.284 6.561 0.000) 7.337 26.234 ( -9.425 -1.423 0.000) 9.532 26.234 ( 9.425 -1.423 0.000) 9.532 ======================= Grid point 65 (21/105) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.557 ( -0.000 -0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.137 ( -0.000 -0.000 0.000) 0.000 6.137 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 8.287 ( 0.000 0.000 0.000) 0.000 8.287 ( 0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 10.653 ( 0.000 0.000 0.000) 0.000 10.653 ( 0.000 0.000 0.000) 0.000 11.430 ( -0.000 -0.000 0.000) 0.000 11.430 ( -0.000 -0.000 0.000) 0.000 11.674 ( 0.000 0.000 0.000) 0.000 11.674 ( 0.000 0.000 0.000) 0.000 14.575 ( 0.000 0.000 0.000) 0.000 14.575 ( 0.000 0.000 0.000) 0.000 15.037 ( 0.000 0.000 0.000) 0.000 15.037 ( 0.000 0.000 0.000) 0.000 15.429 ( 0.000 0.000 0.000) 0.000 15.429 ( 0.000 0.000 0.000) 0.000 15.860 ( 0.000 0.000 0.000) 0.000 15.860 ( 0.000 0.000 0.000) 0.000 17.396 ( 0.000 0.000 0.000) 0.000 17.396 ( 0.000 0.000 0.000) 0.000 17.759 ( 0.000 0.000 0.000) 0.000 17.759 ( 0.000 0.000 0.000) 0.000 19.924 ( 0.000 0.000 0.000) 0.000 19.924 ( 0.000 0.000 0.000) 0.000 21.014 ( 0.000 0.000 0.000) 0.000 21.014 ( 0.000 0.000 0.000) 0.000 23.375 ( 0.000 0.000 0.000) 0.000 23.375 ( 0.000 0.000 0.000) 0.000 23.484 ( 0.000 0.000 0.000) 0.000 23.484 ( 0.000 0.000 0.000) 0.000 25.314 ( 0.000 0.000 0.000) 0.000 25.314 ( 0.000 0.000 0.000) 0.000 26.216 ( 0.000 0.000 0.000) 0.000 26.216 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 121 (22/105) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 0.000 46.497) 46.497 0.967 ( -0.000 -0.000 48.580) 48.580 1.624 ( 0.000 0.000 79.849) 79.849 3.721 ( 0.000 0.000 14.548) 14.548 5.508 ( -0.000 -0.000 11.725) 11.725 5.873 ( 0.000 0.000 31.064) 31.064 6.519 ( 0.000 0.000 -26.883) 26.883 6.999 ( 0.000 0.000 -45.855) 45.855 7.800 ( 0.000 0.000 5.332) 5.332 8.467 ( -0.000 -0.000 18.709) 18.709 8.653 ( 0.000 0.000 -17.607) 17.607 8.774 ( -0.000 -0.000 36.685) 36.685 8.907 ( 0.000 0.000 -28.770) 28.770 9.016 ( 0.000 0.000 6.839) 6.839 9.614 ( 0.000 0.000 0.372) 0.372 9.844 ( 0.000 0.000 7.689) 7.689 9.975 ( 0.000 0.000 7.844) 7.844 10.370 ( 0.000 0.000 -7.077) 7.077 10.739 ( 0.000 0.000 0.506) 0.506 10.982 ( 0.000 0.000 25.183) 25.183 11.047 ( -0.000 -0.000 3.932) 3.932 12.513 ( 0.000 0.000 -31.366) 31.366 12.707 ( 0.000 0.000 -0.240) 0.240 13.727 ( 0.000 0.000 -14.216) 14.216 13.762 ( 0.000 0.000 18.267) 18.267 13.996 ( 0.000 0.000 -7.235) 7.235 14.073 ( 0.000 0.000 6.143) 6.143 14.356 ( -0.000 -0.000 -26.171) 26.171 14.829 ( 0.000 0.000 -19.929) 19.929 14.867 ( -0.000 -0.000 -13.038) 13.038 15.219 ( 0.000 0.000 5.725) 5.725 16.121 ( -0.000 -0.000 2.680) 2.680 16.230 ( -0.000 -0.000 9.333) 9.333 16.308 ( 0.000 0.000 18.950) 18.950 16.457 ( 0.000 0.000 11.864) 11.864 18.150 ( 0.000 0.000 -3.896) 3.896 19.729 ( -0.000 -0.000 -2.610) 2.610 19.794 ( 0.000 0.000 -12.159) 12.159 20.240 ( 0.000 0.000 8.129) 8.129 20.275 ( 0.000 0.000 0.793) 0.793 23.458 ( -0.000 -0.000 -1.527) 1.527 23.763 ( 0.000 0.000 -7.652) 7.652 24.021 ( 0.000 0.000 4.188) 4.188 24.081 ( 0.000 0.000 3.589) 3.589 24.131 ( 0.000 0.000 -0.002) 0.002 24.730 ( 0.000 0.000 -7.045) 7.045 25.207 ( -0.000 -0.000 17.581) 17.581 27.208 ( 0.000 0.000 -5.307) 5.307 ======================= Grid point 122 (23/105) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 27.149 0.000 30.715) 40.994 1.342 ( 34.889 0.000 32.730) 47.838 2.227 ( 49.115 0.000 61.212) 78.480 3.872 ( 15.700 0.000 12.305) 19.948 5.492 ( -2.380 0.000 9.124) 9.429 5.838 ( -5.535 0.000 21.576) 22.275 6.541 ( 2.327 0.000 -16.015) 16.183 6.906 ( -6.588 0.000 -38.970) 39.523 7.764 ( -3.907 0.000 5.690) 6.903 8.326 ( -23.683 0.000 23.255) 33.191 8.452 ( -5.048 0.000 14.041) 14.921 8.662 ( -5.150 0.000 -22.410) 22.994 9.036 ( 0.050 0.000 -8.884) 8.884 9.145 ( 7.842 0.000 7.265) 10.690 9.553 ( -4.446 0.000 -1.913) 4.840 9.827 ( -6.317 0.000 4.557) 7.789 10.009 ( -0.083 0.000 7.208) 7.208 10.327 ( -10.361 0.000 -12.845) 16.503 10.901 ( 1.035 0.000 16.722) 16.754 11.138 ( 11.884 0.000 1.429) 11.970 11.239 ( 25.761 0.000 -12.713) 28.727 12.401 ( -12.374 0.000 -31.137) 33.506 12.817 ( 9.222 0.000 -1.566) 9.354 13.408 ( -23.684 0.000 -2.688) 23.836 13.798 ( -3.604 0.000 11.255) 11.818 14.095 ( 2.477 0.000 -4.704) 5.317 14.227 ( 15.733 0.000 -14.539) 21.422 14.368 ( -0.698 0.000 -27.294) 27.303 14.888 ( 5.375 0.000 -16.468) 17.323 15.012 ( 13.799 0.000 -14.160) 19.771 15.155 ( -3.202 0.000 9.936) 10.439 15.881 ( -6.565 0.000 19.372) 20.454 16.141 ( 1.859 0.000 4.554) 4.919 16.384 ( -0.517 0.000 13.875) 13.885 17.064 ( 31.607 0.000 -13.335) 34.305 18.272 ( 12.581 0.000 -3.797) 13.142 19.652 ( -8.487 0.000 -2.061) 8.734 19.816 ( -0.743 0.000 -7.030) 7.069 19.867 ( -14.698 0.000 19.757) 24.625 20.379 ( 3.499 0.000 9.306) 9.942 23.453 ( -0.537 0.000 -1.338) 1.441 23.513 ( -15.286 0.000 9.797) 18.156 23.904 ( -3.186 0.000 3.018) 4.389 24.114 ( -1.614 0.000 -0.015) 1.615 24.166 ( 7.429 0.000 3.111) 8.054 24.768 ( 4.021 0.000 -6.245) 7.428 25.200 ( -0.270 0.000 16.481) 16.483 27.308 ( 1.487 0.000 -12.290) 12.380 ======================= Grid point 123 (24/105) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 41.099 0.000 10.992) 42.543 2.105 ( 41.549 0.000 20.166) 46.184 3.269 ( 55.475 0.000 43.315) 70.382 4.268 ( 22.676 0.000 8.580) 24.245 5.381 ( -9.707 0.000 3.441) 10.299 5.656 ( -11.596 0.000 3.006) 11.980 6.604 ( 3.830 0.000 10.576) 11.248 6.823 ( -1.878 0.000 -26.867) 26.933 7.588 ( -16.980 0.000 14.439) 22.290 7.860 ( -18.228 0.000 8.919) 20.293 8.303 ( -10.955 0.000 -10.374) 15.088 8.579 ( -2.496 0.000 -4.082) 4.785 8.964 ( -6.487 0.000 -3.023) 7.157 9.244 ( 1.804 0.000 10.929) 11.077 9.433 ( -7.291 0.000 -0.039) 7.291 9.727 ( -3.381 0.000 3.632) 4.962 9.928 ( -8.793 0.000 8.163) 11.998 10.111 ( -8.223 0.000 -13.206) 15.557 10.817 ( -9.313 0.000 17.361) 19.701 11.297 ( 4.784 0.000 3.506) 5.932 11.709 ( 19.324 0.000 -15.882) 25.013 12.058 ( -20.166 0.000 -24.005) 31.351 12.900 ( -19.505 0.000 -0.016) 19.505 13.077 ( 10.607 0.000 -6.036) 12.204 13.596 ( -16.179 0.000 15.175) 22.182 14.129 ( -0.518 0.000 -11.177) 11.189 14.310 ( -0.439 0.000 -21.253) 21.258 14.473 ( 7.431 0.000 -22.043) 23.262 15.090 ( 11.536 0.000 -12.916) 17.318 15.186 ( 7.990 0.000 7.036) 10.647 15.287 ( 13.867 0.000 -12.017) 18.350 15.856 ( 1.071 0.000 11.268) 11.319 16.198 ( 4.011 0.000 8.534) 9.429 16.369 ( -0.876 0.000 13.285) 13.314 17.480 ( 14.018 0.000 -6.493) 15.449 18.615 ( 21.554 0.000 -5.808) 22.323 19.508 ( -2.768 0.000 4.645) 5.407 19.646 ( -9.601 0.000 19.452) 21.693 19.838 ( -0.656 0.000 -13.784) 13.799 20.454 ( 4.002 0.000 10.165) 10.925 23.337 ( -4.340 0.000 5.958) 7.371 23.438 ( -1.071 0.000 -0.859) 1.372 23.871 ( -0.771 0.000 0.686) 1.032 24.070 ( -2.752 0.000 -0.157) 2.756 24.344 ( 10.246 0.000 2.505) 10.548 24.886 ( 7.807 0.000 -2.823) 8.301 25.207 ( 1.629 0.000 12.145) 12.254 27.214 ( -9.970 0.000 -8.792) 13.293 ======================= Grid point 124 (25/105) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 39.120 0.000 5.411) 39.492 2.900 ( 39.720 0.000 13.481) 41.946 4.243 ( 39.237 0.000 33.244) 51.426 4.612 ( 10.015 0.000 2.508) 10.324 5.133 ( -13.598 0.000 -4.011) 14.177 5.527 ( 1.451 0.000 5.296) 5.492 6.556 ( -13.353 0.000 21.411) 25.234 6.841 ( 7.097 0.000 -11.902) 13.858 7.341 ( -0.590 0.000 14.913) 14.925 7.577 ( -14.711 0.000 -1.034) 14.748 8.110 ( -7.318 0.000 -20.519) 21.785 8.543 ( -1.903 0.000 5.565) 5.881 8.799 ( -9.736 0.000 1.921) 9.924 9.222 ( -3.788 0.000 8.533) 9.336 9.323 ( -3.238 0.000 -0.374) 3.259 9.628 ( -10.757 0.000 1.906) 10.924 9.724 ( -7.830 0.000 -3.000) 8.385 9.989 ( -9.625 0.000 -3.221) 10.150 10.554 ( -14.219 0.000 14.321) 20.181 11.225 ( -13.313 0.000 0.160) 13.314 11.767 ( -2.515 0.000 -11.622) 11.891 12.053 ( 13.564 0.000 -7.345) 15.425 12.528 ( -16.076 0.000 -1.958) 16.194 13.224 ( -19.615 0.000 11.171) 22.573 13.382 ( 16.224 0.000 -7.103) 17.710 14.091 ( -2.374 0.000 -8.508) 8.834 14.362 ( 4.180 0.000 -23.969) 24.331 14.547 ( 1.129 0.000 -21.563) 21.593 15.231 ( 5.981 0.000 4.751) 7.638 15.388 ( 7.427 0.000 -4.220) 8.542 15.566 ( 14.325 0.000 -15.487) 21.096 15.880 ( 1.279 0.000 3.594) 3.815 16.283 ( 4.223 0.000 11.763) 12.498 16.356 ( -0.314 0.000 13.758) 13.762 17.726 ( 13.819 0.000 3.767) 14.324 19.037 ( 20.037 0.000 -7.323) 21.333 19.378 ( -15.441 0.000 4.837) 16.181 19.585 ( 6.837 0.000 10.722) 12.716 19.810 ( -1.402 0.000 -10.870) 10.960 20.502 ( -0.016 0.000 8.467) 8.467 23.299 ( -0.226 0.000 2.770) 2.780 23.413 ( -1.553 0.000 -0.390) 1.601 23.866 ( 0.185 0.000 0.022) 0.186 24.012 ( -3.094 0.000 -0.299) 3.108 24.538 ( 9.506 0.000 2.827) 9.918 25.000 ( 1.712 0.000 7.135) 7.337 25.337 ( 13.826 0.000 0.866) 13.853 26.952 ( -16.646 0.000 -6.389) 17.830 ======================= Grid point 125 (26/105) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 31.301 0.000 3.781) 31.528 3.601 ( 30.609 0.000 6.848) 31.366 4.454 ( -9.172 0.000 27.651) 29.133 4.650 ( -9.413 0.000 -6.599) 11.496 5.125 ( 11.808 0.000 5.241) 12.919 5.548 ( -7.254 0.000 19.358) 20.673 6.386 ( 5.428 0.000 2.912) 6.160 7.099 ( -3.175 0.000 4.821) 5.773 7.252 ( 10.775 0.000 -5.071) 11.908 7.604 ( 18.824 0.000 11.250) 21.930 7.991 ( -7.405 0.000 -13.698) 15.571 8.503 ( -1.309 0.000 9.123) 9.216 8.632 ( -6.993 0.000 1.973) 7.266 8.993 ( -27.785 0.000 -0.031) 27.785 9.301 ( 0.290 0.000 -1.540) 1.567 9.365 ( -9.726 0.000 -3.788) 10.438 9.610 ( -5.526 0.000 -1.248) 5.666 9.676 ( -14.704 0.000 4.347) 15.333 10.469 ( 4.555 0.000 6.563) 7.989 10.915 ( -16.121 0.000 1.996) 16.244 11.844 ( 8.085 0.000 -2.227) 8.386 12.237 ( -5.936 0.000 2.523) 6.450 12.328 ( 6.253 0.000 -4.965) 7.984 12.854 ( -17.601 0.000 5.439) 18.422 13.687 ( 14.157 0.000 -8.083) 16.302 14.033 ( -4.153 0.000 -7.224) 8.333 14.440 ( 3.688 0.000 -24.917) 25.189 14.541 ( -1.348 0.000 -23.365) 23.404 15.343 ( 5.330 0.000 7.786) 9.435 15.458 ( 0.522 0.000 1.855) 1.927 15.783 ( 7.834 0.000 -16.027) 17.840 15.900 ( 0.431 0.000 -5.355) 5.372 16.337 ( 1.328 0.000 10.954) 11.034 16.361 ( 0.560 0.000 15.417) 15.427 18.066 ( 21.441 0.000 8.858) 23.198 18.990 ( -22.108 0.000 10.815) 24.611 19.369 ( 12.202 0.000 -12.291) 17.319 19.663 ( -2.667 0.000 -10.987) 11.306 19.910 ( 14.028 0.000 6.549) 15.482 20.430 ( -7.694 0.000 6.917) 10.346 23.313 ( 1.364 0.000 1.422) 1.971 23.380 ( -1.800 0.000 0.101) 1.803 23.878 ( 1.065 0.000 -0.293) 1.104 23.954 ( -2.783 0.000 -0.416) 2.814 24.710 ( 8.282 0.000 4.476) 9.414 24.966 ( -4.190 0.000 8.916) 9.851 25.703 ( 22.162 0.000 -3.194) 22.391 26.584 ( -21.073 0.000 -5.037) 21.666 ======================= Grid point 126 (27/105) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( -14.174 0.000 2.431) 14.381 3.818 ( 14.174 0.000 2.431) 14.381 4.412 ( -12.214 0.000 12.712) 17.628 4.412 ( 12.214 0.000 12.712) 17.628 5.323 ( -11.009 0.000 12.927) 16.980 5.323 ( 11.009 0.000 12.927) 16.980 6.709 ( -22.386 0.000 -0.186) 22.387 6.709 ( 22.386 0.000 -0.186) 22.387 7.735 ( -19.320 0.000 0.514) 19.326 7.735 ( 19.320 0.000 0.514) 19.326 8.203 ( -41.922 0.000 2.218) 41.981 8.203 ( 41.922 0.000 2.218) 41.981 8.539 ( -4.855 0.000 3.774) 6.149 8.539 ( 4.855 0.000 3.774) 6.149 9.303 ( -0.372 0.000 -3.325) 3.345 9.303 ( 0.372 0.000 -3.325) 3.345 9.544 ( -1.085 0.000 0.851) 1.379 9.544 ( 1.085 0.000 0.851) 1.379 10.639 ( -11.984 0.000 3.662) 12.531 10.639 ( 11.984 0.000 3.662) 12.531 12.035 ( -10.903 0.000 2.792) 11.255 12.035 ( 10.903 0.000 2.792) 11.255 12.554 ( -13.555 0.000 -0.634) 13.570 12.554 ( 13.555 0.000 -0.634) 13.570 13.911 ( -8.828 0.000 -7.307) 11.460 13.911 ( 8.828 0.000 -7.307) 11.460 14.502 ( -2.649 0.000 -24.953) 25.093 14.502 ( 2.649 0.000 -24.953) 25.093 15.428 ( -3.242 0.000 6.712) 7.454 15.428 ( 3.242 0.000 6.712) 7.454 15.881 ( -2.699 0.000 -12.246) 12.540 15.881 ( 2.699 0.000 -12.246) 12.540 16.357 ( -0.866 0.000 13.159) 13.187 16.357 ( 0.866 0.000 13.159) 13.187 18.526 ( -24.913 0.000 10.221) 26.929 18.526 ( 24.913 0.000 10.221) 26.929 19.556 ( -7.550 0.000 -12.083) 14.248 19.556 ( 7.550 0.000 -12.083) 14.248 20.209 ( -14.562 0.000 6.674) 16.019 20.209 ( 14.562 0.000 6.674) 16.019 23.345 ( -1.801 0.000 0.667) 1.921 23.345 ( 1.801 0.000 0.667) 1.921 23.908 ( -2.012 0.000 -0.430) 2.057 23.908 ( 2.012 0.000 -0.430) 2.057 24.857 ( -6.792 0.000 6.838) 9.638 24.857 ( 6.792 0.000 6.838) 9.638 26.150 ( -23.300 0.000 -4.130) 23.663 26.150 ( 23.300 0.000 -4.130) 23.663 ======================= Grid point 133 (28/105) ======================= q-point: ( 0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 22.434 22.434 28.034) 42.337 1.522 ( 26.043 26.043 23.917) 43.915 2.702 ( 41.292 41.292 49.762) 76.722 3.985 ( 13.127 13.127 11.624) 21.903 5.483 ( -1.668 -1.668 5.726) 6.193 5.818 ( -3.074 -3.074 19.149) 19.636 6.525 ( -1.494 -1.494 -13.117) 13.287 6.844 ( -4.432 -4.432 -32.621) 33.218 7.702 ( -6.682 -6.682 7.057) 11.794 8.136 ( -17.266 -17.266 16.312) 29.365 8.421 ( -3.694 -3.694 14.979) 15.864 8.574 ( -6.919 -6.919 -15.254) 18.123 9.021 ( -2.962 -2.962 -5.486) 6.902 9.199 ( 4.431 4.431 4.421) 7.669 9.509 ( -4.471 -4.471 -1.937) 6.614 9.692 ( -7.441 -7.441 9.970) 14.496 10.032 ( -5.573 -5.573 -9.472) 12.322 10.377 ( -0.045 -0.045 1.747) 1.748 10.888 ( 1.262 1.262 10.032) 10.190 11.153 ( 1.451 1.451 4.832) 5.250 11.395 ( 15.434 15.434 -12.075) 24.945 12.280 ( -12.424 -12.424 -29.902) 34.681 12.898 ( 7.411 7.411 -0.650) 10.501 13.257 ( -16.752 -16.752 -4.432) 24.102 13.674 ( -10.225 -10.225 11.081) 18.218 14.154 ( 4.423 4.423 -8.990) 10.952 14.299 ( 7.755 7.755 -12.293) 16.474 14.444 ( 3.881 3.881 -28.055) 28.586 14.989 ( 5.538 5.538 -9.859) 12.591 15.018 ( 4.892 4.892 -14.806) 16.342 15.166 ( 3.553 3.553 6.837) 8.485 15.872 ( 0.555 0.555 15.958) 15.977 16.131 ( 0.511 0.511 5.065) 5.116 16.436 ( 2.649 2.649 13.799) 14.298 17.266 ( 15.141 15.141 -14.601) 25.916 18.376 ( 10.842 10.842 -2.868) 15.598 19.520 ( -8.642 -8.642 11.428) 16.732 19.688 ( -7.657 -7.657 -5.598) 12.190 19.993 ( 5.708 5.708 5.198) 9.601 20.411 ( 3.964 3.964 11.572) 12.859 23.409 ( -6.941 -6.941 8.776) 13.168 23.449 ( -0.596 -0.596 -1.027) 1.329 23.897 ( -1.356 -1.356 1.447) 2.402 24.068 ( -2.703 -2.703 0.554) 3.862 24.234 ( 6.450 6.450 2.698) 9.512 24.808 ( 4.168 4.168 -5.476) 8.046 25.201 ( 0.243 0.243 15.284) 15.287 27.310 ( -1.935 -1.935 -11.439) 11.761 ======================= Grid point 134 (29/105) ======================= q-point: ( 0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 36.583 13.693 14.082) 41.523 2.188 ( 38.326 13.824 17.612) 44.387 3.609 ( 48.956 30.732 36.014) 68.104 4.353 ( 22.167 9.794 8.294) 25.614 5.392 ( -8.349 0.720 -0.234) 8.383 5.692 ( -9.112 2.804 6.040) 11.286 6.500 ( -0.673 -9.332 0.414) 9.365 6.811 ( 1.195 -1.524 -15.096) 15.219 7.446 ( -19.757 -13.829 12.541) 27.182 7.819 ( -12.699 -4.376 5.187) 14.399 8.242 ( -12.655 -3.977 -6.022) 14.568 8.501 ( -1.279 -8.860 4.983) 10.245 8.909 ( -8.076 -5.424 -1.453) 9.836 9.261 ( -0.062 1.319 3.564) 3.800 9.397 ( -5.670 -3.834 1.472) 7.001 9.570 ( -5.790 -9.863 7.816) 13.852 9.870 ( -9.475 -6.281 -10.746) 15.643 10.283 ( -5.803 9.502 6.880) 13.088 10.842 ( -8.235 3.859 11.457) 14.628 11.243 ( 5.647 -5.933 1.025) 8.255 11.725 ( 16.283 3.660 -10.507) 19.721 11.948 ( -19.838 -10.878 -23.065) 32.309 12.809 ( -22.610 -10.086 -1.202) 24.787 13.114 ( 10.435 3.135 -4.051) 11.624 13.430 ( -14.308 -14.226 11.348) 23.149 14.210 ( -0.180 8.784 -12.168) 15.008 14.369 ( 1.953 6.163 -18.689) 19.776 14.568 ( 7.059 4.809 -22.024) 23.622 15.121 ( 9.143 3.572 -10.795) 14.591 15.178 ( 10.573 0.360 2.037) 10.774 15.318 ( 10.350 3.780 -7.300) 13.217 15.895 ( 1.091 3.137 8.219) 8.865 16.172 ( 3.539 -0.536 9.925) 10.551 16.472 ( 1.450 7.759 12.921) 15.141 17.500 ( 8.872 1.748 -6.025) 10.866 18.679 ( 19.538 6.421 -3.870) 20.927 19.408 ( -5.614 -7.709 4.224) 10.430 19.540 ( -4.714 -4.783 2.346) 7.114 20.066 ( 1.978 15.018 0.207) 15.149 20.517 ( 5.792 6.136 11.058) 13.909 23.311 ( -2.985 -2.247 4.859) 6.129 23.435 ( -1.023 -0.382 -0.907) 1.420 23.865 ( -1.482 -0.793 0.725) 1.830 24.017 ( -2.753 -4.649 0.217) 5.407 24.396 ( 9.505 5.145 2.290) 11.047 24.924 ( 7.219 3.794 -1.855) 8.363 25.223 ( 2.784 1.752 10.630) 11.127 27.195 ( -9.882 -2.599 -8.590) 13.349 ======================= Grid point 135 (30/105) ======================= q-point: ( 0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 37.708 8.999 6.629) 39.329 2.937 ( 38.141 7.671 13.907) 41.316 4.441 ( 28.785 17.162 24.972) 41.794 4.707 ( 13.054 10.917 3.658) 17.406 5.179 ( -10.833 4.636 -2.231) 11.992 5.589 ( 1.085 5.660 4.004) 7.018 6.438 ( -8.214 -10.509 11.334) 17.504 6.837 ( 2.420 -3.540 -1.383) 4.505 7.183 ( -1.866 -11.034 9.560) 14.719 7.597 ( -10.213 -0.685 0.871) 10.273 8.048 ( -6.360 -4.604 -14.920) 16.859 8.469 ( -2.460 -7.687 9.589) 12.534 8.724 ( -10.446 -7.578 2.697) 13.184 9.163 ( -9.378 -7.681 1.062) 12.169 9.328 ( -2.654 -0.066 1.171) 2.902 9.434 ( -7.422 -9.060 3.170) 12.134 9.713 ( -6.309 -3.576 0.106) 7.253 10.197 ( -6.112 14.428 0.055) 15.669 10.574 ( -16.468 2.269 9.851) 19.323 11.227 ( -10.651 -1.312 0.113) 10.732 11.636 ( -5.434 -11.873 -10.761) 16.920 12.018 ( 12.216 -2.562 -6.965) 14.293 12.425 ( -15.730 -9.668 -1.633) 18.536 13.040 ( -16.741 -16.999 7.841) 25.114 13.440 ( 14.017 5.237 -4.891) 15.743 14.160 ( -3.815 7.480 -8.925) 12.254 14.447 ( 5.072 7.642 -23.161) 24.911 14.651 ( 1.888 7.978 -21.103) 22.640 15.265 ( 6.679 3.513 3.227) 8.208 15.416 ( 9.087 1.898 -5.123) 10.603 15.527 ( 11.952 -2.232 -11.472) 16.716 15.907 ( 0.262 1.878 0.823) 2.067 16.251 ( 4.193 0.275 13.930) 14.550 16.496 ( 0.806 10.691 11.316) 15.589 17.670 ( 10.697 -4.770 3.543) 12.236 19.052 ( 11.596 -4.208 -5.807) 13.635 19.214 ( -7.149 -5.306 1.448) 9.019 19.589 ( 6.899 1.822 1.840) 7.369 20.081 ( 0.230 19.505 -0.500) 19.513 20.591 ( 0.937 8.465 9.488) 12.750 23.285 ( 0.009 -1.338 2.471) 2.810 23.409 ( -1.574 -0.299 -0.481) 1.673 23.846 ( -0.464 -1.957 0.303) 2.034 23.962 ( -2.893 -4.809 0.053) 5.613 24.579 ( 9.144 4.140 2.648) 10.381 25.022 ( 1.339 2.227 6.923) 7.394 25.376 ( 14.249 3.862 0.263) 14.766 26.941 ( -16.043 -1.501 -6.518) 17.381 ======================= Grid point 136 (31/105) ======================= q-point: ( 0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 30.430 8.098 4.405) 31.795 3.626 ( 31.249 4.425 8.549) 32.698 4.510 ( -10.597 5.308 20.930) 24.053 4.726 ( -11.898 8.050 -5.717) 15.461 5.246 ( 10.629 11.321 5.649) 16.525 5.564 ( -8.418 0.979 15.256) 17.451 6.362 ( 7.447 -2.545 3.057) 8.443 6.973 ( -3.504 -10.026 7.601) 13.060 7.230 ( 15.663 -2.475 -2.286) 16.022 7.610 ( 14.028 -2.361 4.263) 14.850 7.951 ( -5.633 -1.996 -8.931) 10.746 8.419 ( -1.593 -7.968 10.676) 13.416 8.540 ( -8.288 -9.788 1.758) 12.945 8.848 ( -24.109 -11.793 1.044) 26.859 9.281 ( -0.817 -2.711 -3.485) 4.490 9.361 ( -1.047 1.194 2.913) 3.317 9.603 ( -5.170 -1.779 4.397) 7.016 9.852 ( -23.500 15.673 -3.834) 28.506 10.479 ( 5.462 0.303 6.027) 8.139 10.934 ( -15.940 0.807 2.569) 16.166 11.689 ( 7.623 -14.140 -2.332) 16.232 12.095 ( -8.889 -12.244 1.848) 15.242 12.302 ( 7.006 -3.593 -4.092) 8.874 12.729 ( -14.348 -12.274 2.734) 19.079 13.715 ( 13.159 3.262 -6.346) 14.969 14.072 ( -5.602 4.473 -7.269) 10.210 14.542 ( 4.565 9.294 -24.325) 26.437 14.658 ( -0.986 9.824 -22.390) 24.470 15.385 ( 5.555 4.020 6.687) 9.577 15.499 ( 0.728 3.634 0.254) 3.715 15.741 ( 8.875 -4.049 -13.183) 16.400 15.905 ( -0.714 0.007 -6.274) 6.314 16.330 ( 4.175 2.593 13.735) 14.588 16.485 ( -2.288 9.923 10.260) 14.456 17.959 ( 19.079 -9.320 8.108) 22.729 18.804 ( -20.579 -15.276 5.457) 26.204 19.439 ( 13.693 6.575 -9.480) 17.905 19.704 ( 2.243 3.355 -6.738) 7.854 20.134 ( 7.243 19.083 5.369) 21.106 20.535 ( -6.756 10.214 8.474) 14.892 23.302 ( 1.512 -1.055 1.354) 2.287 23.375 ( -1.932 -0.434 0.029) 1.980 23.847 ( 0.589 -3.017 0.011) 3.074 23.909 ( -2.484 -4.439 -0.064) 5.088 24.746 ( 8.088 3.713 4.155) 9.822 24.991 ( -3.802 2.611 8.122) 9.341 25.735 ( 21.450 3.104 -3.268) 21.919 26.586 ( -20.333 -0.048 -5.206) 20.989 ======================= Grid point 137 (32/105) ======================= q-point: (-0.50 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.888 ( -12.248 6.827 3.456) 14.442 3.888 ( 12.248 6.827 3.456) 14.442 4.450 ( -13.089 4.320 11.959) 18.248 4.450 ( 13.089 4.320 