----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:04:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.355184190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.584057650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.600051150000000 Atomic positions (fractional): *1 Bi 0.70695842296607 0.75000000000000 0.10278665782853 208.980 2 Bi 0.79304157703393 0.25000000000000 0.60278665782853 208.980 3 Bi 0.20695842296607 0.75000000000000 0.39721334217147 208.980 4 Bi 0.29304157703393 0.25000000000000 0.89721334217147 208.980 *5 O 0.51094484552629 0.75000000000000 0.85871489853792 15.999 6 O 0.98905515447371 0.25000000000000 0.35871489853792 15.999 7 O 0.01094484552629 0.75000000000000 0.64128510146208 15.999 8 O 0.48905515447371 0.25000000000000 0.14128510146208 15.999 *9 F 0.64137225419736 0.75000000000000 0.42000939251842 18.998 10 F 0.85862774580264 0.25000000000000 0.92000939251842 18.998 11 F 0.14137225419736 0.75000000000000 0.07999060748158 18.998 12 F 0.35862774580264 0.25000000000000 0.57999060748158 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.355184190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.584057650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.600051150000000 Atomic positions (fractional): *1 Bi 0.70695842296607 0.75000000000000 0.10278665782853 208.980 > 1 2 Bi 0.79304157703393 0.25000000000000 0.60278665782853 208.980 > 2 3 Bi 0.20695842296607 0.75000000000000 0.39721334217147 208.980 > 3 4 Bi 0.29304157703393 0.25000000000000 0.89721334217147 208.980 > 4 *5 O 0.51094484552629 0.75000000000000 0.85871489853792 15.999 > 5 6 O 0.98905515447371 0.25000000000000 0.35871489853792 15.999 > 6 7 O 0.01094484552629 0.75000000000000 0.64128510146208 15.999 > 7 8 O 0.48905515447371 0.25000000000000 0.14128510146208 15.999 > 8 *9 F 0.64137225419736 0.75000000000000 0.42000939251842 18.998 > 9 10 F 0.85862774580264 0.25000000000000 0.92000939251842 18.998 > 10 11 F 0.14137225419736 0.75000000000000 0.07999060748158 18.998 > 11 12 F 0.35862774580264 0.25000000000000 0.57999060748158 18.998 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.710368380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.752172950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.200102299999999 Atomic positions (fractional): *1 Bi 0.35347921148304 0.25000000000000 0.05139332891426 208.980 > 1 2 Bi 0.85347921148304 0.25000000000000 0.05139332891426 208.980 > 1 3 Bi 0.35347921148304 0.58333333333333 0.05139332891426 208.980 > 1 4 Bi 0.85347921148304 0.58333333333333 0.05139332891426 208.980 > 1 5 Bi 0.35347921148304 0.91666666666667 0.05139332891426 208.980 > 1 6 Bi 0.85347921148304 0.91666666666667 0.05139332891426 208.980 > 1 7 Bi 0.35347921148304 0.25000000000000 0.55139332891426 208.980 > 1 8 Bi 0.85347921148304 0.25000000000000 0.55139332891426 208.980 > 1 9 Bi 0.35347921148304 0.58333333333333 0.55139332891426 208.980 > 1 10 Bi 0.85347921148304 0.58333333333333 0.55139332891426 208.980 > 1 11 Bi 0.35347921148304 0.91666666666667 0.55139332891426 208.980 > 1 12 Bi 0.85347921148304 0.91666666666667 0.55139332891426 208.980 > 1 13 Bi 0.39652078851696 0.08333333333333 0.30139332891426 208.980 > 2 14 Bi 0.89652078851696 0.08333333333333 0.30139332891426 208.980 > 2 15 Bi 0.39652078851696 0.41666666666667 0.30139332891426 208.980 > 2 16 Bi 0.89652078851696 0.41666666666667 0.30139332891426 208.980 > 2 17 Bi 0.39652078851696 0.75000000000000 0.30139332891426 208.980 > 2 18 Bi 0.89652078851696 0.75000000000000 0.30139332891426 208.980 > 2 19 Bi 0.39652078851696 0.08333333333333 0.80139332891426 208.980 > 2 20 Bi 0.89652078851696 0.08333333333333 0.80139332891426 208.980 > 2 21 Bi 0.39652078851696 0.41666666666667 0.80139332891426 208.980 > 2 22 Bi 0.89652078851696 0.41666666666667 0.80139332891426 208.980 > 2 23 Bi 0.39652078851696 0.75000000000000 0.80139332891426 208.980 > 2 24 Bi 0.89652078851696 0.75000000000000 0.80139332891426 208.980 > 2 25 Bi 0.10347921148304 0.25000000000000 0.19860667108574 208.980 > 3 26 Bi 0.60347921148304 0.25000000000000 0.19860667108574 208.980 > 3 27 Bi 0.10347921148304 0.58333333333333 0.19860667108574 208.980 > 3 28 Bi 0.60347921148304 0.58333333333333 0.19860667108574 208.980 > 3 29 Bi 0.10347921148304 0.91666666666667 0.19860667108574 208.980 > 3 30 Bi 0.60347921148304 0.91666666666667 0.19860667108574 208.980 > 3 31 Bi 0.10347921148304 0.25000000000000 0.69860667108574 208.980 > 3 32 Bi 0.60347921148304 0.25000000000000 0.69860667108574 208.980 > 3 33 Bi 0.10347921148304 0.58333333333333 0.69860667108574 208.980 > 3 34 Bi 0.60347921148304 0.58333333333333 0.69860667108574 208.980 > 3 35 Bi 0.10347921148304 0.91666666666667 0.69860667108574 208.980 > 3 36 Bi 0.60347921148304 0.91666666666667 0.69860667108574 208.980 > 3 37 Bi 0.14652078851696 0.08333333333333 0.44860667108574 208.980 > 4 38 Bi 0.64652078851696 0.08333333333333 0.44860667108574 208.980 > 4 39 Bi 0.14652078851696 0.41666666666667 0.44860667108574 208.980 > 4 40 Bi 0.64652078851696 0.41666666666667 0.44860667108574 208.980 > 4 41 Bi 0.14652078851696 0.75000000000000 0.44860667108574 208.980 > 4 42 Bi 0.64652078851696 0.75000000000000 0.44860667108574 208.980 > 4 43 Bi 0.14652078851696 0.08333333333333 0.94860667108574 208.980 > 4 44 Bi 0.64652078851696 0.08333333333333 0.94860667108574 208.980 > 4 45 Bi 0.14652078851696 0.41666666666667 0.94860667108574 208.980 > 4 46 Bi 0.64652078851696 0.41666666666667 0.94860667108574 208.980 > 4 47 Bi 0.14652078851696 0.75000000000000 0.94860667108574 208.980 > 4 48 Bi 0.64652078851696 0.75000000000000 0.94860667108574 208.980 > 4 *49 O 0.25547242276315 0.25000000000000 0.42935744926896 15.999 > 5 50 O 0.75547242276315 0.25000000000000 0.42935744926896 15.999 > 5 51 O 0.25547242276315 0.58333333333333 0.42935744926896 15.999 > 5 52 O 0.75547242276315 0.58333333333333 0.42935744926896 15.999 > 5 53 O 0.25547242276315 0.91666666666667 0.42935744926896 15.999 > 5 54 O 0.75547242276315 0.91666666666667 0.42935744926896 15.999 > 5 55 O 0.25547242276315 0.25000000000000 0.92935744926896 15.999 > 5 56 O 0.75547242276315 0.25000000000000 0.92935744926896 15.999 > 5 57 O 0.25547242276315 0.58333333333333 0.92935744926896 15.999 > 5 58 O 0.75547242276315 0.58333333333333 0.92935744926896 15.999 > 5 59 O 0.25547242276315 0.91666666666667 0.92935744926896 15.999 > 5 60 O 0.75547242276315 0.91666666666667 0.92935744926896 15.999 > 5 61 O 0.49452757723685 0.08333333333333 0.17935744926896 15.999 > 6 62 O 0.99452757723685 0.08333333333333 0.17935744926896 15.999 > 6 63 O 0.49452757723685 0.41666666666667 0.17935744926896 15.999 > 6 64 O 0.99452757723685 0.41666666666667 0.17935744926896 15.999 > 6 65 O 0.49452757723685 0.75000000000000 0.17935744926896 15.999 > 6 66 O 0.99452757723685 0.75000000000000 0.17935744926896 15.999 > 6 67 O 0.49452757723685 0.08333333333333 0.67935744926896 15.999 > 6 68 O 0.99452757723685 0.08333333333333 0.67935744926896 15.999 > 6 69 O 0.49452757723685 0.41666666666667 0.67935744926896 15.999 > 6 70 O 0.99452757723685 0.41666666666667 0.67935744926896 15.999 > 6 71 O 0.49452757723685 0.75000000000000 0.67935744926896 15.999 > 6 72 O 0.99452757723685 0.75000000000000 0.67935744926896 15.999 > 6 73 O 0.00547242276315 0.25000000000000 0.32064255073104 15.999 > 7 74 O 0.50547242276315 0.25000000000000 0.32064255073104 15.999 > 7 75 O 0.00547242276315 0.58333333333333 0.32064255073104 15.999 > 7 76 O 0.50547242276315 0.58333333333333 0.32064255073104 15.999 > 7 77 O 0.00547242276315 0.91666666666667 0.32064255073104 15.999 > 7 78 O 0.50547242276315 0.91666666666667 0.32064255073104 15.999 > 7 79 O 0.00547242276315 0.25000000000000 0.82064255073104 15.999 > 7 80 O 0.50547242276315 0.25000000000000 0.82064255073104 15.999 > 7 81 O 0.00547242276315 0.58333333333333 0.82064255073104 15.999 > 7 82 O 0.50547242276315 0.58333333333333 0.82064255073104 15.999 > 7 83 O 0.00547242276315 0.91666666666667 0.82064255073104 15.999 > 7 84 O 0.50547242276315 0.91666666666667 0.82064255073104 15.999 > 7 85 O 0.24452757723685 0.08333333333333 0.07064255073104 15.999 > 8 86 O 0.74452757723685 0.08333333333333 0.07064255073104 15.999 > 8 87 O 0.24452757723685 0.41666666666667 0.07064255073104 15.999 > 8 88 O 0.74452757723685 0.41666666666667 0.07064255073104 15.999 > 8 89 O 0.24452757723685 