11.959) 18.248 5.381 ( -7.422 5.093 8.230) 12.196 5.381 ( 7.422 5.093 8.230) 12.196 6.670 ( -19.734 -3.009 3.651) 20.294 6.670 ( 19.734 -3.009 3.651) 20.294 7.661 ( -17.396 -7.329 -3.552) 19.209 7.661 ( 17.396 -7.329 -3.552) 19.209 8.168 ( -31.864 -5.170 5.229) 32.701 8.168 ( 31.864 -5.170 5.229) 32.701 8.474 ( -6.458 -4.995 5.035) 9.592 8.474 ( 6.458 -4.995 5.035) 9.592 9.318 ( -3.850 0.894 -1.982) 4.422 9.318 ( 3.850 0.894 -1.982) 4.422 9.570 ( -4.526 3.338 0.340) 5.634 9.570 ( 4.526 3.338 0.340) 5.634 10.659 ( -12.135 1.146 3.808) 12.770 10.659 ( 12.135 1.146 3.808) 12.770 11.880 ( -11.373 -14.159 2.747) 18.368 11.880 ( 11.373 -14.159 2.747) 18.368 12.488 ( -10.876 -6.809 -2.018) 12.989 12.488 ( 10.876 -6.809 -2.018) 12.989 13.931 ( -9.130 2.774 -6.556) 11.577 13.931 ( 9.130 2.774 -6.556) 11.577 14.617 ( -3.090 10.221 -23.974) 26.245 14.617 ( 3.090 10.221 -23.974) 26.245 15.471 ( -3.183 3.894 5.392) 7.373 15.471 ( 3.183 3.894 5.392) 7.373 15.863 ( -3.990 -2.118 -11.102) 11.986 15.863 ( 3.990 -2.118 -11.102) 11.986 16.415 ( -4.403 6.361 11.467) 13.833 16.415 ( 4.403 6.361 11.467) 13.833 18.376 ( -22.871 -12.697 8.027) 27.363 18.376 ( 22.871 -12.697 8.027) 27.363 19.644 ( -7.428 6.808 -10.598) 14.623 19.644 ( 7.428 6.808 -10.598) 14.623 20.344 ( -12.066 13.105 8.198) 19.610 20.344 ( 12.066 13.105 8.198) 19.610 23.337 ( -1.972 -0.743 0.627) 2.199 23.337 ( 1.972 -0.743 0.627) 2.199 23.869 ( -1.636 -3.825 -0.105) 4.162 23.869 ( 1.636 -3.825 -0.105) 4.162 24.889 ( -6.498 3.290 6.258) 9.603 24.889 ( 6.498 3.290 6.258) 9.603 26.167 ( -22.501 1.532 -4.264) 22.953 26.167 ( 22.501 1.532 -4.264) 22.953 ======================= Grid point 145 (33/105) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 25.103 25.103 14.803) 38.464 2.651 ( 30.175 30.175 12.039) 44.339 4.289 ( 35.747 35.747 22.940) 55.515 4.657 ( 20.176 20.176 8.300) 29.715 5.380 ( -2.725 -2.725 -5.792) 6.956 5.713 ( -1.296 -1.296 5.495) 5.792 6.323 ( -7.001 -7.001 -2.302) 10.166 6.759 ( -4.864 -4.864 5.178) 8.609 7.119 ( -15.690 -15.690 1.612) 22.248 7.722 ( -5.504 -5.504 3.498) 8.534 8.139 ( -9.539 -9.539 -5.751) 14.665 8.308 ( -6.110 -6.110 14.474) 16.857 8.761 ( -9.921 -9.921 3.954) 14.577 9.199 ( -8.581 -8.581 -4.204) 12.843 9.344 ( -5.239 -5.239 5.208) 9.057 9.407 ( -3.175 -3.175 1.966) 4.901 9.742 ( -5.945 -5.945 -2.467) 8.761 10.352 ( -0.355 -0.355 12.735) 12.744 10.932 ( -1.153 -1.153 0.325) 1.662 11.120 ( -2.507 -2.507 0.578) 3.592 11.667 ( -16.673 -16.673 -16.965) 29.048 11.862 ( 8.537 8.537 -6.720) 13.817 12.521 ( -18.278 -18.278 -4.418) 26.223 12.971 ( -17.893 -17.893 8.919) 26.830 13.363 ( 8.636 8.636 -1.458) 12.300 14.407 ( 7.740 7.740 -18.024) 21.088 14.469 ( 2.620 2.620 -11.988) 12.548 14.625 ( 4.731 4.731 -22.849) 23.809 15.214 ( 5.925 5.925 -8.026) 11.604 15.266 ( 8.272 8.272 3.828) 12.308 15.427 ( 6.927 6.927 -9.643) 13.747 15.932 ( 0.202 0.202 0.747) 0.800 16.213 ( 4.549 4.549 14.650) 16.000 16.615 ( 6.792 6.792 12.286) 15.595 17.530 ( 1.226 1.226 -3.149) 3.595 18.847 ( 9.155 9.155 -5.453) 14.048 19.240 ( -8.058 -8.058 0.422) 11.404 19.537 ( 4.360 4.360 3.441) 7.061 20.308 ( 9.207 9.207 0.950) 13.056 20.667 ( 8.243 8.243 11.839) 16.615 23.270 ( -1.617 -1.617 3.077) 3.834 23.424 ( -0.742 -0.742 -0.921) 1.396 23.837 ( -1.986 -1.986 0.846) 2.934 23.923 ( -4.564 -4.564 0.542) 6.477 24.528 ( 8.019 8.019 2.082) 11.530 25.017 ( 5.037 5.037 1.909) 7.375 25.290 ( 5.959 5.959 5.322) 9.967 27.092 ( -8.200 -8.200 -7.682) 13.910 ======================= Grid point 146 (34/105) ======================= q-point: ( 0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 32.805 14.080 9.796) 37.018 3.267 ( 32.081 23.634 11.024) 41.344 4.768 ( 6.259 15.454 5.558) 17.576 5.041 ( 15.454 19.342 6.419) 25.576 5.295 ( -1.834 6.608 1.133) 6.951 5.710 ( 0.947 6.409 0.882) 6.538 6.212 ( -5.051 -11.055 4.363) 12.914 6.636 ( 0.261 -14.368 14.145) 20.165 7.026 ( 3.853 -5.558 -1.864) 7.015 7.566 ( -9.800 -1.477 4.725) 10.979 7.989 ( -2.568 -0.869 -7.047) 7.551 8.255 ( -1.963 -12.983 12.047) 17.820 8.531 ( -13.173 -11.580 6.635) 18.752 8.955 ( -16.105 -12.763 0.094) 20.549 9.211 ( -4.607 -8.675 -0.545) 9.838 9.408 ( -0.316 1.416 3.762) 4.032 9.643 ( -4.519 -3.357 5.566) 7.916 10.361 ( 2.525 1.816 7.303) 7.938 10.683 ( -21.549 8.258 -3.133) 23.289 11.121 ( -4.704 -9.303 -1.699) 10.562 11.375 ( -8.929 -14.002 -4.892) 17.313 12.002 ( 3.243 1.157 -5.702) 6.661 12.197 ( -11.756 -12.587 -3.361) 17.548 12.632 ( -15.013 -23.537 5.989) 28.553 13.582 ( 12.561 9.217 -3.425) 15.952 14.353 ( -6.892 11.078 -9.805) 16.321 14.611 ( 7.889 8.240 -21.965) 24.751 14.754 ( 6.196 1.749 -19.996) 21.007 15.344 ( 6.930 3.647 -3.524) 8.587 15.450 ( 9.840 4.055 3.506) 11.205 15.553 ( 5.365 3.894 -10.364) 12.303 15.917 ( -1.323 -1.016 -3.609) 3.976 16.322 ( 6.276 6.695 14.415) 17.088 16.725 ( 3.818 12.409 8.701) 15.629 17.576 ( 5.000 -4.533 2.454) 7.181 18.820 ( -12.645 -14.392 -8.986) 21.160 19.299 ( 13.805 9.032 5.779) 17.480 19.666 ( 7.792 5.956 -1.472) 9.918 20.431 ( 4.256 15.360 1.962) 16.059 20.788 ( 3.255 10.599 11.137) 15.715 23.257 ( 0.301 -1.272 1.976) 2.369 23.404 ( -1.429 -0.259 -0.694) 1.610 23.796 ( -1.943 -3.002 0.697) 3.643 23.849 ( -3.143 -6.308 0.648) 7.077 24.691 ( 8.514 7.098 2.490) 11.361 25.083 ( 1.246 3.854 6.191) 7.399 25.483 ( 14.094 7.182 -1.107) 15.857 26.878 ( -13.766 -5.275 -6.496) 16.110 ======================= Grid point 147 (35/105) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 30.439 8.943 6.195) 32.325 3.849 ( 26.707 17.809 9.568) 33.496 4.643 ( -13.055 7.936 9.458) 17.969 4.948 ( -15.133 13.541 -1.557) 20.367 5.466 ( 4.912 4.685 4.068) 7.913 5.565 ( -10.451 2.501 -1.315) 10.826 6.312 ( 14.774 -0.812 9.196) 17.422 6.810 ( 5.212 -5.882 13.746) 15.835 7.128 ( 10.942 -8.600 -5.074) 14.813 7.511 ( 5.792 -4.602 0.738) 7.434 7.953 ( -4.722 0.195 1.886) 5.088 8.196 ( -5.293 -14.180 10.202) 18.253 8.330 ( -3.889 -7.834 3.954) 9.598 8.629 ( -16.052 -10.911 4.388) 19.899 9.180 ( 1.938 -7.513 -2.356) 8.109 9.389 ( -1.868 -0.054 3.707) 4.152 9.570 ( -1.654 -1.347 6.900) 7.222 10.157 ( -29.285 12.986 -6.104) 32.612 10.468 ( 7.604 -0.453 5.074) 9.153 10.899 ( -13.809 -4.822 3.643) 15.074 11.385 ( 6.554 -15.258 -1.772) 16.700 11.838 ( -14.141 -12.828 1.510) 19.152 12.200 ( 5.501 -6.262 -4.635) 9.537 12.421 ( -7.390 -18.463 -0.512) 19.894 13.822 ( 11.804 7.666 -4.463) 14.766 14.206 ( -8.235 8.910 -7.467) 14.246 14.742 ( 5.593 9.972 -22.625) 25.350 14.831 ( 1.690 6.401 -20.101) 21.163 15.464 ( 5.195 2.822 2.185) 6.303 15.571 ( 0.936 3.236 -2.224) 4.037 15.670 ( 8.030 -1.569 -4.249) 9.220 15.884 ( -2.407 -1.896 -5.855) 6.609 16.454 ( 7.446 9.702 9.743) 15.637 16.727 ( -3.772 14.588 4.342) 15.681 17.772 ( 15.223 -9.090 6.020) 18.724 18.504 ( -18.663 -14.796 -1.539) 23.866 19.583 ( 13.285 8.034 -1.171) 15.570 19.791 ( 3.726 5.539 -4.419) 8.006 20.512 ( 5.235 17.978 5.223) 19.439 20.776 ( -4.271 13.115 10.302) 17.215 23.279 ( 1.849 -1.043 1.265) 2.471 23.368 ( -2.210 -0.148 -0.156) 2.220 23.770 ( -0.653 -4.707 0.455) 4.774 23.799 ( -1.999 -6.413 0.581) 6.743 24.850 ( 7.742 6.792 3.519) 10.884 25.067 ( -2.719 5.162 6.209) 8.520 25.813 ( 19.176 4.613 -3.452) 20.023 26.569 ( -17.918 -2.026 -5.419) 18.829 ======================= Grid point 148 (36/105) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.061 ( -13.669 10.453 5.150) 17.961 4.061 ( 13.669 10.453 5.150) 17.961 4.589 ( -16.516 9.759 10.499) 21.869 4.589 ( 16.516 9.759 10.499) 21.869 5.471 ( -3.162 3.274 -3.680) 5.853 5.471 ( 3.162 3.274 -3.680) 5.853 6.643 ( -16.234 0.720 12.542) 20.527 6.643 ( 16.234 0.720 12.542) 20.527 7.475 ( -15.710 -10.824 -10.185) 21.626 7.475 ( 15.710 -10.824 -10.185) 21.626 7.991 ( -12.779 -10.920 14.892) 22.457 7.991 ( 12.779 -10.920 14.892) 22.457 8.396 ( -7.847 -3.504 3.898) 9.437 8.396 ( 7.847 -3.504 3.898) 9.437 9.293 ( -7.805 -4.180 0.139) 8.854 9.293 ( 7.805 -4.180 0.139) 8.854 9.686 ( -15.798 7.453 0.115) 17.468 9.686 ( 15.798 7.453 0.115) 17.468 10.653 ( -11.263 -1.691 4.302) 12.175 10.653 ( 11.263 -1.691 4.302) 12.175 11.573 ( -12.317 -15.504 1.553) 19.862 11.573 ( 12.317 -15.504 1.553) 19.862 12.306 ( -5.338 -11.408 -3.529) 13.080 12.306 ( 5.338 -11.408 -3.529) 13.080 14.032 ( -9.861 7.437 -5.723) 13.613 14.032 ( 9.861 7.437 -5.723) 13.613 14.822 ( -2.461 9.353 -21.598) 23.665 14.822 ( 2.461 9.353 -21.598) 23.665 15.543 ( -2.977 2.445 1.975) 4.329 15.543 ( 2.977 2.445 1.975) 4.329 15.809 ( -5.617 -2.499 -5.638) 8.341 15.809 ( 5.617 -2.499 -5.638) 8.341 16.606 ( -7.828 12.792 5.063) 15.829 16.606 ( 7.828 12.792 5.063) 15.829 18.124 ( -19.904 -12.196 3.793) 23.649 18.124 ( 19.904 -12.196 3.793) 23.649 19.773 ( -5.768 6.561 -5.026) 10.078 19.773 ( 5.768 6.561 -5.026) 10.078 20.647 ( -8.006 16.067 8.819) 20.001 20.647 ( 8.006 16.067 8.819) 20.001 23.322 ( -2.430 -0.571 0.558) 2.558 23.322 ( 2.430 -0.571 0.558) 2.558 23.772 ( -0.782 -5.833 0.433) 5.901 23.772 ( 0.782 -5.833 0.433) 5.901 24.983 ( -5.803 6.296 4.890) 9.860 24.983 ( 5.803 6.296 4.890) 9.860 26.198 ( -20.033 1.296 -4.481) 20.569 26.198 ( 20.033 1.296 -4.481) 20.569 ======================= Grid point 157 (37/105) ======================= q-point: ( 0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( 23.146 23.146 7.605) 33.606 3.767 ( 26.527 26.527 11.677) 39.290 4.968 ( 0.528 0.528 -6.233) 6.278 5.213 ( 0.039 0.039 4.470) 4.470 5.427 ( 4.400 4.400 -3.253) 7.021 5.814 ( -1.971 -1.971 3.830) 4.737 6.100 ( 4.963 4.963 -1.914) 7.275 6.487 ( 4.594 4.594 20.340) 21.352 6.969 ( -0.748 -0.748 3.018) 3.197 7.495 ( -5.835 -5.835 4.597) 9.446 8.019 ( -3.194 -3.194 4.607) 6.451 8.078 ( 1.267 1.267 2.193) 2.831 8.303 ( -9.860 -9.860 9.810) 17.049 8.677 ( -15.352 -15.352 5.055) 22.292 9.062 ( -6.660 -6.660 0.388) 9.427 9.396 ( -2.738 -2.738 4.600) 6.013 9.576 ( -3.691 -3.691 6.483) 8.324 10.359 ( -0.554 -0.554 4.687) 4.752 10.728 ( -8.015 -8.015 -8.059) 13.908 10.940 ( -7.648 -7.648 -1.970) 10.994 11.145 ( -7.141 -7.141 3.295) 10.624 11.946 ( -10.268 -10.268 -5.339) 15.471 12.068 ( 1.101 1.101 -5.000) 5.237 12.197 ( -18.535 -18.535 4.905) 26.668 13.782 ( 11.049 11.049 -3.280) 15.966 14.503 ( 0.589 0.589 -8.703) 8.743 14.702 ( 3.910 3.910 -18.320) 19.136 14.824 ( 6.799 6.799 -21.869) 23.889 15.418 ( 4.252 4.252 -2.417) 6.480 15.568 ( 6.652 6.652 7.419) 11.980 15.616 ( 1.598 1.598 -10.034) 10.286 15.888 ( -1.386 -1.386 -4.511) 4.919 16.482 ( 9.365 9.365 8.374) 15.669 16.952 ( 9.795 9.795 4.011) 14.421 17.513 ( -0.827 -0.827 2.770) 3.007 18.538 ( -14.829 -14.829 -10.755) 23.569 19.515 ( 12.723 12.723 10.790) 20.981 19.798 ( 6.998 6.998 -3.435) 10.476 20.660 ( 8.662 8.662 3.187) 12.658 20.953 ( 5.583 5.583 11.257) 13.750 23.246 ( 0.357 0.357 1.629) 1.705 23.397 ( -0.590 -0.590 -0.774) 1.138 23.729 ( -4.335 -4.335 0.811) 6.184 23.743 ( -3.717 -3.717 0.978) 5.347 24.843 ( 8.303 8.303 2.619) 12.031 25.155 ( 3.063 3.063 5.180) 6.752 25.657 ( 10.971 10.971 -2.598) 15.732 26.731 ( -9.958 -9.958 -6.037) 15.322 ======================= Grid point 158 (38/105) ======================= q-point: ( 0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( 25.674 14.249 4.946) 29.777 4.239 ( 20.277 20.818 12.111) 31.484 4.779 ( -14.302 4.513 -0.109) 14.998 5.122 ( -13.112 -1.626 5.793) 14.427 5.427 ( 0.023 2.984 -10.120) 10.550 5.670 ( -6.931 3.190 -7.976) 11.038 6.362 ( 16.119 3.373 13.381) 21.220 6.737 ( 8.910 -2.434 6.333) 11.199 6.971 ( 7.026 -3.571 10.181) 12.875 7.460 ( 2.535 -1.642 -0.027) 3.021 7.854 ( -10.900 -6.867 9.178) 15.818 8.019 ( -7.314 -6.047 11.262) 14.727 8.318 ( 2.372 5.777 2.654) 6.786 8.415 ( -8.761 -9.115 6.531) 14.230 8.990 ( 2.312 -12.665 -0.315) 12.879 9.315 ( -5.932 -7.173 5.551) 10.838 9.544 ( 3.037 -1.913 5.862) 6.873 10.228 ( -19.629 -5.073 -3.009) 20.496 10.540 ( -1.041 6.087 0.617) 6.206 10.782 ( -8.603 -5.767 3.304) 10.871 11.151 ( 6.127 -7.798 0.091) 9.918 11.652 ( -17.853 -5.245 -0.623) 18.618 12.034 ( -0.132 -17.716 -2.699) 17.921 12.089 ( -0.095 -8.162 -3.555) 8.903 13.998 ( 11.010 10.111 -4.164) 15.518 14.392 ( -8.867 9.553 -7.636) 15.106 14.832 ( 7.100 -2.275 -18.184) 19.654 14.931 ( 3.220 5.345 -20.492) 21.421 15.495 ( 3.400 1.670 1.316) 4.010 15.601 ( -2.219 -0.867 -2.866) 3.727 15.696 ( 6.214 3.560 3.111) 7.808 15.862 ( -1.805 0.030 -3.754) 4.166 16.675 ( 10.471 12.484 1.259) 16.342 17.022 ( -3.437 14.967 -2.828) 15.615 17.618 ( 12.171 -6.698 3.670) 14.369 18.240 ( -16.139 -12.727 -7.515) 21.884 19.754 ( 10.945 9.585 8.787) 16.996 19.908 ( 3.514 6.185 -1.338) 7.238 20.793 ( 5.921 10.899 4.962) 13.360 20.988 ( -1.815 7.838 10.048) 12.872 23.271 ( 2.159 0.473 1.230) 2.530 23.373 ( -2.035 0.618 -0.314) 2.150 23.663 ( -1.907 -6.096 0.884) 6.448 23.687 ( -2.357 -4.907 0.731) 5.492 25.000 ( 7.605 8.392 2.913) 11.693 25.181 ( -0.746 6.095 4.178) 7.427 25.908 ( 14.699 5.286 -3.716) 16.056 26.498 ( -13.835 -5.382 -5.322) 15.771 ======================= Grid point 159 (39/105) ======================= q-point: (-0.50 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.269 ( -18.789 10.515 4.347) 21.966 4.269 ( 18.789 10.515 4.347) 21.966 4.781 ( -17.131 8.034 9.444) 21.147 4.781 ( 17.131 8.034 9.444) 21.147 5.524 ( -8.169 4.056 -12.372) 15.371 5.524 ( 8.169 4.056 -12.372) 15.371 6.637 ( -11.557 -4.611 14.676) 19.241 6.637 ( 11.557 -4.611 14.676) 19.241 7.321 ( -18.912 -2.415 -3.685) 19.419 7.321 ( 18.912 -2.415 -3.685) 19.419 7.840 ( -9.922 -3.063 15.425) 18.595 7.840 ( 9.922 -3.063 15.425) 18.595 8.317 ( -3.725 -4.654 4.622) 7.543 8.317 ( 3.725 -4.654 4.622) 7.543 9.156 ( -10.404 -9.732 1.434) 14.318 9.156 ( 10.404 -9.732 1.434) 14.318 9.776 ( -20.929 0.202 1.677) 20.997 9.776 ( 20.929 0.202 1.677) 20.997 10.627 ( -7.104 -0.028 3.150) 7.771 10.627 ( 7.104 -0.028 3.150) 7.771 11.343 ( -13.306 -7.051 -0.318) 15.062 11.343 ( 13.306 -7.051 -0.318) 15.062 12.066 ( -2.068 -13.003 -3.667) 13.667 12.066 ( 2.068 -13.003 -3.667) 13.667 14.204 ( -10.285 9.928 -5.740) 15.404 14.204 ( 10.285 9.928 -5.740) 15.404 14.934 ( -2.909 1.466 -19.509) 19.779 14.934 ( 2.909 1.466 -19.509) 19.779 15.551 ( -2.643 -0.598 1.726) 3.213 15.551 ( 2.643 -0.598 1.726) 3.213 15.802 ( -4.455 1.561 -0.863) 4.799 15.802 ( 4.455 1.561 -0.863) 4.799 16.877 ( -9.876 14.431 -2.931) 17.731 16.877 ( 9.876 14.431 -2.931) 17.731 17.916 ( -16.939 -9.443 -1.650) 19.463 17.916 ( 16.939 -9.443 -1.650) 19.463 19.906 ( -4.117 7.140 3.456) 8.937 19.906 ( 4.117 7.140 3.456) 8.937 20.907 ( -5.704 10.054 7.691) 13.885 20.907 ( 5.704 10.054 7.691) 13.885 23.323 ( -2.883 0.789 0.552) 3.040 23.323 ( 2.883 0.789 0.552) 3.040 23.655 ( -0.806 -6.030 0.681) 6.121 23.655 ( 0.806 -6.030 0.681) 6.121 25.124 ( -4.930 7.943 3.399) 9.947 25.124 ( 4.930 7.943 3.399) 9.947 26.208 ( -15.747 -0.356 -4.544) 16.394 26.208 ( 15.747 -0.356 -4.544) 16.394 ======================= Grid point 169 (40/105) ======================= q-point: ( 0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.124 ( 17.071 17.071 2.516) 24.273 4.592 ( 13.517 13.517 12.461) 22.819 4.740 ( -8.604 -8.604 -1.982) 12.328 4.989 ( -6.829 -6.829 0.646) 9.679 5.546 ( 5.949 5.949 -15.511) 17.646 5.739 ( 4.143 4.143 0.622) 5.892 6.365 ( -1.209 -1.209 7.109) 7.311 6.603 ( -10.677 -10.677 5.384) 16.030 7.124 ( 15.597 15.597 16.959) 27.823 7.453 ( 0.368 0.368 6.099) 6.121 7.823 ( 3.008 3.008 11.878) 12.616 7.908 ( -3.844 -3.844 4.963) 7.362 8.170 ( -9.205 -9.205 9.197) 15.939 8.601 ( 7.635 7.635 1.888) 10.962 8.683 ( -10.900 -10.900 2.473) 15.613 9.147 ( -9.679 -9.679 6.012) 14.950 9.530 ( 2.697 2.697 4.079) 5.585 10.026 ( -15.292 -15.292 -0.859) 21.644 10.607 ( 1.620 1.620 0.675) 2.388 10.702 ( -3.005 -3.005 2.038) 4.712 11.126 ( 5.326 5.326 -0.403) 7.543 11.596 ( -8.811 -8.811 -2.034) 12.626 11.728 ( -4.761 -4.761 -2.266) 7.105 11.957 ( -7.002 -7.002 -3.588) 10.532 14.200 ( 10.578 10.578 -4.934) 15.753 14.513 ( 0.067 0.067 -6.557) 6.557 14.781 ( 1.024 1.024 -17.312) 17.372 14.973 ( -1.608 -1.608 -19.444) 19.577 15.534 ( 1.801 1.801 5.028) 5.637 15.570 ( -1.267 -1.267 2.182) 2.823 15.773 ( 3.861 3.861 1.382) 5.633 15.865 ( -0.391 -0.391 -2.644) 2.701 16.918 ( 12.242 12.242 -5.356) 18.122 17.234 ( 3.128 3.128 -10.474) 11.370 17.557 ( 3.617 3.617 1.728) 5.399 17.998 ( -12.498 -12.498 -9.898) 20.257 19.932 ( 7.991 7.991 13.713) 17.770 20.012 ( 3.916 3.916 4.916) 7.405 20.947 ( 5.656 5.656 4.503) 9.179 21.067 ( 0.584 0.584 8.067) 8.109 23.300 ( 2.335 2.335 1.132) 3.491 23.383 ( -0.101 -0.101 -0.117) 0.185 23.564 ( -3.497 -3.497 1.042) 5.054 23.602 ( -3.810 -3.810 0.553) 5.417 25.158 ( 7.473 7.473 2.442) 10.848 25.274 ( 2.743 2.743 2.846) 4.811 26.026 ( 7.204 7.204 -4.072) 10.972 26.363 ( -8.383 -8.383 -4.941) 12.844 ======================= Grid point 170 (41/105) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.451 ( -16.152 8.055 1.086) 18.082 4.451 ( 16.152 8.055 1.086) 18.082 4.837 ( -9.410 -2.080 3.946) 10.414 4.837 ( 9.410 -2.080 3.946) 10.414 5.701 ( -8.276 14.692 -7.275) 18.365 5.701 ( 8.276 14.692 -7.275) 18.365 6.415 ( -7.259 -16.801 7.769) 19.883 6.415 ( 7.258 -16.801 7.769) 19.883 7.388 ( -9.056 6.915 13.156) 17.404 7.388 ( 9.056 6.915 13.156) 17.404 7.865 ( -3.694 2.812 8.458) 9.648 7.865 ( 3.694 2.812 8.458) 9.648 8.248 ( -18.224 -0.398 4.178) 18.701 8.248 ( 18.224 -0.398 4.178) 18.701 8.933 ( -13.168 -12.428 3.813) 18.504 8.933 ( 13.168 -12.428 3.813) 18.504 9.705 ( -15.031 -5.521 2.144) 16.156 9.705 ( 15.031 -5.521 2.144) 16.156 10.647 ( -2.654 1.201 1.150) 3.132 10.647 ( 2.654 1.201 1.150) 3.132 11.321 ( -13.711 4.191 -1.360) 14.401 11.321 ( 13.711 4.191 -1.360) 14.401 11.815 ( -7.363 -12.490 -3.042) 14.815 11.815 ( 7.363 -12.490 -3.042) 14.815 14.397 ( -9.355 9.400 -6.107) 14.601 14.397 ( 9.355 9.400 -6.107) 14.601 14.883 ( -6.685 -5.554 -17.592) 19.622 14.883 ( 6.685 -5.554 -17.592) 19.622 15.556 ( -0.630 0.988 5.610) 5.731 15.556 ( 0.630 0.988 5.610) 5.731 15.837 ( -2.548 1.441 -1.068) 3.116 15.837 ( 2.548 1.441 -1.068) 3.116 17.136 ( -9.765 11.539 -8.578) 17.380 17.136 ( 9.765 11.539 -8.578) 17.380 17.751 ( -12.876 -7.606 -6.809) 16.432 17.751 ( 12.876 -7.606 -6.809) 16.432 20.034 ( -2.054 5.513 11.590) 12.998 20.034 ( 2.054 5.513 11.590) 12.998 21.033 ( -3.429 3.413 5.507) 7.330 21.033 ( 3.429 3.413 5.507) 7.330 23.353 ( -2.729 2.175 0.711) 3.562 23.353 ( 2.729 2.175 0.711) 3.562 23.547 ( -1.514 -4.881 0.597) 5.146 23.547 ( 1.514 -4.881 0.597) 5.146 25.268 ( -3.350 6.171 2.330) 7.398 25.268 ( 3.350 6.171 2.330) 7.398 26.188 ( -9.199 -1.391 -4.482) 10.327 26.188 ( 9.199 -1.391 -4.482) 10.327 ======================= Grid point 186 (42/105) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.548 ( 0.000 0.000 -0.964) 0.964 4.548 ( 0.000 0.000 -0.964) 0.964 4.786 ( -0.000 -0.000 0.792) 0.792 4.786 ( 0.000 0.000 0.792) 0.792 6.039 ( -0.000 -0.000 7.408) 7.408 6.039 ( 0.000 0.000 7.408) 7.408 6.059 ( -0.000 -0.000 -4.543) 4.543 6.059 ( 0.000 0.000 -4.543) 4.543 7.482 ( -0.000 -0.000 21.632) 21.632 7.482 ( 0.000 0.000 21.632) 21.632 7.872 ( 0.000 0.000 3.808) 3.808 7.872 ( 0.000 0.000 3.808) 3.808 8.295 ( 0.000 0.000 0.962) 0.962 8.295 ( 0.000 0.000 0.962) 0.962 8.769 ( -0.000 -0.000 6.642) 6.642 8.769 ( 0.000 0.000 6.642) 6.642 9.640 ( -0.000 -0.000 1.861) 1.861 9.640 ( 0.000 0.000 1.861) 1.861 10.659 ( 0.000 0.000 0.440) 0.440 10.659 ( 0.000 0.000 0.440) 0.440 11.412 ( -0.000 -0.000 -1.683) 1.683 11.412 ( -0.000 -0.000 -1.683) 1.683 11.650 ( 0.000 0.000 -2.594) 2.594 11.650 ( 0.000 0.000 -2.594) 2.594 14.514 ( 0.000 0.000 -5.669) 5.669 14.514 ( 0.000 0.000 -5.669) 5.669 14.800 ( -0.000 -0.000 -17.141) 17.141 14.800 ( 0.000 0.000 -17.141) 17.141 15.569 ( 0.000 0.000 7.197) 7.197 15.569 ( 0.000 0.000 7.197) 7.197 15.851 ( 0.000 0.000 -1.574) 1.574 15.851 ( 0.000 0.000 -1.574) 1.574 17.269 ( -0.000 -0.000 -10.323) 10.323 17.269 ( 0.000 0.000 -10.323) 10.323 17.658 ( -0.000 -0.000 -9.133) 9.133 17.658 ( 0.000 0.000 -9.133) 9.133 20.092 ( 0.000 0.000 15.174) 15.174 20.092 ( 0.000 0.000 15.174) 15.174 21.062 ( 0.000 0.000 4.161) 4.161 21.062 ( 0.000 0.000 4.161) 4.161 23.386 ( 0.000 0.000 1.007) 1.007 23.386 ( 0.000 0.000 1.007) 1.007 23.488 ( -0.000 -0.000 0.320) 0.320 23.488 ( 0.000 0.000 0.320) 0.320 25.333 ( 0.000 0.000 1.961) 1.961 25.333 ( 0.000 0.000 1.961) 1.961 26.171 ( 0.000 0.000 -4.447) 4.447 26.171 ( 0.000 0.000 -4.447) 4.447 ======================= Grid point 242 (43/105) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.000 0.000 45.983) 45.983 1.951 ( 0.000 0.000 49.938) 49.938 3.156 ( 0.000 0.000 72.540) 72.540 4.083 ( 0.000 0.000 18.484) 18.484 5.816 ( 0.000 0.000 15.177) 15.177 5.926 ( 0.000 0.000 -28.390) 28.390 6.048 ( 0.000 0.000 -48.841) 48.841 6.607 ( 0.000 0.000 37.768) 37.768 7.929 ( 0.000 0.000 7.082) 7.082 8.027 ( 0.000 0.000 -34.175) 34.175 8.603 ( 0.000 0.000 -8.876) 8.876 8.873 ( 0.000 0.000 19.883) 19.883 9.142 ( -0.000 -0.000 5.957) 5.957 9.371 ( 0.000 0.000 16.729) 16.729 9.693 ( 0.000 0.000 12.899) 12.899 9.910 ( 0.000 0.000 1.033) 1.033 10.051 ( 0.000 0.000 -3.291) 3.291 10.242 ( -0.000 -0.000 -6.434) 6.434 10.757 ( 0.000 0.000 1.471) 1.471 11.266 ( 0.000 0.000 20.081) 20.081 11.478 ( 0.000 0.000 22.280) 22.280 11.940 ( 0.000 0.000 -25.487) 25.487 12.666 ( -0.000 -0.000 -5.676) 5.676 13.352 ( 0.000 0.000 -19.762) 19.762 13.671 ( 0.000 0.000 -16.981) 16.981 13.705 ( 0.000 0.000 -20.748) 20.748 13.998 ( 0.000 0.000 -8.944) 8.944 14.456 ( 0.000 0.000 -16.442) 16.442 14.459 ( 0.000 0.000 18.216) 18.216 14.580 ( 0.000 0.000 -13.674) 13.674 15.199 ( 0.000 0.000 -1.086) 1.086 16.140 ( 0.000 0.000 -1.733) 1.733 16.581 ( 0.000 0.000 22.566) 22.566 16.665 ( 0.000 0.000 15.298) 15.298 16.688 ( 0.000 0.000 10.772) 10.772 18.027 ( 0.000 0.000 -8.601) 8.601 19.582 ( -0.000 -0.000 -8.547) 8.547 19.654 ( 0.000 0.000 -4.697) 4.697 20.299 ( 0.000 0.000 1.631) 1.631 20.359 ( 0.000 0.000 3.759) 3.759 23.426 ( -0.000 -0.000 -1.342) 1.342 23.619 ( 0.000 0.000 -6.515) 6.515 24.081 ( 0.000 0.000 2.050) 2.050 24.130 ( -0.000 -0.000 -0.051) 0.051 24.175 ( 0.000 0.000 5.574) 5.574 24.613 ( -0.000 -0.000 -5.064) 5.064 25.600 ( -0.000 -0.000 21.208) 21.208 27.049 ( 0.000 0.000 -10.500) 10.500 ======================= Grid point 243 (44/105) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 7.215 0.000 42.511) 43.119 2.114 ( 20.627 0.000 42.653) 47.378 3.525 ( 33.108 0.000 65.197) 73.121 4.195 ( 11.960 0.000 17.255) 20.995 5.482 ( -23.230 0.000 -20.132) 30.740 5.998 ( 2.410 0.000 -13.966) 14.172 6.123 ( 3.817 0.000 -16.709) 17.139 6.760 ( 13.409 0.000 29.367) 32.283 7.783 ( -10.059 0.000 -11.947) 15.618 8.101 ( 2.644 0.000 -11.460) 11.761 8.540 ( -10.683 0.000 -2.727) 11.026 8.807 ( -5.986 0.000 15.602) 16.711 9.097 ( -5.774 0.000 9.417) 11.046 9.387 ( 2.243 0.000 14.401) 14.575 9.540 ( -8.471 0.000 2.477) 8.825 9.827 ( -9.743 0.000 -4.592) 10.771 10.101 ( 6.040 0.000 3.388) 6.925 10.183 ( -9.379 0.000 -4.857) 10.562 10.966 ( 19.308 0.000 -5.351) 20.036 11.242 ( -2.621 0.000 17.687) 17.880 11.494 ( 0.981 0.000 21.075) 21.097 11.816 ( -10.537 0.000 -26.432) 28.455 12.780 ( 9.226 0.000 -4.180) 10.129 13.221 ( -15.449 0.000 -13.316) 20.396 13.595 ( -3.568 0.000 -20.449) 20.758 13.750 ( 3.906 0.000 -24.287) 24.599 14.066 ( 5.715 0.000 -8.859) 10.543 14.332 ( -11.994 0.000 5.216) 13.079 14.526 ( 8.215 0.000 -12.163) 14.678 14.735 ( 11.875 0.000 -11.633) 16.624 15.239 ( 4.340 0.000 3.580) 5.626 16.121 ( -3.823 0.000 1.532) 4.118 16.333 ( -3.910 0.000 17.356) 17.791 16.655 ( -2.091 0.000 11.175) 11.369 17.121 ( 24.966 0.000 12.039) 27.717 18.162 ( 13.278 0.000 -7.465) 15.233 19.528 ( -5.279 0.000 -7.569) 9.228 19.633 ( -1.660 0.000 -7.020) 7.214 20.179 ( -6.057 0.000 9.950) 11.649 20.486 ( 6.636 0.000 2.230) 7.000 23.424 ( -0.213 0.000 -1.249) 1.267 23.549 ( -6.368 0.000 -2.626) 6.888 23.991 ( -6.064 0.000 4.332) 7.453 24.113 ( -1.835 0.000 -0.103) 1.838 24.247 ( 6.629 0.000 4.803) 8.186 24.661 ( 5.097 0.000 -4.792) 6.996 25.577 ( -2.177 0.000 20.691) 20.805 27.063 ( -0.275 0.000 -12.893) 12.896 ======================= Grid point 244 (45/105) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 25.948 0.000 26.618) 37.172 2.645 ( 31.878 0.000 32.420) 45.467 4.265 ( 39.675 0.000 50.490) 64.214 4.519 ( 19.274 0.000 16.704) 25.505 5.044 ( -18.826 0.000 -29.277) 34.808 5.966 ( -6.028 0.000 16.225) 17.309 6.240 ( 9.506 0.000 -24.187) 25.988 7.033 ( 12.347 0.000 22.196) 25.399 7.600 ( -7.758 0.000 -13.135) 15.254 8.029 ( -17.827 0.000 6.091) 18.839 8.135 ( -21.106 0.000 5.179) 21.732 8.695 ( -3.938 0.000 8.624) 9.481 8.978 ( -5.762 0.000 5.995) 8.315 9.393 ( -3.803 0.000 3.034) 4.865 9.444 ( -2.996 0.000 1.468) 3.337 9.678 ( -5.048 0.000 -7.108) 8.718 9.967 ( -10.732 0.000 1.046) 10.783 10.124 ( -4.351 0.000 4.204) 6.050 11.103 ( -9.635 0.000 13.237) 16.372 11.373 ( 15.111 0.000 -15.524) 21.664 11.510 ( -2.508 0.000 16.863) 17.048 11.621 ( -2.703 0.000 -17.843) 18.047 12.817 ( -21.778 0.000 -8.287) 23.301 12.978 ( 10.825 0.000 -4.069) 11.565 13.567 ( -3.437 0.000 -18.856) 19.167 13.797 ( 1.229 0.000 -25.036) 25.066 14.052 ( -13.545 0.000 -1.089) 13.589 14.159 ( 2.976 0.000 -10.398) 10.815 14.776 ( 15.944 0.000 -12.689) 20.377 14.966 ( 11.775 0.000 -14.642) 18.790 15.355 ( 6.768 0.000 7.146) 9.842 16.032 ( -3.789 0.000 4.891) 6.187 16.394 ( 6.535 0.000 11.339) 13.087 16.620 ( -0.916 0.000 10.167) 10.209 17.551 ( 19.401 0.000 11.163) 22.384 18.497 ( 19.962 0.000 -6.822) 21.096 19.424 ( -4.114 0.000 -6.103) 7.360 19.598 ( -2.106 0.000 -9.960) 10.180 20.063 ( -6.615 0.000 16.703) 17.965 20.589 ( 3.809 0.000 3.196) 4.972 23.409 ( -2.480 0.000 0.069) 2.480 23.435 ( -3.268 0.000 1.209) 3.485 23.906 ( -2.745 0.000 2.792) 3.915 24.065 ( -3.007 0.000 -0.412) 3.035 24.414 ( 10.133 0.000 4.372) 11.036 24.819 ( 11.445 0.000 -3.893) 12.089 25.521 ( -3.508 0.000 18.576) 18.905 26.989 ( -7.682 0.000 -13.306) 15.364 ======================= Grid point 245 (46/105) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 33.352 0.000 14.160) 36.234 3.283 ( 32.721 0.000 24.123) 40.652 4.573 ( -7.456 0.000 -10.707) 13.047 4.932 ( 14.788 0.000 -0.689) 14.804 5.091 ( 24.607 0.000 39.778) 46.774 5.844 ( -1.850 0.000 19.648) 19.735 6.502 ( 17.551 0.000 -13.644) 22.231 7.043 ( -16.665 0.000 14.830) 22.308 7.466 ( -11.903 0.000 -13.218) 17.788 7.617 ( -3.514 0.000 8.303) 9.016 7.887 ( -9.336 0.000 9.754) 13.502 8.667 ( 0.395 0.000 6.038) 6.051 8.854 ( -7.031 0.000 5.783) 9.104 9.294 ( -10.589 0.000 -2.067) 10.789 9.317 ( -5.337 0.000 -2.502) 5.894 9.601 ( -5.297 0.000 -2.762) 5.974 9.757 ( -11.871 0.000 5.384) 13.035 9.979 ( -8.921 0.000 0.438) 8.931 10.824 ( -16.109 0.000 12.757) 20.549 11.285 ( -15.169 0.000 7.043) 16.725 11.575 ( 10.495 0.000 -7.169) 12.710 11.856 ( 16.507 0.000 -10.997) 19.835 12.466 ( -13.484 0.000 -3.819) 14.015 13.202 ( 8.141 0.000 -9.622) 12.604 13.349 ( -13.765 0.000 -3.691) 14.252 13.837 ( 2.646 0.000 -24.538) 24.680 13.912 ( -1.946 0.000 -10.501) 10.679 14.169 ( -1.761 0.000 -13.726) 13.838 15.075 ( 13.680 0.000 -13.324) 19.096 15.186 ( 10.464 0.000 -15.814) 18.962 15.478 ( 5.914 0.000 6.090) 8.489 15.964 ( -3.807 0.000 2.501) 4.555 16.507 ( 4.324 0.000 10.945) 11.768 16.637 ( 2.371 0.000 12.121) 12.351 17.903 ( 18.181 0.000 12.880) 22.281 18.869 ( 16.464 0.000 -9.318) 18.917 19.381 ( -1.194 0.000 -3.061) 3.286 19.532 ( -5.428 0.000 -8.831) 10.366 19.951 ( -2.579 0.000 15.987) 16.194 20.615 ( -1.598 0.000 2.331) 2.827 23.357 ( -1.458 0.000 2.517) 2.909 23.408 ( -1.010 0.000 0.104) 1.015 23.874 ( -0.755 0.000 0.963) 1.223 24.002 ( -3.312 0.000 -0.738) 3.393 24.622 ( 11.090 0.000 5.427) 12.346 25.091 ( 14.873 0.000 -0.283) 14.876 25.455 ( -1.959 0.000 12.503) 12.656 26.770 ( -14.646 0.000 -11.599) 18.683 ======================= Grid point 246 (47/105) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 29.445 0.000 9.053) 30.806 3.841 ( 21.846 0.000 16.255) 27.230 4.491 ( 0.227 0.000 -9.097) 9.099 4.910 ( -13.241 0.000 9.823) 16.487 5.423 ( 10.605 0.000 27.748) 29.705 6.004 ( 5.100 0.000 24.492) 25.017 6.482 ( -10.316 0.000 7.447) 12.723 7.139 ( 29.080 0.000 -3.759) 29.322 7.201 ( -14.317 0.000 -0.703) 14.334 7.636 ( 5.857 0.000 -11.858) 13.226 7.846 ( 0.533 0.000 5.293) 5.320 8.689 ( 1.280 0.000 6.015) 6.150 8.743 ( -3.952 0.000 10.847) 11.545 8.884 ( -31.595 0.000 -8.614) 32.748 9.258 ( -1.677 0.000 -2.922) 3.369 9.444 ( -8.760 0.000 6.712) 11.036 9.592 ( -3.414 0.000 1.796) 3.857 9.793 ( -10.067 0.000 10.273) 14.383 10.632 ( -1.926 0.000 8.469) 8.685 10.977 ( -15.599 0.000 4.971) 16.372 11.823 ( 14.186 0.000 -0.338) 14.190 12.161 ( 14.559 0.000 -11.022) 18.261 12.269 ( -7.470 0.000 0.171) 7.472 12.903 ( -21.714 0.000 -3.261) 21.957 13.504 ( 13.225 0.000 -9.610) 16.348 13.839 ( -2.907 0.000 -15.211) 15.486 13.937 ( 3.532 0.000 -20.357) 20.661 14.104 ( -4.485 0.000 -16.796) 17.384 15.281 ( 7.560 0.000 -11.258) 13.561 15.342 ( 4.913 0.000 -15.317) 16.086 15.598 ( 6.889 0.000 2.632) 7.375 15.872 ( -5.813 0.000 0.135) 5.815 16.577 ( 3.419 0.000 12.357) 12.822 16.669 ( 0.117 0.000 13.778) 13.778 18.287 ( 21.549 0.000 11.692) 24.517 19.024 ( -5.104 0.000 -10.174) 11.382 19.324 ( -1.769 0.000 9.029) 9.200 19.436 ( -3.050 0.000 -9.015) 9.517 20.038 ( 10.940 0.000 5.733) 12.351 20.516 ( -8.652 0.000 1.091) 8.720 23.350 ( 0.434 0.000 2.099) 2.143 23.387 ( -1.141 0.000 0.681) 1.329 23.873 ( 0.573 0.000 -0.098) 0.581 23.942 ( -2.838 0.000 -0.868) 2.968 24.839 ( 11.157 0.000 8.154) 13.820 25.199 ( -4.728 0.000 13.447) 14.254 25.616 ( 18.947 0.000 -5.067) 19.613 26.436 ( -19.549 0.000 -9.680) 21.814 ======================= Grid point 247 (48/105) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( -14.511 0.000 7.976) 16.559 3.925 ( 14.511 0.000 7.976) 16.559 4.623 ( -13.490 0.000 6.706) 15.065 4.623 ( 13.490 0.000 6.706) 15.065 5.700 ( -20.286 0.000 22.862) 30.565 5.700 ( 20.286 0.000 22.862) 30.565 6.761 ( -24.117 0.000 6.229) 24.908 6.761 ( 24.117 0.000 6.229) 24.908 7.670 ( -12.231 0.000 -6.679) 13.936 7.670 ( 12.231 0.000 -6.679) 13.936 8.122 ( -38.198 0.000 -9.553) 39.374 8.122 ( 38.198 0.000 -9.553) 39.374 8.725 ( -2.085 0.000 10.751) 10.951 8.725 ( 2.085 0.000 10.751) 10.951 9.292 ( -5.827 0.000 3.432) 6.762 9.292 ( 5.827 0.000 3.432) 6.762 9.627 ( -6.160 0.000 8.759) 10.708 9.627 ( 6.160 0.000 8.759) 10.708 10.722 ( -9.879 0.000 4.680) 10.931 10.722 ( 9.879 0.000 4.680) 10.931 12.077 ( -11.146 0.000 0.605) 11.162 12.077 ( 11.146 0.000 0.605) 11.162 12.502 ( -19.065 0.000 -5.494) 19.841 12.502 ( 19.065 0.000 -5.494) 19.841 13.726 ( -8.956 0.000 -12.065) 15.026 13.726 ( 8.956 0.000 -12.065) 15.026 14.015 ( -4.390 0.000 -19.891) 20.369 14.015 ( 4.390 0.000 -19.891) 20.369 15.370 ( -1.718 0.000 -11.849) 11.973 15.370 ( 1.718 0.000 -11.849) 11.973 15.742 ( -7.469 0.000 -0.528) 7.487 15.742 ( 7.469 0.000 -0.528) 7.487 16.640 ( -2.778 0.000 13.772) 14.049 16.640 ( 2.778 0.000 13.772) 14.049 18.715 ( -21.547 0.000 5.734) 22.297 18.715 ( 21.547 0.000 5.734) 22.297 19.373 ( -3.811 0.000 -3.528) 5.193 19.373 ( 3.811 0.000 -3.528) 5.193 20.294 ( -13.599 0.000 1.369) 13.668 20.294 ( 13.599 0.000 1.369) 13.668 23.366 ( -1.040 0.000 1.387) 1.733 23.366 ( 1.040 0.000 1.387) 1.733 23.896 ( -1.815 0.000 -0.672) 1.935 23.896 ( 1.815 0.000 -0.672) 1.935 25.045 ( -9.863 0.000 11.539) 15.180 25.045 ( 9.863 0.000 11.539) 15.180 26.029 ( -22.005 0.000 -7.927) 23.389 26.029 ( 22.005 0.000 -7.927) 23.389 ======================= Grid point 254 (49/105) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 13.313 13.313 37.992) 42.402 2.168 ( 14.113 14.113 38.486) 43.354 3.829 ( 27.659 27.659 58.067) 70.013 4.300 ( 11.615 11.615 17.890) 24.288 5.405 ( -11.304 -11.304 -18.384) 24.363 5.761 ( -8.447 -8.447 -28.578) 30.974 6.320 ( 7.457 7.457 0.822) 10.578 6.835 ( 8.092 8.092 26.848) 29.185 7.714 ( -6.277 -6.277 -13.132) 15.850 8.037 ( -8.011 -8.011 -3.404) 11.830 8.474 ( -8.051 -8.051 1.866) 11.537 8.758 ( -3.695 -3.695 8.313) 9.820 9.084 ( -3.213 -3.213 12.326) 13.137 9.366 ( -1.607 -1.607 12.076) 12.288 9.482 ( -4.119 -4.119 -0.936) 5.899 9.783 ( -11.776 -11.776 -9.487) 19.167 9.877 ( -2.453 -2.453 5.049) 6.126 10.413 ( 6.848 6.848 -1.228) 9.763 11.004 ( 5.887 5.887 -1.727) 8.502 11.248 ( -0.129 -0.129 12.392) 12.393 11.487 ( -0.186 -0.186 13.313) 13.316 11.720 ( -8.005 -8.005 -22.016) 24.756 12.859 ( 6.562 6.562 -5.002) 10.543 13.098 ( -13.775 -13.775 -9.565) 21.703 13.533 ( -4.051 -4.051 -20.028) 20.831 13.809 ( 4.413 4.413 -24.672) 25.449 14.095 ( 3.190 3.190 -11.668) 12.509 14.300 ( -4.779 -4.779 8.364) 10.753 14.596 ( 6.102 6.102 -21.257) 22.942 14.773 ( 6.253 6.253 -9.108) 12.695 15.290 ( 4.841 4.841 5.631) 8.864 16.102 ( -2.796 -2.796 3.815) 5.495 16.300 ( 1.144 1.144 14.376) 14.467 16.685 ( 1.043 1.043 9.390) 9.505 17.289 ( 14.586 14.586 11.407) 23.571 18.280 ( 11.541 11.541 -6.830) 17.693 19.469 ( -5.945 -5.945 -7.420) 11.214 19.573 ( -4.173 -4.173 -5.852) 8.311 20.204 ( 2.154 2.154 10.593) 11.022 20.560 ( 6.239 6.239 3.635) 9.543 23.422 ( -0.303 -0.303 -1.200) 1.274 23.490 ( -5.232 -5.232 -0.129) 7.401 23.958 ( -3.078 -3.078 3.887) 5.836 24.078 ( -2.774 -2.774 0.292) 3.933 24.307 ( 5.901 5.901 4.376) 9.423 24.711 ( 5.238 5.238 -4.551) 8.693 25.559 ( -1.752 -1.752 20.037) 20.190 27.057 ( -1.541 -1.541 -13.769) 13.941 ======================= Grid point 255 (50/105) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 23.382 17.037 25.752) 38.732 2.675 ( 31.446 5.438 29.925) 43.749 4.419 ( 28.122 12.701 33.736) 45.719 4.660 ( 24.605 16.281 27.857) 40.577 5.081 ( -15.905 3.247 -26.271) 30.882 5.731 ( 1.946 -17.173 -13.473) 21.913 6.377 ( 0.244 7.695 4.188) 8.765 7.044 ( 11.477 1.545 21.129) 24.095 7.577 ( -7.984 -2.260 -9.852) 12.881 7.753 ( -19.663 -19.943 9.179) 29.472 8.214 ( -17.632 0.232 1.985) 17.745 8.689 ( -2.522 -1.141 6.320) 6.900 8.977 ( -6.808 -1.316 11.574) 13.492 9.312 ( -4.930 -6.759 2.587) 8.757 9.418 ( -4.769 -2.931 -2.143) 5.994 9.563 ( -7.131 -10.386 -5.623) 13.796 9.860 ( -0.837 -0.737 7.214) 7.300 10.391 ( -7.622 14.901 1.787) 16.833 11.054 ( -7.410 -6.437 8.319) 12.866 11.257 ( 2.853 -6.478 -1.946) 7.341 11.528 ( -0.370 -7.947 -16.404) 18.232 11.604 ( 3.180 6.354 4.147) 8.227 12.700 ( -21.289 -12.089 -9.186) 26.149 13.036 ( 8.366 4.633 -4.283) 10.479 13.435 ( -7.856 -10.961 -12.979) 18.717 13.877 ( 2.965 6.483 -23.954) 24.992 14.090 ( -5.334 5.562 -4.674) 9.012 14.232 ( 0.900 3.651 -11.781) 12.367 14.793 ( 13.708 2.828 -16.657) 21.757 14.955 ( 11.222 0.118 -12.929) 17.120 15.402 ( 6.049 4.209 6.794) 10.023 16.036 ( -3.291 -0.185 4.552) 5.621 16.395 ( 6.955 1.824 11.936) 13.934 16.693 ( 0.410 5.627 8.089) 9.862 17.580 ( 14.264 2.743 11.894) 18.774 18.567 ( 16.678 6.299 -7.378) 19.294 19.346 ( -5.401 -7.441 -5.151) 10.539 19.512 ( -1.829 -3.651 -5.719) 7.027 20.231 ( 0.052 12.618 12.050) 17.448 20.679 ( 5.159 8.261 4.667) 10.800 23.388 ( -3.958 -2.556 2.019) 5.126 23.416 ( -0.760 -0.969 -0.567) 1.356 23.897 ( -2.706 -0.970 2.481) 3.798 24.021 ( -3.051 -4.011 0.083) 5.041 24.461 ( 9.513 4.698 4.104) 11.376 24.868 ( 11.054 4.984 -3.701) 12.678 25.514 ( -2.834 -0.728 17.746) 17.986 26.970 ( -7.805 -2.355 -13.452) 15.729 ======================= Grid point 256 (51/105) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 31.437 12.458 14.803) 36.914 3.307 ( 32.505 4.205 22.770) 39.909 4.633 ( -5.828 6.056 -8.919) 12.255 4.962 ( 10.308 4.620 2.338) 11.535 5.219 ( 18.096 9.983 25.538) 32.853 5.809 ( 8.669 -4.330 11.706) 15.196 6.417 ( 5.214 -5.125 -2.522) 7.734 7.088 ( -15.198 -2.009 15.022) 21.463 7.324 ( -5.125 -7.464 -4.031) 9.910 7.580 ( -0.659 -3.329 5.619) 6.564 7.908 ( -10.301 0.581 4.175) 11.130 8.661 ( -1.009 -1.855 7.540) 7.831 8.814 ( -9.656 -4.349 9.476) 14.210 9.167 ( -11.386 -9.516 -1.759) 14.943 9.271 ( -5.980 -5.176 -5.456) 9.609 9.522 ( -0.645 -3.068 4.905) 5.821 9.821 ( -3.936 3.039 8.037) 9.451 10.158 ( -16.260 14.894 -4.271) 22.460 10.790 ( -14.998 -4.518 11.699) 19.550 11.263 ( -7.865 -3.875 3.842) 9.572 11.465 ( 3.398 -8.467 -5.312) 10.557 11.836 ( 14.196 -1.236 -10.135) 17.486 12.356 ( -12.867 -10.849 -4.950) 17.543 13.056 ( -12.720 -16.281 -8.748) 22.436 13.362 ( 7.532 4.980 -3.181) 9.573 13.936 ( 1.923 9.043 -19.865) 21.911 14.006 ( -1.605 7.511 -11.928) 14.187 14.248 ( -0.491 7.096 -17.448) 18.843 15.060 ( 12.643 -0.815 -14.808) 19.488 15.181 ( 11.339 -0.117 -16.157) 19.740 15.508 ( 4.971 2.783 5.852) 8.167 15.971 ( -3.725 0.353 2.721) 4.626 16.519 ( 5.233 2.225 12.178) 13.440 16.714 ( 1.530 6.644 9.529) 11.717 17.846 ( 14.068 -5.291 12.712) 19.685 18.836 ( 7.674 -6.841 -12.146) 15.913 19.285 ( 0.223 -2.415 1.838) 3.043 19.518 ( 2.434 1.779 -5.880) 6.608 20.216 ( -0.465 19.647 11.179) 22.610 20.731 ( -0.335 10.804 3.913) 11.496 23.339 ( -1.080 -1.707 2.516) 3.226 23.401 ( -0.946 -0.660 -0.227) 1.176 23.859 ( -1.272 -1.554 1.077) 2.279 23.961 ( -3.118 -4.038 -0.247) 5.108 24.658 ( 10.670 3.736 5.180) 12.435 25.121 ( 13.143 3.033 0.387) 13.494 25.467 ( -0.370 1.274 10.966) 11.046 26.756 ( -14.141 -1.703 -11.760) 18.470 ======================= Grid point 257 (52/105) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( 28.461 10.004 9.650) 31.674 3.871 ( 23.181 3.889 15.537) 28.176 4.566 ( -0.026 7.562 -8.296) 11.225 4.923 ( -12.929 1.698 11.548) 17.418 5.416 ( 6.448 -0.522 13.765) 15.209 5.965 ( -5.999 -6.909 23.228) 24.965 6.465 ( 6.215 1.407 7.845) 10.107 7.027 ( 8.077 -12.609 -10.400) 18.231 7.225 ( -1.739 5.161 7.929) 9.619 7.648 ( 7.143 -3.559 -2.494) 8.361 7.837 ( 1.421 3.374 0.348) 3.678 8.633 ( -7.272 -7.327 10.166) 14.488 8.653 ( -2.691 -6.062 8.027) 10.413 8.867 ( -17.485 -2.984 1.674) 17.817 9.217 ( 0.005 -3.793 -2.388) 4.482 9.483 ( -4.742 2.546 7.130) 8.933 9.691 ( -8.863 8.967 1.022) 12.649 9.810 ( -14.841 2.980 6.292) 16.392 10.633 ( -0.158 -0.512 8.331) 8.348 10.999 ( -15.281 1.439 4.236) 15.922 11.663 ( 13.731 -14.713 -0.503) 20.132 12.066 ( 4.665 -9.177 -6.566) 12.210 12.199 ( -0.354 -6.733 -4.631) 8.180 12.723 ( -18.311 -16.173 -5.473) 25.037 13.580 ( 11.981 6.481 -6.384) 15.043 13.901 ( -4.170 5.992 -10.080) 12.446 14.050 ( 4.032 9.956 -22.312) 24.763 14.209 ( -3.354 9.952 -20.033) 22.619 15.262 ( 8.063 -1.674 -13.747) 16.024 15.349 ( 4.913 0.449 -16.447) 17.171 15.612 ( 6.375 1.523 3.486) 7.424 15.882 ( -5.694 0.806 0.726) 5.796 16.604 ( 4.020 3.034 12.862) 13.813 16.725 ( -0.945 5.267 12.153) 13.278 18.151 ( 17.500 -12.008 9.603) 23.295 18.788 ( -10.820 -19.887 -7.433) 23.829 19.376 ( 7.209 8.743 1.860) 11.483 19.560 ( 0.176 7.829 -4.194) 8.883 20.271 ( 7.154 19.790 6.953) 22.163 20.656 ( -7.330 13.088 3.002) 15.299 23.337 ( 0.654 -1.194 2.028) 2.443 23.380 ( -1.197 -0.676 0.513) 1.467 23.848 ( 0.138 -2.488 0.142) 2.496 23.904 ( -2.591 -3.687 -0.441) 4.528 24.867 ( 10.724 2.947 7.735) 13.547 25.207 ( -4.350 0.906 12.605) 13.366 25.646 ( 18.301 2.945 -5.141) 19.236 26.434 ( -18.800 -0.367 -9.867) 21.236 ======================= Grid point 258 (53/105) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( -12.301 7.986 8.342) 16.872 4.008 ( 12.301 7.986 8.342) 16.872 4.656 ( -11.324 3.828 6.453) 13.584 4.656 ( 11.324 3.828 6.453) 13.584 5.631 ( -17.800 -6.883 16.212) 25.041 5.631 ( 17.800 -6.883 16.212) 25.041 6.792 ( -20.001 2.661 6.999) 21.357 6.792 ( 20.001 2.661 6.999) 21.357 7.526 ( -16.563 -10.959 -7.018) 21.064 7.526 ( 16.563 -10.959 -7.018) 21.064 8.200 ( -29.844 5.115 -3.100) 30.437 8.200 ( 29.844 5.115 -3.100) 30.437 8.690 ( -3.847 -4.468 13.801) 15.008 8.690 ( 3.847 -4.468 13.801) 15.008 9.301 ( -9.359 1.531 1.104) 9.548 9.301 ( 9.359 1.531 1.104) 9.548 9.645 ( -4.035 2.033 8.368) 9.510 9.645 ( 4.035 2.033 8.368) 9.510 10.743 ( -10.291 1.469 4.468) 11.314 10.743 ( 10.291 1.469 4.468) 11.314 11.928 ( -12.346 -14.097 1.336) 18.787 11.928 ( 12.346 -14.097 1.336) 18.787 12.398 ( -14.687 -9.549 -7.676) 19.126 12.398 ( 14.687 -9.549 -7.676) 19.126 13.782 ( -8.411 5.109 -8.073) 12.729 13.782 ( 8.411 5.109 -8.073) 12.729 14.132 ( -4.298 11.007 -22.170) 25.123 14.132 ( 4.298 11.007 -22.170) 25.123 15.367 ( -2.560 -0.541 -13.930) 14.174 15.367 ( 2.560 -0.541 -13.930) 14.174 15.752 ( -7.449 1.132 0.312) 7.541 15.752 ( 7.449 1.132 0.312) 7.541 16.679 ( -3.453 3.880 13.321) 14.298 16.679 ( 3.453 3.880 13.321) 14.298 18.500 ( -17.583 -17.745 2.457) 25.101 18.500 ( 17.583 -17.745 2.457) 25.101 19.504 ( -5.384 10.681 -1.738) 12.087 19.504 ( 5.384 10.681 -1.738) 12.087 20.466 ( -11.358 15.860 3.545) 19.826 20.466 ( 11.358 15.860 3.545) 19.826 23.356 ( -1.180 -0.863 1.305) 1.960 23.356 ( 1.180 -0.863 1.305) 1.960 23.864 ( -1.503 -3.192 -0.345) 3.545 23.864 ( 1.503 -3.192 -0.345) 3.545 25.064 ( -9.301 1.988 10.879) 14.450 25.064 ( 9.301 1.988 10.879) 14.450 26.043 ( -21.133 1.266 -8.074) 22.658 26.043 ( 21.133 1.266 -8.074) 22.658 ======================= Grid point 