0.75000000000000 0.07064255073104 15.999 > 8 90 O 0.74452757723685 0.75000000000000 0.07064255073104 15.999 > 8 91 O 0.24452757723685 0.08333333333333 0.57064255073104 15.999 > 8 92 O 0.74452757723685 0.08333333333333 0.57064255073104 15.999 > 8 93 O 0.24452757723685 0.41666666666667 0.57064255073104 15.999 > 8 94 O 0.74452757723685 0.41666666666667 0.57064255073104 15.999 > 8 95 O 0.24452757723685 0.75000000000000 0.57064255073104 15.999 > 8 96 O 0.74452757723685 0.75000000000000 0.57064255073104 15.999 > 8 *97 F 0.32068612709868 0.25000000000000 0.21000469625921 18.998 > 9 98 F 0.82068612709868 0.25000000000000 0.21000469625921 18.998 > 9 99 F 0.32068612709868 0.58333333333333 0.21000469625921 18.998 > 9 100 F 0.82068612709868 0.58333333333333 0.21000469625921 18.998 > 9 101 F 0.32068612709868 0.91666666666667 0.21000469625921 18.998 > 9 102 F 0.82068612709868 0.91666666666667 0.21000469625921 18.998 > 9 103 F 0.32068612709868 0.25000000000000 0.71000469625921 18.998 > 9 104 F 0.82068612709868 0.25000000000000 0.71000469625921 18.998 > 9 105 F 0.32068612709868 0.58333333333333 0.71000469625921 18.998 > 9 106 F 0.82068612709868 0.58333333333333 0.71000469625921 18.998 > 9 107 F 0.32068612709868 0.91666666666667 0.71000469625921 18.998 > 9 108 F 0.82068612709868 0.91666666666667 0.71000469625921 18.998 > 9 109 F 0.42931387290132 0.08333333333333 0.46000469625921 18.998 > 10 110 F 0.92931387290132 0.08333333333333 0.46000469625921 18.998 > 10 111 F 0.42931387290132 0.41666666666667 0.46000469625921 18.998 > 10 112 F 0.92931387290132 0.41666666666667 0.46000469625921 18.998 > 10 113 F 0.42931387290132 0.75000000000000 0.46000469625921 18.998 > 10 114 F 0.92931387290132 0.75000000000000 0.46000469625921 18.998 > 10 115 F 0.42931387290132 0.08333333333333 0.96000469625921 18.998 > 10 116 F 0.92931387290132 0.08333333333333 0.96000469625921 18.998 > 10 117 F 0.42931387290132 0.41666666666667 0.96000469625921 18.998 > 10 118 F 0.92931387290132 0.41666666666667 0.96000469625921 18.998 > 10 119 F 0.42931387290132 0.75000000000000 0.96000469625921 18.998 > 10 120 F 0.92931387290132 0.75000000000000 0.96000469625921 18.998 > 10 121 F 0.07068612709868 0.25000000000000 0.03999530374079 18.998 > 11 122 F 0.57068612709868 0.25000000000000 0.03999530374079 18.998 > 11 123 F 0.07068612709868 0.58333333333333 0.03999530374079 18.998 > 11 124 F 0.57068612709868 0.58333333333333 0.03999530374079 18.998 > 11 125 F 0.07068612709868 0.91666666666667 0.03999530374079 18.998 > 11 126 F 0.57068612709868 0.91666666666667 0.03999530374079 18.998 > 11 127 F 0.07068612709868 0.25000000000000 0.53999530374079 18.998 > 11 128 F 0.57068612709868 0.25000000000000 0.53999530374079 18.998 > 11 129 F 0.07068612709868 0.58333333333333 0.53999530374079 18.998 > 11 130 F 0.57068612709868 0.58333333333333 0.53999530374079 18.998 > 11 131 F 0.07068612709868 0.91666666666667 0.53999530374079 18.998 > 11 132 F 0.57068612709868 0.91666666666667 0.53999530374079 18.998 > 11 133 F 0.17931387290132 0.08333333333333 0.28999530374079 18.998 > 12 134 F 0.67931387290132 0.08333333333333 0.28999530374079 18.998 > 12 135 F 0.17931387290132 0.41666666666667 0.28999530374079 18.998 > 12 136 F 0.67931387290132 0.41666666666667 0.28999530374079 18.998 > 12 137 F 0.17931387290132 0.75000000000000 0.28999530374079 18.998 > 12 138 F 0.67931387290132 0.75000000000000 0.28999530374079 18.998 > 12 139 F 0.17931387290132 0.08333333333333 0.78999530374079 18.998 > 12 140 F 0.67931387290132 0.08333333333333 0.78999530374079 18.998 > 12 141 F 0.17931387290132 0.41666666666667 0.78999530374079 18.998 > 12 142 F 0.67931387290132 0.41666666666667 0.78999530374079 18.998 > 12 143 F 0.17931387290132 0.75000000000000 0.78999530374079 18.998 > 12 144 F 0.67931387290132 0.75000000000000 0.78999530374079 18.998 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8339292 0.0000000 0.0000000 0.0000000 5.7325413 0.0000000 0.0000000 0.0000000 4.7319346 -------------------------- Born effective charges -------------------------- 1 Bi 3.9567357 0.0000000 0.3661623 0.0000000 4.9499200 0.0000000 0.2969535 0.0000000 4.1057993 2 Bi 3.9567357 0.0000000 -0.3661623 0.0000000 4.9499200 0.0000000 -0.2969535 0.0000000 4.1057993 3 Bi 3.9567357 0.0000000 -0.3661623 0.0000000 4.9499200 0.0000000 -0.2969535 0.0000000 4.1057993 4 Bi 3.9567357 0.0000000 0.3661623 0.0000000 4.9499200 0.0000000 0.2969535 0.0000000 4.1057993 5 O -2.3244274 0.0000000 -0.3155710 0.0000000 -3.1968648 0.0000000 -0.2902680 0.0000000 -1.9350054 6 O -2.3244274 0.0000000 0.3155710 0.0000000 -3.1968648 0.0000000 0.2902680 0.0000000 -1.9350054 7 O -2.3244274 0.0000000 0.3155710 0.0000000 -3.1968648 0.0000000 0.2902680 0.0000000 -1.9350054 8 O -2.3244274 0.0000000 -0.3155710 0.0000000 -3.1968648 0.0000000 -0.2902680 0.0000000 -1.9350054 9 F -1.6323083 0.0000000 -0.7085530 0.0000000 -1.7530551 0.0000000 -0.1945787 0.0000000 -2.1707940 10 F -1.6323083 0.0000000 0.7085530 0.0000000 -1.7530551 0.0000000 0.1945787 0.0000000 -2.1707940 11 F -1.6323083 0.0000000 0.7085530 0.0000000 -1.7530551 0.0000000 0.1945787 0.0000000 -2.1707940 12 F -1.6323083 0.0000000 -0.7085530 0.0000000 -1.7530551 0.0000000 -0.1945787 0.0000000 -2.1707940 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.521 Solver_block: 200 / 240 - Time: 1.551 Solver_block: 240 / 240 - Time: 0.694 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.789 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:04:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:04:36]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.355184190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.584057650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.600051150000000 Atomic positions (fractional): 1 Bi 0.70695842296607 0.75000000000000 0.10278665782853 208.980 2 Bi 0.79304157703393 0.25000000000000 0.60278665782853 208.980 3 Bi 0.20695842296607 0.75000000000000 0.39721334217147 208.980 4 Bi 0.29304157703393 0.25000000000000 0.89721334217147 208.980 5 O 0.51094484552629 0.75000000000000 0.85871489853792 15.999 6 O 0.98905515447371 0.25000000000000 0.35871489853792 15.999 7 O 0.01094484552629 0.75000000000000 0.64128510146208 15.999 8 O 0.48905515447371 0.25000000000000 0.14128510146208 15.999 9 F 0.64137225419736 0.75000000000000 0.42000939251842 18.998 10 F 0.85862774580264 0.25000000000000 0.92000939251842 18.998 11 F 0.14137225419736 0.75000000000000 0.07999060748158 18.998 12 F 0.35862774580264 0.25000000000000 0.57999060748158 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.710368380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.752172950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.200102299999999 Atomic positions (fractional): 1 Bi 0.35347921148304 0.25000000000000 0.05139332891426 208.980 > 1 2 Bi 0.85347921148304 0.25000000000000 0.05139332891426 208.980 > 1 3 Bi 0.35347921148304 0.58333333333333 0.05139332891426 208.980 > 1 4 Bi 0.85347921148304 0.58333333333333 0.05139332891426 208.980 > 1 5 Bi 0.35347921148304 0.91666666666667 0.05139332891426 208.980 > 1 6 Bi 0.85347921148304 0.91666666666667 0.05139332891426 208.980 > 1 7 Bi 0.35347921148304 0.25000000000000 0.55139332891426 208.980 > 1 8 Bi 0.85347921148304 0.25000000000000 0.55139332891426 208.980 > 1 9 Bi 0.35347921148304 0.58333333333333 0.55139332891426 208.980 > 1 10 Bi 0.85347921148304 0.58333333333333 0.55139332891426 208.980 > 1 11 Bi 0.35347921148304 0.91666666666667 0.55139332891426 208.980 > 1 12 Bi 0.85347921148304 0.91666666666667 0.55139332891426 208.980 > 1 13 Bi 0.39652078851696 0.08333333333333 0.30139332891426 208.980 > 13 14 Bi 0.89652078851696 0.08333333333333 0.30139332891426 208.980 > 13 15 Bi 0.39652078851696 0.41666666666667 0.30139332891426 208.980 > 13 16 Bi 0.89652078851696 0.41666666666667 0.30139332891426 208.980 > 13 17 Bi 0.39652078851696 0.75000000000000 0.30139332891426 208.980 > 13 18 Bi 0.89652078851696 0.75000000000000 0.30139332891426 208.980 > 13 19 Bi 0.39652078851696 0.08333333333333 0.80139332891426 208.980 > 13 20 Bi 0.89652078851696 0.08333333333333 0.80139332891426 208.980 > 13 21 Bi 0.39652078851696 0.41666666666667 0.80139332891426 208.980 > 13 22 Bi 0.89652078851696 0.41666666666667 0.80139332891426 208.980 > 13 23 Bi 0.39652078851696 0.75000000000000 0.80139332891426 208.980 > 13 24 Bi 0.89652078851696 0.75000000000000 0.80139332891426 208.980 > 13 25 Bi 0.10347921148304 0.25000000000000 0.19860667108574 208.980 > 25 26 Bi 0.60347921148304 0.25000000000000 0.19860667108574 208.980 > 25 27 Bi 0.10347921148304 0.58333333333333 0.19860667108574 208.980 > 25 28 Bi 0.60347921148304 0.58333333333333 0.19860667108574 208.980 > 25 29 Bi 0.10347921148304 0.91666666666667 0.19860667108574 208.980 > 25 30 Bi 0.60347921148304 0.91666666666667 0.19860667108574 208.980 > 25 31 Bi 0.10347921148304 0.25000000000000 0.69860667108574 208.980 > 25 32 Bi 0.60347921148304 0.25000000000000 0.69860667108574 208.980 > 25 33 Bi 0.10347921148304 0.58333333333333 0.69860667108574 208.980 > 25 34 Bi 0.60347921148304 0.58333333333333 0.69860667108574 208.980 > 25 35 Bi 0.10347921148304 0.91666666666667 0.69860667108574 208.980 > 25 36 Bi 0.60347921148304 0.91666666666667 0.69860667108574 208.980 > 25 37 Bi 0.14652078851696 0.08333333333333 0.44860667108574 208.980 > 37 38 Bi 0.64652078851696 0.08333333333333 0.44860667108574 208.980 > 37 39 Bi 0.14652078851696 0.41666666666667 0.44860667108574 208.980 > 37 40 Bi 0.64652078851696 0.41666666666667 0.44860667108574 208.980 > 37 41 Bi 0.14652078851696 0.75000000000000 0.44860667108574 208.980 > 37 42 Bi 0.64652078851696 0.75000000000000 0.44860667108574 208.980 > 37 43 Bi 0.14652078851696 0.08333333333333 0.94860667108574 208.980 > 37 44 Bi 0.64652078851696 0.08333333333333 0.94860667108574 208.980 > 37 45 Bi 0.14652078851696 0.41666666666667 0.94860667108574 208.980 > 37 46 Bi 0.64652078851696 0.41666666666667 0.94860667108574 208.980 > 37 47 Bi 0.14652078851696 0.75000000000000 0.94860667108574 208.980 > 37 48 Bi 0.64652078851696 0.75000000000000 0.94860667108574 208.980 > 37 49 O 0.25547242276315 0.25000000000000 0.42935744926896 15.999 > 49 50 O 0.75547242276315 0.25000000000000 0.42935744926896 15.999 > 49 51 O 0.25547242276315 0.58333333333333 0.42935744926896 15.999 > 49 52 O 0.75547242276315 0.58333333333333 0.42935744926896 15.999 > 49 53 O 0.25547242276315 0.91666666666667 0.42935744926896 15.999 > 49 54 O 0.75547242276315 0.91666666666667 0.42935744926896 15.999 > 49 55 O 0.25547242276315 0.25000000000000 0.92935744926896 15.999 > 49 56 O 0.75547242276315 0.25000000000000 0.92935744926896 15.999 > 49 57 O 0.25547242276315 0.58333333333333 0.92935744926896 15.999 > 49 58 O 0.75547242276315 0.58333333333333 0.92935744926896 15.999 > 49 59 O 0.25547242276315 0.91666666666667 0.92935744926896 15.999 > 49 60 O 0.75547242276315 0.91666666666667 0.92935744926896 15.999 > 49 61 O 0.49452757723685 0.08333333333333 0.17935744926896 15.999 > 61 62 O 0.99452757723685 0.08333333333333 0.17935744926896 15.999 > 61 63 O 0.49452757723685 0.41666666666667 0.17935744926896 15.999 > 61 64 O 0.99452757723685 0.41666666666667 0.17935744926896 15.999 > 61 65 O 0.49452757723685 0.75000000000000 0.17935744926896 15.999 > 61 66 O 0.99452757723685 0.75000000000000 0.17935744926896 15.999 > 61 67 O 0.49452757723685 0.08333333333333 0.67935744926896 15.999 > 61 68 O 0.99452757723685 0.08333333333333 0.67935744926896 15.999 > 61 69 O 0.49452757723685 0.41666666666667 0.67935744926896 15.999 > 61 70 O 0.99452757723685 0.41666666666667 0.67935744926896 15.999 > 61 71 O 0.49452757723685 0.75000000000000 0.67935744926896 15.999 > 61 72 O 0.99452757723685 0.75000000000000 0.67935744926896 15.999 > 61 73 O 0.00547242276315 0.25000000000000 0.32064255073104 15.999 > 73 74 O 0.50547242276315 0.25000000000000 0.32064255073104 15.999 > 73 75 O 0.00547242276315 0.58333333333333 0.32064255073104 15.999 > 73 76 O 0.50547242276315 0.58333333333333 0.32064255073104 15.999 > 73 77 O 0.00547242276315 0.91666666666667 0.32064255073104 15.999 > 73 78 O 0.50547242276315 0.91666666666667 0.32064255073104 15.999 > 73 79 O 0.00547242276315 0.25000000000000 0.82064255073104 15.999 > 73 80 O 0.50547242276315 0.25000000000000 0.82064255073104 15.999 > 73 81 O 0.00547242276315 0.58333333333333 0.82064255073104 15.999 > 73 82 O 0.50547242276315 0.58333333333333 0.82064255073104 15.999 > 73 83 O 0.00547242276315 0.91666666666667 0.82064255073104 15.999 > 73 84 O 0.50547242276315 0.91666666666667 0.82064255073104 15.999 > 73 85 O 0.24452757723685 0.08333333333333 0.07064255073104 15.999 > 85 86 O 0.74452757723685 0.08333333333333 0.07064255073104 15.999 > 85 87 O 0.24452757723685 0.41666666666667 0.07064255073104 15.999 > 85 88 O 0.74452757723685 0.41666666666667 0.07064255073104 15.999 > 85 89 O 0.24452757723685 0.75000000000000 0.07064255073104 15.999 > 85 90 O 0.74452757723685 0.75000000000000 0.07064255073104 15.999 > 85 91 O 0.24452757723685 0.08333333333333 0.57064255073104 15.999 > 85 92 O 0.74452757723685 0.08333333333333 0.57064255073104 15.999 > 85 93 O 0.24452757723685 0.41666666666667 0.57064255073104 15.999 > 85 94 O 0.74452757723685 0.41666666666667 0.57064255073104 15.999 > 85 95 O 0.24452757723685 0.75000000000000 0.57064255073104 15.999 > 85 96 O 0.74452757723685 0.75000000000000 0.57064255073104 15.999 > 85 97 F 0.32068612709868 0.25000000000000 0.21000469625921 18.998 > 97 98 F 0.82068612709868 0.25000000000000 0.21000469625921 18.998 > 97 99 F 0.32068612709868 0.58333333333333 0.21000469625921 18.998 > 97 100 F 0.82068612709868 0.58333333333333 0.21000469625921 18.998 > 97 101 F 0.32068612709868 0.91666666666667 0.21000469625921 18.998 > 97 102 F 0.82068612709868 0.91666666666667 0.21000469625921 18.998 > 97 103 F 0.32068612709868 0.25000000000000 0.71000469625921 18.998 > 97 104 F 0.82068612709868 0.25000000000000 0.71000469625921 18.998 > 97 105 F 0.32068612709868 0.58333333333333 0.71000469625921 18.998 > 97 106 F 0.82068612709868 0.58333333333333 0.71000469625921 18.998 > 97 107 F 0.32068612709868 0.91666666666667 0.71000469625921 18.998 > 97 108 F 0.82068612709868 0.91666666666667 0.71000469625921 18.998 > 97 109 F 0.42931387290132 0.08333333333333 0.46000469625921 18.998 > 109 110 F 0.92931387290132 0.08333333333333 0.46000469625921 18.998 > 109 111 F 0.42931387290132 0.41666666666667 0.46000469625921 18.998 > 109 112 F 0.92931387290132 0.41666666666667 0.46000469625921 18.998 > 109 113 F 0.42931387290132 0.75000000000000 0.46000469625921 18.998 > 109 114 F 0.92931387290132 0.75000000000000 0.46000469625921 18.998 > 109 115 F 0.42931387290132 0.08333333333333 0.96000469625921 18.998 > 109 116 F 0.92931387290132 0.08333333333333 0.96000469625921 18.998 > 109 117 F 0.42931387290132 0.41666666666667 0.96000469625921 18.998 > 109 118 F 0.92931387290132 0.41666666666667 0.96000469625921 18.998 > 109 119 F 0.42931387290132 0.75000000000000 0.96000469625921 18.998 > 109 120 F 0.92931387290132 0.75000000000000 0.96000469625921 18.998 > 109 121 F 0.07068612709868 0.25000000000000 0.03999530374079 18.998 > 121 122 F 0.57068612709868 0.25000000000000 0.03999530374079 18.998 > 121 123 F 0.07068612709868 0.58333333333333 0.03999530374079 18.998 > 121 124 F 0.57068612709868 0.58333333333333 0.03999530374079 18.998 > 121 125 F 0.07068612709868 0.91666666666667 0.03999530374079 18.998 > 121 126 F 0.57068612709868 0.91666666666667 0.03999530374079 18.998 > 121 127 F 0.07068612709868 0.25000000000000 0.53999530374079 18.998 > 121 128 F 0.57068612709868 0.25000000000000 0.53999530374079 18.998 > 121 129 F 0.07068612709868 0.58333333333333 0.53999530374079 18.998 > 121 130 F 0.57068612709868 0.58333333333333 0.53999530374079 18.998 > 121 131 F 0.07068612709868 0.91666666666667 0.53999530374079 18.998 > 121 132 F 0.57068612709868 0.91666666666667 0.53999530374079 18.998 > 121 133 F 0.17931387290132 0.08333333333333 0.28999530374079 18.998 > 133 134 F 0.67931387290132 0.08333333333333 0.28999530374079 18.998 > 133 135 F 0.17931387290132 0.41666666666667 0.28999530374079 18.998 > 133 136 F 0.67931387290132 0.41666666666667 0.28999530374079 18.998 > 133 137 F 0.17931387290132 0.75000000000000 0.28999530374079 18.998 > 133 138 F 0.67931387290132 0.75000000000000 0.28999530374079 18.998 > 133 139 F 0.17931387290132 0.08333333333333 0.78999530374079 18.998 > 133 140 F 0.67931387290132 0.08333333333333 0.78999530374079 18.998 > 133 141 F 0.17931387290132 0.41666666666667 0.78999530374079 18.998 > 133 142 F 0.67931387290132 0.41666666666667 0.78999530374079 18.998 > 133 143 F 0.17931387290132 0.75000000000000 0.78999530374079 18.998 > 133 144 F 0.67931387290132 