266 (54/105) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 19.347 19.347 25.219) 37.210 2.980 ( 26.198 26.198 20.374) 42.282 4.688 ( 14.018 14.018 14.833) 24.759 5.089 ( 6.182 6.182 2.103) 8.992 5.114 ( 15.139 15.139 10.781) 23.970 5.485 ( -2.754 -2.754 -25.943) 26.234 6.438 ( -2.129 -2.129 13.288) 13.625 7.113 ( 5.001 5.001 17.273) 18.665 7.294 ( -21.950 -21.950 17.199) 35.488 7.585 ( 0.317 0.317 -4.797) 4.818 8.088 ( -12.682 -12.682 -2.710) 18.138 8.618 ( -5.544 -5.544 9.956) 12.673 8.928 ( -3.953 -3.953 14.911) 15.925 9.173 ( -8.176 -8.176 2.608) 11.853 9.270 ( -10.068 -10.068 -9.672) 17.212 9.472 ( 0.801 0.801 4.656) 4.792 9.878 ( 0.886 0.886 10.595) 10.669 10.553 ( 0.276 0.276 4.776) 4.792 10.874 ( -10.903 -10.903 -5.463) 16.358 11.160 ( -4.496 -4.496 3.977) 7.499 11.392 ( -4.114 -4.114 -8.504) 10.304 11.737 ( 6.849 6.849 -3.083) 10.165 12.380 ( -18.847 -18.847 -9.606) 28.332 12.996 ( -13.241 -13.241 -7.928) 20.335 13.332 ( 5.042 5.042 -2.881) 7.691 14.012 ( 7.126 7.126 -21.931) 24.136 14.208 ( 2.467 2.467 -13.716) 14.153 14.263 ( 2.682 2.682 -9.525) 10.252 14.923 ( 9.943 9.943 -21.645) 25.811 15.006 ( 5.644 5.644 -12.207) 14.585 15.492 ( 4.568 4.568 5.987) 8.808 16.013 ( -1.989 -1.989 4.472) 5.283 16.482 ( 6.234 6.234 12.087) 14.961 16.793 ( 4.367 4.367 5.267) 8.117 17.644 ( 3.575 3.575 12.837) 13.797 18.666 ( 1.336 1.336 -10.886) 11.049 19.260 ( 1.648 1.648 0.318) 2.352 19.503 ( 2.513 2.513 -5.033) 6.161 20.448 ( 8.896 8.896 10.694) 16.512 20.854 ( 8.525 8.525 6.274) 13.591 23.332 ( -2.530 -2.530 2.609) 4.428 23.402 ( -0.672 -0.672 -1.123) 1.472 23.866 ( -2.282 -2.282 1.924) 3.757 23.935 ( -4.356 -4.356 0.582) 6.187 24.588 ( 8.168 8.168 3.957) 12.210 25.008 ( 9.353 9.353 -2.802) 13.520 25.497 ( -0.817 -0.817 14.875) 14.920 26.882 ( -7.060 -7.060 -13.028) 16.413 ======================= Grid point 267 (55/105) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 26.574 13.427 17.463) 34.517 3.547 ( 29.928 21.230 16.430) 40.204 4.787 ( -4.037 8.430 -5.620) 10.906 5.075 ( 2.559 3.905 -3.925) 6.099 5.411 ( 6.139 11.038 3.305) 13.056 5.698 ( 16.270 -5.147 2.950) 17.318 6.338 ( -4.554 -7.316 10.542) 13.616 6.897 ( -11.738 -7.184 12.271) 18.439 7.305 ( 10.355 -0.296 18.403) 21.118 7.533 ( -9.216 -1.858 0.729) 9.429 7.897 ( -0.900 0.272 -0.989) 1.364 8.509 ( -5.997 -12.163 10.451) 17.121 8.758 ( -12.075 -2.242 14.631) 19.102 8.996 ( -10.713 -9.270 5.536) 15.210 9.140 ( -3.165 -6.215 -5.149) 8.669 9.507 ( 1.782 0.604 6.058) 6.344 9.860 ( -3.201 0.553 13.233) 13.626 10.428 ( -14.200 10.430 -5.950) 18.597 10.633 ( -10.432 -10.423 4.009) 15.282 11.108 ( -0.761 -9.870 0.688) 9.923 11.326 ( -4.915 -6.763 0.014) 8.360 11.848 ( 4.457 2.541 -9.036) 10.391 12.088 ( -8.997 -15.295 -7.321) 19.196 12.660 ( -18.219 -22.855 -5.660) 29.771 13.514 ( 11.253 9.705 -2.974) 15.155 14.139 ( 1.094 10.893 -14.703) 18.331 14.161 ( 0.922 8.597 -17.199) 19.250 14.368 ( 4.720 3.290 -17.272) 18.206 15.087 ( 7.522 4.417 -16.229) 18.425 15.199 ( 11.803 2.522 -19.107) 22.600 15.569 ( 3.493 3.013 4.760) 6.629 15.966 ( -2.874 -0.904 4.063) 5.058 16.598 ( 5.292 5.376 12.155) 14.305 16.857 ( 1.949 7.519 4.906) 9.187 17.729 ( 5.925 -6.151 11.131) 14.030 18.589 ( -8.084 -15.600 -12.371) 21.489 19.408 ( 10.968 12.324 3.098) 16.786 19.604 ( 7.392 7.015 -2.726) 10.549 20.571 ( 4.408 15.688 10.176) 19.211 20.969 ( 2.593 12.033 6.242) 13.802 23.303 ( -0.389 -1.649 2.367) 2.911 23.388 ( -0.863 -0.609 -0.783) 1.315 23.816 ( -2.484 -2.761 1.230) 3.913 23.862 ( -3.166 -5.648 0.635) 6.506 24.764 ( 9.665 6.963 4.796) 12.841 25.201 ( 8.323 4.883 2.642) 10.004 25.508 ( 3.877 3.149 6.281) 8.025 26.694 ( -12.302 -4.954 -11.721) 17.699 ======================= Grid point 268 (56/105) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( 27.021 8.972 11.633) 30.756 4.064 ( 21.293 17.260 11.403) 29.688 4.750 ( 0.681 9.331 -2.655) 9.726 4.981 ( -11.037 4.404 5.462) 13.079 5.426 ( -3.823 2.144 -3.839) 5.827 5.716 ( -12.085 -16.253 13.735) 24.471 6.489 ( 18.155 -4.476 0.024) 18.698 6.868 ( 5.106 1.334 4.165) 6.722 7.282 ( -7.152 -0.800 2.340) 7.568 7.543 ( 4.485 -3.466 14.794) 15.843 7.977 ( 7.632 8.712 0.105) 11.582 8.400 ( -4.168 -12.831 12.924) 18.683 8.577 ( -5.229 -3.690 12.696) 14.217 8.757 ( -13.328 -8.011 11.286) 19.214 9.127 ( 2.932 -5.350 -2.627) 6.642 9.517 ( -1.897 0.607 8.336) 8.570 9.765 ( -5.608 -0.214 12.754) 13.934 10.000 ( -24.168 12.153 -8.614) 28.390 10.597 ( 4.426 -2.777 7.118) 8.830 10.983 ( -12.332 -4.167 4.385) 13.736 11.353 ( 9.600 -14.753 -1.385) 17.656 11.838 ( -7.997 -13.195 -2.125) 15.575 12.053 ( 4.856 -7.322 -9.803) 13.164 12.358 ( -12.094 -20.147 -6.909) 24.493 13.729 ( 10.466 8.728 -4.056) 14.219 14.043 ( -6.058 8.373 -7.668) 12.868 14.277 ( 5.934 12.365 -22.551) 26.394 14.414 ( -0.019 9.004 -20.163) 22.082 15.236 ( 7.412 -0.231 -16.209) 17.824 15.363 ( 3.828 1.528 -18.648) 19.098 15.651 ( 5.810 2.168 2.966) 6.874 15.895 ( -4.649 0.489 2.546) 5.323 16.690 ( 4.498 5.375 11.817) 13.739 16.853 ( -2.417 7.517 7.812) 11.108 17.895 ( 11.245 -13.313 5.032) 18.139 18.391 ( -11.924 -19.806 -8.859) 24.758 19.609 ( 9.080 14.279 2.269) 17.073 19.738 ( 4.606 11.073 1.131) 12.046 20.660 ( 5.894 18.286 8.199) 20.889 20.945 ( -4.796 14.795 5.832) 16.610 23.312 ( 1.118 -1.147 1.893) 2.480 23.367 ( -1.294 -0.492 0.103) 1.388 23.781 ( -0.984 -4.271 0.597) 4.423 23.810 ( -2.204 -5.673 0.425) 6.101 24.952 ( 9.601 5.800 6.684) 13.058 25.240 ( -3.406 2.572 10.457) 11.295 25.719 ( 16.457 4.302 -5.420) 17.853 26.413 ( -16.485 -2.072 -10.038) 19.412 ======================= Grid point 269 (57/105) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.196 ( -11.989 10.176 8.222) 17.745 4.196 ( 11.989 10.176 8.222) 17.745 4.788 ( -7.206 9.932 5.812) 13.577 4.788 ( 7.206 9.932 5.812) 13.577 5.459 ( -10.433 -9.793 5.060) 15.177 5.459 ( 10.433 -9.793 5.060) 15.177 6.814 ( -12.393 -1.922 -2.994) 12.894 6.814 ( 12.393 -1.922 -2.994) 12.894 7.385 ( -14.868 -1.131 7.871) 16.861 7.385 ( 14.868 -1.131 7.871) 16.861 8.243 ( -14.906 -1.874 6.028) 16.187 8.243 ( 14.906 -1.874 6.028) 16.187 8.564 ( -4.239 -6.607 14.905) 16.846 8.564 ( 4.239 -6.607 14.905) 16.846 9.320 ( -16.016 -1.310 2.252) 16.227 9.320 ( 16.016 -1.310 2.252) 16.227 9.725 ( -4.011 6.184 5.127) 8.979 9.725 ( 4.011 6.184 5.127) 8.979 10.749 ( -10.586 -1.243 4.796) 11.688 10.749 ( 10.586 -1.243 4.796) 11.688 11.601 ( -14.295 -17.646 0.678) 22.720 11.601 ( 14.295 -17.646 0.678) 22.720 12.180 ( -7.412 -12.136 -9.356) 17.022 12.180 ( 7.412 -12.136 -9.356) 17.022 13.908 ( -8.040 7.841 -5.668) 12.580 13.908 ( 8.040 7.841 -5.668) 12.580 14.374 ( -3.845 12.191 -21.814) 25.284 14.374 ( 3.845 12.191 -21.814) 25.284 15.352 ( -4.023 -0.434 -16.495) 16.984 15.352 ( 4.023 -0.434 -16.495) 16.984 15.783 ( -6.854 1.798 1.172) 7.182 15.783 ( 6.854 1.798 1.172) 7.182 16.779 ( -4.610 6.148 10.645) 13.128 16.779 ( 4.610 6.148 10.645) 13.128 18.141 ( -13.442 -18.054 -2.583) 22.657 18.141 ( 13.442 -18.054 -2.583) 22.657 19.742 ( -4.039 13.811 2.417) 14.591 19.742 ( 4.039 13.811 2.417) 14.591 20.807 ( -8.483 17.030 6.270) 20.033 20.807 ( 8.483 17.030 6.270) 20.033 23.339 ( -1.516 -0.703 1.119) 2.011 23.339 ( 1.516 -0.703 1.119) 2.011 23.780 ( -0.818 -5.254 0.314) 5.327 23.780 ( 0.818 -5.254 0.314) 5.327 25.124 ( -7.838 4.273 9.068) 12.725 25.124 ( 7.838 4.273 9.068) 12.725 26.069 ( -18.595 1.156 -8.243) 20.373 26.069 ( 18.595 1.156 -8.243) 20.373 ======================= Grid point 278 (58/105) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( 18.857 18.857 13.783) 30.019 4.037 ( 26.824 26.824 13.944) 40.416 4.848 ( -2.685 -2.685 -5.931) 7.043 5.129 ( 3.183 3.183 -11.304) 12.167 5.504 ( -6.859 -6.859 8.641) 12.991 5.771 ( 9.369 9.369 -11.870) 17.789 6.083 ( -8.414 -8.414 6.113) 13.378 6.941 ( 5.416 5.416 25.399) 26.529 7.313 ( 2.897 2.897 3.132) 5.157 7.422 ( -7.009 -7.009 12.985) 16.336 8.017 ( 10.311 10.311 2.028) 14.722 8.292 ( -8.878 -8.878 11.177) 16.810 8.646 ( -8.615 -8.615 19.541) 23.029 8.792 ( -11.112 -11.112 5.889) 16.781 9.069 ( -3.028 -3.028 3.272) 5.390 9.512 ( -0.338 -0.338 6.984) 7.001 9.818 ( -5.108 -5.108 16.858) 18.341 10.385 ( -10.341 -10.341 -7.029) 16.226 10.569 ( -0.139 -0.139 -2.185) 2.194 10.943 ( -6.148 -6.148 0.785) 8.729 11.202 ( -5.687 -5.687 2.886) 8.545 11.815 ( -9.081 -9.081 -7.972) 15.116 11.917 ( 0.933 0.933 -9.702) 9.791 12.225 ( -20.286 -20.286 -3.683) 28.924 13.714 ( 10.509 10.509 -2.986) 15.160 14.283 ( 2.447 2.447 -13.082) 13.532 14.358 ( 8.550 8.550 -18.972) 22.498 14.384 ( 3.093 3.093 -15.472) 16.079 15.182 ( 4.183 4.183 -15.666) 16.746 15.315 ( 8.918 8.918 -21.989) 25.349 15.615 ( 1.977 1.977 2.861) 4.000 15.941 ( -1.662 -1.662 5.117) 5.631 16.702 ( 5.057 5.057 10.989) 13.112 16.981 ( 4.528 4.528 0.760) 6.449 17.634 ( -2.739 -2.739 7.229) 8.202 18.297 ( -14.166 -14.166 -12.209) 23.461 19.672 ( 13.343 13.343 2.437) 19.026 19.786 ( 11.425 11.425 4.493) 16.771 20.803 ( 8.598 8.598 9.774) 15.601 21.146 ( 5.495 5.495 7.204) 10.596 23.286 ( 0.032 0.032 2.147) 2.148 23.379 ( -0.396 -0.396 -0.951) 1.103 23.753 ( -4.129 -4.129 1.404) 6.006 23.763 ( -3.847 -3.847 0.908) 5.515 24.918 ( 8.635 8.635 4.855) 13.141 25.289 ( 3.348 3.348 6.598) 8.121 25.605 ( 7.450 7.450 -1.084) 10.591 26.558 ( -9.069 -9.069 -10.980) 16.884 ======================= Grid point 279 (59/105) ======================= q-point: ( 0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( 22.345 10.618 8.705) 26.226 4.463 ( 11.779 20.321 6.874) 24.473 4.831 ( 3.371 0.572 6.166) 7.050 5.098 ( -4.019 4.759 -7.893) 10.055 5.317 ( -11.531 -15.256 -2.349) 19.267 5.611 ( -12.147 8.898 3.403) 15.437 6.363 ( 21.918 -4.170 -7.889) 23.665 6.929 ( -6.450 -2.131 6.810) 9.618 7.307 ( 2.945 7.364 9.005) 12.000 7.516 ( 7.918 0.439 20.435) 21.920 8.058 ( -3.075 -3.433 8.519) 9.686 8.267 ( 0.257 0.238 10.621) 10.626 8.524 ( -3.405 -0.294 14.801) 15.191 8.587 ( -8.852 -7.461 13.846) 18.049 9.005 ( 1.135 -8.072 2.778) 8.612 9.482 ( -5.290 -4.534 11.174) 13.168 9.716 ( -1.967 -5.008 11.501) 12.697 10.119 ( -17.386 -1.177 -7.480) 18.963 10.579 ( 3.770 1.684 2.683) 4.924 10.854 ( -5.820 -7.196 3.157) 9.779 11.150 ( 2.950 -6.318 -0.168) 6.975 11.617 ( -14.355 -7.669 -3.206) 16.587 11.902 ( -0.269 -11.723 -10.618) 15.819 12.000 ( -3.400 -13.307 -5.974) 14.978 13.908 ( 9.433 9.553 -3.993) 14.007 14.216 ( -6.282 9.030 -8.899) 14.148 14.470 ( 5.480 3.892 -17.864) 19.086 14.519 ( 4.768 4.547 -18.650) 19.780 15.272 ( 5.432 3.725 -16.606) 17.865 15.434 ( 1.182 6.148 -17.249) 18.350 15.682 ( 5.917 0.840 -0.505) 5.997 15.897 ( -3.143 -0.436 3.761) 4.921 16.797 ( 5.071 5.575 8.671) 11.488 16.999 ( -2.840 7.097 1.567) 7.803 17.658 ( 5.507 -10.747 -0.161) 12.077 18.042 ( -12.252 -16.082 -10.999) 23.016 19.898 ( 9.848 14.837 4.689) 18.415 19.990 ( 7.551 14.369 9.279) 18.697 20.936 ( 6.158 9.904 8.232) 14.275 21.170 ( -2.790 7.515 7.160) 10.748 23.303 ( 1.573 0.410 1.792) 2.419 23.367 ( -0.999 0.515 -0.234) 1.148 23.685 ( -2.255 -5.519 1.163) 6.075 23.703 ( -2.534 -5.051 0.780) 5.705 25.085 ( 8.310 7.595 5.562) 12.556 25.305 ( -1.805 3.815 7.968) 9.016 25.806 ( 12.962 4.752 -6.045) 15.071 26.346 ( -12.687 -4.931 -9.692) 16.710 ======================= Grid point 280 (60/105) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.363 ( -17.756 6.696 4.824) 19.580 4.363 ( 17.756 6.696 4.824) 19.580 4.965 ( -10.784 2.545 3.784) 11.709 4.965 ( 10.784 2.545 3.784) 11.709 5.354 ( -14.557 4.745 -0.095) 15.311 5.354 ( 14.557 4.745 -0.095) 15.311 6.723 ( -14.727 -6.853 -6.944) 17.665 6.723 ( 14.727 -6.853 -6.944) 17.665 7.475 ( -10.567 8.584 18.053) 22.610 7.475 ( 10.567 8.584 18.053) 22.610 8.146 ( -10.317 -5.411 12.263) 16.915 8.146 ( 10.317 -5.411 12.263) 16.915 8.475 ( -2.742 -3.569 12.483) 13.270 8.475 ( 2.742 -3.569 12.483) 13.270 9.236 ( -17.585 -6.784 6.957) 20.091 9.236 ( 17.585 -6.784 6.957) 20.091 9.817 ( -11.398 1.113 2.866) 11.805 9.817 ( 11.398 1.113 2.866) 11.805 10.705 ( -8.149 -2.547 4.040) 9.445 10.705 ( 8.149 -2.547 4.040) 9.445 11.325 ( -13.590 -9.034 -1.790) 16.417 11.325 ( 13.590 -9.034 -1.790) 16.417 11.945 ( -3.139 -12.069 -8.606) 15.152 11.945 ( 3.139 -12.069 -8.606) 15.152 14.077 ( -7.956 9.225 -6.064) 13.607 14.077 ( 7.956 9.225 -6.064) 13.607 14.545 ( -1.755 4.519 -18.435) 19.061 14.545 ( 1.755 4.519 -18.435) 19.061 15.382 ( -5.188 4.140 -15.488) 16.851 15.382 ( 5.188 4.140 -15.488) 16.851 15.810 ( -5.979 0.640 0.151) 6.015 15.810 ( 5.979 0.640 0.151) 6.015 16.905 ( -5.842 6.623 5.282) 10.291 16.905 ( 5.842 6.623 5.282) 10.291 17.821 ( -10.439 -14.878 -7.217) 19.555 17.821 ( 10.439 -14.878 -7.217) 19.555 20.032 ( -3.149 15.690 8.544) 18.141 20.032 ( 3.149 15.690 8.544) 18.141 21.066 ( -6.975 8.905 7.096) 13.353 21.066 ( 6.975 8.905 7.096) 13.353 23.338 ( -1.828 0.809 0.982) 2.227 23.338 ( 1.828 0.809 0.982) 2.227 23.670 ( -0.635 -5.865 0.769) 5.949 23.670 ( 0.635 -5.865 0.769) 5.949 25.226 ( -5.990 6.052 6.784) 10.887 25.226 ( 5.990 6.052 6.784) 10.887 26.079 ( -14.502 -0.250 -8.140) 16.632 26.079 ( 14.502 -0.250 -8.140) 16.632 ======================= Grid point 290 (61/105) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.191 ( 13.670 13.670 4.040) 19.749 4.635 ( -2.473 -2.473 -5.745) 6.726 4.896 ( -0.822 -0.822 10.466) 10.531 4.971 ( -10.508 -10.508 -2.211) 15.024 5.288 ( 14.754 14.754 -6.028) 21.718 5.807 ( 6.023 6.023 3.909) 9.372 6.346 ( 2.204 2.204 -1.651) 3.527 6.779 ( -11.451 -11.451 3.309) 16.529 7.486 ( 9.907 9.907 16.731) 21.822 7.634 ( 10.334 10.334 13.239) 19.720 7.995 ( -0.343 -0.343 10.283) 10.295 8.221 ( -3.681 -3.681 16.060) 16.882 8.371 ( -9.819 -9.819 11.544) 18.058 8.741 ( 1.534 1.534 12.816) 12.999 8.770 ( -2.910 -2.910 7.597) 8.640 9.340 ( -10.355 -10.355 13.816) 20.133 9.638 ( 0.098 0.098 6.491) 6.492 9.989 ( -11.107 -11.107 -2.618) 15.925 10.617 ( 1.815 1.815 -0.202) 2.574 10.750 ( -4.153 -4.153 2.086) 6.233 11.115 ( 3.601 3.601 -0.592) 5.127 11.543 ( -8.617 -8.617 -3.183) 12.595 11.629 ( -4.589 -4.589 -8.255) 10.500 11.848 ( -6.466 -6.466 -7.204) 11.641 14.090 ( 9.043 9.043 -5.264) 13.829 14.351 ( 1.279 1.279 -9.112) 9.290 14.454 ( 1.069 1.069 -13.968) 14.050 14.595 ( 0.738 0.738 -17.457) 17.488 15.373 ( 6.592 6.592 -14.959) 17.627 15.550 ( 2.751 2.751 -9.303) 10.084 15.702 ( 2.874 2.874 -6.620) 7.768 15.872 ( -2.354 -2.354 2.137) 3.956 16.908 ( 6.031 6.031 3.965) 9.406 17.093 ( 1.159 1.159 -2.659) 3.124 17.512 ( -2.840 -2.840 -4.975) 6.394 17.769 ( -12.232 -12.232 -11.715) 20.892 20.162 ( 11.819 11.819 10.099) 19.528 20.243 ( 9.929 9.929 14.767) 20.377 21.063 ( 4.429 4.429 6.375) 8.937 21.226 ( -1.399 -1.399 6.710) 6.996 23.329 ( 2.105 2.105 1.678) 3.417 23.381 ( 0.629 0.629 0.024) 0.890 23.589 ( -3.768 -3.768 1.368) 5.501 23.615 ( -3.955 -3.955 0.653) 5.632 25.232 ( 7.106 7.106 4.905) 11.183 25.363 ( 1.437 1.437 6.088) 6.418 25.913 ( 6.548 6.548 -7.000) 11.608 26.223 ( -7.667 -7.667 -8.870) 14.009 ======================= Grid point 291 (62/105) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.464 ( -13.549 4.224 0.180) 14.194 4.464 ( 13.549 4.224 0.180) 14.194 4.855 ( -2.932 -8.780 -3.497) 9.895 4.855 ( 2.932 -8.780 -3.497) 9.895 5.667 ( -18.332 22.383 4.815) 29.330 5.667 ( 18.332 22.383 4.815) 29.330 6.520 ( -14.055 -15.106 2.186) 20.748 6.520 ( 14.055 -15.106 2.186) 20.748 7.685 ( -7.535 13.216 13.976) 20.659 7.685 ( 7.535 13.216 13.976) 20.659 8.093 ( -10.152 -1.720 12.364) 16.090 8.093 ( 10.152 -1.720 12.364) 16.090 8.395 ( -14.889 -4.168 11.647) 19.357 8.395 ( 14.889 -4.168 11.647) 19.357 9.083 ( -15.892 -8.064 11.596) 21.262 9.083 ( 15.892 -8.064 11.596) 21.262 9.755 ( -10.868 -5.662 2.959) 12.606 9.755 ( 10.868 -5.662 2.959) 12.606 10.671 ( -3.779 -1.036 0.652) 3.972 10.671 ( 3.779 -1.036 0.652) 3.972 11.281 ( -12.494 3.683 -2.615) 13.285 11.281 ( 12.494 3.683 -2.615) 13.285 11.716 ( -6.952 -11.343 -6.918) 14.995 11.716 ( 6.952 -11.343 -6.918) 14.995 14.253 ( -7.683 8.729 -7.339) 13.751 14.253 ( 7.683 8.729 -7.339) 13.751 14.548 ( -4.936 -3.421 -14.986) 16.144 14.548 ( 4.936 -3.421 -14.986) 16.144 15.503 ( -5.837 7.208 -10.417) 13.948 15.503 ( 5.837 7.208 -10.417) 13.948 15.799 ( -5.203 -1.761 -3.154) 6.334 15.799 ( 5.203 -1.761 -3.154) 6.334 17.030 ( -6.089 6.095 -0.814) 8.654 17.030 ( 6.089 6.095 -0.814) 8.654 17.571 ( -7.746 -10.561 -9.792) 16.353 17.571 ( 7.746 -10.561 -9.792) 16.353 20.316 ( -2.844 12.380 15.071) 19.711 20.316 ( 2.844 12.380 15.071) 19.711 21.151 ( -5.012 0.704 5.396) 7.398 21.151 ( 5.012 0.704 5.396) 7.398 23.372 ( -1.783 2.520 1.125) 3.285 23.372 ( 1.783 2.520 1.125) 3.285 23.561 ( -1.062 -5.153 0.776) 5.318 23.561 ( 1.062 -5.153 0.776) 5.318 25.341 ( -3.730 5.125 5.034) 8.094 25.341 ( 3.730 5.125 5.034) 8.094 26.062 ( -8.509 -1.274 -7.924) 11.697 26.062 ( 8.509 -1.274 -7.924) 11.697 ======================= Grid point 307 (63/105) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.518 ( -0.000 -0.000 -1.860) 1.860 4.518 ( 0.000 0.000 -1.860) 1.860 4.746 ( -0.000 -0.000 -5.028) 5.028 4.746 ( 0.000 0.000 -5.028) 5.028 6.054 ( -0.000 -0.000 4.383) 4.383 6.054 ( 0.000 0.000 4.383) 4.383 6.207 ( 0.000 0.000 7.971) 7.971 6.207 ( 0.000 0.000 7.971) 7.971 7.948 ( -0.000 -0.000 20.163) 20.163 7.948 ( 0.000 0.000 20.163) 20.163 7.966 ( -0.000 -0.000 4.999) 4.999 7.966 ( 0.000 0.000 4.999) 4.999 8.360 ( 0.000 0.000 8.267) 8.267 8.360 ( 0.000 0.000 8.267) 8.267 8.987 ( -0.000 -0.000 14.691) 14.691 8.987 ( 0.000 0.000 14.691) 14.691 9.686 ( 0.000 0.000 3.100) 3.100 9.686 ( 0.000 0.000 3.100) 3.100 10.661 ( 0.000 0.000 -0.778) 0.778 10.661 ( 0.000 0.000 -0.778) 0.778 11.369 ( -0.000 -0.000 -2.383) 2.383 11.369 ( 0.000 0.000 -2.383) 2.383 11.562 ( -0.000 -0.000 -6.375) 6.375 11.562 ( 0.000 0.000 -6.375) 6.375 14.377 ( 0.000 0.000 -7.264) 7.264 14.377 ( 0.000 0.000 -7.264) 7.264 14.472 ( -0.000 -0.000 -14.341) 14.341 14.472 ( 0.000 0.000 -14.341) 14.341 15.594 ( 0.000 0.000 -4.945) 4.945 15.594 ( 0.000 0.000 -4.945) 4.945 15.766 ( -0.000 -0.000 -7.448) 7.448 15.766 ( 0.000 0.000 -7.448) 7.448 17.105 ( -0.000 -0.000 -4.066) 4.066 17.105 ( 0.000 0.000 -4.066) 4.066 17.452 ( -0.000 -0.000 -10.030) 10.030 17.452 ( 0.000 0.000 -10.030) 10.030 20.450 ( -0.000 -0.000 18.925) 18.925 20.450 ( 0.000 0.000 18.925) 18.925 21.145 ( 0.000 0.000 3.197) 3.197 21.145 ( 0.000 0.000 3.197) 3.197 23.413 ( -0.000 -0.000 1.670) 1.670 23.413 ( 0.000 0.000 1.670) 1.670 23.495 ( -0.000 -0.000 0.284) 0.284 23.495 ( 0.000 0.000 0.284) 0.284 25.396 ( 0.000 0.000 4.440) 4.440 25.396 ( 0.000 0.000 4.440) 4.440 26.046 ( 0.000 0.000 -7.858) 7.858 26.046 ( 0.000 0.000 -7.858) 7.858 ======================= Grid point 363 (64/105) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 0.000 0.000 44.746) 44.746 2.960 ( -0.000 -0.000 50.899) 50.899 4.204 ( 0.000 0.000 -13.689) 13.689 4.443 ( 0.000 0.000 48.277) 48.277 5.096 ( -0.000 -0.000 -39.479) 39.479 5.645 ( 0.000 0.000 7.465) 7.465 5.947 ( -0.000 -0.000 -5.669) 5.669 6.820 ( 0.000 0.000 -26.521) 26.521 7.892 ( -0.000 -0.000 28.086) 28.086 8.071 ( 0.000 0.000 7.013) 7.013 8.463 ( 0.000 0.000 -3.850) 3.850 9.140 ( -0.000 -0.000 1.028) 1.028 9.262 ( 0.000 0.000 6.191) 6.191 9.451 ( 0.000 0.000 -1.858) 1.858 9.878 ( 0.000 0.000 -8.170) 8.170 9.958 ( -0.000 -0.000 5.074) 5.074 10.050 ( 0.000 0.000 13.280) 13.280 10.097 ( 0.000 0.000 -8.290) 8.290 10.831 ( -0.000 -0.000 7.759) 7.759 11.477 ( -0.000 -0.000 -19.990) 19.990 11.829 ( 0.000 0.000 34.147) 34.147 11.842 ( -0.000 -0.000 12.696) 12.696 12.402 ( 0.000 0.000 -18.933) 18.933 13.118 ( -0.000 -0.000 -2.714) 2.714 13.207 ( 0.000 0.000 -28.898) 28.898 13.344 ( 0.000 0.000 -13.645) 13.645 13.899 ( 0.000 0.000 -1.219) 1.219 14.167 ( -0.000 -0.000 -12.703) 12.703 14.384 ( 0.000 0.000 -5.024) 5.024 14.539 ( -0.000 -0.000 -6.924) 6.924 15.398 ( 0.000 0.000 18.628) 18.628 16.032 ( -0.000 -0.000 -9.221) 9.221 16.870 ( -0.000 -0.000 7.032) 7.032 16.892 ( 0.000 0.000 7.177) 7.177 17.046 ( 0.000 0.000 22.870) 22.870 17.802 ( 0.000 0.000 -13.986) 13.986 19.469 ( -0.000 -0.000 -2.644) 2.644 19.552 ( -0.000 -0.000 -5.076) 5.076 20.338 ( -0.000 -0.000 2.168) 2.168 20.397 ( -0.000 -0.000 0.247) 0.247 23.414 ( 0.000 0.000 0.238) 0.238 23.508 ( -0.000 -0.000 -4.533) 4.533 24.110 ( 0.000 0.000 0.931) 0.931 24.128 ( -0.000 -0.000 -0.179) 0.179 24.293 ( 0.000 0.000 6.037) 6.037 24.515 ( 0.000 0.000 -4.954) 4.954 26.032 ( -0.000 -0.000 