0.75000000000000 0.78999530374079 18.998 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8339292 0.0000000 0.0000000 0.0000000 5.7325413 0.0000000 0.0000000 0.0000000 4.7319346 -------------------------- Born effective charges -------------------------- 1 Bi 3.9567357 0.0000000 0.3661623 0.0000000 4.9499200 0.0000000 0.2969535 0.0000000 4.1057993 2 Bi 3.9567357 0.0000000 -0.3661623 0.0000000 4.9499200 0.0000000 -0.2969535 0.0000000 4.1057993 3 Bi 3.9567357 0.0000000 -0.3661623 0.0000000 4.9499200 0.0000000 -0.2969535 0.0000000 4.1057993 4 Bi 3.9567357 0.0000000 0.3661623 0.0000000 4.9499200 0.0000000 0.2969535 0.0000000 4.1057993 5 O -2.3244274 0.0000000 -0.3155710 0.0000000 -3.1968648 0.0000000 -0.2902680 0.0000000 -1.9350054 6 O -2.3244274 0.0000000 0.3155710 0.0000000 -3.1968648 0.0000000 0.2902680 0.0000000 -1.9350054 7 O -2.3244274 0.0000000 0.3155710 0.0000000 -3.1968648 0.0000000 0.2902680 0.0000000 -1.9350054 8 O -2.3244274 0.0000000 -0.3155710 0.0000000 -3.1968648 0.0000000 -0.2902680 0.0000000 -1.9350054 9 F -1.6323083 0.0000000 -0.7085530 0.0000000 -1.7530551 0.0000000 -0.1945787 0.0000000 -2.1707940 10 F -1.6323083 0.0000000 0.7085530 0.0000000 -1.7530551 0.0000000 0.1945787 0.0000000 -2.1707940 11 F -1.6323083 0.0000000 0.7085530 0.0000000 -1.7530551 0.0000000 0.1945787 0.0000000 -2.1707940 12 F -1.6323083 0.0000000 -0.7085530 0.0000000 -1.7530551 0.0000000 -0.1945787 0.0000000 -2.1707940 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:04:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:04:52]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.355184190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.584057650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.600051150000000 Atomic positions (fractional): 1 Bi 0.70695842296607 0.75000000000000 0.10278665782853 208.980 2 Bi 0.79304157703393 0.25000000000000 0.60278665782853 208.980 3 Bi 0.20695842296607 0.75000000000000 0.39721334217147 208.980 4 Bi 0.29304157703393 0.25000000000000 0.89721334217147 208.980 5 O 0.51094484552629 0.75000000000000 0.85871489853792 15.999 6 O 0.98905515447371 0.25000000000000 0.35871489853792 15.999 7 O 0.01094484552629 0.75000000000000 0.64128510146208 15.999 8 O 0.48905515447371 0.25000000000000 0.14128510146208 15.999 9 F 0.64137225419736 0.75000000000000 0.42000939251842 18.998 10 F 0.85862774580264 0.25000000000000 0.92000939251842 18.998 11 F 0.14137225419736 0.75000000000000 0.07999060748158 18.998 12 F 0.35862774580264 0.25000000000000 0.57999060748158 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.710368380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.752172950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.200102299999999 Atomic positions (fractional): 1 Bi 0.35347921148304 0.25000000000000 0.05139332891426 208.980 > 1 2 Bi 0.85347921148304 0.25000000000000 0.05139332891426 208.980 > 1 3 Bi 0.35347921148304 0.58333333333333 0.05139332891426 208.980 > 1 4 Bi 0.85347921148304 0.58333333333333 0.05139332891426 208.980 > 1 5 Bi 0.35347921148304 0.91666666666667 0.05139332891426 208.980 > 1 6 Bi 0.85347921148304 0.91666666666667 0.05139332891426 208.980 > 1 7 Bi 0.35347921148304 0.25000000000000 0.55139332891426 208.980 > 1 8 Bi 0.85347921148304 0.25000000000000 0.55139332891426 208.980 > 1 9 Bi 0.35347921148304 0.58333333333333 0.55139332891426 208.980 > 1 10 Bi 0.85347921148304 0.58333333333333 0.55139332891426 208.980 > 1 11 Bi 0.35347921148304 0.91666666666667 0.55139332891426 208.980 > 1 12 Bi 0.85347921148304 0.91666666666667 0.55139332891426 208.980 > 1 13 Bi 0.39652078851696 0.08333333333333 0.30139332891426 208.980 > 13 14 Bi 0.89652078851696 0.08333333333333 0.30139332891426 208.980 > 13 15 Bi 0.39652078851696 0.41666666666667 0.30139332891426 208.980 > 13 16 Bi 0.89652078851696 0.41666666666667 0.30139332891426 208.980 > 13 17 Bi 0.39652078851696 0.75000000000000 0.30139332891426 208.980 > 13 18 Bi 0.89652078851696 0.75000000000000 0.30139332891426 208.980 > 13 19 Bi 0.39652078851696 0.08333333333333 0.80139332891426 208.980 > 13 20 Bi 0.89652078851696 0.08333333333333 0.80139332891426 208.980 > 13 21 Bi 0.39652078851696 0.41666666666667 0.80139332891426 208.980 > 13 22 Bi 0.89652078851696 0.41666666666667 0.80139332891426 208.980 > 13 23 Bi 0.39652078851696 0.75000000000000 0.80139332891426 208.980 > 13 24 Bi 0.89652078851696 0.75000000000000 0.80139332891426 208.980 > 13 25 Bi 0.10347921148304 0.25000000000000 0.19860667108574 208.980 > 25 26 Bi 0.60347921148304 0.25000000000000 0.19860667108574 208.980 > 25 27 Bi 0.10347921148304 0.58333333333333 0.19860667108574 208.980 > 25 28 Bi 0.60347921148304 0.58333333333333 0.19860667108574 208.980 > 25 29 Bi 0.10347921148304 0.91666666666667 0.19860667108574 208.980 > 25 30 Bi 0.60347921148304 0.91666666666667 0.19860667108574 208.980 > 25 31 Bi 0.10347921148304 0.25000000000000 0.69860667108574 208.980 > 25 32 Bi 0.60347921148304 0.25000000000000 0.69860667108574 208.980 > 25 33 Bi 0.10347921148304 0.58333333333333 0.69860667108574 208.980 > 25 34 Bi 0.60347921148304 0.58333333333333 0.69860667108574 208.980 > 25 35 Bi 0.10347921148304 0.91666666666667 0.69860667108574 208.980 > 25 36 Bi 0.60347921148304 0.91666666666667 0.69860667108574 208.980 > 25 37 Bi 0.14652078851696 0.08333333333333 0.44860667108574 208.980 > 37 38 Bi 0.64652078851696 0.08333333333333 0.44860667108574 208.980 > 37 39 Bi 0.14652078851696 0.41666666666667 0.44860667108574 208.980 > 37 40 Bi 0.64652078851696 0.41666666666667 0.44860667108574 208.980 > 37 41 Bi 0.14652078851696 0.75000000000000 0.44860667108574 208.980 > 37 42 Bi 0.64652078851696 0.75000000000000 0.44860667108574 208.980 > 37 43 Bi 0.14652078851696 0.08333333333333 0.94860667108574 208.980 > 37 44 Bi 0.64652078851696 0.08333333333333 0.94860667108574 208.980 > 37 45 Bi 0.14652078851696 0.41666666666667 0.94860667108574 208.980 > 37 46 Bi 0.64652078851696 0.41666666666667 0.94860667108574 208.980 > 37 47 Bi 0.14652078851696 0.75000000000000 0.94860667108574 208.980 > 37 48 Bi 0.64652078851696 0.75000000000000 0.94860667108574 208.980 > 37 49 O 0.25547242276315 0.25000000000000 0.42935744926896 15.999 > 49 50 O 0.75547242276315 0.25000000000000 0.42935744926896 15.999 > 49 51 O 0.25547242276315 0.58333333333333 0.42935744926896 15.999 > 49 52 O 0.75547242276315 0.58333333333333 0.42935744926896 15.999 > 49 53 O 0.25547242276315 0.91666666666667 0.42935744926896 15.999 > 49 54 O 0.75547242276315 0.91666666666667 0.42935744926896 15.999 > 49 55 O 0.25547242276315 0.25000000000000 0.92935744926896 15.999 > 49 56 O 0.75547242276315 0.25000000000000 0.92935744926896 15.999 > 49 57 O 0.25547242276315 0.58333333333333 0.92935744926896 15.999 > 49 58 O 0.75547242276315 0.58333333333333 0.92935744926896 15.999 > 49 59 O 0.25547242276315 0.91666666666667 0.92935744926896 15.999 > 49 60 O 0.75547242276315 0.91666666666667 0.92935744926896 15.999 > 49 61 O 0.49452757723685 0.08333333333333 0.17935744926896 15.999 > 61 62 O 0.99452757723685 0.08333333333333 0.17935744926896 15.999 > 61 63 O 0.49452757723685 0.41666666666667 0.17935744926896 15.999 > 61 64 O 0.99452757723685 0.41666666666667 0.17935744926896 15.999 > 61 65 O 0.49452757723685 0.75000000000000 0.17935744926896 15.999 > 61 66 O 0.99452757723685 0.75000000000000 0.17935744926896 15.999 > 61 67 O 0.49452757723685 0.08333333333333 0.67935744926896 15.999 > 61 68 O 0.99452757723685 0.08333333333333 0.67935744926896 15.999 > 61 69 O 0.49452757723685 0.41666666666667 0.67935744926896 15.999 > 61 70 O 0.99452757723685 0.41666666666667 0.67935744926896 15.999 > 61 71 O 0.49452757723685 0.75000000000000 0.67935744926896 15.999 > 61 72 O 0.99452757723685 0.75000000000000 0.67935744926896 15.999 > 61 73 O 0.00547242276315 0.25000000000000 0.32064255073104 15.999 > 73 74 O 0.50547242276315 0.25000000000000 0.32064255073104 15.999 > 73 75 O 0.00547242276315 0.58333333333333 0.32064255073104 15.999 > 73 76 O 0.50547242276315 0.58333333333333 0.32064255073104 15.999 > 73 77 O 0.00547242276315 0.91666666666667 0.32064255073104 15.999 > 73 78 O 0.50547242276315 0.91666666666667 0.32064255073104 15.999 > 73 79 O 0.00547242276315 0.25000000000000 0.82064255073104 15.999 > 73 80 O 0.50547242276315 0.25000000000000 0.82064255073104 15.999 > 73 81 O 0.00547242276315 0.58333333333333 0.82064255073104 15.999 > 73 82 O 0.50547242276315 0.58333333333333 0.82064255073104 15.999 > 73 83 O 0.00547242276315 0.91666666666667 0.82064255073104 15.999 > 73 84 O 0.50547242276315 0.91666666666667 0.82064255073104 15.999 > 73 85 O 0.24452757723685 0.08333333333333 0.07064255073104 15.999 > 85 86 O 0.74452757723685 0.08333333333333 0.07064255073104 15.999 > 85 87 O 0.24452757723685 0.41666666666667 0.07064255073104 15.999 > 85 88 O 0.74452757723685 0.41666666666667 0.07064255073104 15.999 > 85 89 O 0.24452757723685 0.75000000000000 0.07064255073104 15.999 > 85 90 O 0.74452757723685 0.75000000000000 0.07064255073104 15.999 > 85 91 O 0.24452757723685 0.08333333333333 0.57064255073104 15.999 > 85 92 O 0.74452757723685 0.08333333333333 0.57064255073104 15.999 > 85 93 O 0.24452757723685 0.41666666666667 0.57064255073104 15.999 > 85 94 O 0.74452757723685 0.41666666666667 0.57064255073104 15.999 > 85 95 O 0.24452757723685 0.75000000000000 0.57064255073104 15.999 > 85 96 O 0.74452757723685 0.75000000000000 0.57064255073104 15.999 > 85 97 F 0.32068612709868 0.25000000000000 0.21000469625921 18.998 > 97 98 F 0.82068612709868 0.25000000000000 0.21000469625921 18.998 > 97 99 F 0.32068612709868 0.58333333333333 0.21000469625921 18.998 > 97 100 F 0.82068612709868 0.58333333333333 0.21000469625921 18.998 > 97 101 F 0.32068612709868 0.91666666666667 0.21000469625921 18.998 > 97 102 F 0.82068612709868 0.91666666666667 0.21000469625921 18.998 > 97 103 F 0.32068612709868 0.25000000000000 0.71000469625921 18.998 > 97 104 F 0.82068612709868 0.25000000000000 0.71000469625921 18.998 > 97 105 F 0.32068612709868 0.58333333333333 0.71000469625921 18.998 > 97 106 F 0.82068612709868 0.58333333333333 0.71000469625921 18.998 > 97 107 F 0.32068612709868 0.91666666666667 0.71000469625921 18.998 > 97 108 F 0.82068612709868 0.91666666666667 0.71000469625921 18.998 > 97 109 F 0.42931387290132 0.08333333333333 0.46000469625921 18.998 > 109 110 F 0.92931387290132 0.08333333333333 0.46000469625921 18.998 > 109 111 F 0.42931387290132 0.41666666666667 0.46000469625921 18.998 > 109 112 F 0.92931387290132 0.41666666666667 0.46000469625921 18.998 > 109 113 F 0.42931387290132 0.75000000000000 0.46000469625921 18.998 > 109 114 F 0.92931387290132 0.75000000000000 0.46000469625921 18.998 > 109 115 F 0.42931387290132 0.08333333333333 0.96000469625921 18.998 > 109 116 F 0.92931387290132 0.08333333333333 0.96000469625921 18.998 > 109 117 F 0.42931387290132 0.41666666666667 0.96000469625921 18.998 > 109 118 F 0.92931387290132 0.41666666666667 0.96000469625921 18.998 > 109 119 F 0.42931387290132 0.75000000000000 0.96000469625921 18.998 > 109 120 F 0.92931387290132 0.75000000000000 0.96000469625921 18.998 > 109 121 F 0.07068612709868 0.25000000000000 0.03999530374079 18.998 > 121 122 F 0.57068612709868 0.25000000000000 0.03999530374079 18.998 > 121 123 F 0.07068612709868 0.58333333333333 0.03999530374079 18.998 > 121 124 F 0.57068612709868 0.58333333333333 0.03999530374079 18.998 > 121 125 F 0.07068612709868 0.91666666666667 0.03999530374079 18.998 > 121 126 F 0.57068612709868 0.91666666666667 0.03999530374079 18.998 > 121 127 F 0.07068612709868 0.25000000000000 0.53999530374079 18.998 > 121 128 F 0.57068612709868 0.25000000000000 0.53999530374079 18.998 > 121 129 F 0.07068612709868 0.58333333333333 0.53999530374079 18.998 > 121 130 F 0.57068612709868 0.58333333333333 0.53999530374079 18.998 > 121 131 F 0.07068612709868 0.91666666666667 0.53999530374079 18.998 > 121 132 F 0.57068612709868 0.91666666666667 0.53999530374079 18.998 > 121 133 F 0.17931387290132 0.08333333333333 0.28999530374079 18.998 > 133 134 F 0.67931387290132 0.08333333333333 0.28999530374079 18.998 > 133 135 F 0.17931387290132 0.41666666666667 0.28999530374079 18.998 > 133 136 F 0.67931387290132 0.41666666666667 0.28999530374079 18.998 > 133 137 F 0.17931387290132 0.75000000000000 0.28999530374079 18.998 > 133 138 F 0.67931387290132 0.75000000000000 0.28999530374079 18.998 > 133 139 F 0.17931387290132 0.08333333333333 0.78999530374079 18.998 > 133 140 F 0.67931387290132 0.08333333333333 0.78999530374079 18.998 > 133 141 F 0.17931387290132 0.41666666666667 0.78999530374079 18.998 > 133 142 F 0.67931387290132 0.41666666666667 0.78999530374079 18.998 > 133 143 F 0.17931387290132 0.75000000000000 0.78999530374079 18.998 > 133 144 F 0.67931387290132 0.75000000000000 0.78999530374079 18.998 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8339292 0.0000000 0.0000000 0.0000000 5.7325413 0.0000000 0.0000000 0.0000000 4.7319346 -------------------------- Born effective charges -------------------------- 1 Bi 3.9567357 0.0000000 0.3661623 0.0000000 4.9499200 0.0000000 0.2969535 0.0000000 4.1057993 2 Bi 3.9567357 0.0000000 -0.3661623 0.0000000 4.9499200 0.0000000 -0.2969535 0.0000000 4.1057993 3 Bi 3.9567357 0.0000000 -0.3661623 0.0000000 4.9499200 0.0000000 -0.2969535 0.0000000 4.1057993 4 Bi 3.9567357 0.0000000 0.3661623 0.0000000 4.9499200 0.0000000 0.2969535 0.0000000 4.1057993 5 O -2.3244274 0.0000000 -0.3155710 0.0000000 -3.1968648 0.0000000 -0.2902680 0.0000000 -1.9350054 6 O -2.3244274 0.0000000 0.3155710 0.0000000 -3.1968648 0.0000000 0.2902680 0.0000000 -1.9350054 7 O -2.3244274 0.0000000 0.3155710 0.0000000 -3.1968648 0.0000000 0.2902680 0.0000000 -1.9350054 8 O -2.3244274 0.0000000 -0.3155710 0.0000000 -3.1968648 0.0000000 -0.2902680 0.0000000 -1.9350054 9 F -1.6323083 0.0000000 -0.7085530 0.0000000 -1.7530551 0.0000000 -0.1945787 0.0000000 -2.1707940 10 F -1.6323083 0.0000000 0.7085530 0.0000000 -1.7530551 0.0000000 0.1945787 0.0000000 -2.1707940 11 F -1.6323083 0.0000000 0.7085530 0.0000000 -1.7530551 0.0000000 0.1945787 0.0000000 -2.1707940 12 F -1.6323083 0.0000000 -0.7085530 0.0000000 -1.7530551 0.0000000 -0.1945787 0.0000000 -2.1707940 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 8 14 7 ] 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: 311, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.036 ( 0.000 0.000 0.000) 0.000 1.465 ( 0.000 0.000 0.000) 0.000 2.063 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.271 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.662 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 7.108 ( 0.000 0.000 0.000) 0.000 7.174 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 10.086 ( 0.000 0.000 0.000) 0.000 10.125 ( 0.000 0.000 0.000) 0.000 10.218 ( 0.000 0.000 0.000) 0.000 10.579 ( 0.000 0.000 0.000) 0.000 10.606 ( 0.000 0.000 0.000) 0.000 11.871 ( 0.000 0.000 0.000) 0.000 12.146 ( 0.000 0.000 0.000) 0.000 12.441 ( 0.000 0.000 0.000) 0.000 13.235 ( 0.000 0.000 0.000) 0.000 13.294 ( 0.000 0.000 0.000) 0.000 15.048 ( 0.000 0.000 0.000) 0.000 15.142 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 16.514 0.000 0.000) 16.514 0.381 ( 18.361 0.000 0.000) 18.361 0.619 ( 29.884 0.000 0.000) 29.884 1.054 ( 1.710 0.000 0.000) 1.710 1.518 ( 4.938 0.000 0.000) 4.938 2.025 ( -3.814 0.000 0.000) 3.814 2.117 ( 0.074 0.000 0.000) 0.074 2.263 ( -0.882 0.000 0.000) 0.882 2.985 ( -6.668 0.000 0.000) 6.668 3.965 ( -8.793 0.000 0.000) 8.793 4.249 ( 0.785 0.000 0.000) 0.785 4.641 ( -12.146 0.000 0.000) 12.146 4.744 ( 8.291 0.000 0.000) 8.291 5.300 ( 16.298 0.000 0.000) 16.298 5.397 ( 4.739 0.000 0.000) 4.739 5.769 ( 1.653 0.000 0.000) 1.653 6.455 ( 3.782 0.000 0.000) 3.782 6.568 ( -3.999 0.000 0.000) 3.999 6.770 ( -6.594 0.000 0.000) 6.594 7.001 ( -10.545 0.000 0.000) 10.545 7.168 ( -0.420 0.000 0.000) 0.420 7.329 ( 3.262 0.000 0.000) 3.262 8.677 ( 4.746 0.000 0.000) 4.746 9.250 ( -0.971 0.000 0.000) 0.971 10.110 ( 2.321 0.000 0.000) 2.321 10.150 ( 2.411 0.000 0.000) 2.411 10.214 ( -0.371 0.000 0.000) 0.371 10.564 ( -4.058 0.000 0.000) 4.058 11.889 ( 1.835 0.000 0.000) 1.835 12.090 ( -0.144 0.000 0.000) 0.144 12.121 ( -2.360 0.000 0.000) 2.360 12.416 ( -2.536 0.000 0.000) 2.536 13.231 ( -0.295 0.000 0.000) 0.295 13.291 ( -0.354 0.000 0.000) 0.354 15.207 ( 6.311 0.000 0.000) 6.311 16.366 ( -3.847 0.000 0.000) 3.847 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 16.036 0.000 0.000) 16.036 0.706 ( 14.340 0.000 0.000) 14.340 1.092 ( 1.820 0.000 0.000) 1.820 1.132 ( 20.744 0.000 0.000) 20.744 1.634 ( 6.209 0.000 0.000) 6.209 1.922 ( -6.016 0.000 0.000) 6.016 2.121 ( 0.423 0.000 0.000) 0.423 2.238 ( -1.604 0.000 0.000) 1.604 2.860 ( -4.210 0.000 0.000) 4.210 