21.545) 21.545 26.791 ( 0.000 0.000 -15.319) 15.319 ======================= Grid point 364 (65/105) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 0.676 0.000 43.561) 43.566 3.008 ( 10.371 0.000 46.178) 47.329 4.281 ( 7.313 0.000 -16.325) 17.888 4.658 ( 14.865 0.000 20.805) 25.570 4.957 ( -8.905 0.000 -5.886) 10.674 5.552 ( 2.656 0.000 -0.454) 2.694 6.203 ( 14.234 0.000 -0.549) 14.245 6.824 ( 0.611 0.000 -28.515) 28.521 7.861 ( -2.482 0.000 28.576) 28.684 8.164 ( 7.686 0.000 9.983) 12.599 8.433 ( -4.889 0.000 -4.539) 6.672 9.012 ( -9.725 0.000 1.673) 9.868 9.287 ( -2.046 0.000 8.766) 9.001 9.446 ( -0.427 0.000 -2.592) 2.627 9.650 ( -15.411 0.000 -4.680) 16.106 9.800 ( -6.767 0.000 3.990) 7.856 10.054 ( -9.976 0.000 -2.007) 10.176 10.196 ( 3.901 0.000 5.505) 6.747 10.880 ( 8.092 0.000 -2.073) 8.353 11.328 ( -10.587 0.000 -21.270) 23.759 11.753 ( -6.392 0.000 29.695) 30.375 11.904 ( 3.926 0.000 19.882) 20.266 12.546 ( 9.816 0.000 -18.340) 20.802 13.021 ( -11.642 0.000 -9.091) 14.771 13.178 ( -1.038 0.000 -18.716) 18.745 13.335 ( 0.826 0.000 -15.955) 15.976 13.916 ( 2.094 0.000 -4.908) 5.336 14.096 ( -9.196 0.000 -13.782) 16.568 14.464 ( 9.350 0.000 -2.884) 9.784 14.592 ( 5.477 0.000 -5.705) 7.909 15.455 ( 4.994 0.000 16.959) 17.679 16.044 ( 0.420 0.000 -8.314) 8.325 16.663 ( -8.664 0.000 13.469) 16.015 16.816 ( -4.423 0.000 4.843) 6.559 17.404 ( 22.488 0.000 15.051) 27.060 17.970 ( 15.597 0.000 -11.721) 19.511 19.419 ( -4.551 0.000 -2.750) 5.317 19.507 ( -3.928 0.000 -5.672) 6.900 20.332 ( 0.612 0.000 6.074) 6.105 20.490 ( 6.510 0.000 -1.534) 6.688 23.412 ( -0.184 0.000 0.115) 0.216 23.484 ( -2.236 0.000 -3.252) 3.946 24.058 ( -4.482 0.000 2.371) 5.070 24.108 ( -2.178 0.000 -0.488) 2.232 24.352 ( 5.875 0.000 5.532) 8.070 24.566 ( 5.362 0.000 -4.898) 7.262 26.003 ( -2.940 0.000 21.445) 21.646 26.774 ( -2.125 0.000 -16.191) 16.329 ======================= Grid point 365 (66/105) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 10.321 0.000 34.439) 35.952 3.353 ( 22.826 0.000 37.296) 43.727 4.349 ( -8.103 0.000 -35.182) 36.104 4.635 ( 5.143 0.000 -8.962) 10.332 5.305 ( 30.785 0.000 41.680) 51.816 5.765 ( 17.502 0.000 -2.255) 17.646 6.374 ( 3.880 0.000 7.907) 8.808 6.836 ( 0.089 0.000 -27.603) 27.604 7.781 ( -6.831 0.000 17.764) 19.032 8.142 ( -24.278 0.000 -2.606) 24.418 8.328 ( 5.598 0.000 22.052) 22.751 8.847 ( -6.226 0.000 5.207) 8.116 9.139 ( -9.596 0.000 6.747) 11.731 9.405 ( -5.901 0.000 -0.179) 5.904 9.445 ( -6.722 0.000 -0.507) 6.741 9.690 ( -11.111 0.000 7.957) 13.667 9.821 ( -1.695 0.000 -15.124) 15.218 10.118 ( -13.111 0.000 -5.008) 14.035 11.090 ( 13.576 0.000 -8.139) 15.829 11.300 ( 6.691 0.000 -11.363) 13.186 11.552 ( -13.853 0.000 24.735) 28.350 11.895 ( -7.386 0.000 19.012) 20.396 12.581 ( -9.594 0.000 -14.119) 17.070 12.856 ( 2.163 0.000 -11.166) 11.374 13.197 ( 1.839 0.000 -12.846) 12.977 13.366 ( 1.307 0.000 -17.869) 17.917 13.872 ( -10.607 0.000 -9.375) 14.156 13.958 ( 0.632 0.000 -11.743) 11.760 14.677 ( 11.385 0.000 -0.757) 11.410 14.756 ( 10.871 0.000 -6.215) 12.522 15.552 ( 4.315 0.000 12.976) 13.675 16.021 ( -2.813 0.000 -5.688) 6.345 16.621 ( 2.992 0.000 10.049) 10.485 16.759 ( -0.559 0.000 3.632) 3.675 17.823 ( 20.283 0.000 14.513) 24.941 18.330 ( 19.887 0.000 -10.000) 22.259 19.330 ( -3.555 0.000 -2.534) 4.366 19.432 ( -3.230 0.000 -6.767) 7.498 20.327 ( -2.129 0.000 10.506) 10.720 20.592 ( 3.224 0.000 -2.555) 4.114 23.405 ( -0.557 0.000 0.152) 0.578 23.438 ( -1.994 0.000 -0.772) 2.139 23.968 ( -4.184 0.000 3.064) 5.186 24.051 ( -3.477 0.000 -1.057) 3.634 24.513 ( 10.509 0.000 5.371) 11.802 24.730 ( 11.798 0.000 -4.971) 12.803 25.920 ( -5.722 0.000 20.645) 21.423 26.689 ( -7.057 0.000 -16.737) 18.164 ======================= Grid point 366 (67/105) ======================= q-point: ( 0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 22.957 0.000 21.179) 31.234 3.823 ( 24.054 0.000 28.026) 36.933 4.189 ( -2.623 0.000 -22.750) 22.901 4.838 ( 9.743 0.000 -11.245) 14.879 5.913 ( 30.789 0.000 30.140) 43.085 6.091 ( 6.448 0.000 13.217) 14.706 6.487 ( 17.535 0.000 8.825) 19.631 6.828 ( -0.293 0.000 -23.300) 23.302 7.459 ( -32.370 0.000 5.254) 32.793 7.661 ( -14.376 0.000 -2.914) 14.668 8.331 ( -8.462 0.000 27.808) 29.067 8.770 ( -1.990 0.000 4.019) 4.485 9.001 ( -5.145 0.000 3.572) 6.264 9.200 ( -17.695 0.000 -3.102) 17.965 9.283 ( -5.715 0.000 -0.500) 5.736 9.560 ( -4.049 0.000 -4.038) 5.718 9.752 ( -7.206 0.000 -0.042) 7.206 9.973 ( 2.907 0.000 -4.403) 5.276 11.147 ( -19.269 0.000 19.645) 27.517 11.422 ( 18.415 0.000 -4.222) 18.893 11.451 ( -8.321 0.000 1.363) 8.432 11.705 ( 0.443 0.000 -2.188) 2.232 12.404 ( -7.074 0.000 -0.770) 7.116 12.919 ( -1.999 0.000 -18.580) 18.688 13.207 ( 0.860 0.000 -6.669) 6.724 13.388 ( 2.000 0.000 -18.242) 18.351 13.736 ( -2.743 0.000 -5.332) 5.996 13.953 ( -1.505 0.000 -11.064) 11.166 14.891 ( 10.467 0.000 -3.532) 11.047 14.964 ( 9.570 0.000 -6.889) 11.792 15.618 ( 2.850 0.000 8.261) 8.739 15.946 ( -4.681 0.000 -4.421) 6.438 16.706 ( 4.686 0.000 8.337) 9.563 16.804 ( 4.378 0.000 4.504) 6.281 18.183 ( 17.025 0.000 14.111) 22.113 18.671 ( 13.487 0.000 -10.511) 17.099 19.309 ( 1.288 0.000 -2.402) 2.726 19.401 ( 0.748 0.000 -5.147) 5.201 20.242 ( -5.921 0.000 12.851) 14.150 20.595 ( -3.179 0.000 -4.150) 5.228 23.392 ( -0.593 0.000 1.129) 1.275 23.415 ( -0.688 0.000 0.223) 0.723 23.905 ( -2.337 0.000 1.985) 3.067 23.981 ( -3.529 0.000 -1.401) 3.797 24.747 ( 13.458 0.000 6.901) 15.124 25.019 ( 17.660 0.000 -5.647) 18.541 25.782 ( -8.455 0.000 18.499) 20.340 26.497 ( -12.741 0.000 -15.624) 20.160 ======================= Grid point 367 (68/105) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( 25.511 0.000 13.037) 28.649 4.160 ( 7.664 0.000 5.858) 9.646 4.333 ( 16.739 0.000 2.036) 16.863 4.902 ( -4.537 0.000 -7.839) 9.058 6.007 ( -4.568 0.000 25.402) 25.810 6.480 ( 22.573 0.000 22.841) 32.113 6.655 ( -22.834 0.000 3.436) 23.091 6.978 ( 6.313 0.000 -6.703) 9.208 7.121 ( 27.596 0.000 -4.964) 28.038 7.462 ( -4.120 0.000 -8.999) 9.897 8.006 ( -22.775 0.000 12.734) 26.094 8.599 ( -28.188 0.000 -13.826) 31.396 8.820 ( -2.631 0.000 5.496) 6.093 8.965 ( -5.614 0.000 3.560) 6.648 9.247 ( 2.139 0.000 2.973) 3.663 9.462 ( -6.260 0.000 -3.993) 7.425 9.752 ( 6.813 0.000 14.244) 15.790 10.039 ( 0.513 0.000 8.325) 8.341 10.832 ( -9.948 0.000 13.473) 16.748 11.107 ( -18.412 0.000 5.879) 19.328 11.796 ( 17.461 0.000 -2.880) 17.697 11.912 ( 14.931 0.000 -11.957) 19.128 12.274 ( -6.686 0.000 1.386) 6.828 12.698 ( -17.667 0.000 -15.508) 23.508 13.305 ( 6.991 0.000 -9.522) 11.813 13.430 ( 1.340 0.000 -18.029) 18.079 13.738 ( 2.252 0.000 -3.124) 3.851 13.898 ( -4.024 0.000 -7.057) 8.124 15.063 ( 6.840 0.000 -7.248) 9.966 15.105 ( 4.767 0.000 -7.798) 9.140 15.674 ( 3.201 0.000 4.080) 5.186 15.848 ( -5.306 0.000 -2.962) 6.076 16.796 ( 4.520 0.000 8.923) 10.002 16.873 ( 1.842 0.000 6.212) 6.479 18.486 ( 14.180 0.000 7.957) 16.259 18.806 ( 0.495 0.000 -10.241) 10.253 19.352 ( 3.289 0.000 0.986) 3.433 19.460 ( 2.807 0.000 2.406) 3.697 20.162 ( -0.021 0.000 7.412) 7.412 20.472 ( -9.097 0.000 -5.177) 10.468 23.388 ( 0.138 0.000 1.510) 1.517 23.403 ( -0.536 0.000 0.722) 0.899 23.877 ( -0.542 0.000 0.587) 0.799 23.920 ( -2.624 0.000 -1.220) 2.894 25.023 ( 14.676 0.000 9.947) 17.729 25.371 ( 14.985 0.000 -2.390) 15.174 25.613 ( -5.836 0.000 10.555) 12.061 26.203 ( -17.360 0.000 -13.497) 21.989 ======================= Grid point 368 (69/105) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.105 ( -14.223 0.000 8.833) 16.742 4.105 ( 14.223 0.000 8.833) 16.742 4.675 ( -16.844 0.000 -0.729) 16.860 4.675 ( 16.844 0.000 -0.729) 16.860 6.133 ( -18.591 0.000 18.715) 26.379 6.133 ( 18.591 0.000 18.715) 26.379 6.907 ( -13.425 0.000 3.731) 13.934 6.907 ( 13.425 0.000 3.731) 13.934 7.547 ( -21.262 0.000 -1.155) 21.293 7.547 ( 21.262 0.000 -1.155) 21.293 7.912 ( -38.445 0.000 -10.532) 39.862 7.912 ( 38.445 0.000 -10.532) 39.862 8.861 ( -4.572 0.000 3.848) 5.976 8.861 ( 4.572 0.000 3.848) 5.976 9.335 ( -6.191 0.000 -0.919) 6.259 9.335 ( 6.191 0.000 -0.919) 6.259 9.936 ( -9.844 0.000 18.822) 21.241 9.936 ( 9.844 0.000 18.822) 21.241 10.830 ( -8.859 0.000 5.865) 10.625 10.830 ( 8.859 0.000 5.865) 10.625 12.048 ( -8.231 0.000 -2.896) 8.725 12.048 ( 8.231 0.000 -2.896) 8.725 12.329 ( -18.000 0.000 -10.529) 20.853 12.329 ( 18.000 0.000 -10.529) 20.853 13.412 ( -3.433 0.000 -15.233) 15.616 13.412 ( 3.433 0.000 -15.233) 15.616 13.809 ( -4.672 0.000 -3.510) 5.844 13.809 ( 4.672 0.000 -3.510) 5.844 15.142 ( -1.081 0.000 -8.453) 8.522 15.142 ( 1.081 0.000 -8.453) 8.522 15.749 ( -4.608 0.000 0.149) 4.611 15.749 ( 4.608 0.000 0.149) 4.611 16.867 ( -2.336 0.000 8.268) 8.592 16.867 ( 2.336 0.000 8.268) 8.592 18.716 ( -8.980 0.000 -3.322) 9.575 18.716 ( 8.980 0.000 -3.322) 9.575 19.436 ( -4.405 0.000 6.967) 8.243 19.436 ( 4.405 0.000 6.967) 8.243 20.274 ( -9.981 0.000 -2.582) 10.309 20.274 ( 9.981 0.000 -2.582) 10.309 23.394 ( -0.445 0.000 1.224) 1.303 23.394 ( 0.445 0.000 1.224) 1.303 23.883 ( -1.152 0.000 -0.528) 1.267 23.883 ( 1.152 0.000 -0.528) 1.267 25.298 ( -13.107 0.000 13.231) 18.624 25.298 ( 13.107 0.000 13.231) 18.624 25.840 ( -19.484 0.000 -10.791) 22.273 25.840 ( 19.484 0.000 -10.791) 22.273 ======================= Grid point 375 (70/105) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 7.405 7.405 40.106) 41.451 3.006 ( 5.802 5.802 44.364) 45.117 4.342 ( 6.033 6.033 -17.839) 19.774 4.764 ( 2.916 2.916 -21.744) 22.132 5.024 ( 8.813 8.813 27.486) 30.180 5.363 ( -6.308 -6.308 7.248) 11.495 6.416 ( 12.953 12.953 0.171) 18.320 6.839 ( 2.473 2.473 -26.261) 26.493 7.873 ( 0.086 0.086 29.531) 29.531 8.168 ( -0.135 -0.135 13.330) 13.332 8.403 ( -4.660 -4.660 -5.934) 8.868 8.896 ( -8.941 -8.941 3.250) 13.056 9.288 ( -3.178 -3.178 6.992) 8.312 9.445 ( -0.302 -0.302 -1.355) 1.421 9.467 ( -11.489 -11.489 -5.662) 17.206 9.731 ( -8.959 -8.959 -5.628) 13.864 9.969 ( -2.319 -2.319 14.091) 14.467 10.363 ( 5.990 5.990 -2.167) 8.745 10.905 ( 4.040 4.040 -5.418) 7.874 11.208 ( -7.864 -7.864 -20.325) 23.169 11.715 ( -5.392 -5.392 29.894) 30.851 11.903 ( 0.221 0.221 19.135) 19.137 12.595 ( 1.359 1.359 -19.338) 19.433 12.958 ( -7.758 -7.758 -11.089) 15.600 13.135 ( -0.946 -0.946 -13.628) 13.693 13.366 ( 3.237 3.237 -18.307) 18.871 13.910 ( 0.776 0.776 -5.734) 5.838 14.128 ( -2.138 -2.138 -16.073) 16.355 14.450 ( 3.399 3.399 0.761) 4.866 14.640 ( 4.438 4.438 -6.070) 8.732 15.504 ( 4.235 4.235 15.515) 16.631 16.051 ( 0.198 0.198 -7.466) 7.471 16.604 ( -2.662 -2.662 13.317) 13.839 16.807 ( -1.286 -1.286 2.884) 3.409 17.568 ( 14.392 14.392 14.868) 25.205 18.103 ( 12.532 12.532 -10.806) 20.758 19.361 ( -5.101 -5.101 -2.715) 7.707 19.452 ( -4.401 -4.401 -5.779) 8.493 20.382 ( 4.444 4.444 7.506) 9.789 20.576 ( 7.206 7.206 -1.633) 10.321 23.408 ( -0.366 -0.366 -0.049) 0.520 23.459 ( -2.301 -2.301 -2.143) 3.896 24.025 ( -3.182 -3.182 2.609) 5.202 24.078 ( -2.678 -2.678 -0.323) 3.802 24.405 ( 5.449 5.449 5.343) 9.378 24.618 ( 5.420 5.420 -4.913) 9.105 25.977 ( -2.687 -2.687 21.243) 21.581 26.754 ( -2.403 -2.403 -16.714) 17.055 ======================= Grid point 376 (71/105) ======================= q-point: ( 0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 10.139 14.793 32.610) 37.217 3.342 ( 23.401 0.076 35.984) 42.923 4.407 ( -5.496 5.742 -32.209) 33.176 4.701 ( 3.421 6.740 -15.572) 17.310 5.299 ( 16.040 -8.921 16.731) 24.835 5.564 ( 23.004 -3.987 18.995) 30.098 6.552 ( 1.894 9.512 3.659) 10.366 6.940 ( 6.911 10.681 -15.918) 20.377 7.761 ( -14.040 -3.253 15.035) 20.827 8.075 ( -18.856 -6.993 10.318) 22.603 8.254 ( -0.702 -7.402 14.149) 15.983 8.786 ( -1.683 -2.639 4.317) 5.332 9.157 ( -6.212 -2.536 0.385) 6.721 9.269 ( -11.443 -13.365 -6.272) 18.679 9.405 ( -5.724 -0.043 4.885) 7.526 9.612 ( -2.693 -2.430 3.995) 5.397 9.892 ( -2.554 5.476 0.356) 6.052 10.314 ( -12.082 12.480 -9.174) 19.644 11.004 ( 8.881 -7.906 -5.861) 13.256 11.245 ( 9.201 -3.982 -11.159) 15.001 11.521 ( -13.890 -3.793 23.771) 27.792 11.863 ( -6.467 -2.232 17.052) 18.374 12.459 ( -13.260 -12.424 -14.050) 22.969 12.842 ( -2.843 -3.892 -18.328) 18.951 13.176 ( 4.286 0.870 -6.294) 7.665 13.450 ( 4.788 7.536 -17.961) 20.057 13.918 ( -2.224 3.114 -8.855) 9.647 14.007 ( -5.449 4.966 -12.023) 14.104 14.625 ( 12.015 -3.258 -1.248) 12.512 14.765 ( 8.309 0.917 -6.639) 10.675 15.586 ( 3.690 3.041 12.082) 12.994 16.029 ( -2.556 0.482 -5.244) 5.854 16.626 ( 4.447 1.397 10.156) 11.175 16.794 ( 0.724 2.780 2.095) 3.555 17.866 ( 14.872 3.855 15.067) 21.519 18.388 ( 14.923 4.826 -10.501) 18.875 19.272 ( -2.717 -4.400 -1.691) 5.440 19.384 ( -1.701 -2.673 -6.183) 6.947 20.455 ( 1.963 10.949 9.905) 14.894 20.705 ( 4.956 10.091 -1.790) 11.384 23.397 ( -0.993 -0.830 0.007) 1.294 23.415 ( -1.592 -2.137 -0.287) 2.680 23.952 ( -3.857 -1.673 2.632) 4.960 24.017 ( -3.452 -3.223 -0.587) 4.759 24.557 ( 9.978 4.510 5.390) 12.204 24.779 ( 11.368 5.018 -5.090) 13.428 25.900 ( -5.260 -1.985 20.268) 21.033 26.666 ( -6.975 -2.502 -16.880) 18.435 ======================= Grid point 377 (72/105) ======================= q-point: ( 0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( 21.757 13.059 20.663) 32.724 3.821 ( 24.335 0.527 27.544) 36.758 4.278 ( -1.877 9.067 -22.047) 23.912 4.873 ( 8.575 3.268 -14.061) 16.791 5.608 ( 14.110 -18.885 12.075) 26.487 6.057 ( 24.651 -11.723 8.794) 28.678 6.558 ( 0.555 11.522 15.161) 19.051 7.090 ( 8.705 15.134 -5.139) 18.200 7.336 ( -26.906 -8.755 5.312) 28.789 7.618 ( -20.825 -3.276 -5.461) 21.777 8.280 ( -2.915 -4.648 26.888) 27.442 8.779 ( -0.274 0.971 4.864) 4.967 9.001 ( -13.773 -13.696 -1.581) 19.488 9.070 ( -4.680 3.575 -0.437) 5.905 9.271 ( -5.948 -1.625 6.366) 8.862 9.604 ( -0.195 2.607 1.599) 3.064 9.845 ( -6.322 7.341 -2.811) 10.088 10.067 ( -6.515 8.856 -6.392) 12.717 11.095 ( -14.511 -7.199 18.391) 24.507 11.310 ( 10.414 -8.585 -0.680) 13.513 11.415 ( -3.575 -4.004 -1.194) 5.499 11.692 ( -1.704 -0.810 -2.794) 3.371 12.260 ( -6.801 -13.614 -2.663) 15.449 12.745 ( -8.802 -15.029 -19.646) 26.255 13.294 ( 7.742 7.692 -2.971) 11.311 13.533 ( 3.691 11.993 -16.961) 21.098 13.826 ( -3.927 8.169 -7.164) 11.553 13.975 ( -0.932 2.621 -11.210) 11.550 14.852 ( 10.739 -3.246 -4.575) 12.116 14.940 ( 8.937 -1.989 -7.951) 12.127 15.642 ( 2.343 2.123 7.960) 8.565 15.960 ( -4.472 1.150 -4.151) 6.209 16.728 ( 5.339 2.446 8.540) 10.365 16.847 ( 4.173 3.716 3.411) 6.547 18.117 ( 11.025 -6.494 13.450) 18.564 18.599 ( 5.397 -8.536 -11.548) 15.341 19.292 ( 4.806 1.789 0.377) 5.142 19.417 ( 5.480 3.463 -4.478) 7.879 20.445 ( -2.463 17.165 10.913) 20.489 20.741 ( -1.469 13.363 -2.719) 13.716 23.376 ( -0.624 -1.499 1.254) 2.051 23.400 ( -0.398 -1.290 -0.006) 1.350 23.888 ( -2.574 -1.694 1.750) 3.544 23.949 ( -3.400 -3.136 -0.934) 4.719 24.781 ( 12.898 3.438 6.850) 15.003 25.055 ( 16.692 3.578 -5.672) 17.989 25.774 ( -7.719 -0.811 17.906) 19.516 26.480 ( -12.248 -1.829 -15.667) 19.971 ======================= Grid point 378 (73/105) ======================= q-point: ( 0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.803 ( 24.462 10.735 12.897) 29.664 4.196 ( 12.230 2.600 11.969) 17.308 4.397 ( 12.563 7.897 -4.277) 15.443 4.919 ( -5.302 1.403 -9.046) 10.579 5.771 ( 4.796 -16.580 18.944) 25.627 6.376 ( -2.718 -20.242 8.801) 22.239 6.574 ( 0.721 -7.248 1.955) 7.541 6.871 ( -4.743 4.376 3.211) 7.209 7.316 ( -0.155 -1.688 -1.030) 1.984 7.504 ( 21.415 15.269 -7.832) 27.442 8.042 ( -19.989 3.572 17.124) 26.562 8.620 ( -21.132 0.515 -7.895) 22.565 8.851 ( 0.543 0.454 8.106) 8.137 8.983 ( -4.440 2.808 5.881) 7.885 9.212 ( 0.851 -4.186 2.776) 5.095 9.495 ( -10.621 4.899 -6.075) 13.180 9.784 ( 4.413 3.129 12.157) 13.307 10.044 ( -1.414 0.598 9.017) 9.147 10.821 ( -8.290 -1.602 12.044) 14.709 11.100 ( -17.145 -0.880 4.220) 17.678 11.644 ( 16.757 -14.144 -1.478) 21.978 11.852 ( 11.590 -5.700 -12.177) 17.752 12.146 ( -5.599 -11.917 -0.550) 13.178 12.500 ( -15.569 -16.759 -14.940) 27.321 13.454 ( 7.952 11.703 -6.461) 15.555 13.588 ( 1.542 14.170 -16.180) 21.563 13.795 ( 0.662 5.678 -5.166) 7.705 13.932 ( -3.578 3.855 -8.671) 10.141 15.026 ( 6.994 -3.276 -7.668) 10.883 15.079 ( 4.784 -2.394 -9.334) 10.758 15.690 ( 2.916 1.390 3.997) 5.139 15.863 ( -5.335 1.417 -2.901) 6.236 16.827 ( 4.753 2.873 8.954) 10.536 16.912 ( 1.675 3.531 5.782) 6.979 18.308 ( 9.154 -15.762 6.294) 19.283 18.600 ( -4.142 -18.602 -9.624) 21.350 19.424 ( 7.864 8.776 3.431) 12.273 19.550 ( 5.513 8.533 0.311) 10.164 20.407 ( 0.264 20.703 6.966) 21.845 20.652 ( -7.351 16.315 -3.177) 18.174 23.374 ( 0.303 -1.254 1.517) 1.991 23.392 ( -0.442 -1.033 0.558) 1.254 23.855 ( -0.834 -2.259 0.589) 2.479 23.891 ( -2.511 -2.955 -0.891) 3.978 25.044 ( 14.014 2.232 9.691) 17.184 25.379 ( 12.579 0.751 -1.205) 12.659 25.629 ( -3.640 1.557 8.787) 9.637 26.198 ( -16.607 -0.543 -13.531) 21.428 ======================= Grid point 379 (74/105) ======================= q-point: (-0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.197 ( -13.023 8.778 9.605) 18.410 4.197 ( 13.023 8.778 9.605) 18.410 4.688 ( -16.089 1.683 -2.376) 16.350 4.688 ( 16.089 1.683 -2.376) 16.350 5.991 ( -19.934 -13.170 19.105) 30.591 5.991 ( 19.934 -13.170 19.105) 30.591 6.768 ( -10.702 -12.482 -11.826) 20.253 6.768 ( 10.702 -12.482 -11.826) 20.253 7.563 ( -22.419 4.823 11.751) 25.767 7.563 ( 22.419 4.823 11.751) 25.767 8.090 ( -30.373 12.397 -7.141) 33.573 8.090 ( 30.373 12.397 -7.141) 33.573 8.897 ( -3.812 2.607 6.923) 8.322 8.897 ( 3.812 2.607 6.923) 8.322 9.307 ( -8.010 -1.998 -2.036) 8.503 9.307 ( 8.010 -1.998 -2.036) 8.503 9.934 ( -8.791 -0.074 17.956) 19.993 9.934 ( 8.791 -0.074 17.956) 19.993 10.836 ( -8.795 0.352 4.550) 9.909 10.836 ( 8.795 0.352 4.550) 9.909 11.915 ( -9.317 -13.300 -2.529) 16.434 11.915 ( 9.317 -13.300 -2.529) 16.434 12.193 ( -14.035 -11.660 -11.162) 21.390 12.193 ( 14.035 -11.660 -11.162) 21.390 13.571 ( -3.608 13.642 -12.263) 18.695 13.571 ( 3.608 13.642 -12.263) 18.695 13.849 ( -4.342 4.389 -5.760) 8.444 13.849 ( 4.342 4.389 -5.760) 8.444 15.111 ( -1.501 -2.793 -9.336) 9.860 15.111 ( 1.501 -2.793 -9.336) 9.860 15.763 ( -4.676 1.272 0.041) 4.846 15.763 ( 4.676 1.272 0.041) 4.846 16.901 ( -2.558 3.215 8.224) 9.193 16.901 ( 2.558 3.215 8.224) 9.193 18.476 ( -8.009 -20.359 -3.140) 22.102 18.476 ( 8.009 -20.359 -3.140) 22.102 19.557 ( -4.553 10.911 4.929) 12.809 19.557 ( 4.553 10.911 4.929) 12.809 20.492 ( -7.797 19.276 -0.415) 20.797 20.492 ( 7.797 19.276 -0.415) 20.797 23.383 ( -0.513 -1.013 1.164) 1.626 23.383 ( 0.513 -1.013 1.164) 1.626 23.856 ( -0.974 -2.713 -0.360) 2.905 23.856 ( 0.974 -2.713 -0.360) 2.905 25.305 ( -12.210 0.749 12.672) 17.613 25.305 ( 12.210 0.749 12.672) 17.613 25.852 ( -18.436 1.199 -10.701) 21.350 25.852 ( 18.436 1.199 -10.701) 21.350 ======================= Grid point 387 (75/105) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( 13.779 13.779 31.079) 36.683 3.452 ( 18.125 18.125 26.920) 37.172 4.533 ( 4.513 4.513 -26.805) 27.554 4.806 ( -0.077 -0.077 -35.548) 35.548 5.129 ( 5.259 5.259 20.124) 21.455 5.679 ( 8.717 8.717 12.938) 17.871 6.666 ( 2.612 2.612 10.759) 11.375 7.146 ( 7.600 7.600 -4.311) 11.580 7.557 ( -17.070 -17.070 11.657) 26.808 7.966 ( -9.887 -9.887 0.646) 13.997 8.073 ( -2.836 -2.836 28.382) 28.664 8.768 ( -1.573 -1.573 7.032) 7.375 8.999 ( -7.842 -7.842 -9.330) 14.493 9.086 ( -7.379 -7.379 -5.751) 11.915 9.411 ( -1.018 -1.018 13.552) 13.629 9.607 ( 1.107 1.107 7.752) 7.908 9.969 ( 2.084 2.084 0.737) 3.038 10.435 ( -2.571 -2.571 -14.565) 15.012 10.864 ( -3.526 -3.526 4.144) 6.483 11.220 ( 1.103 1.103 -7.709) 7.865 11.384 ( -9.140 -9.140 16.783) 21.184 11.831 ( -2.344 -2.344 12.308) 12.747 12.140 ( -17.838 -17.838 -14.345) 29.020 12.670 ( -12.552 -12.552 -22.687) 28.806 13.278 ( 8.666 8.666 -0.774) 12.280 13.616 ( 8.807 8.807 -16.707) 20.838 13.971 ( 2.366 2.366 -8.811) 9.425 14.078 ( 0.621 0.621 -11.459) 11.492 14.642 ( 6.215 6.215 -4.025) 9.667 14.806 ( 3.647 3.647 -8.039) 9.551 15.646 ( 2.679 2.679 9.950) 10.647 16.024 ( -1.301 -1.301 -4.032) 4.432 16.692 ( 5.083 5.083 8.666) 11.259 16.850 ( 3.139 3.139 0.705) 4.495 17.936 ( 2.465 2.465 14.766) 15.171 18.443 ( -0.779 -0.779 -11.324) 11.378 19.260 ( 4.998 4.998 0.545) 7.089 19.395 ( 4.651 4.651 -5.314) 8.456 20.664 ( 9.121 9.121 10.078) 16.369 20.908 ( 9.264 9.264 -0.811) 13.126 23.366 ( -1.998 -1.998 0.933) 