3.740 ( -13.472 0.000 0.000) 13.472 4.253 ( -0.556 0.000 0.000) 0.556 4.422 ( -9.779 0.000 0.000) 9.779 4.982 ( 15.690 0.000 0.000) 15.690 5.533 ( 8.900 0.000 0.000) 8.900 5.610 ( 14.219 0.000 0.000) 14.219 5.811 ( 2.472 0.000 0.000) 2.472 6.486 ( -3.593 0.000 0.000) 3.593 6.540 ( 3.916 0.000 0.000) 3.916 6.588 ( -11.520 0.000 0.000) 11.520 6.711 ( -18.352 0.000 0.000) 18.352 7.171 ( 1.280 0.000 0.000) 1.280 7.392 ( 2.476 0.000 0.000) 2.476 8.799 ( 7.187 0.000 0.000) 7.187 9.219 ( -2.274 0.000 0.000) 2.274 10.168 ( 3.353 0.000 0.000) 3.353 10.205 ( -0.399 0.000 0.000) 0.399 10.207 ( 2.977 0.000 0.000) 2.977 10.460 ( -6.116 0.000 0.000) 6.116 11.942 ( 3.518 0.000 0.000) 3.518 12.069 ( -2.513 0.000 0.000) 2.513 12.082 ( -0.743 0.000 0.000) 0.743 12.345 ( -4.540 0.000 0.000) 4.540 13.226 ( -0.124 0.000 0.000) 0.124 13.280 ( -0.741 0.000 0.000) 0.741 15.377 ( 10.640 0.000 0.000) 10.640 16.254 ( -7.426 0.000 0.000) 7.426 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 9.204 0.000 0.000) 9.204 0.952 ( 14.777 0.000 0.000) 14.777 1.111 ( -0.281 0.000 0.000) 0.281 1.354 ( 0.447 0.000 0.000) 0.447 1.742 ( 4.548 0.000 0.000) 4.548 1.834 ( -1.930 0.000 0.000) 1.930 2.136 ( 1.095 0.000 0.000) 1.095 2.202 ( -1.955 0.000 0.000) 1.955 2.882 ( 7.259 0.000 0.000) 7.259 3.447 ( -16.132 0.000 0.000) 16.132 4.231 ( -1.364 0.000 0.000) 1.364 4.271 ( -5.246 0.000 0.000) 5.246 5.347 ( 20.821 0.000 0.000) 20.821 5.735 ( 10.902 0.000 0.000) 10.902 5.826 ( 7.071 0.000 0.000) 7.071 5.860 ( 2.321 0.000 0.000) 2.321 6.309 ( -21.386 0.000 0.000) 21.386 6.334 ( -13.744 0.000 0.000) 13.744 6.455 ( 0.998 0.000 0.000) 0.998 6.574 ( -0.905 0.000 0.000) 0.905 7.233 ( 4.938 0.000 0.000) 4.938 7.407 ( -1.309 0.000 0.000) 1.309 8.942 ( 7.020 0.000 0.000) 7.020 9.159 ( -3.854 0.000 0.000) 3.854 10.207 ( 0.870 0.000 0.000) 0.870 10.230 ( 2.657 0.000 0.000) 2.657 10.255 ( 1.607 0.000 0.000) 1.607 10.340 ( -5.684 0.000 0.000) 5.684 12.025 ( 4.882 0.000 0.000) 4.882 12.035 ( -0.783 0.000 0.000) 0.783 12.061 ( -1.298 0.000 0.000) 1.298 12.243 ( -5.628 0.000 0.000) 5.628 13.229 ( 0.437 0.000 0.000) 0.437 13.263 ( -1.013 0.000 0.000) 1.013 15.608 ( 12.462 0.000 0.000) 12.462 16.078 ( -10.354 0.000 0.000) 10.354 ======================= Grid point 4 (5/160) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -4.218 0.000 0.000) 4.218 1.069 ( 4.218 0.000 0.000) 4.218 1.217 ( -11.631 0.000 0.000) 11.631 1.217 ( 11.631 0.000 0.000) 11.631 1.808 ( -2.045 0.000 0.000) 2.045 1.808 ( 2.045 0.000 0.000) 2.045 2.164 ( -1.753 0.000 0.000) 1.753 2.164 ( 1.753 0.000 0.000) 1.753 3.124 ( -15.802 0.000 0.000) 15.802 3.124 ( 15.802 0.000 0.000) 15.802 4.217 ( -0.546 0.000 0.000) 0.546 4.217 ( 0.546 0.000 0.000) 0.546 5.758 ( -17.513 0.000 0.000) 17.513 5.758 ( 17.513 0.000 0.000) 17.513 5.888 ( -0.036 0.000 0.000) 0.036 5.888 ( 0.036 0.000 0.000) 0.036 6.087 ( -8.054 0.000 0.000) 8.054 6.087 ( 8.054 0.000 0.000) 8.054 6.516 ( -4.159 0.000 0.000) 4.159 6.516 ( 4.159 0.000 0.000) 4.159 7.340 ( -5.075 0.000 0.000) 5.075 7.340 ( 5.075 0.000 0.000) 5.075 9.067 ( -5.534 0.000 0.000) 5.534 9.067 ( 5.534 0.000 0.000) 5.534 10.248 ( -3.443 0.000 0.000) 3.443 10.248 ( 3.443 0.000 0.000) 3.443 10.264 ( -0.675 0.000 0.000) 0.675 10.264 ( 0.675 0.000 0.000) 0.675 12.037 ( -0.879 0.000 0.000) 0.879 12.037 ( 0.879 0.000 0.000) 0.879 12.130 ( -5.686 0.000 0.000) 5.686 12.130 ( 5.686 0.000 0.000) 5.686 13.243 ( -0.926 0.000 0.000) 0.926 13.243 ( 0.926 0.000 0.000) 0.926 15.854 ( -12.187 0.000 0.000) 12.187 15.854 ( 12.187 0.000 0.000) 12.187 ======================= Grid point 9 (6/160) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.260 ( 0.000 14.371 0.000) 14.371 0.281 ( 0.000 18.056 0.000) 18.056 0.712 ( 0.000 34.829 0.000) 34.829 1.269 ( 0.000 20.757 0.000) 20.757 1.525 ( 0.000 6.228 0.000) 6.228 2.104 ( 0.000 4.112 0.000) 4.112 2.319 ( 0.000 18.628 0.000) 18.628 2.472 ( 0.000 17.520 0.000) 17.520 2.681 ( 0.000 3.130 0.000) 3.130 4.009 ( 0.000 -4.518 0.000) 4.518 4.224 ( 0.000 -1.359 0.000) 1.359 4.771 ( 0.000 -5.971 0.000) 5.971 5.097 ( 0.000 3.710 0.000) 3.710 5.430 ( 0.000 3.400 0.000) 3.400 5.438 ( 0.000 7.635 0.000) 7.635 5.795 ( 0.000 4.351 0.000) 4.351 6.520 ( 0.000 -9.265 0.000) 9.265 6.767 ( 0.000 -6.796 0.000) 6.796 7.027 ( 0.000 -7.413 0.000) 7.413 7.136 ( 0.000 -3.778 0.000) 3.778 7.222 ( 0.000 -7.104 0.000) 7.104 7.296 ( 0.000 0.856 0.000) 0.856 7.935 ( 0.000 -8.768 0.000) 8.768 8.557 ( 0.000 -5.585 0.000) 5.585 10.093 ( 0.000 -3.881 0.000) 3.881 10.224 ( 0.000 0.377 0.000) 0.377 10.466 ( 0.000 -9.764 0.000) 9.764 10.628 ( 0.000 2.020 0.000) 2.020 11.871 ( 0.000 -1.091 0.000) 1.091 12.146 ( 0.000 -0.926 0.000) 0.926 12.436 ( 0.000 -0.695 0.000) 0.695 13.213 ( 0.000 -8.046 0.000) 8.046 13.227 ( 0.000 -0.062 0.000) 0.062 14.933 ( 0.000 1.080 0.000) 1.080 15.042 ( 0.000 -0.544 0.000) 0.544 15.067 ( 0.000 -7.353 0.000) 7.353 ======================= Grid point 10 (7/160) ======================= q-point: ( 0.12 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 13.222 9.343 0.000) 16.190 0.576 ( 19.666 8.281 0.000) 21.338 0.856 ( 13.658 26.734 0.000) 30.021 1.266 ( 0.260 18.626 0.000) 18.628 1.574 ( 4.052 6.393 0.000) 7.569 2.068 ( -3.619 4.387 0.000) 5.687 2.324 ( 0.532 18.790 0.000) 18.797 2.492 ( 0.894 19.719 0.000) 19.739 2.712 ( 1.988 -6.865 0.000) 7.147 3.927 ( -7.922 -3.603 0.000) 8.703 4.235 ( 0.887 -1.140 0.000) 1.445 4.629 ( -10.350 -1.595 0.000) 10.472 5.199 ( -14.785 15.230 0.000) 21.226 5.235 ( 9.598 -2.744 0.000) 9.982 5.526 ( 8.689 8.651 0.000) 12.261 5.819 ( 1.843 4.035 0.000) 4.436 6.483 ( -3.485 -8.557 0.000) 9.239 6.611 ( -10.699 -3.470 0.000) 11.248 6.856 ( -10.520 10.999 0.000) 15.220 6.924 ( -9.756 -7.058 0.000) 12.041 7.228 ( -1.309 4.276 0.000) 4.472 7.260 ( 3.075 -6.838 0.000) 7.498 8.470 ( 26.517 -33.556 0.000) 42.769 8.603 ( 4.377 -6.191 0.000) 7.581 10.107 ( 1.406 -4.684 0.000) 4.891 10.221 ( -0.405 0.218 0.000) 0.460 10.414 ( -4.664 -1.607 0.000) 4.933 10.576 ( -4.998 1.011 0.000) 5.099 11.730 ( -10.183 0.228 0.000) 10.185 12.101 ( -4.124 -1.975 0.000) 4.572 12.442 ( 0.450 1.513 0.000) 1.578 13.111 ( -13.917 5.727 0.000) 15.049 13.225 ( -0.127 0.140 0.000) 0.189 13.566 ( -34.823 51.378 0.000) 62.067 15.128 ( 5.972 -7.674 0.000) 9.724 15.938 ( 17.682 -28.240 0.000) 33.319 ======================= Grid point 11 (8/160) ======================= q-point: ( 0.25 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 14.869 6.059 0.000) 16.056 0.908 ( 14.113 12.391 0.000) 18.781 1.167 ( 14.742 9.367 0.000) 17.467 1.290 ( 1.941 17.310 0.000) 17.419 1.649 ( 3.114 3.472 0.000) 4.664 1.966 ( -6.491 4.796 0.000) 8.071 2.344 ( 1.629 19.427 0.000) 19.495 2.501 ( 0.298 22.526 0.000) 22.528 2.734 ( 1.158 -8.081 0.000) 8.163 3.720 ( -12.703 -1.919 0.000) 12.847 4.248 ( 0.187 -0.473 0.000) 0.509 4.432 ( -9.007 0.857 0.000) 9.048 5.080 ( 3.089 7.128 0.000) 7.769 5.416 ( 8.958 -6.338 0.000) 10.973 5.738 ( 11.127 6.210 0.000) 12.743 5.865 ( 2.881 3.306 0.000) 4.385 6.405 ( -3.739 -7.135 0.000) 8.056 6.474 ( -6.147 -7.013 0.000) 9.325 6.672 ( -14.993 -3.580 0.000) 15.415 6.698 ( -6.127 9.999 0.000) 11.726 7.212 ( -0.063 2.565 0.000) 2.566 7.319 ( 2.401 -6.897 0.000) 7.303 8.714 ( 6.495 -7.697 0.000) 10.072 8.819 ( 10.605 -28.176 0.000) 30.105 10.147 ( 2.417 -6.162 0.000) 6.619 10.206 ( -0.950 -0.270 0.000) 0.988 10.314 ( -5.025 4.321 0.000) 6.627 10.460 ( -5.980 -1.507 0.000) 6.167 11.615 ( -0.982 -5.503 0.000) 5.590 12.002 ( -5.660 -3.777 0.000) 6.805 12.451 ( 0.519 6.198 0.000) 6.219 12.806 ( -11.829 29.838 0.000) 32.097 13.225 ( 0.166 0.716 0.000) 0.735 13.328 ( -3.292 11.695 0.000) 12.150 15.290 ( 10.076 -8.500 0.000) 13.183 16.045 ( -2.220 -18.359 0.000) 18.492 ======================= Grid point 12 (9/160) ======================= q-point: ( 0.38 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 13.689 4.014 0.000) 14.265 1.143 ( 9.707 15.758 0.000) 18.508 1.322 ( 0.550 18.876 0.000) 18.884 1.332 ( 0.897 1.329 0.000) 1.603 1.695 ( 2.003 -1.274 0.000) 2.374 1.838 ( -5.804 3.203 0.000) 6.630 2.387 ( 2.650 20.373 0.000) 20.545 2.493 ( -1.620 22.920 0.000) 22.977 2.832 ( 10.127 -3.440 0.000) 10.695 3.437 ( -15.892 -0.757 0.000) 15.910 4.241 ( -0.647 0.912 0.000) 1.118 4.292 ( -4.956 2.005 0.000) 5.346 5.262 ( 13.509 -5.101 0.000) 14.440 5.574 ( 5.580 -9.006 0.000) 10.595 5.898 ( 4.420 -3.518 