2.976 23.384 ( -0.769 -0.769 -0.609) 1.246 23.906 ( -3.034 -3.034 1.843) 4.669 23.942 ( -4.051 -4.051 0.064) 5.729 24.685 ( 8.570 8.570 5.599) 13.351 24.923 ( 9.807 9.807 -5.384) 14.878 25.843 ( -3.883 -3.883 18.919) 19.699 26.583 ( -6.247 -6.247 -16.643) 18.843 ======================= Grid point 388 (76/105) ======================= q-point: ( 0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( 17.718 14.462 21.650) 31.493 3.915 ( 24.068 12.332 20.265) 33.793 4.519 ( -0.348 14.567 -18.278) 23.375 4.884 ( 6.984 -5.040 -20.153) 21.916 5.392 ( 13.905 1.078 7.408) 15.792 5.825 ( 7.122 -10.988 -1.074) 13.138 6.585 ( -12.290 -12.614 14.926) 23.085 7.188 ( -7.994 -4.688 -2.640) 9.636 7.281 ( -4.492 5.589 10.785) 12.951 7.715 ( -5.909 13.370 1.483) 14.693 8.170 ( 4.820 -5.966 25.808) 26.924 8.686 ( -5.483 -12.619 6.643) 15.278 8.850 ( -7.167 0.651 -2.478) 7.611 9.027 ( 0.179 -8.098 -3.883) 8.983 9.317 ( -9.040 5.952 19.554) 22.350 9.647 ( 2.789 1.660 7.027) 7.740 9.978 ( -1.685 6.020 -2.431) 6.707 10.243 ( -13.537 6.755 -10.785) 18.579 10.846 ( -3.329 -15.920 15.898) 22.743 11.146 ( -3.117 -9.097 3.350) 10.183 11.325 ( -2.200 -4.542 -1.691) 5.322 11.686 ( -7.348 -0.377 -7.332) 10.388 11.944 ( -3.227 -16.731 -4.124) 17.532 12.403 ( -14.238 -19.251 -17.940) 29.919 13.474 ( 10.887 10.505 -0.405) 15.134 13.772 ( 7.140 11.664 -14.946) 20.258 13.981 ( -2.059 6.682 -7.456) 10.222 14.072 ( 0.346 6.752 -12.097) 13.858 14.816 ( 9.516 0.952 -8.003) 12.471 14.908 ( 6.761 -0.811 -9.852) 11.976 15.683 ( 1.363 1.696 7.135) 7.459 15.977 ( -3.481 0.331 -3.429) 4.897 16.796 ( 5.220 4.243 7.689) 10.216 16.924 ( 4.306 3.915 1.440) 5.995 17.954 ( -0.080 -9.710 10.704) 14.452 18.357 ( -7.074 -14.758 -10.736) 19.573 19.441 ( 11.875 12.486 1.936) 17.339 19.568 ( 12.161 12.142 -2.117) 17.314 20.781 ( 3.064 15.530 10.018) 18.733 21.024 ( 2.289 13.826 -0.683) 14.030 23.342 ( -0.387 -1.637 1.486) 2.245 23.375 ( -0.253 -1.127 -0.526) 1.269 23.842 ( -3.206 -2.994 1.242) 4.560 23.870 ( -3.381 -4.743 0.052) 5.825 24.880 ( 11.304 6.730 6.676) 14.752 25.155 ( 13.797 6.714 -5.559) 16.320 25.751 ( -5.517 -1.552 15.982) 16.978 26.420 ( -10.602 -4.454 -15.393) 19.215 ======================= Grid point 389 (77/105) ======================= q-point: ( 0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( 21.757 9.569 13.728) 27.448 4.286 ( 13.953 9.315 9.465) 19.263 4.639 ( 9.378 15.619 -5.706) 19.091 4.929 ( -4.161 -0.913 -10.412) 11.250 5.516 ( 1.998 -8.645 11.595) 14.600 5.948 ( -1.712 -21.675 3.634) 22.044 6.353 ( -2.487 -10.056 -2.223) 10.594 6.882 ( -17.625 -6.478 -12.287) 22.441 7.381 ( 11.852 11.886 16.252) 23.364 7.822 ( 11.215 12.336 1.192) 16.715 8.124 ( -7.222 5.208 17.926) 20.015 8.556 ( -10.837 -7.889 0.130) 13.405 8.799 ( 2.646 -2.957 12.458) 13.075 9.065 ( -1.596 -8.675 6.321) 10.852 9.101 ( -4.555 5.861 8.970) 11.643 9.635 ( -10.084 7.083 -2.193) 12.517 9.869 ( -2.988 5.283 3.696) 7.106 10.062 ( -5.547 0.961 10.544) 11.952 10.748 ( -1.838 -6.112 9.279) 11.262 11.053 ( -12.417 -5.086 1.484) 13.500 11.333 ( 10.308 -15.172 0.041) 18.343 11.699 ( 2.275 -10.639 -13.251) 17.145 11.887 ( -2.133 -12.434 -3.524) 13.098 12.144 ( -11.827 -18.461 -12.940) 25.458 13.675 ( 9.321 10.571 -1.230) 14.147 13.890 ( 3.534 15.617 -13.020) 20.637 13.925 ( -1.474 6.821 -6.140) 9.295 14.068 ( -1.565 9.760 -13.487) 16.722 14.970 ( 6.457 -1.579 -8.997) 11.186 15.034 ( 4.689 -1.487 -12.129) 13.089 15.715 ( 2.434 0.809 3.555) 4.383 15.891 ( -5.214 1.183 -2.952) 6.107 16.892 ( 4.759 3.543 8.191) 10.114 16.988 ( 1.515 3.859 4.412) 6.054 17.967 ( 2.303 -17.983 3.070) 18.388 18.203 ( -8.278 -20.590 -9.004) 23.949 19.673 ( 11.179 16.103 4.535) 20.121 19.787 ( 8.235 15.695 1.458) 17.784 20.815 ( 1.822 19.133 7.173) 20.515 20.998 ( -4.435 17.175 -0.435) 17.743 23.347 ( 0.695 -1.247 1.491) 2.065 23.371 ( -0.264 -0.972 0.174) 1.022 23.793 ( -1.617 -3.989 0.611) 4.348 23.813 ( -2.387 -4.837 -0.147) 5.396 25.110 ( 12.133 4.555 8.837) 15.686 25.402 ( 7.364 1.784 1.154) 7.665 25.669 ( 0.936 2.424 4.792) 5.451 26.177 ( -14.354 -1.807 -13.301) 19.652 ======================= Grid point 390 (78/105) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( -9.472 7.990 10.222) 16.065 4.383 ( 9.472 7.990 10.222) 16.065 4.766 ( -8.651 7.155 -6.501) 12.973 4.766 ( 8.651 7.155 -6.501) 12.973 5.692 ( -16.413 -15.718 16.042) 27.817 5.692 ( 16.413 -15.718 16.042) 27.817 6.552 ( -16.220 -7.150 -17.854) 25.159 6.552 ( 16.220 -7.150 -17.854) 25.159 7.705 ( -18.664 7.997 17.213) 26.619 7.705 ( 18.664 7.997 17.213) 26.619 8.269 ( -17.270 5.163 -1.226) 18.067 8.269 ( 17.270 5.163 -1.226) 18.067 8.886 ( -6.803 -4.493 14.963) 17.040 8.886 ( 6.803 -4.493 14.963) 17.040 9.319 ( -16.708 3.589 -3.847) 17.517 9.319 ( 16.708 3.589 -3.847) 17.517 9.942 ( -6.591 0.990 15.558) 16.926 9.942 ( 6.591 0.990 15.558) 16.926 10.828 ( -9.068 -1.680 2.487) 9.552 10.828 ( 9.068 -1.680 2.487) 9.552 11.577 ( -12.406 -19.727 -3.361) 23.545 11.577 ( 12.406 -19.727 -3.361) 23.545 11.958 ( -7.670 -11.652 -10.850) 17.673 11.958 ( 7.670 -11.652 -10.850) 17.673 13.823 ( -5.902 10.346 -3.086) 12.305 13.823 ( 5.902 10.346 -3.086) 12.305 14.006 ( -4.600 12.071 -13.630) 18.779 14.006 ( 4.600 12.071 -13.630) 18.779 15.058 ( -2.135 -1.840 -10.909) 11.267 15.058 ( 2.135 -1.840 -10.909) 11.267 15.788 ( -4.993 0.933 -0.599) 5.114 15.788 ( 4.993 0.933 -0.599) 5.114 16.971 ( -2.941 3.566 7.552) 8.854 16.971 ( 2.941 3.566 7.552) 8.854 18.055 ( -6.534 -21.538 -4.635) 22.980 18.055 ( 6.534 -21.538 -4.635) 22.980 19.831 ( -3.836 17.065 4.903) 18.165 19.831 ( 3.836 17.065 4.903) 18.165 20.888 ( -5.684 19.171 2.098) 20.106 20.888 ( 5.684 19.171 2.098) 20.106 23.362 ( -0.664 -0.917 1.008) 1.516 23.362 ( 0.664 -0.917 1.008) 1.516 23.783 ( -0.582 -4.686 0.029) 4.722 23.783 ( 0.582 -4.686 0.029) 4.722 25.330 ( -9.922 2.018 10.988) 14.941 25.330 ( 9.922 2.018 10.988) 14.941 25.880 ( -15.650 1.394 -10.253) 18.761 25.880 ( 15.650 1.394 -10.253) 18.761 ======================= Grid point 399 (79/105) ======================= q-point: ( 0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.869 ( 12.188 12.188 18.091) 24.987 4.281 ( 19.542 19.542 9.107) 29.098 4.699 ( 2.820 2.820 -9.268) 10.090 4.877 ( 9.594 9.594 -12.875) 18.705 5.524 ( 0.238 0.238 -3.593) 3.609 5.646 ( -2.550 -2.550 -1.691) 3.983 6.284 ( -11.718 -11.718 13.907) 21.633 6.988 ( -11.011 -11.011 -18.225) 23.972 7.496 ( 9.713 9.713 24.569) 28.149 7.870 ( 0.315 0.315 11.957) 11.966 8.173 ( 7.323 7.323 14.486) 17.807 8.465 ( -8.077 -8.077 4.808) 12.393 8.842 ( -5.043 -5.043 2.528) 7.567 8.871 ( -3.115 -3.115 3.297) 5.502 9.388 ( -2.356 -2.356 24.252) 24.480 9.667 ( 1.687 1.687 8.270) 8.607 10.062 ( 1.554 1.554 -2.548) 3.365 10.221 ( -10.174 -10.174 -3.749) 14.868 10.611 ( -5.914 -5.914 8.849) 12.176 10.970 ( -7.234 -7.234 2.237) 10.472 11.244 ( -4.753 -4.753 0.163) 6.724 11.587 ( -8.062 -8.062 -15.869) 19.539 11.758 ( -3.160 -3.160 -3.244) 5.523 12.046 ( -16.128 -16.128 -12.459) 25.989 13.682 ( 10.429 10.429 0.344) 14.753 13.967 ( 8.307 8.307 -14.150) 18.391 14.095 ( 4.595 4.595 -8.069) 10.361 14.168 ( 3.240 3.240 -8.962) 10.065 14.907 ( 5.531 5.531 -12.020) 14.341 14.926 ( 4.813 4.813 -12.255) 14.019 15.699 ( 0.076 0.076 5.687) 5.688 15.963 ( -2.034 -2.034 -3.236) 4.330 16.879 ( 4.079 4.079 6.625) 8.784 16.998 ( 3.781 3.781 0.264) 5.354 17.767 ( -8.831 -8.831 6.430) 14.047 18.076 ( -13.655 -13.655 -9.714) 21.617 19.725 ( 15.836 15.836 4.139) 22.775 19.856 ( 16.292 16.292 0.782) 23.054 21.006 ( 7.531 7.531 9.677) 14.390 21.223 ( 6.022 6.022 0.370) 8.524 23.324 ( -0.091 -0.091 1.564) 1.569 23.362 ( -0.173 -0.173 -0.714) 0.755 23.777 ( -3.981 -3.981 0.862) 5.696 23.778 ( -4.054 -4.054 0.622) 5.767 25.035 ( 9.077 9.077 6.779) 14.517 25.311 ( 9.040 9.040 -4.526) 13.563 25.715 ( -2.009 -2.009 11.988) 12.320 26.303 ( -7.742 -7.742 -14.298) 18.008 ======================= Grid point 400 (80/105) ======================= q-point: ( 0.40 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.151 ( 16.644 5.121 10.670) 20.423 4.486 ( 4.781 5.402 -3.296) 7.931 4.928 ( 9.922 10.248 -0.657) 14.279 4.949 ( -2.026 6.896 -4.693) 8.584 5.338 ( -6.641 -12.842 6.955) 16.043 5.675 ( -0.848 -1.716 -1.192) 2.255 6.283 ( 8.940 3.226 2.792) 9.906 6.775 ( -11.846 -3.235 -14.968) 19.360 7.628 ( 7.278 11.147 17.992) 22.382 7.887 ( 1.062 -3.547 9.465) 10.164 8.231 ( 0.574 1.385 10.126) 10.237 8.415 ( -2.510 -2.122 3.298) 4.657 8.746 ( -2.511 -4.025 10.429) 11.457 8.900 ( 3.194 -4.048 9.100) 10.460 9.198 ( -9.544 1.469 17.948) 20.381 9.711 ( -4.345 0.612 8.659) 9.707 9.916 ( -10.056 -3.964 -1.104) 10.865 10.061 ( -4.587 -0.712 11.716) 12.602 10.608 ( 4.815 -6.633 0.443) 8.208 10.887 ( -4.013 -9.387 -0.239) 10.212 11.152 ( -1.298 -4.613 0.421) 4.811 11.468 ( -8.309 -9.995 -14.202) 19.252 11.693 ( -0.866 -9.623 -5.839) 11.289 11.842 ( -5.609 -11.491 -8.926) 15.594 13.862 ( 7.999 8.837 -0.214) 11.922 14.055 ( -0.579 6.684 -7.772) 10.267 14.159 ( 4.199 11.202 -10.296) 15.784 14.231 ( 2.410 5.540 -10.807) 12.381 14.987 ( 5.007 3.117 -10.392) 11.949 15.066 ( 5.152 6.023 -15.496) 17.405 15.707 ( 1.671 -1.746 2.510) 3.485 15.894 ( -5.003 -1.274 -3.742) 6.376 16.956 ( 4.024 2.973 6.592) 8.275 17.054 ( 1.225 2.991 2.330) 3.984 17.645 ( -2.841 -14.737 0.245) 15.010 17.839 ( -10.649 -16.602 -8.812) 21.603 20.018 ( 13.514 18.852 6.833) 24.181 20.132 ( 10.338 18.999 3.767) 21.955 21.095 ( 3.018 9.265 7.402) 12.237 21.253 ( -2.402 8.253 1.043) 8.658 23.337 ( 1.152 0.334 1.429) 1.866 23.364 ( 0.113 0.364 -0.134) 0.404 23.705 ( -2.675 -4.994 0.780) 5.719 23.715 ( -2.743 -5.042 0.343) 5.750 25.219 ( 9.544 6.535 7.682) 13.885 25.452 ( 2.590 3.238 3.509) 5.432 25.715 ( 4.501 2.227 0.032) 5.022 26.122 ( -10.814 -3.996 -12.402) 16.933 ======================= Grid point 401 (81/105) ======================= q-point: (-0.50 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.460 ( -11.716 0.898 4.693) 12.653 4.460 ( 11.716 0.898 4.693) 12.653 4.884 ( -6.046 -0.589 -7.187) 9.411 4.884 ( 6.046 -0.589 -7.187) 9.411 5.526 ( -15.001 3.926 11.670) 19.407 5.526 ( 15.001 3.926 11.670) 19.407 6.517 ( -14.097 2.106 -10.732) 17.843 6.517 ( 14.097 2.106 -10.732) 17.843 7.819 ( -9.424 3.195 12.722) 16.152 7.819 ( 9.424 3.195 12.722) 16.152 8.300 ( -6.929 -0.744 4.499) 8.295 8.300 ( 6.929 -0.744 4.499) 8.295 8.783 ( -7.455 -4.528 15.631) 17.900 8.783 ( 7.455 -4.528 15.631) 17.900 9.375 ( -20.344 0.403 3.748) 20.691 9.375 ( 20.344 0.403 3.748) 20.691 9.954 ( -6.075 -0.871 12.594) 14.010 9.954 ( 6.075 -0.871 12.594) 14.010 10.751 ( -8.627 -6.555 -0.933) 10.875 10.751 ( 8.627 -6.555 -0.933) 10.875 11.259 ( -10.455 -9.973 -4.545) 15.147 11.259 ( 10.455 -9.973 -4.545) 15.147 11.750 ( -4.601 -10.058 -9.215) 14.395 11.750 ( 4.601 -10.058 -9.215) 14.395 13.990 ( -5.224 7.881 -2.281) 9.726 13.990 ( 5.224 7.881 -2.281) 9.726 14.232 ( -2.292 8.894 -12.106) 15.196 14.232 ( 2.292 8.894 -12.106) 15.196 15.079 ( -3.301 4.981 -12.197) 13.582 15.079 ( 3.301 4.981 -12.197) 13.582 15.783 ( -5.710 -1.870 -2.276) 6.425 15.783 ( 5.710 -1.870 -2.276) 6.425 17.031 ( -3.223 2.559 5.911) 7.202 17.031 ( 3.223 2.559 5.911) 7.202 17.676 ( -5.681 -17.162 -6.162) 19.099 17.676 ( 5.681 -17.162 -6.162) 19.099 20.199 ( -3.781 20.342 6.982) 21.836 20.199 ( 3.781 20.342 6.982) 21.836 21.169 ( -4.936 8.950 3.219) 10.715 21.169 ( 4.936 8.950 3.219) 10.715 23.358 ( -0.791 0.731 0.853) 1.374 23.358 ( 0.791 0.731 0.853) 1.374 23.682 ( -0.367 -5.581 0.383) 5.606 23.682 ( 0.367 -5.581 0.383) 5.606 25.387 ( -7.225 3.786 8.796) 11.996 25.387 ( 7.225 3.786 8.796) 11.996 25.897 ( -11.896 0.168 -9.564) 15.265 25.897 ( 11.896 0.168 -9.564) 15.265 ======================= Grid point 411 (82/105) ======================= q-point: ( 0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.282 ( 8.721 8.721 5.002) 13.308 4.510 ( 0.253 0.253 -6.304) 6.314 4.864 ( -9.833 -9.833 -4.098) 14.497 4.931 ( -14.016 -14.016 -5.209) 20.495 5.428 ( 22.141 22.141 14.305) 34.425 5.827 ( 11.139 11.139 -2.842) 16.007 6.383 ( 4.242 4.242 5.266) 7.983 6.707 ( -5.995 -5.995 -7.937) 11.614 7.770 ( 4.876 4.876 10.706) 12.735 7.853 ( 2.693 2.693 6.634) 7.649 8.217 ( 0.774 0.774 10.000) 10.059 8.387 ( -4.672 -4.672 1.967) 6.894 8.647 ( -3.474 -3.474 15.079) 15.860 8.959 ( 2.405 2.405 7.149) 7.917 9.103 ( -5.662 -5.662 21.130) 22.596 9.623 ( -12.921 -12.921 6.875) 19.524 9.803 ( 0.370 0.370 11.697) 11.708 10.015 ( -5.047 -5.047 11.077) 13.178 10.550 ( 1.041 1.041 -7.824) 7.961 10.747 ( -6.202 -6.202 -3.931) 9.611 11.112 ( 1.558 1.558 0.565) 2.275 11.370 ( -3.796 -3.796 -14.174) 15.157 11.513 ( -5.042 -5.042 -1.065) 7.210 11.684 ( -6.544 -6.544 -8.457) 12.537 14.018 ( 7.181 7.181 -1.525) 10.269 14.164 ( 3.155 3.155 -8.656) 9.738 14.262 ( 1.278 1.278 -5.503) 5.793 14.317 ( 2.942 2.942 -9.603) 10.466 15.097 ( 8.159 8.159 -10.445) 15.564 15.230 ( 7.945 7.945 -16.425) 19.900 15.659 ( -2.069 -2.069 0.084) 2.927 15.831 ( -5.373 -5.373 -5.576) 9.426 17.012 ( 3.021 3.021 5.205) 6.734 17.100 ( 1.214 1.214 1.548) 2.312 17.423 ( -7.187 -7.187 -2.443) 10.453 17.567 ( -11.466 -11.466 -8.179) 18.161 20.368 ( 16.179 16.179 9.530) 24.786 20.469 ( 13.969 13.969 6.889) 20.922 21.185 ( 1.331 1.331 5.742) 6.043 21.309 ( -2.013 -2.013 1.361) 3.155 23.361 ( 1.927 1.927 1.355) 3.043 23.383 ( 1.333 1.333 0.056) 1.885 23.613 ( -3.999 -3.999 0.930) 5.731 23.625 ( -4.059 -4.059 0.291) 5.748 25.352 ( 6.892 6.892 7.074) 12.044 25.503 ( 1.000 1.000 6.639) 6.788 25.770 ( 4.178 4.178 -5.894) 8.346 26.021 ( -6.392 -6.392 -10.967) 14.212 ======================= Grid point 412 (83/105) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.467 ( -8.016 0.764 0.304) 8.058 4.467 ( 8.016 0.764 0.304) 8.059 4.739 ( -2.899 -9.867 -6.136) 11.975 4.739 ( 2.899 -9.867 -6.136) 11.975 5.823 ( -14.092 21.672 8.156) 27.107 5.823 ( 14.092 21.672 8.156) 27.107 6.518 ( -11.409 -5.383 -1.558) 12.711 6.518 ( 11.409 -5.383 -1.558) 12.711 7.884 ( -3.739 6.341 5.880) 9.422 7.884 ( 3.739 6.341 5.880) 9.422 8.264 ( -5.424 -3.989 4.548) 8.125 8.264 ( 5.424 -3.989 4.548) 8.125 8.724 ( -12.399 -1.703 18.586) 22.407 8.724 ( 12.399 -1.703 18.586) 22.407 9.312 ( -16.645 -6.133 6.553) 18.910 9.312 ( 16.645 -6.133 6.553) 18.910 9.892 ( -6.606 -4.210 14.028) 16.067 9.892 ( 6.606 -4.210 14.028) 16.067 10.626 ( -5.849 -4.601 -6.995) 10.213 10.626 ( 5.849 -4.601 -6.995) 10.213 11.220 ( -8.521 4.169 -3.070) 9.971 11.220 ( 8.521 4.169 -3.070) 9.971 11.560 ( -6.057 -9.602 -7.328) 13.513 11.560 ( 6.057 -9.602 -7.328) 13.513 14.135 ( -4.726 7.046 -3.997) 9.379 14.135 ( 4.726 7.046 -3.997) 9.379 14.312 ( -2.672 -0.219 -8.164) 8.593 14.312 ( 2.672 -0.219 -8.164) 8.593 15.254 ( -5.807 11.923 -11.452) 17.522 15.254 ( 5.807 11.923 -11.452) 17.522 15.702 ( -6.515 -6.632 -5.573) 10.840 15.702 ( 6.515 -6.632 -5.573) 10.840 17.076 ( -3.222 2.238 3.875) 5.515 17.076 ( 3.222 2.238 3.875) 5.515 17.404 ( -4.787 -10.630 -6.410) 13.304 17.404 ( 4.787 -10.630 -6.410) 13.304 20.582 ( -3.750 18.003 10.461) 21.157 20.582 ( 3.750 18.003 10.461) 21.157 21.227 ( -4.333 -2.408 2.059) 5.368 21.227 ( 4.333 -2.408 2.059) 5.368 23.393 ( -0.788 2.860 0.914) 3.104 23.393 ( 0.788 2.860 0.914) 3.104 23.574 ( -0.511 -5.378 0.453) 5.421 23.574 ( 0.511 -5.378 0.453) 5.421 25.467 ( -4.436 3.994 7.370) 9.483 25.467 ( 4.436 3.994 7.370) 9.483 25.885 ( -7.159 -1.170 -9.290) 11.786 25.885 ( 7.159 -1.170 -9.290) 11.786 ======================= Grid point 428 (84/105) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.490 ( -0.000 -0.000 -0.482) 0.482 4.490 ( 0.000 0.000 -0.482) 0.482 4.618 ( 0.000 0.000 -6.634) 6.634 4.618 ( 0.000 0.000 -6.634) 6.634 6.188 ( -0.000 -0.000 7.471) 7.471 6.188 ( 0.000 0.000 7.471) 7.471 6.318 ( -0.000 -0.000 2.627) 2.627 6.318 ( 0.000 0.000 2.627) 2.627 8.055 ( -0.000 -0.000 3.789) 3.789 8.055 ( 0.000 0.000 3.789) 3.789 8.133 ( -0.000 -0.000 1.395) 1.395 8.133 ( 0.000 0.000 1.395) 1.395 8.712 ( 0.000 0.000 22.490) 22.490 8.712 ( 0.000 0.000 22.490) 22.490 9.228 ( -0.000 -0.000 3.950) 3.950 9.228 ( 0.000 0.000 3.950) 3.950 9.847 ( 0.000 0.000 16.225) 16.225 9.847 ( 0.000 0.000 16.225) 16.225 10.584 ( 0.000 0.000 -8.561) 8.561 10.584 ( 0.000 0.000 -8.561) 8.561 11.325 ( -0.000 -0.000 -1.776) 1.776 11.325 ( 0.000 0.000 -1.776) 1.776 11.410 ( -0.000 -0.000 -7.526) 7.526 11.410 ( 0.000 0.000 -7.526) 7.526 14.251 ( -0.000 -0.000 -4.830) 4.830 14.251 ( 0.000 0.000 -4.830) 4.830 14.259 ( -0.000 -0.000 -6.695) 6.695 14.259 ( 0.000 0.000 -6.695) 6.695 15.446 ( -0.000 -0.000 -6.930) 6.930 15.446 ( 0.000 0.000 -6.930) 6.930 15.569 ( -0.000 -0.000 -10.904) 10.904 15.569 ( 0.000 0.000 -10.904) 10.904 17.107 ( -0.000 -0.000 3.025) 3.025 17.107 ( 0.000 0.000 3.025) 3.025 17.290 ( -0.000 -0.000 -6.262) 6.262 17.290 ( 0.000 0.000 -6.262) 6.262 20.801 ( -0.000 -0.000 15.463) 15.463 20.801 ( 0.000 0.000 15.463) 15.463 21.160 ( -0.000 -0.000 -2.143) 2.143 21.160 ( 0.000 0.000 -2.143) 2.143 23.448 ( -0.000 -0.000 1.763) 1.763 23.448 ( 0.000 0.000 1.763) 1.763 23.495 ( -0.000 -0.000 -0.339) 0.339 23.495 ( 0.000 0.000 -0.339) 0.339 25.513 ( 0.000 0.000 7.192) 7.192 25.513 ( 0.000 0.000 7.192) 7.192 25.869 ( 0.000 0.000 -9.527) 9.527 25.869 ( 0.000 0.000 -9.527) 9.527 ======================= Grid point 484 (85/105) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( 0.000 0.000 -39.454) 39.454 3.611 ( 0.000 0.000 39.454) 39.454 3.974 ( 0.000 0.000 -50.109) 50.109 3.974 ( 0.000 0.000 50.109) 50.109 5.525 ( -0.000 -0.000 -35.660) 35.660 5.525 ( -0.000 -0.000 35.660) 35.660 6.133 ( 0.000 0.000 -34.522) 34.522 6.133 ( -0.000 -0.000 34.522) 34.522 8.192 ( 0.000 0.000 -3.524) 3.524 8.192 ( 0.000 0.000 3.524) 3.524 8.772 ( 0.000 0.000 -31.377) 31.377 8.772 ( 0.000 0.000 31.377) 31.377 9.379 ( 0.000 0.000 -5.036) 5.036 9.379 ( 0.000 0.000 5.036) 5.036 9.917 ( 0.000 0.000 -8.720) 8.720 9.917 ( 0.000 0.000 8.720) 8.720 10.097 ( 0.000 0.000 -6.140) 6.140 10.097 ( -0.000 -0.000 6.140) 6.140 11.100 ( 0.000 0.000 -17.540) 17.540 11.100 ( -0.000 -0.000 17.540) 17.540 12.069 ( -0.000 -0.000 -12.702) 12.702 12.069 ( 0.000 0.000 12.702) 12.702 12.547 ( 0.000 0.000 -35.977) 35.977 12.547 ( 0.000 0.000 35.977) 35.977 13.160 ( -0.000 -0.000 -5.560) 5.560 13.160 ( 0.000 0.000 5.560) 5.560 13.961 ( 0.000 0.000 -7.308) 7.308 13.961 ( 0.000 0.000 7.308) 7.308 14.390 ( -0.000 -0.000 -5.194) 5.194 14.390 ( 0.000 0.000 5.194) 5.194 15.771 ( 0.000 0.000 -16.701) 16.701 15.771 ( 0.000 0.000 16.701) 16.701 16.953 ( 0.000 0.000 -0.849) 0.849 16.953 ( 0.000 0.000 0.849) 0.849 17.469 ( 0.000 0.000 -19.181) 19.181 17.469 ( 0.000 0.000 19.181) 19.181 19.471 ( 0.000 0.000 -2.556) 2.556 19.471 ( 0.000 0.000 2.556) 2.556 20.379 ( -0.000 -0.000 -1.722) 1.722 20.379 ( 0.000 0.000 1.722) 1.722 23.439 ( 0.000 0.000 -2.362) 2.362 23.439 ( 0.000 0.000 2.362) 2.362 24.123 ( 0.000 0.000 -0.425) 0.425 24.123 ( -0.000 -0.000 0.425) 0.425 24.410 ( 0.000 0.000 -5.581) 5.581 24.410 ( 0.000 0.000 5.581) 5.581 26.443 ( 0.000 0.000 -19.261) 19.261 26.443 ( -0.000 -0.000 19.261) 19.261 ======================= Grid point 486 (86/105) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( -0.378 0.000 -36.211) 36.213 3.626 ( -0.378 0.000 36.211) 36.213 3.961 ( 1.962 0.000 -42.526) 42.571 3.961 ( 1.962 0.000 42.526) 42.571 5.604 ( 8.357 0.000 -20.276) 21.931 5.604 ( 8.357 0.000 20.276) 21.931 6.229 ( 8.833 0.000 -20.234) 22.078 6.229 ( 8.833 0.000 20.234) 22.078 8.210 ( -0.820 0.000 -8.050) 8.091 8.210 ( -0.820 0.000 8.050) 8.091 8.739 ( -1.995 0.000 -27.590) 27.662 8.739 ( -1.995 0.000 27.590) 27.662 9.389 ( 0.566 0.000 -2.698) 2.756 9.389 ( 0.566 0.000 2.698) 2.756 9.678 ( -14.276 0.000 -8.260) 16.494 9.678 ( -14.276 0.000 8.260) 16.494 10.199 ( -2.856 0.000 -7.235) 7.779 10.199 ( -2.856 0.000 7.235) 7.779 10.973 ( -4.672 0.000 -12.623) 13.459 10.973 ( -4.672 0.000 12.623) 13.459 12.175 ( 5.432 0.000 -16.317) 17.197 12.175 ( 5.432 0.000 16.317) 17.197 12.499 ( -4.326 0.000 -33.468) 33.747 12.499 ( -4.326 0.000 33.468) 33.747 13.129 ( -1.735 0.000 -5.609) 5.872 13.129 ( -1.735 0.000 5.609) 5.872 13.909 ( -5.155 0.000 -4.620) 6.923 13.909 ( -5.155 0.000 4.620) 6.923 14.476 ( 8.593 0.000 -4.284) 9.602 14.476 ( 8.593 0.000 4.284) 9.602 15.800 ( 2.312 0.000 -15.665) 15.835 15.800 ( 2.312 0.000 15.665) 15.835 16.834 ( -7.398 0.000 -3.518) 8.192 16.834 ( -7.398 0.000 3.518) 8.192 17.703 ( 19.185 0.000 -14.580) 24.097 17.703 ( 19.185 0.000 14.580) 24.097 19.420 ( -4.517 0.000 -2.592) 5.208 19.420 ( -4.517 0.000 2.592) 5.208 20.433 ( 4.421 0.000 -4.056) 6.000 20.433 ( 4.421 0.000 4.056) 6.000 23.432 ( -0.687 0.000 -1.869) 1.992 23.432 ( -0.687 0.000 1.869) 1.992 24.092 ( -2.982 0.000 -1.171) 3.204 24.092 ( -2.982 0.000 1.171) 3.204 24.463 ( 5.457 0.000 -5.437) 7.703 24.463 ( 5.457 0.000 5.437) 7.703 26.416 ( -2.911 0.000 -19.539) 19.755 26.416 ( -2.911 0.000 19.539) 19.755 ======================= Grid point 488 (87/105) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( -1.099 0.000 -35.428) 35.445 3.586 ( -1.099 0.000 35.428) 35.445 4.129 ( 13.969 0.000 -33.908) 36.673 4.129 ( 13.969 0.000 33.908) 36.673 5.857 ( 17.862 0.000 -12.170) 21.614 5.857 ( 17.862 0.000 12.170) 21.614 6.418 ( 9.401 0.000 -10.755) 14.285 6.418 ( 9.401 0.000 10.755) 14.285 8.022 ( -19.361 0.000 -8.483) 21.138 8.022 ( -19.361 0.000 8.483) 21.138 8.774 ( 5.007 0.000 -15.114) 15.922 8.774 ( 5.007 0.000 15.114) 15.922 9.325 ( -10.494 0.000 -12.123) 16.034 9.325 ( -10.494 0.000 12.123) 16.034 9.486 ( -4.503 0.000 -7.544) 8.786 9.486 ( -4.503 0.000 7.544) 8.786 9.940 ( -15.640 0.000 -12.074) 19.758 9.940 ( -15.640 0.000 12.074) 19.758 11.085 ( 13.001 0.000 -7.411) 14.965 11.085 ( 13.001 0.000 7.411) 14.965 12.030 ( -19.714 0.000 -15.377) 25.002 12.030 ( -19.714 0.000 15.377) 25.002 12.511 ( 4.632 0.000 -16.304) 16.950 12.511 ( 4.632 0.000 16.304) 16.950 13.128 ( 1.270 0.000 -4.799) 4.964 13.128 ( 1.270 0.000 4.799) 4.964 13.800 ( -4.713 0.000 -2.738) 5.451 13.800 ( -4.713 0.000 2.738) 5.451 14.683 ( 11.441 0.000 -1.855) 11.591 14.683 ( 11.441 0.000 1.855) 11.591 15.827 ( -0.057 0.000 -12.964) 12.964 15.827 ( -0.057 0.000 12.964) 12.964 16.761 ( 0.201 0.000 -3.532) 3.538 16.761 ( 0.201 0.000 3.532) 3.538 18.100 ( 20.382 0.000 -12.891) 24.117 18.100 ( 20.382 0.000 12.891) 24.117 19.334 ( -3.484 0.000 -2.823) 4.484 19.334 ( -3.484 0.000 2.823) 4.484 20.498 ( 1.232 0.000 -6.687) 6.799 20.498 ( 1.232 0.000 6.687) 6.799 23.418 ( -0.618 0.000 -1.005) 1.180 23.418 ( -0.618 0.000 1.005) 1.180 24.020 ( -4.045 0.000 -2.060) 4.540 24.020 ( -4.045 0.000 2.060) 4.540 24.624 ( 11.183 0.000 -5.579) 12.497 24.624 ( 11.183 0.000 5.579) 12.497 26.325 ( -6.664 0.000 -19.537) 20.642 26.325 ( -6.664 0.000 19.537) 20.642 ======================= Grid point 490 (88/105) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 10.528 0.000 -24.657) 26.810 3.670 ( 10.528 0.000 24.657) 26.810 4.428 ( 15.173 0.000 -27.167) 31.117 4.428 ( 15.173 0.000 27.167) 31.117 6.270 ( 22.111 0.000 -17.266) 28.053 6.270 ( 22.111 0.000 17.266) 28.053 6.566 ( 6.918 0.000 -10.781) 12.810 6.566 ( 6.918 0.000 10.781) 12.810 7.555 ( -25.586 0.000 -5.704) 26.214 7.555 ( -25.586 0.000 5.704) 26.214 8.768 ( -12.613 0.000 -9.478) 15.777 8.768 ( -12.613 0.000 9.478) 15.777 9.039 ( -11.747 0.000 -7.978) 14.200 9.039 ( -11.747 0.000 7.978) 14.200 9.413 ( -3.803 0.000 -9.229) 9.982 9.413 ( -3.803 0.000 9.230) 9.982 9.843 ( 5.189 0.000 -6.896) 8.630 9.843 ( 5.189 0.000 6.896) 8.630 11.344 ( 7.411 0.000 -0.722) 7.446 11.344 ( 7.411 0.000 0.722) 7.446 11.611 ( -15.367 0.000 -11.582) 19.243 11.611 ( -15.367 0.000 11.582) 19.243 12.544 ( -2.897 0.000 -15.677) 15.943 12.544 ( -2.897 0.000 15.677) 15.943 13.161 ( 2.317 0.000 -3.812) 4.461 13.161 ( 2.317 0.000 3.812) 4.461 13.755 ( -0.153 0.000 -6.730) 6.732 13.755 ( -0.153 0.000 6.730) 6.732 14.884 ( 8.845 0.000 -1.746) 9.016 14.884 ( 8.845 0.000 1.746) 9.016 15.802 ( -2.074 0.000 -9.230) 9.460 15.802 ( -2.074 0.000 9.230) 9.460 16.820 ( 4.873 0.000 -2.748) 5.594 16.820 ( 4.873 0.000 2.748) 5.594 18.446 ( 14.279 0.000 -12.130) 18.736 18.446 ( 14.279 0.000 12.130) 18.736 19.316 ( 2.370 0.000 -2.877) 3.728 19.316 ( 2.370 0.000 2.877) 3.728 20.461 ( -4.961 0.000 -8.996) 10.273 20.461 ( -4.961 0.000 8.996) 10.273 23.410 ( -0.228 0.000 -0.678) 0.715 23.410 ( -0.228 0.000 0.678) 0.715 23.947 ( -3.353 0.000 -2.020) 3.914 23.947 ( -3.353 0.000 2.020) 3.914 24.889 ( 15.928 0.000 -7.075) 17.429 24.889 ( 15.928 0.000 7.075) 17.429 26.155 ( -10.884 0.000 -18.291) 21.284 26.155 ( -10.884 0.000 18.291) 21.284 ======================= Grid point 492 (89/105) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.968 ( 18.294 0.000 -13.972) 23.020 3.968 ( 18.294 0.000 13.972) 23.020 4.643 ( 5.228 0.000 -17.113) 17.894 4.643 ( 5.228 0.000 17.113) 17.894 6.429 ( -3.781 0.000 -18.343) 18.728 6.429 ( -3.781 0.000 18.343) 18.728 6.861 ( 13.434 0.000 -13.736) 19.214 6.861 ( 13.434 0.000 13.736) 19.214 7.220 ( 1.873 0.000 -14.034) 14.159 7.220 ( 1.873 0.000 14.034) 14.159 8.304 ( -29.700 0.000 -15.329) 33.423 8.304 ( -29.700 0.000 15.329) 33.423 8.934 ( -2.942 0.000 -4.850) 5.672 8.934 ( -2.942 0.000 4.850) 5.672 9.342 ( -3.213 0.000 -6.273) 7.048 9.342 ( -3.213 0.000 6.273) 7.048 10.027 ( 11.088 0.000 -9.092) 14.339 10.027 ( 11.088 0.000 9.092) 14.339 11.096 ( -17.092 0.000 -8.629) 19.147 11.096 ( -17.092 0.000 8.629) 19.147 11.763 ( 16.135 0.000 -2.183) 16.282 11.763 ( 16.135 0.000 2.183) 16.282 12.394 ( -11.580 0.000 -11.886) 16.594 12.394 ( -11.580 0.000 11.886) 16.594 13.217 ( 2.824 0.000 -2.656) 3.876 13.217 ( 2.824 0.000 2.656) 3.876 13.770 ( 1.047 0.000 -5.081) 5.188 13.770 ( 1.047 0.000 5.081) 5.188 15.015 ( 4.572 0.000 -1.429) 4.790 15.015 ( 4.572 0.000 1.429) 4.790 15.764 ( -1.559 0.000 -4.817) 5.063 15.764 ( -1.559 0.000 4.817) 5.063 16.912 ( 3.882 0.000 -2.223) 4.473 16.912 ( 3.882 0.000 2.223) 4.473 18.630 ( 5.032 0.000 -7.447) 8.988 18.630 ( 5.032 0.000 7.447) 8.988 19.426 ( 7.779 0.000 -4.497) 8.985 19.426 ( 7.779 0.000 4.497) 8.985 20.329 ( -7.556 0.000 -8.518) 11.386 20.329 ( -7.556 0.000 8.518) 11.386 23.407 ( -0.042 0.000 -0.417) 0.419 23.407 ( -0.042 0.000 0.417) 0.419 23.896 ( -1.833 0.000 -1.177) 2.178 23.896 ( -1.833 0.000 1.177) 2.178 25.222 ( 17.885 0.000 -9.604) 20.300 25.222 ( 17.885 0.000 9.604) 20.300 25.907 ( -14.522 0.000 -15.725) 21.405 25.907 ( -14.522 0.000 15.725) 21.405 ======================= Grid point 494 (90/105) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.211 ( 0.000 0.000 -0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 -0.000) 0.000 6.363 ( 0.000 0.000 -0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 7.682 ( -0.000 0.000 -0.000) 0.000 7.682 ( -0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 -0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 0.000) 0.000 10.907 ( 0.000 0.000 0.000) 0.000 10.907 ( -0.000 0.000 0.000) 0.000 12.011 ( 0.000 0.000 0.000) 0.000 12.011 ( 0.000 0.000 0.000) 0.000 12.189 ( -0.000 0.000 0.000) 0.000 12.189 ( -0.000 0.000 0.000) 0.000 13.247 ( 0.000 0.000 0.000) 0.000 13.247 ( 0.000 0.000 0.000) 0.000 13.781 ( 0.000 0.000 0.000) 0.000 13.781 ( 0.000 0.000 0.000) 0.000 15.059 ( 0.000 0.000 0.000) 0.000 15.059 ( 0.000 0.000 0.000) 0.000 15.748 ( 0.000 0.000 0.000) 0.000 15.748 ( 0.000 0.000 0.000) 0.000 16.952 ( 0.000 0.000 0.000) 0.000 16.952 ( 0.000 0.000 0.000) 0.000 18.672 ( 0.000 0.000 0.000) 0.000 18.672 ( 0.000 0.000 0.000) 0.000 19.525 ( 0.000 0.000 0.000) 0.000 19.525 ( 0.000 0.000 0.000) 0.000 20.237 ( 0.000 0.000 0.000) 0.000 20.237 ( 0.000 0.000 0.000) 0.000 23.407 ( 0.000 0.000 0.000) 0.000 23.407 ( 0.000 0.000 0.000) 0.000 23.878 ( 0.000 0.000 0.000) 0.000 23.878 ( 0.000 0.000 0.000) 0.000 25.509 ( -0.000 0.000 0.000) 0.000 25.509 ( 0.000 0.000 0.000) 0.000 25.655 ( -0.000 0.000 -0.000) 0.000 25.655 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 508 (91/105) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( 3.739 3.739 -31.247) 31.691 3.682 ( 3.739 3.739 31.247) 31.691 3.941 ( 0.627 0.627 -38.737) 38.747 3.941 ( 0.627 0.627 38.737) 38.747 5.580 ( 0.042 0.042 -7.977) 7.978 5.580 ( 0.042 0.042 7.977) 7.978 6.391 ( 13.858 13.858 -10.179) 22.083 6.391 ( 13.858 13.858 10.179) 22.083 8.220 ( -1.841 -1.841 -9.217) 9.578 8.220 ( -1.841 -1.841 9.217) 9.578 8.698 ( -2.585 -2.585 -25.081) 25.346 8.698 ( -2.585 -2.585 25.081) 25.346 9.346 ( -7.124 -7.124 -1.420) 10.175 9.346 ( -7.124 -7.124 1.420) 10.175 9.542 ( -5.889 -5.889 -8.778) 12.100 9.542 ( -5.889 -5.889 8.778) 12.100 10.272 ( -0.530 -0.530 -10.470) 10.497 10.272 ( -0.530 -0.530 10.470) 10.497 10.901 ( -1.843 -1.843 -8.169) 8.575 10.901 ( -1.843 -1.843 8.169) 8.575 12.198 ( -0.603 -0.603 -18.133) 18.153 12.198 ( -0.603 -0.603 18.133) 18.153 12.445 ( -5.140 -5.140 -31.708) 32.530 12.445 ( -5.140 -5.140 31.708) 32.530 13.124 ( 0.936 0.936 -6.454) 6.588 13.124 ( 0.936 0.936 6.454) 6.588 13.905 ( -1.409 -1.409 -5.598) 5.942 13.905 ( -1.409 -1.409 5.598) 5.942 14.513 ( 4.661 4.661 -5.599) 8.649 14.513 ( 4.661 4.661 5.599) 8.649 15.824 ( 1.884 1.884 -14.751) 14.990 15.824 ( 1.884 1.884 14.751) 14.990 16.789 ( -2.983 -2.983 -4.995) 6.538 16.789 ( -2.983 -2.983 4.995) 6.538 17.856 ( 13.780 13.780 -13.634) 23.784 17.856 ( 13.780 13.780 13.634) 23.784 19.363 ( -4.775 -4.775 -2.651) 7.255 19.363 ( -4.775 -4.775 2.651) 7.255 20.507 ( 6.421 6.421 -5.016) 10.374 20.507 ( 6.421 6.421 5.016) 10.374 23.422 ( -0.911 -0.911 -1.387) 1.893 23.422 ( -0.911 -0.911 1.387) 1.893 24.063 ( -2.796 -2.796 -1.254) 4.148 24.063 ( -2.796 -2.796 1.254) 4.148 24.514 ( 5.340 5.340 -5.441) 9.308 24.514 ( 5.340 5.340 5.441) 9.308 26.389 ( -2.847 -2.847 -19.687) 20.094 26.389 ( -2.847 -2.847 19.687) 20.094 ======================= Grid point 510 (92/105) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( 0.100 11.182 -33.416) 35.238 3.698 ( 0.100 11.182 33.416) 35.238 4.100 ( 14.649 -2.565 -35.107) 38.127 4.101 ( 14.649 -2.565 35.107) 38.127 5.670 ( 9.453 -11.496 -15.557) 21.530 5.670 ( 9.453 -11.497 15.557) 21.530 6.676 ( 14.379 18.552 -13.348) 27.001 6.676 ( 14.379 18.552 13.348) 27.001 7.989 ( -22.325 -4.572 -9.130) 24.549 7.989 ( -22.325 -4.572 9.130) 24.549 8.730 ( 4.869 -4.027 -16.332) 17.512 8.730 ( 4.869 -4.027 16.332) 17.512 9.139 ( -10.960 -13.018 -4.370) 17.570 9.139 ( -10.960 -13.018 4.370) 17.570 9.526 ( 1.059 3.346 -7.329) 8.126 9.526 ( 1.059 3.346 7.329) 8.126 10.074 ( -14.926 8.319 -13.391) 21.710 10.074 ( -14.926 8.319 13.391) 21.710 11.031 ( 12.677 -3.989 -8.247) 15.640 11.031 ( 12.677 -3.989 8.247) 15.640 11.987 ( -20.392 -4.753 -16.354) 26.568 11.987 ( -20.392 -4.753 16.354) 26.568 12.403 ( 0.321 -10.424 -19.342) 21.974 12.403 ( 0.321 -10.424 19.342) 21.974 13.191 ( 5.368 6.312 -7.071) 10.893 13.191 ( 5.368 6.312 7.071) 10.893 13.848 ( -3.537 3.964 -2.623) 5.925 13.848 ( -3.537 3.964 2.623) 5.925 14.660 ( 9.520 -1.376 -3.960) 10.402 14.660 ( 9.520 -1.376 3.960) 10.402 15.845 ( -0.151 1.507 -12.350) 12.443 15.845 ( -0.151 1.507 12.350) 12.443 16.773 ( 1.791 1.362 -4.265) 4.822 16.773 ( 1.791 1.362 4.265) 4.822 18.151 ( 14.774 4.281 -13.156) 20.241 18.151 ( 14.774 4.281 13.156) 20.241 19.287 ( -1.761 -2.936 -3.111) 4.626 19.287 ( -1.761 -2.936 3.111) 4.626 20.620 ( 3.904 10.772 -6.469) 13.158 20.620 ( 3.904 10.772 6.469) 13.158 23.403 ( -0.787 -1.324 -0.607) 1.656 23.403 ( -0.787 -1.324 0.607) 1.656 23.995 ( -3.866 -2.440 -1.636) 4.856 23.995 ( -3.866 -2.440 1.636) 4.856 24.670 ( 10.705 4.714 -5.748) 13.033 24.670 ( 10.705 4.714 5.748) 13.033 26.301 ( -6.383 -2.485 -19.472) 20.641 26.301 ( -6.383 -2.485 19.472) 20.641 ======================= Grid point 512 (93/105) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.786 ( 9.983 11.495 -23.421) 27.935 3.786 ( 9.983 11.495 23.421) 27.935 4.417 ( 16.128 -1.015 -27.874) 32.219 4.417 ( 16.128 -1.015 27.874) 32.219 5.911 ( 13.729 -19.971 -16.463) 29.298 5.911 ( 13.729 -19.971 16.463) 29.298 6.935 ( 12.147 18.165 -15.492) 26.787 6.935 ( 12.147 18.165 15.492) 26.787 7.465 ( -28.073 -5.432 -8.355) 29.790 7.465 ( -28.073 -5.432 8.355) 29.790 8.713 ( -10.239 -4.742 -13.912) 17.913 8.713 ( -10.239 -4.742 13.912) 17.913 9.007 ( -1.723 -3.664 -6.426) 7.595 9.007 ( -1.723 -3.664 6.426) 7.595 9.484 ( -6.907 6.766 -11.626) 15.121 9.484 ( -6.907 6.766 11.626) 15.121 9.907 ( 0.809 5.616 -7.584) 9.472 9.907 ( 0.809 5.616 7.584) 9.472 11.278 ( 7.909 -6.538 -3.501) 10.842 11.278 ( 7.909 -6.538 3.501) 10.842 11.566 ( -16.625 -4.378 -13.303) 21.738 11.566 ( -16.625 -4.378 13.303) 21.738 12.373 ( -4.389 -14.959 -14.742) 21.456 12.373 ( -4.389 -14.959 14.742) 21.456 13.301 ( 5.460 11.685 -5.479) 14.013 13.301 ( 5.460 11.685 5.479) 14.013 13.801 ( -1.007 4.639 -4.785) 6.740 13.801 ( -1.007 4.639 4.785) 6.740 14.841 ( 8.525 -3.674 -2.396) 9.587 14.841 ( 8.525 -3.674 2.396) 9.587 15.820 ( -2.120 1.594 -8.991) 9.374 15.820 ( -2.120 1.594 8.991) 9.374 16.848 ( 5.213 2.572 -3.164) 6.619 16.848 ( 5.213 2.572 3.164) 6.619 18.368 ( 6.921 -8.097 -11.816) 15.908 18.368 ( 6.921 -8.097 11.816) 15.908 19.333 ( 6.760 3.756 -3.563) 8.515 19.333 ( 6.760 3.756 3.563) 8.515 20.634 ( -2.421 15.379 -7.725) 17.379 20.634 ( -2.421 15.379 7.725) 17.379 23.394 ( -0.162 -1.442 -0.620) 1.578 23.394 ( -0.162 -1.442 0.620) 1.578 23.923 ( -3.355 -2.314 -1.627) 4.388 23.923 ( -3.355 -2.314 1.627) 4.388 24.923 ( 15.180 3.458 -7.159) 17.136 24.923 ( 15.180 3.458 7.159) 17.136 26.140 ( -10.331 -1.622 -18.095) 20.900 26.140 ( -10.331 -1.622 18.095) 20.900 ======================= Grid point 514 (94/105) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.071 ( 17.817 9.902 -13.230) 24.300 4.071 ( 17.817 9.902 13.230) 24.300 4.644 ( 5.181 0.327 -17.056) 17.828 4.644 ( 5.181 0.327 17.056) 17.828 6.142 ( 10.152 -20.297 -18.194) 29.087 6.142 ( 10.152 -20.297 18.194) 29.087 6.825 ( -23.241 -11.743 -12.365) 28.826 6.825 ( -23.241 -11.743 12.365) 28.826 7.362 ( 19.965 16.557 -7.408) 26.974 7.362 ( 19.965 16.557 7.408) 26.974 8.383 ( -22.327 5.619 -15.244) 27.613 8.383 ( -22.327 5.619 15.244) 27.613 8.988 ( -1.010 4.336 -4.408) 6.265 8.988 ( -1.010 4.336 4.408) 6.265 9.330 ( -6.726 -0.130 -8.562) 10.889 9.330 ( -6.726 -0.130 8.562) 10.889 10.039 ( 9.478 1.232 -8.981) 13.115 10.039 ( 9.478 1.232 8.981) 13.115 11.068 ( -16.010 -2.975 -8.781) 18.501 11.068 ( -16.010 -2.975 8.781) 18.501 11.663 ( 14.021 -9.622 -5.329) 17.821 11.663 ( 14.021 -9.622 5.329) 17.821 12.228 ( -10.056 -14.530 -9.860) 20.235 12.228 ( -10.056 -14.530 9.860) 20.235 13.391 ( 3.597 15.124 -2.605) 15.762 13.391 ( 3.597 15.124 2.605) 15.762 13.799 ( 0.358 3.136 -4.411) 5.424 13.799 ( 0.358 3.136 4.411) 5.424 14.972 ( 4.757 -3.827 -1.581) 6.307 14.972 ( 4.757 -3.827 1.581) 6.307 15.779 ( -1.786 1.344 -4.845) 5.336 15.779 ( -1.786 1.344 4.845) 5.336 16.944 ( 4.069 2.942 -2.422) 5.575 16.944 ( 4.069 2.942 2.422) 5.575 18.433 ( 0.843 -17.630 -6.993) 18.985 18.433 ( 0.843 -17.630 6.993) 18.985 19.510 ( 9.555 8.884 -4.092) 13.674 19.510 ( 9.555 8.884 4.092) 13.674 20.547 ( -5.442 19.200 -6.672) 21.042 20.547 ( -5.442 19.200 6.672) 21.042 23.395 ( 0.096 -1.224 -0.453) 1.309 23.395 ( 0.096 -1.225 0.453) 1.309 23.871 ( -1.912 -2.449 -0.987) 3.260 23.871 ( -1.912 -2.449 0.987) 3.260 25.240 ( 16.938 1.789 -9.425) 19.466 25.240 ( 16.938 1.789 9.425) 19.466 25.905 ( -13.669 -0.234 -15.397) 20.591 25.905 ( -13.669 -0.234 15.397) 20.591 ======================= Grid point 516 (95/105) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.320 ( -0.000 10.757 -0.000) 10.757 4.320 ( 0.000 10.757 -0.000) 10.757 4.636 ( -0.000 -1.475 0.000) 1.475 4.636 ( 0.000 -1.475 0.000) 1.475 6.312 ( -0.000 -3.897 -0.000) 3.897 6.312 ( 0.000 -3.897 0.000) 3.897 6.497 ( 0.000 -29.091 -0.000) 29.091 6.497 ( -0.000 -29.091 0.000) 29.091 7.775 ( -0.000 6.616 -0.000) 6.616 7.775 ( -0.000 6.616 0.000) 6.616 7.961 ( 0.000 19.009 -0.000) 19.009 7.961 ( 0.000 19.009 0.000) 19.009 8.977 ( 0.000 7.807 -0.000) 7.807 8.977 ( 0.000 7.807 0.000) 7.807 9.262 ( -0.000 -4.900 0.000) 4.900 9.262 ( 0.000 -4.900 0.000) 4.900 10.157 ( -0.000 -0.332 0.000) 0.332 10.157 ( 0.000 -0.332 0.000) 0.332 10.891 ( 0.000 -1.621 0.000) 1.621 10.891 ( 0.000 -1.621 0.000) 1.621 11.872 ( 0.000 -13.850 -0.000) 13.850 11.872 ( 0.000 -13.850 0.000) 13.850 12.059 ( -0.000 -11.046 -0.000) 11.046 12.059 ( 0.000 -11.046 0.000) 11.046 13.428 ( 0.000 16.161 0.000) 16.161 13.428 ( 0.000 16.161 0.000) 16.161 13.804 ( 0.000 2.370 0.000) 2.370 13.804 ( 0.000 2.370 0.000) 2.370 15.019 ( 0.000 -3.629 -0.000) 3.629 15.019 ( 0.000 -3.629 0.000) 3.629 15.760 ( 0.000 1.085 0.000) 1.085 15.760 ( 0.000 1.085 0.000) 1.085 16.986 ( 0.000 3.149 0.000) 3.149 16.986 ( 0.000 3.149 0.000) 3.149 18.436 ( 0.000 -20.582 0.000) 20.582 18.436 ( 0.000 -20.582 0.000) 20.582 19.619 ( 0.000 9.616 -0.000) 9.616 19.619 ( -0.000 9.616 0.000) 9.616 20.481 ( 0.000 21.109 0.000) 21.109 20.481 ( 0.000 21.109 0.000) 21.109 23.396 ( 0.000 -1.076 0.000) 1.076 23.396 ( 0.000 -1.076 0.000) 1.076 23.852 ( 0.000 -2.552 0.000) 2.552 23.852 ( 0.000 -2.552 0.000) 2.552 25.500 ( -0.000 -0.704 0.000) 0.704 25.500 ( 0.000 -0.704 0.000) 0.704 25.677 ( -0.000 2.173 -0.000) 2.173 25.677 ( 0.000 2.173 -0.000) 2.173 ======================= Grid point 532 (96/105) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.965 ( 11.052 11.052 -28.984) 32.929 3.965 ( 11.052 11.052 28.984) 32.929 4.084 ( 6.555 6.555 -35.426) 36.619 4.084 ( 6.555 6.555 35.426) 36.619 5.554 ( 0.147 0.147 -19.052) 19.053 5.554 ( 0.147 0.147 19.052) 19.053 6.963 ( 8.397 8.397 -14.901) 19.054 6.963 ( 8.397 8.397 14.901) 19.054 7.805 ( -13.338 -13.338 -11.312) 21.995 7.805 ( -13.338 -13.338 11.312) 21.995 8.664 ( -2.541 -2.541 -22.484) 22.769 8.664 ( -2.541 -2.541 22.484) 22.769 8.945 ( -5.881 -5.881 -8.049) 11.574 8.945 ( -5.881 -5.881 8.049) 11.574 9.608 ( 4.581 4.581 -6.850) 9.428 9.608 ( 4.581 4.581 6.850) 9.428 10.122 ( -4.078 -4.078 -14.129) 15.261 10.122 ( -4.078 -4.078 14.129) 15.261 11.013 ( 3.339 3.339 -10.645) 11.646 11.013 ( 3.339 3.339 10.645) 11.646 11.797 ( -16.103 -16.103 -20.027) 30.327 11.797 ( -16.103 -16.103 20.027) 30.327 12.192 ( -8.870 -8.870 -22.694) 25.930 12.192 ( -8.870 -8.870 22.694) 25.930 13.352 ( 9.634 9.634 -8.893) 16.271 13.352 ( 9.634 9.634 8.893) 16.271 13.910 ( 1.725 1.725 -3.256) 4.069 13.910 ( 1.725 1.725 3.256) 4.069 14.674 ( 3.466 3.466 -5.072) 7.054 14.674 ( 3.466 3.466 5.072) 7.054 15.866 ( 0.204 0.204 -10.776) 10.780 15.866 ( 0.204 0.204 10.776) 10.780 16.819 ( 3.478 3.478 -3.931) 6.297 16.819 ( 3.478 3.478 3.931) 6.297 18.208 ( 0.310 0.310 -12.488) 12.496 18.208 ( 0.310 0.310 12.488) 12.496 19.302 ( 5.818 5.818 -3.644) 8.998 19.302 ( 5.818 5.818 3.644) 8.998 20.832 ( 9.492 9.492 -6.427) 14.883 20.832 ( 9.492 9.492 6.427) 14.883 23.376 ( -1.203 -1.203 -0.272) 1.722 23.376 ( -1.203 -1.203 0.272) 1.722 23.934 ( -3.640 -3.640 -0.937) 5.232 23.934 ( -3.640 -3.640 0.937) 5.232 24.805 ( 9.205 9.205 -6.200) 14.419 24.805 ( 9.205 9.205 6.200) 14.419 26.226 ( -5.381 -5.381 -18.891) 20.366 26.226 ( -5.381 -5.381 18.891) 20.366 ======================= Grid point 534 (97/105) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.066 ( 6.822 14.727 -19.140) 25.095 4.066 ( 6.822 14.727 19.140) 25.095 4.415 ( 19.406 3.100 -22.169) 29.625 4.415 ( 19.406 3.100 22.169) 29.625 5.640 ( 6.965 -7.698 -13.918) 17.363 5.640 ( 6.965 -7.698 13.918) 17.363 6.912 ( -13.578 -15.610 -16.400) 26.400 6.912 ( -13.578 -15.610 16.400) 26.400 7.616 ( -3.113 16.876 -12.025) 20.954 7.616 ( -3.113 16.876 12.025) 20.954 8.591 ( -5.315 -8.394 -14.515) 17.590 8.591 ( -5.315 -8.394 14.515) 17.590 8.924 ( 2.465 -3.405 -7.089) 8.242 8.924 ( 2.465 -3.405 7.089) 8.242 9.645 ( -4.153 9.004 -10.574) 14.496 9.645 ( -4.153 9.004 10.574) 14.496 10.004 ( -3.258 3.063 -9.587) 10.578 10.004 ( -3.258 3.063 9.587) 10.578 11.114 ( 3.389 -9.620 -9.034) 13.625 11.114 ( 3.389 -9.620 9.034) 13.625 11.445 ( -15.003 -8.231 -15.364) 22.998 11.445 ( -15.003 -8.231 15.364) 22.998 12.057 ( -6.339 -15.646 -14.076) 21.980 12.057 ( -6.339 -15.646 14.076) 21.980 13.541 ( 9.377 12.206 -7.836) 17.272 13.541 ( 9.377 12.206 7.836) 17.272 13.918 ( -0.450 6.752 -2.485) 7.209 13.918 ( -0.450 6.752 2.485) 7.209 14.780 ( 6.628 -1.679 -3.087) 7.502 14.780 ( 6.628 -1.679 3.087) 7.502 15.848 ( -1.968 0.833 -8.499) 8.764 15.848 ( -1.968 0.833 8.499) 8.764 16.906 ( 5.261 3.219 -3.240) 6.967 16.906 ( 5.261 3.219 3.240) 6.967 18.155 ( -5.016 -12.881 -9.761) 16.922 18.155 ( -5.016 -12.881 9.761) 16.922 19.504 ( 13.621 13.531 -3.842) 19.580 19.504 ( 13.621 13.531 3.842) 19.580 20.949 ( 2.371 15.069 -6.465) 16.568 20.949 ( 2.371 15.069 6.465) 16.568 23.363 ( -0.107 -1.453 -0.710) 1.621 23.363 ( -0.107 -1.453 0.710) 1.621 23.863 ( -3.521 -3.763 -0.767) 5.210 23.863 ( -3.521 -3.763 0.767) 5.210 25.022 ( 12.973 6.707 -7.258) 16.309 25.022 ( 12.973 6.707 7.258) 16.309 26.091 ( -8.610 -3.495 -17.264) 19.606 26.091 ( -8.610 -3.495 17.264) 19.606 ======================= Grid point 536 (98/105) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.285 ( 15.171 9.064 -9.837) 20.226 4.285 ( 15.171 9.064 9.837) 20.226 4.690 ( 5.732 6.536 -10.983) 14.007 4.690 ( 5.732 6.536 10.983) 14.007 5.783 ( 8.625 -16.211 -13.790) 22.964 5.783 ( 8.625 -16.211 13.790) 22.964 6.559 ( -19.919 -11.377 -16.831) 28.452 6.559 ( -19.919 -11.377 16.831) 28.452 7.696 ( 10.849 15.226 -12.132) 22.287 7.696 ( 10.849 15.226 12.132) 22.287 8.444 ( -10.882 -0.111 -11.218) 15.629 8.444 ( -10.882 -0.111 11.218) 15.629 9.000 ( 5.395 -3.825 -6.676) 9.398 9.000 ( 5.395 -3.825 6.676) 9.398 9.419 ( -15.250 9.256 -15.467) 23.610 9.419 ( -15.250 9.256 15.467) 23.610 10.069 ( 6.907 1.619 -9.247) 11.655 10.069 ( 6.907 1.619 9.247) 11.655 10.975 ( -11.996 -7.069 -10.050) 17.172 10.975 ( -11.996 -7.069 10.050) 17.172 11.422 ( 7.100 -14.281 -10.515) 19.102 11.422 ( 7.100 -14.281 10.515) 19.102 11.927 ( -6.864 -14.712 -7.202) 17.760 11.927 ( -6.864 -14.712 7.202) 17.760 13.701 ( 6.872 14.758 -4.941) 17.013 13.701 ( 6.872 14.758 4.941) 17.013 13.899 ( -1.489 7.694 -3.435) 8.557 13.899 ( -1.489 7.694 3.435) 8.557 14.898 ( 4.868 -2.926 -1.671) 5.920 14.898 ( 4.868 -2.926 1.671) 5.920 15.802 ( -2.252 0.669 -5.070) 5.588 15.802 ( -2.252 0.669 5.070) 5.588 17.005 ( 4.360 2.883 -2.685) 5.876 17.005 ( 4.360 2.883 2.685) 5.876 18.052 ( -4.696 -19.961 -5.866) 21.328 18.052 ( -4.696 -19.961 5.866) 21.328 19.764 ( 11.513 16.804 -3.557) 20.678 19.764 ( 11.513 16.804 3.557) 20.678 20.940 ( -2.386 18.881 -4.987) 19.674 20.940 ( -2.386 18.881 4.987) 19.674 23.368 ( 0.406 -1.236 -0.550) 1.412 23.368 ( 0.406 -1.236 0.550) 1.412 23.805 ( -2.215 -4.199 -0.563) 4.781 23.805 ( -2.215 -4.199 0.563) 4.781 25.291 ( 14.190 3.530 -8.731) 17.031 25.291 ( 14.190 3.530 8.731) 17.031 25.896 ( -11.164 -0.762 -14.227) 18.101 25.896 ( -11.164 -0.762 14.227) 18.101 ======================= Grid point 538 (99/105) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.590 ( -0.001 15.444 -0.004) 15.444 4.590 ( 0.002 15.444 -0.001) 15.444 4.591 ( -0.003 -3.215 0.001) 3.215 4.591 ( 0.002 -3.215 0.004) 3.215 5.947 ( -0.000 -24.956 0.000) 24.956 5.947 ( 0.000 -24.956 0.000) 24.956 6.279 ( -0.000 1.747 -0.000) 1.747 6.279 ( 0.000 1.747 -0.000) 1.747 7.903 ( -0.000 5.200 -0.000) 5.200 7.903 ( -0.000 5.200 0.000) 5.200 8.245 ( 0.000 9.546 -0.000) 9.546 8.245 ( 0.000 9.546 0.000) 9.546 9.123 ( -0.000 -8.712 -0.000) 8.712 9.123 ( 0.000 -8.712 0.000) 8.712 9.189 ( 0.000 12.556 -0.000) 12.556 9.189 ( 0.000 12.556 0.000) 12.556 10.157 ( -0.000 0.516 0.000) 0.516 10.157 ( 0.000 0.516 0.000) 0.516 10.840 ( 0.000 -4.067 -0.000) 4.067 10.840 ( 0.000 -4.067 0.000) 4.067 11.519 ( -0.000 -20.706 -0.000) 20.706 11.519 ( 0.000 -20.706 -0.000) 20.706 11.839 ( -0.000 -10.796 0.000) 10.796 11.839 ( 0.000 -10.796 0.000) 10.796 13.782 ( -0.000 18.741 -0.000) 18.741 13.782 ( -0.000 18.741 0.000) 18.741 13.872 ( 0.000 4.623 -0.000) 4.623 13.872 ( 0.000 4.623 0.000) 4.623 14.948 ( 0.000 -2.765 -0.000) 2.765 14.948 ( 0.000 -2.765 0.000) 2.765 15.778 ( 0.000 0.288 0.000) 0.288 15.778 ( 0.000 0.288 0.000) 0.288 17.051 ( 0.000 3.064 0.000) 3.064 17.051 ( 0.000 3.064 0.000) 3.064 18.002 ( 0.000 -22.423 0.000) 22.423 18.002 ( 0.000 -22.423 0.000) 22.423 19.887 ( 0.000 17.574 -0.000) 17.574 19.887 ( -0.000 17.574 0.000) 17.574 20.906 ( 0.000 20.242 0.000) 20.242 20.906 ( 0.000 20.242 0.000) 20.242 23.373 ( 0.000 -1.019 0.000) 1.019 23.373 ( 0.000 -1.019 0.000) 1.019 23.783 ( 0.000 -4.464 0.000) 4.464 23.783 ( 0.000 -4.464 0.000) 4.464 25.491 ( -0.000 0.078 0.000) 0.078 25.491 ( 0.000 0.078 0.000) 0.078 25.727 ( -0.000 2.546 -0.000) 2.546 25.727 ( 0.000 2.546 0.000) 2.546 ======================= Grid point 556 (100/105) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.229 ( 4.339 4.339 -15.429) 16.604 4.229 ( 4.339 4.339 15.429) 16.604 4.655 ( 18.721 18.721 -7.821) 27.606 4.655 ( 18.721 18.721 7.821) 27.606 5.557 ( -3.235 -3.235 -5.339) 7.032 5.557 ( -3.235 -3.235 5.339) 7.032 6.615 ( -11.717 -11.717 -18.333) 24.712 6.615 ( -11.717 -11.717 18.333) 24.712 7.864 ( 5.961 5.961 -10.477) 13.447 7.864 ( 5.961 5.961 10.477) 13.447 8.431 ( -5.217 -5.217 -8.097) 10.954 8.431 ( -5.217 -5.217 8.097) 10.954 8.896 ( 0.129 0.129 -1.964) 1.973 8.896 ( 0.129 0.129 1.964) 1.973 9.774 ( 0.581 0.581 -6.802) 6.851 9.774 ( 0.581 0.581 6.802) 6.851 10.005 ( -0.603 -0.603 -11.182) 11.215 10.005 ( -0.603 -0.603 11.182) 11.215 10.928 ( -9.241 -9.241 -12.784) 18.282 10.928 ( -9.241 -9.241 12.784) 18.282 11.274 ( -7.631 -7.631 -9.314) 14.255 11.274 ( -7.631 -7.631 9.314) 14.255 11.820 ( -8.779 -8.779 -8.477) 15.033 11.820 ( -8.779 -8.779 8.477) 15.033 13.756 ( 9.775 9.775 -7.354) 15.658 13.756 ( 9.775 9.775 7.354) 15.658 14.035 ( 4.760 4.760 -2.611) 7.221 14.035 ( 4.760 4.760 2.611) 7.221 14.798 ( 3.497 3.497 -1.384) 5.135 14.798 ( 3.497 3.497 1.384) 5.135 15.840 ( -1.721 -1.721 -7.755) 8.128 15.840 ( -1.721 -1.721 7.755) 8.128 16.973 ( 3.822 3.822 -2.918) 6.143 16.973 ( 3.822 3.822 2.918) 6.143 17.905 ( -12.304 -12.304 -7.577) 18.978 17.905 ( -12.304 -12.304 7.577) 18.978 19.817 ( 17.546 17.546 -4.141) 25.157 19.817 ( 17.546 17.546 4.141) 25.157 21.166 ( 6.715 6.715 -5.846) 11.151 21.166 ( 6.715 6.715 5.846) 11.151 23.348 ( -0.079 -0.079 -0.836) 0.843 23.348 ( -0.079 -0.079 0.836) 0.843 23.785 ( -4.050 -4.050 -0.039) 5.727 23.785 ( -4.050 -4.050 0.039) 5.727 25.180 ( 9.553 9.553 -7.458) 15.431 25.180 ( 9.553 9.553 7.458) 15.431 26.001 ( -5.776 -5.776 -15.438) 17.466 26.001 ( -5.776 -5.776 15.438) 17.466 ======================= Grid point 558 (101/105) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.357 ( 9.600 0.470 -9.145) 13.267 4.357 ( 9.600 0.470 9.145) 13.267 4.898 ( 0.626 9.333 -1.180) 9.428 4.898 ( 0.626 9.333 1.180) 9.428 5.539 ( 5.547 -5.839 -10.496) 13.230 5.539 ( 5.547 -5.839 10.496) 13.230 6.471 ( -5.494 1.968 -13.959) 15.130 6.471 ( -5.494 1.968 13.959) 15.130 7.890 ( 1.294 3.821 -7.340) 8.375 7.890 ( 1.294 3.821 7.340) 8.375 8.397 ( -1.627 -2.969 -4.907) 5.962 8.397 ( -1.627 -2.969 4.907) 5.962 8.923 ( 2.914 -2.434 -5.700) 6.849 8.923 ( 2.914 -2.434 5.700) 6.849 9.576 ( -15.746 3.764 -16.644) 23.219 9.576 ( -15.746 3.764 16.644) 23.219 10.093 ( 6.968 1.074 -12.189) 14.081 10.093 ( 6.968 1.074 12.189) 14.081 10.765 ( -7.308 -14.183 -13.559) 20.938 10.765 ( -7.308 -14.183 13.559) 20.938 11.197 ( -0.643 -6.600 -7.020) 9.657 11.197 ( -0.643 -6.600 7.020) 9.657 11.695 ( -4.514 -9.394 -4.699) 11.432 11.695 ( -4.514 -9.394 4.699) 11.432 13.912 ( 6.151 7.842 -5.263) 11.271 13.912 ( 6.151 7.842 5.263) 11.271 14.092 ( 1.204 9.996 -2.453) 10.363 14.092 ( 1.204 9.996 2.453) 10.363 14.893 ( 5.215 3.099 -1.585) 6.270 14.893 ( 5.215 3.099 1.585) 6.270 15.789 ( -3.014 -2.383 -5.507) 6.714 15.789 ( -3.014 -2.383 5.507) 6.714 17.051 ( 3.909 2.064 -2.709) 5.185 17.051 ( 3.909 2.064 2.709) 5.185 17.699 ( -8.458 -16.052 -5.097) 18.847 17.699 ( -8.458 -16.052 5.097) 18.847 20.131 ( 13.443 20.237 -3.521) 24.549 20.131 ( 13.443 20.237 3.521) 24.549 21.217 ( -0.493 8.927 -4.357) 9.946 21.217 ( -0.493 8.927 4.357) 9.946 23.357 ( 0.814 0.297 -0.612) 1.061 23.357 ( 0.814 0.297 0.612) 1.061 23.715 ( -2.862 -4.901 -0.253) 5.681 23.715 ( -2.862 -4.901 0.253) 5.681 25.378 ( 10.301 5.538 -7.672) 13.987 25.378 ( 10.301 5.538 7.672) 13.987 25.869 ( -7.588 -2.208 -12.156) 14.499 25.869 ( -7.588 -2.208 12.156) 14.499 ======================= Grid point 560 (102/105) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.520 ( -0.000 -3.644 -0.000) 3.644 4.520 ( 0.000 -3.644 0.000) 3.644 4.794 ( -0.000 1.386 -0.000) 1.386 4.794 ( 0.000 1.386 0.000) 1.386 5.667 ( -0.000 0.207 0.000) 0.207 5.667 ( 0.000 0.207 0.000) 0.207 6.388 ( -0.000 8.281 -0.000) 8.281 6.388 ( 0.000 8.281 -0.000) 8.281 7.943 ( -0.000 -0.976 -0.000) 0.976 7.943 ( -0.000 -0.976 0.000) 0.976 8.346 ( 0.000 1.486 -0.000) 1.486 8.346 ( 0.000 1.486 0.000) 1.486 8.977 ( -0.000 -4.856 -0.000) 4.856 8.977 ( -0.000 -4.856 0.000) 4.856 9.379 ( 0.000 4.915 -0.000) 4.915 9.379 ( 0.000 4.915 0.000) 4.915 10.177 ( -0.000 1.488 0.000) 1.488 10.177 ( 0.000 1.488 0.000) 1.488 10.681 ( 0.000 -13.561 -0.000) 13.561 10.681 ( 0.000 -13.561 0.000) 13.561 11.201 ( 0.000 -8.413 -0.000) 8.413 11.201 ( 0.000 -8.413 -0.000) 8.413 11.649 ( -0.000 -9.041 0.000) 9.041 11.649 ( 0.000 -9.041 0.000) 9.041 13.977 ( 0.000 6.051 0.000) 6.051 13.977 ( 0.000 6.051 0.000) 6.051 14.097 ( 0.000 12.401 -0.000) 12.401 14.097 ( 0.000 12.401 0.000) 12.401 14.952 ( -0.000 4.248 0.000) 4.248 14.952 ( 0.000 4.248 0.000) 4.248 15.753 ( 0.000 -3.292 0.000) 3.292 15.753 ( 0.000 -3.292 0.000) 3.292 17.097 ( 0.000 1.724 0.000) 1.724 17.097 ( 0.000 1.724 0.000) 1.724 17.609 ( 0.000 -17.631 0.000) 17.631 17.609 ( 0.000 -17.631 0.000) 17.631 20.274 ( -0.000 21.683 -0.000) 21.683 20.274 ( -0.000 21.683 0.000) 21.683 21.200 ( 0.000 9.111 0.000) 9.111 21.200 ( 0.000 9.111 0.000) 9.111 23.367 ( 0.000 0.676 0.000) 0.676 23.367 ( 0.000 0.676 0.000) 0.676 23.686 ( 0.000 -5.439 0.000) 5.439 23.686 ( 0.000 -5.439 0.000) 5.439 25.514 ( -0.000 2.461 0.000) 2.461 25.514 ( 0.000 2.461 0.000) 2.461 25.761 ( -0.000 0.717 -0.000) 0.717 25.761 ( 0.000 0.717 0.000) 0.717 ======================= Grid point 580 (103/105) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.389 ( 3.898 3.898 -5.741) 7.960 4.389 ( 3.898 3.898 5.741) 7.960 4.844 ( -11.581 -11.581 -2.284) 16.536 4.844 ( -11.581 -11.581 2.284) 16.536 5.689 ( 16.838 16.838 -10.607) 26.068 5.689 ( 16.838 16.838 10.607) 26.068 6.530 ( 0.675 0.675 -8.821) 8.873 6.530 ( 0.675 0.675 8.821) 8.873 7.896 ( 0.589 0.589 -2.112) 2.270 7.896 ( 0.589 0.589 2.112) 2.270 8.358 ( -2.456 -2.456 -4.235) 5.477 8.358 ( -2.456 -2.456 4.235) 5.477 8.921 ( 2.034 2.034 -10.061) 10.464 8.921 ( 2.034 2.034 10.061) 10.464 9.488 ( -11.342 -11.342 -15.368) 22.214 9.488 ( -11.342 -11.342 15.368) 22.214 10.145 ( 4.532 4.532 -15.208) 16.504 10.145 ( 4.532 4.532 15.208) 16.504 10.519 ( -9.701 -9.701 -15.927) 21.021 10.519 ( -9.701 -9.701 15.927) 21.021 11.159 ( 1.269 1.269 -5.390) 5.681 11.159 ( 1.269 1.269 5.390) 5.681 11.547 ( -6.058 -6.058 -4.543) 9.697 11.547 ( -6.058 -6.058 4.543) 9.697 14.038 ( 5.278 5.278 -3.686) 8.324 14.038 ( 5.278 5.278 3.686) 8.324 14.216 ( 2.651 2.651 -0.959) 3.870 14.216 ( 2.651 2.651 0.959) 3.870 15.018 ( 8.591 8.591 -3.432) 12.625 15.018 ( 8.591 8.591 3.432) 12.625 15.709 ( -5.439 -5.439 -5.092) 9.224 15.709 ( -5.439 -5.439 5.092) 9.224 17.093 ( 2.391 2.391 -2.549) 4.235 17.093 ( 2.391 2.391 2.549) 4.235 17.443 ( -10.109 -10.109 -4.108) 14.874 17.443 ( -10.109 -10.109 4.108) 14.874 20.504 ( 16.804 16.804 -3.173) 23.975 20.504 ( 16.804 16.804 3.173) 23.975 21.283 ( -1.287 -1.287 -3.578) 4.014 21.283 ( -1.287 -1.287 3.578) 4.014 23.379 ( 1.749 1.749 -0.503) 2.524 23.379 ( 1.749 1.749 0.503) 2.524 23.625 ( -4.095 -4.095 -0.271) 5.798 23.625 ( -4.095 -4.095 0.271) 5.798 25.499 ( 6.494 6.494 -6.608) 11.315 25.499 ( 6.494 6.494 6.608) 11.315 25.808 ( -4.034 -4.034 -9.217) 10.839 25.808 ( -4.034 -4.034 9.217) 10.839 ======================= Grid point 582 (104/105) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.473 ( -0.000 -0.597 -0.000) 0.597 4.473 ( 0.000 -0.597 0.000) 0.597 4.668 ( -0.000 -9.806 -0.000) 9.806 4.668 ( 0.000 -9.806 0.000) 9.806 5.916 ( -0.000 20.269 0.000) 20.269 5.916 ( 0.000 20.269 0.000) 20.269 6.494 ( -0.000 -0.684 -0.000) 0.684 6.494 ( 0.000 -0.684 0.000) 0.684 7.939 ( -0.000 3.669 0.000) 3.669 7.939 ( -0.000 3.669 0.000) 3.669 8.305 ( 0.000 -6.046 -0.000) 6.046 8.305 ( 0.000 -6.046 0.000) 6.046 8.963 ( -0.000 3.364 0.000) 3.364 8.963 ( -0.000 3.364 0.000) 3.364 9.326 ( 0.000 -9.859 -0.000) 9.859 9.326 ( 0.000 -9.859 0.000) 9.859 10.214 ( 0.000 2.309 -0.000) 2.309 10.214 ( 0.000 2.309 0.000) 2.309 10.411 ( 0.000 -11.016 -0.000) 11.016 10.411 ( 0.000 -11.016 0.000) 11.016 11.186 ( -0.000 4.490 -0.000) 4.490 11.186 ( 0.000 4.490 0.000) 4.490 11.480 ( 0.000 -8.608 0.000) 8.608 11.480 ( 0.000 -8.608 0.000) 8.608 14.097 ( 0.000 6.029 0.000) 6.029 14.097 ( 0.000 6.029 0.000) 6.029 14.230 ( 0.000 1.648 -0.000) 1.648 14.230 ( 0.000 1.648 0.000) 1.648 15.129 ( -0.000 13.182 0.000) 13.182 15.129 ( 0.000 13.182 0.000) 13.182 15.635 ( -0.000 -9.133 0.000) 9.133 15.635 ( 0.000 -9.133 0.000) 9.133 17.127 ( -0.000 1.831 0.000) 1.831 17.127 ( 0.000 1.831 0.000) 1.831 17.333 ( -0.000 -10.767 0.000) 10.767 17.333 ( 0.000 -10.767 0.000) 10.767 20.694 ( -0.000 20.839 0.000) 20.839 20.694 ( 0.000 20.839 0.000) 20.839 21.244 ( 0.000 -4.421 0.000) 4.421 21.244 ( 0.000 -4.421 0.000) 4.421 23.403 ( -0.000 3.013 0.000) 3.013 23.403 ( 0.000 3.013 0.000) 3.013 23.579 ( 0.000 -5.472 0.000) 5.472 23.579 ( 0.000 -5.472 0.000) 5.472 25.585 ( 0.000 4.629 -0.000) 4.629 25.585 ( 0.000 4.629 0.000) 4.629 25.747 ( -0.000 -2.257 -0.000) 2.257 25.747 ( 0.000 -2.257 0.000) 2.257 ======================= Grid point 614 (105/105) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.515 ( -2.649 -2.649 -2.102) 4.296 4.515 ( -2.649 -2.649 -2.102) 4.296 4.515 ( 2.649 2.649 2.102) 4.296 4.515 ( 2.649 2.649 2.102) 4.296 6.306 ( -11.220 -11.220 -0.982) 15.898 6.306 ( -11.220 -11.220 -0.982) 15.898 6.306 ( 11.220 11.220 0.982) 15.898 6.306 ( 11.220 11.220 0.982) 15.898 8.116 ( -7.940 -7.940 -0.535) 11.242 8.116 ( -7.940 -7.940 -0.535) 11.242 8.116 ( 7.940 7.940 0.535) 11.242 8.116 ( 7.940 7.940 0.535) 11.242 9.100 ( -3.395 -3.395 -12.812) 13.682 9.100 ( -3.395 -3.395 -12.812) 13.682 9.100 ( 3.395 3.395 12.812) 13.682 9.100 ( 3.395 3.395 12.812) 13.682 10.274 ( -0.417 -0.417 -21.470) 21.478 10.274 ( -0.417 -0.417 -21.470) 21.478 10.274 ( 0.417 0.417 21.470) 21.478 10.274 ( 0.417 0.417 21.470) 21.478 11.316 ( -5.252 -5.252 -0.386) 7.438 11.316 ( -5.252 -5.252 -0.386) 7.438 11.316 ( 5.252 5.252 0.386) 7.438 11.316 ( 5.252 5.252 0.386) 7.438 14.198 ( -2.699 -2.699 -0.007) 3.817 14.198 ( -2.699 -2.699 -0.007) 3.817 14.198 ( 2.699 2.699 0.007) 3.817 14.198 ( 2.699 2.699 0.007) 3.817 15.406 ( -8.876 -8.876 -1.232) 12.612 15.406 ( -8.876 -8.876 -1.232) 12.612 15.406 ( 8.876 8.876 1.232) 12.612 15.406 ( 8.876 8.876 1.232) 12.612 17.186 ( -1.999 -1.999 -3.537) 4.527 17.186 ( -1.999 -1.999 -3.537) 4.527 17.186 ( 1.999 1.999 3.537) 4.527 17.186 ( 1.999 1.999 3.537) 4.527 21.049 ( -7.810 -7.810 -5.733) 12.444 21.049 ( -7.810 -7.810 -5.733) 12.444 21.049 ( 7.810 7.810 5.733) 12.444 21.049 ( 7.810 7.810 5.733) 12.444 23.479 ( -2.955 -2.955 -0.407) 4.199 23.479 ( -2.955 -2.955 -0.407) 4.199 23.479 ( 2.955 2.955 0.407) 4.199 23.479 ( 2.955 2.955 0.407) 4.199 25.678 ( -1.064 -1.064 -8.629) 8.759 25.678 ( -1.064 -1.064 -8.629) 8.759 25.678 ( 1.064 1.064 8.629) 8.759 25.678 ( 1.064 1.064 8.629) 8.759 =================== 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 3/38400 10.0 6418.123 6418.123 7247.405 0.000 0.000 0.000 3/38400 20.0 5302.137 5302.137 5317.274 0.000 0.000 0.000 3/38400 30.0 2307.911 2307.911 2332.324 0.000 0.000 0.000 3/38400 40.0 1089.968 1089.968 1160.252 0.000 0.000 0.000 3/38400 50.0 585.482 585.482 644.397 0.000 0.000 0.000 3/38400 60.0 351.786 351.786 396.133 0.000 0.000 0.000 3/38400 70.0 231.236 231.236 264.993 0.000 0.000 0.000 3/38400 80.0 162.897 162.897 189.415 0.000 0.000 0.000 3/38400 90.0 121.082 121.082 142.567 0.000 0.000 0.000 3/38400 100.0 93.900 93.900 111.766 0.000 0.000 0.000 3/38400 110.0 75.354 75.354 90.526 0.000 0.000 0.000 3/38400 120.0 62.186 62.186 75.294 0.000 0.000 0.000 3/38400 130.0 52.520 52.520 64.005 0.000 0.000 0.000 3/38400 140.0 45.221 45.221 55.403 0.000 0.000 0.000 3/38400 150.0 39.571 39.571 48.691 0.000 0.000 0.000 3/38400 160.0 35.104 35.104 43.345 0.000 0.000 0.000 3/38400 170.0 31.504 31.504 39.009 0.000 0.000 0.000 3/38400 180.0 28.557 28.557 35.436 0.000 0.000 0.000 3/38400 190.0 26.107 26.107 32.452 0.000 0.000 0.000 3/38400 200.0 24.044 24.044 29.927 0.000 0.000 0.000 3/38400 210.0 22.287 22.287 27.768 0.000 0.000 0.000 3/38400 220.0 20.775 20.775 25.903 0.000 0.000 0.000 3/38400 230.0 19.461 19.461 24.277 0.000 0.000 0.000 3/38400 240.0 18.309 18.309 22.849 0.000 0.000 0.000 3/38400 250.0 17.293 17.293 21.585 0.000 0.000 0.000 3/38400 260.0 16.389 16.389 20.459 0.000 0.000 0.000 3/38400 270.0 15.580 15.580 19.450 0.000 0.000 0.000 3/38400 280.0 14.852 14.852 18.540 0.000 0.000 0.000 3/38400 290.0 14.193 14.193 17.716 0.000 0.000 0.000 3/38400 300.0 13.594 13.594 16.966 0.000 0.000 0.000 3/38400 310.0 13.047 13.047 16.280 0.000 0.000 0.000 3/38400 320.0 12.546 12.546 15.650 0.000 0.000 0.000 3/38400 330.0 12.084 12.084 15.071 0.000 0.000 0.000 3/38400 340.0 11.657 11.657 14.535 0.000 0.000 0.000 3/38400 350.0 11.261 11.261 14.038 0.000 0.000 0.000 3/38400 360.0 10.894 10.894 13.576 0.000 0.000 0.000 3/38400 370.0 10.551 10.551 13.145 0.000 0.000 0.000 3/38400 380.0 10.230 10.230 12.742 0.000 0.000 0.000 3/38400 390.0 9.930 9.930 12.365 0.000 0.000 0.000 3/38400 400.0 9.648 9.648 12.011 0.000 0.000 0.000 3/38400 410.0 9.382 9.382 11.677 0.000 0.000 0.000 3/38400 420.0 9.132 9.132 11.363 0.000 0.000 0.000 3/38400 430.0 8.895 8.895 11.065 0.000 0.000 0.000 3/38400 440.0 8.671 8.671 10.784 0.000 0.000 0.000 3/38400 450.0 8.459 8.459 10.518 0.000 0.000 0.000 3/38400 460.0 8.257 8.257 10.265 0.000 0.000 0.000 3/38400 470.0 8.066 8.066 10.024 0.000 0.000 0.000 3/38400 480.0 7.883 7.883 9.795 0.000 0.000 0.000 3/38400 490.0 7.709 7.709 9.577 0.000 0.000 0.000 3/38400 500.0 7.543 7.543 9.369 0.000 0.000 0.000 3/38400 510.0 7.384 7.384 9.170 0.000 0.000 0.000 3/38400 520.0 7.232 7.232 8.979 0.000 0.000 0.000 3/38400 530.0 7.086 7.086 8.797 0.000 0.000 0.000 3/38400 540.0 6.947 6.947 8.622 0.000 0.000 0.000 3/38400 550.0 6.813 6.813 8.454 0.000 0.000 0.000 3/38400 560.0 6.684 6.684 8.293 0.000 0.000 0.000 3/38400 570.0 6.560 6.560 8.138 0.000 0.000 0.000 3/38400 580.0 6.441 6.441 7.989 0.000 0.000 0.000 3/38400 590.0 6.327 6.327 7.846 0.000 0.000 0.000 3/38400 600.0 6.216 6.216 7.708 0.000 0.000 0.000 3/38400 610.0 6.109 6.109 7.575 0.000 0.000 0.000 3/38400 620.0 6.006 6.006 7.446 0.000 0.000 0.000 3/38400 630.0 5.907 5.907 7.322 0.000 0.000 0.000 3/38400 640.0 5.811 5.811 7.202 0.000 0.000 0.000 3/38400 650.0 5.718 5.718 7.086 0.000 0.000 0.000 3/38400 660.0 5.628 5.628 6.974 0.000 0.000 0.000 3/38400 670.0 5.541 5.541 6.865 0.000 0.000 0.000 3/38400 680.0 5.457 5.457 6.760 0.000 0.000 0.000 3/38400 690.0 5.375 5.375 6.658 0.000 0.000 0.000 3/38400 700.0 5.296 5.296 6.559 0.000 0.000 0.000 3/38400 710.0 5.219 5.219 6.464 0.000 0.000 0.000 3/38400 720.0 5.144 5.144 6.371 0.000 0.000 0.000 3/38400 730.0 5.072 5.072 6.280 0.000 0.000 0.000 3/38400 740.0 5.001 5.001 6.192 0.000 0.000 0.000 3/38400 750.0 4.933 4.933 6.107 0.000 0.000 0.000 3/38400 760.0 4.866 4.866 6.024 0.000 0.000 0.000 3/38400 770.0 4.801 4.801 5.944 0.000 0.000 0.000 3/38400 780.0 4.738 4.738 5.865 0.000 0.000 0.000 3/38400 790.0 4.677 4.677 5.789 0.000 0.000 0.000 3/38400 800.0 4.617 4.617 5.714 0.000 0.000 0.000 3/38400 810.0 4.559 4.559 5.642 0.000 0.000 0.000 3/38400 820.0 4.502 4.502 5.571 0.000 0.000 0.000 3/38400 830.0 4.447 4.447 5.503 0.000 0.000 0.000 3/38400 840.0 4.393 4.393 5.436 0.000 0.000 0.000 3/38400 850.0 4.340 4.340 5.370 0.000 0.000 0.000 3/38400 860.0 4.289 4.289 5.306 0.000 0.000 0.000 3/38400 870.0 4.239 4.239 5.244 0.000 0.000 0.000 3/38400 880.0 4.190 4.190 5.183 0.000 0.000 0.000 3/38400 890.0 4.142 4.142 5.123 0.000 0.000 0.000 3/38400 900.0 4.095 4.095 5.065 0.000 0.000 0.000 3/38400 910.0 4.049 4.049 5.009 0.000 0.000 0.000 3/38400 920.0 4.005 4.005 4.953 0.000 0.000 0.000 3/38400 930.0 3.961 3.961 4.899 0.000 0.000 0.000 3/38400 940.0 3.918 3.918 4.846 0.000 0.000 0.000 3/38400 950.0 3.876 3.876 4.794 0.000 0.000 0.000 3/38400 960.0 3.835 3.835 4.743 0.000 0.000 0.000 3/38400 970.0 3.795 3.795 4.693 0.000 0.000 0.000 3/38400 980.0 3.756 3.756 4.645 0.000 0.000 0.000 3/38400 990.0 3.718 3.718 4.597 0.000 0.000 0.000 3/38400 1000.0 3.680 3.680 4.550 0.000 0.000 0.000 3/38400 Thermal conductivity related properties were written into "kappa-m10108.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:34:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|