0.000) 5.649 5.931 ( 3.587 1.344 0.000) 3.831 6.307 ( -9.931 -2.152 0.000) 10.162 6.324 ( -8.983 5.968 0.000) 10.785 6.429 ( -2.712 -3.405 0.000) 4.353 6.607 ( -4.338 5.018 0.000) 6.633 7.237 ( 2.679 -0.278 0.000) 2.693 7.340 ( -0.472 -6.128 0.000) 6.146 8.840 ( 5.815 -9.776 0.000) 11.375 8.937 ( 2.254 -19.163 0.000) 19.295 10.169 ( -0.419 -5.800 0.000) 5.815 10.219 ( 2.852 -1.740 0.000) 3.341 10.225 ( -3.759 -1.085 0.000) 3.913 10.359 ( -4.321 -0.799 0.000) 4.395 11.658 ( 4.470 -8.708 0.000) 9.788 11.886 ( -6.067 -5.877 0.000) 8.447 12.471 ( 1.781 11.769 0.000) 11.903 12.633 ( -6.684 24.011 0.000) 24.924 13.234 ( 0.786 1.621 0.000) 1.802 13.285 ( -1.687 5.135 0.000) 5.405 15.508 ( 11.717 -9.659 0.000) 15.185 15.932 ( -8.401 -13.625 0.000) 16.007 ======================= Grid point 13 (10/160) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.228 ( -9.844 1.733 0.000) 9.996 1.228 ( 9.844 1.733 0.000) 9.996 1.285 ( -4.570 18.791 0.000) 19.338 1.285 ( 4.570 18.791 0.000) 19.338 1.747 ( -3.518 -1.288 0.000) 3.747 1.747 ( 3.518 -1.288 0.000) 3.747 2.444 ( -2.961 21.389 0.000) 21.593 2.444 ( 2.961 21.389 0.000) 21.593 3.110 ( -16.628 -0.650 0.000) 16.641 3.110 ( 16.628 -0.650 0.000) 16.641 4.238 ( -0.838 1.980 0.000) 2.150 4.238 ( 0.838 1.980 0.000) 2.150 5.528 ( -10.761 -11.782 0.000) 15.957 5.528 ( 10.761 -11.782 0.000) 15.957 5.964 ( -2.109 -9.453 0.000) 9.685 5.964 ( 2.109 -9.453 0.000) 9.685 6.179 ( -0.722 13.573 0.000) 13.593 6.179 ( 0.722 13.573 0.000) 13.593 6.502 ( -5.977 0.283 0.000) 5.984 6.502 ( 5.977 0.283 0.000) 5.984 7.301 ( -3.156 -3.744 0.000) 4.897 7.301 ( 3.156 -3.744 0.000) 4.897 8.928 ( -2.821 -13.091 0.000) 13.392 8.928 ( 2.821 -13.091 0.000) 13.392 10.174 ( -1.334 -5.075 0.000) 5.247 10.174 ( 1.334 -5.075 0.000) 5.247 10.284 ( -3.481 -1.146 0.000) 3.665 10.284 ( 3.481 -1.146 0.000) 3.665 11.765 ( -6.044 -8.000 0.000) 10.027 11.765 ( 6.044 -8.000 0.000) 10.027 12.528 ( -4.066 17.703 0.000) 18.164 12.528 ( 4.066 17.703 0.000) 18.164 13.255 ( -1.327 2.916 0.000) 3.204 13.255 ( 1.327 2.916 0.000) 3.204 15.736 ( -11.125 -11.214 0.000) 15.796 15.736 ( 11.125 -11.214 0.000) 15.796 ======================= Grid point 18 (11/160) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 0.000 18.479 0.000) 18.479 0.690 ( 0.000 21.769 0.000) 21.769 1.360 ( 0.000 29.169 0.000) 29.169 1.701 ( 0.000 10.665 0.000) 10.665 1.754 ( 0.000 25.885 0.000) 25.885 2.229 ( 0.000 8.743 0.000) 8.743 2.683 ( 0.000 3.320 0.000) 3.320 2.782 ( 0.000 26.199 0.000) 26.199 2.978 ( 0.000 25.035 0.000) 25.035 3.890 ( 0.000 -7.117 0.000) 7.117 4.183 ( 0.000 -2.657 0.000) 2.657 4.610 ( 0.000 -10.083 0.000) 10.083 5.207 ( 0.000 7.215 0.000) 7.215 5.528 ( 0.000 6.270 0.000) 6.270 5.596 ( 0.000 6.744 0.000) 6.744 5.916 ( 0.000 7.302 0.000) 7.302 6.251 ( 0.000 -17.247 0.000) 17.247 6.573 ( 0.000 -12.492 0.000) 12.492 6.854 ( 0.000 -8.793 0.000) 8.793 7.020 ( 0.000 -12.172 0.000) 12.172 7.023 ( 0.000 -7.479 0.000) 7.479 7.309 ( 0.000 0.214 0.000) 0.214 7.707 ( 0.000 -13.158 0.000) 13.158 8.470 ( 0.000 -2.476 0.000) 2.476 9.943 ( 0.000 -11.391 0.000) 11.391 10.217 ( 0.000 -1.503 0.000) 1.503 10.269 ( 0.000 -8.301 0.000) 8.301 10.673 ( 0.000 2.075 0.000) 2.075 11.783 ( 0.000 -8.255 0.000) 8.255 12.061 ( 0.000 -8.355 0.000) 8.355 12.401 ( 0.000 -3.282 0.000) 3.282 12.984 ( 0.000 -14.538 0.000) 14.538 13.268 ( 0.000 4.617 0.000) 4.617 14.863 ( 0.000 -12.675 0.000) 12.675 14.954 ( 0.000 0.799 0.000) 0.799 15.026 ( 0.000 -1.138 0.000) 1.138 ======================= Grid point 19 (12/160) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 8.663 16.078 0.000) 18.263 0.821 ( 11.727 16.200 0.000) 19.999 1.421 ( 5.544 26.743 0.000) 27.311 1.647 ( -2.339 15.405 0.000) 15.582 1.816 ( 3.046 19.390 0.000) 19.628 2.202 ( -2.750 9.351 0.000) 9.747 2.658 ( -2.201 0.947 0.000) 2.396 2.783 ( 0.195 25.612 0.000) 25.612 2.981 ( 0.720 25.821 0.000) 25.831 3.832 ( -5.776 -5.701 0.000) 8.116 4.201 ( 1.552 -2.176 0.000) 2.673 4.555 ( -5.052 -6.313 0.000) 8.086 5.229 ( 2.591 2.418 0.000) 3.544 5.408 ( -10.366 8.660 0.000) 13.507 5.668 ( 5.829 4.051 0.000) 7.098 5.923 ( 0.189 6.262 0.000) 6.265 6.241 ( -0.573 -14.661 0.000) 14.672 6.432 ( -9.515 -12.358 0.000) 15.596 6.764 ( -7.407 -7.762 0.000) 10.729 6.980 ( -3.792 1.530 0.000) 4.089 7.074 ( 3.998 -10.848 0.000) 11.562 7.274 ( -2.466 0.148 0.000) 2.470 7.943 ( 17.935 -22.141 0.000) 28.494 8.487 ( 1.728 -4.615 0.000) 4.927 9.942 ( 0.027 -12.003 0.000) 12.003 10.211 ( -0.628 -1.477 0.000) 1.606 10.276 ( 0.506 -7.562 0.000) 7.579 10.608 ( -6.548 1.622 0.000) 6.746 11.703 ( -6.596 -4.711 0.000) 8.106 12.024 ( -3.400 -6.581 0.000) 7.407 12.427 ( 2.255 -3.681 0.000) 4.317 12.959 ( -2.613 -13.431 0.000) 13.683 13.273 ( 0.620 5.092 0.000) 5.130 14.325 ( -30.756 23.496 0.000) 38.704 14.916 ( 5.269 -13.028 0.000) 14.053 15.480 ( 15.819 -17.536 0.000) 23.617 ======================= Grid point 20 (13/160) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 11.778 12.227 0.000) 16.977 1.084 ( 13.700 9.434 0.000) 16.634 1.535 ( 4.640 20.819 0.000) 21.330 1.641 ( 1.892 13.816 0.000) 13.945 1.838 ( -1.030 17.154 0.000) 17.185 2.122 ( -5.271 11.259 0.000) 12.432 2.629 ( 0.435 -2.357 0.000) 2.397 2.793 ( 0.760 23.488 0.000) 23.500 3.011 ( 2.142 26.630 0.000) 26.716 3.674 ( -10.033 -2.203 0.000) 10.272 4.232 ( 1.459 -1.029 0.000) 1.785 4.440 ( -5.980 -0.862 0.000) 6.042 5.225 ( -5.976 7.506 0.000) 9.595 5.311 ( 5.448 -3.865 0.000) 6.679 5.741 ( -0.143 -7.301 0.000) 7.302 5.913 ( -1.270 1.758 0.000) 2.169 6.259 ( 2.937 -7.135 0.000) 7.716 6.289 ( -5.199 -10.861 0.000) 12.041 6.609 ( -7.281 -1.018 0.000) 7.351 6.892 ( -4.917 7.898 0.000) 9.304 7.149 ( 3.332 -9.179 0.000) 9.765 7.228 ( -1.946 -1.072 0.000) 2.222 8.271 ( 14.203 -26.352 0.000) 29.936 8.532 ( 2.605 -9.895 0.000) 10.232 9.950 ( 0.871 -13.016 0.000) 13.045 10.196 ( -0.645 -0.998 0.000) 1.189 10.276 ( -1.036 -5.301 0.000) 5.401 10.433 ( -10.160 -0.234 0.000) 10.163 11.602 ( -2.389 -0.246 0.000) 2.402 11.943 ( -4.695 -3.170 0.000) 5.665 12.477 ( 2.865 -4.302 0.000) 5.169 12.882 ( -5.076 -10.733 0.000) 11.873 13.295 ( 1.700 6.541 0.000) 6.758 13.849 ( -17.910 27.383 0.000) 32.720 15.060 ( 8.977 -13.849 0.000) 16.504 15.641 ( 1.856 -19.936 0.000) 20.022 ======================= Grid point 21 (14/160) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 11.265 9.177 0.000) 14.530 1.314 ( 7.947 6.113 0.000) 10.026 1.573 ( 0.204 15.433 0.000) 15.434 1.712 ( 3.912 6.474 0.000) 7.564 1.782 ( -3.225 21.448 0.000) 21.689 2.002 ( -6.736 13.825 0.000) 15.378 2.699 ( 5.921 -2.862 0.000) 6.577 2.808 ( 0.511 18.559 0.000) 18.566 3.065 ( 3.930 26.224 0.000) 26.517 3.447 ( -12.635 3.511 0.000) 13.113 4.258 ( 1.190 0.541 0.000) 1.307 4.339 ( -3.955 2.113 0.000) 4.485 5.206 ( 3.695 -0.390 0.000) 3.715 5.409 ( 2.312 -7.539 0.000) 7.885 5.681 ( -2.887 -14.658 0.000) 14.939 5.859 ( -4.734 -6.640 0.000) 8.155 6.221 ( -1.300 -6.268 0.000) 6.401 6.303 ( -1.015 -8.509 0.000) 8.570 6.544 ( 2.464 12.390 0.000) 12.633 6.787 ( -5.899 10.484 0.000) 12.029 7.198 ( 1.525 -7.082 0.000) 7.245 7.206 ( -0.194 -2.496 0.000) 2.504 8.487 ( 7.717 -24.892 0.000) 26.060 8.578 ( 1.648 -15.978 0.000) 16.063 9.977 ( 2.010 -11.918 0.000) 12.087 10.182 ( -8.271 -3.077 0.000) 8.825 10.199 ( 1.205 -0.811 0.000) 1.453 10.295 ( -3.230 -3.676 0.000) 4.893 11.618 ( 3.595 0.916 0.000) 3.710 11.839 ( -5.805 -0.435 0.000) 5.821 12.544 ( 4.126 -5.053 0.000) 6.523 12.767 ( -6.398 -7.862 0.000) 10.136 13.344 ( 3.397 9.196 0.000) 9.804 13.584 ( -9.919 20.557 0.000) 22.825 15.253 ( 10.293 -14.904 0.000) 18.113 15.597 ( -5.496 -18.223 0.000) 19.034 ======================= Grid point 22 (15/160) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.311 ( -7.141 7.005 0.000) 10.003 1.311 ( 7.141 7.005 0.000) 10.003 1.642 ( -6.466 10.782 0.000) 12.573 1.642 ( 6.466 10.782 0.000) 12.573 1.862 ( -7.166 16.519 0.000) 18.007 1.862 ( 7.166 16.519 0.000) 18.007 2.794 ( -2.570 7.744 0.000) 8.159 2.794 ( 2.570 7.744 0.000) 8.159 3.206 ( -10.682 14.976 0.000) 18.395 3.206 ( 10.682 14.976 0.000) 18.395 4.285 ( -1.800 2.190 0.000) 2.834 4.285 ( 1.800 2.190 0.000) 2.834 5.333 ( -7.721 -7.835 0.000) 11.001 5.333 ( 7.721 -7.835 0.000) 11.001 5.735 ( -6.703 -12.100 0.000) 13.832 5.735 ( 6.703 -12.100 0.000) 13.832 6.244 ( -3.101 -5.347 0.000) 6.181 6.244 ( 3.101 -5.347 0.000) 6.181 6.658 ( -7.041 12.611 0.000) 14.444 6.658 ( 7.041 12.611 0.000) 14.444 7.210 ( -0.142 -4.608 0.000) 4.611 7.210 ( 0.142 -4.608 0.000) 4.611 8.580 ( -1.931 -21.161 0.000) 21.249 8.580 ( 1.931 -21.161 0.000) 21.249 10.043 ( -5.131 -7.632 0.000) 9.196 10.043 ( 5.131 -7.632 0.000) 9.196 10.240 ( -2.642 -2.109 0.000) 3.381 10.240 ( 2.642 -2.109 0.000) 3.381 11.719 ( -6.110 0.754 0.000) 6.157 11.719 ( 6.110 0.754 0.000) 6.157 12.643 ( -5.856 -6.029 0.000) 8.404 12.643 ( 5.856 -6.029 0.000) 8.404 13.433 ( -5.851 13.706 0.000) 14.903 13.433 ( 5.851 13.706 0.000) 14.903 15.449 ( -9.152 -16.327 0.000) 18.717 15.449 ( 9.152 -16.327 0.000) 18.717 ======================= Grid point 27 (16/160) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.991 ( 0.000 21.788 0.000) 21.788 1.113 ( 0.000 20.139 0.000) 20.139 1.825 ( 0.000 16.759 0.000) 16.759 1.922 ( 0.000 11.129 0.000) 11.129 2.242 ( 0.000 21.901 0.000) 21.901 2.473 ( 0.000 15.676 0.000) 15.676 2.737 ( 0.000 2.390 0.000) 2.390 3.313 ( 0.000 26.154 0.000) 26.154 3.486 ( 0.000 24.531 0.000) 24.531 3.738 ( 0.000 -7.862 0.000) 7.862 4.129 ( 0.000 -2.210 0.000) 2.210 4.381 ( 0.000 -12.170 0.000) 12.170 5.372 ( 0.000 8.459 0.000) 8.459 5.662 ( 0.000 -0.775 0.000) 0.775 5.676 ( 0.000 8.461 0.000) 8.461 5.876 ( 0.000 -18.369 0.000) 18.369 6.047 ( 0.000 4.191 0.000) 4.191 6.284 ( 0.000 -15.977 0.000) 15.977 6.713 ( 0.000 -4.735 0.000) 4.735 6.796 ( 0.000 -8.997 0.000) 8.997 6.852 ( 0.000 -8.795 0.000) 8.795 7.300 ( 0.000 -1.109 0.000) 1.109 7.453 ( 0.000 -11.334 0.000) 11.334 8.443 ( 0.000 -1.433 0.000) 1.433 9.657 ( 0.000 -16.253 0.000) 16.253 10.146 ( 0.000 -6.087 0.000) 6.087 10.178 ( 0.000 -0.406 0.000) 0.406 10.698 ( 0.000 0.253 0.000) 0.253 11.544 ( 0.000 -15.182 0.000) 15.182 11.821 ( 0.000 -14.887 0.000) 14.887 12.290 ( 0.000 -8.059 0.000) 8.059 12.647 ( 0.000 -18.930 0.000) 18.930 13.398 ( 0.000 7.727 0.000) 7.727 14.586 ( 0.000 -14.479 0.000) 14.479 14.957 ( 0.000 -0.600 0.000) 0.600 14.995 ( 0.000 -2.002 0.000) 2.002 ======================= Grid point 28 (17/160) ======================= q-point: ( 0.12 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 5.519 20.538 0.000) 21.266 1.171 ( 5.684 17.871 0.000) 18.753 1.848 ( 1.925 15.528 0.000) 15.646 1.894 ( -2.425 10.886 0.000) 11.153 2.249 ( 0.362 20.977 0.000) 20.980 2.458 ( -1.580 15.864 0.000) 15.942 2.692 ( -3.992 2.188 0.000) 4.553 3.280 ( -3.450 21.948 0.000) 22.218 3.485 ( 0.268 23.557 0.000) 23.558 3.723 ( -1.322 -3.581 0.000) 3.818 4.163 ( 2.938 -0.974 0.000) 3.095 4.380 ( -0.149 -10.372 0.000) 10.373 5.322 ( -3.568 6.130 0.000) 7.093 5.585 ( -8.681 9.389 0.000) 12.787 5.622 ( -3.957 -9.392 0.000) 10.192 5.969 ( 7.323 -10.602 0.000) 12.885 6.044 ( -2.230 4.745 0.000) 5.243 6.146 ( -8.150 -15.739 0.000) 17.724 6.655 ( -2.935 -2.765 0.000) 4.032 6.873 ( 5.402 -8.321 0.000) 9.921 6.930 ( 4.238 -6.272 0.000) 7.570 7.260 ( -2.965 -0.813 0.000) 3.075 7.559 ( 9.578 -16.018 0.000) 18.663 8.410 ( -3.286 -4.276 0.000) 5.393 9.653 ( -0.060 -15.712 0.000) 15.712 10.145 ( -0.009 -5.606 0.000) 5.606 10.190 ( 1.097 -0.466 0.000) 1.192 10.626 ( -7.271 0.013 0.000) 7.271 11.526 ( -1.296 -12.662 0.000) 12.728 11.824 ( 0.312 -13.145 0.000) 13.148 12.300 ( 0.715 -8.837 0.000) 8.866 12.628 ( -1.979 -19.196 0.000) 19.297 13.411 ( 1.343 7.931 0.000) 8.044 14.626 ( -19.153 8.833 0.000) 21.091 14.634 ( 4.850 -14.570 0.000) 15.356 15.212 ( 8.106 -10.220 0.000) 13.045 ======================= Grid point 29 (18/160) ======================= q-point: ( 0.25 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 8.282 17.734 0.000) 19.573 1.319 ( 8.771 13.389 0.000) 16.006 1.846 ( -2.146 8.520 0.000) 8.786 1.870 ( -0.571 12.823 0.000) 12.835 2.248 ( -0.295 20.878 0.000) 20.880 2.411 ( -3.099 15.795 0.000) 16.097 2.621 ( -1.938 1.634 0.000) 2.535 3.174 ( -7.355 11.002 0.000) 13.234 3.509 ( 2.266 22.248 0.000) 22.363 3.694 ( -1.508 7.289 0.000) 7.443 4.224 ( 2.867 1.066 0.000) 3.058 4.370 ( -0.933 -6.123 0.000) 6.193 5.280 ( -0.169 0.858 0.000) 0.875 5.385 ( -9.956 8.472 0.000) 13.073 5.511 ( -6.912 -13.084 0.000) 14.797 5.893 ( -9.736 -6.695 0.000) 11.815 6.087 ( 3.543 -9.730 0.000) 10.355 6.101 ( 0.064 -4.947 0.000) 4.948 6.648 ( 2.529 3.252 0.000) 4.120 6.958 ( -1.113 -2.566 0.000) 2.797 6.985 ( 5.884 -6.575 0.000) 8.823 7.210 ( -1.782 0.843 0.000) 1.971 7.779 ( 11.525 -22.467 0.000) 25.251 8.324 ( -5.078 -11.422 0.000) 12.500 9.670 ( 2.092 -13.810 0.000) 13.968 10.150 ( 0.631 -4.114 0.000) 4.162 10.210 ( 0.355 -0.552 0.000) 0.657 10.426 ( -12.243 -0.733 0.000) 12.265 11.522 ( 1.500 -8.109 0.000) 8.246 11.828 ( -0.216 -9.063 0.000) 9.066 12.310 ( 0.309 -11.404 0.000) 11.408 12.569 ( -3.940 -19.485 0.000) 19.879 13.454 ( 3.151 8.488 0.000) 9.054 14.254 ( -18.064 13.773 0.000) 22.716 14.769 ( 8.510 -14.608 0.000) 16.906 15.298 ( 0.948 -14.131 0.000) 14.162 ======================= Grid point 30 (19/160) ======================= q-point: ( 0.38 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 8.714 14.887 0.000) 17.250 1.483 ( 6.656 10.362 0.000) 12.316 1.808 ( -1.988 4.897 0.000) 5.285 1.812 ( -4.556 10.060 0.000) 11.044 2.249 ( 0.673 22.361 0.000) 22.371 2.344 ( -3.513 17.258 0.000) 17.612 2.648 ( 4.823 -1.066 0.000) 4.940 2.997 ( -10.220 0.427 0.000) 10.228 3.566 ( 3.212 22.384 0.000) 22.613 3.664 ( -1.656 17.539 0.000) 17.617 4.270 ( 1.968 1.592 0.000) 2.532 4.344 ( -1.716 -2.170 0.000) 2.766 5.243 ( -3.875 3.871 0.000) 5.477 5.297 ( -0.947 -2.706 0.000) 2.867 5.400 ( -0.894 -12.563 0.000) 12.595 5.696 ( -10.192 -9.514 0.000) 13.943 6.102 ( 0.053 -4.838 0.000) 4.838 6.113 ( -0.061 -9.761 0.000) 9.761 6.732 ( 5.112 5.035 0.000) 7.175 6.907 ( -3.573 -0.463 0.000) 3.603 7.096 ( 4.980 -2.368 0.000) 5.514 7.190 ( -0.579 2.410 0.000) 2.478 7.980 ( 8.577 -25.118 0.000) 26.542 8.221 ( -5.181 -19.301 0.000) 19.984 9.745 ( 5.737 -10.453 0.000) 11.924 10.123 ( -11.348 -2.465 0.000) 11.612 10.173 ( 1.717 -2.244 0.000) 2.826 10.250 ( -2.708 -0.850 0.000) 2.839 11.590 ( 5.125 -4.889 0.000) 7.083 11.798 ( -3.131 -4.895 0.000) 5.810 12.325 ( 1.661 -15.360 0.000) 15.450 12.479 ( -5.028 -19.220 0.000) 19.867 13.541 ( 5.913 9.483 0.000) 11.175 13.932 ( -14.333 13.400 0.000) 19.621 14.953 ( 9.711 -14.484 0.000) 17.438 15.261 ( -4.499 -14.775 0.000) 15.445 ======================= Grid point 31 (20/160) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.508 ( -4.919 12.537 0.000) 13.467 1.508 ( 4.919 12.537 0.000) 13.467 1.768 ( -1.201 5.056 0.000) 5.196 1.768 ( 1.201 5.056 0.000) 5.196 2.282 ( -2.605 21.224 0.000) 21.384 2.282 ( 2.605 21.224 0.000) 21.384 2.796 ( -9.557 -3.644 0.000) 10.228 2.796 ( 9.557 -3.644 0.000) 10.228 3.624 ( -2.498 22.204 0.000) 22.344 3.624 ( 2.498 22.204 0.000) 22.344 4.307 ( -1.883 0.222 0.000) 1.896 4.307 ( 1.883 0.222 0.000) 1.896 5.233 ( -2.464 -1.815 0.000) 3.060 5.233 ( 2.464 -1.815 0.000) 3.060 5.505 ( -8.684 -10.588 0.000) 13.694 5.505 ( 8.684 -10.588 0.000) 13.694 6.106 ( -0.378 -7.185 0.000) 7.194 6.106 ( 0.378 -7.185 0.000) 7.194 6.828 ( -4.459 2.337 0.000) 5.034 6.828 ( 4.459 2.337 0.000) 5.034 7.168 ( -2.189 1.539 0.000) 2.676 7.168 ( 2.189 1.539 0.000) 2.676 8.117 ( -5.737 -24.272 0.000) 24.940 8.117 ( 5.737 -24.272 0.000) 24.940 9.900 ( -9.981 -6.280 0.000) 11.792 9.900 ( 9.981 -6.280 0.000) 11.792 10.212 ( -1.991 -1.030 0.000) 2.242 10.212 ( 1.991 -1.030 0.000) 2.242 11.705 ( -5.937 -3.518 0.000) 6.901 11.705 ( 5.937 -3.518 0.000) 6.901 12.384 ( -4.240 -18.109 0.000) 18.599 12.384 ( 4.240 -18.109 0.000) 18.599 13.695 ( -9.839 11.231 0.000) 14.931 13.695 ( 9.839 11.231 0.000) 14.931 15.133 ( -8.180 -14.533 0.000) 16.677 15.133 ( 8.180 -14.533 0.000) 16.677 ======================= Grid point 36 (21/160) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 21.414 0.000) 21.414 1.482 ( 0.000 16.785 0.000) 16.785 2.063 ( 0.000 8.687 0.000) 8.687 2.145 ( 0.000 11.671 0.000) 11.671 2.576 ( 0.000 10.385 0.000) 10.385 2.781 ( 0.000 2.106 0.000) 2.106 2.783 ( 0.000 12.966 0.000) 12.966 3.584 ( 0.000 -7.719 0.000) 7.719 3.793 ( 0.000 21.288 0.000) 21.288 3.919 ( 0.000 18.285 0.000) 18.285 4.122 ( 0.000 2.060 0.000) 2.060 4.182 ( 0.000 -5.716 0.000) 5.716 5.367 ( 0.000 -12.055 0.000) 12.055 5.566 ( 0.000 -8.176 0.000) 8.176 5.739 ( 0.000 8.661 0.000) 8.661 5.842 ( 0.000 4.247 0.000) 4.247 5.980 ( 0.000 -9.941 0.000) 9.941 6.007 ( 0.000 -8.973 0.000) 8.973 6.676 ( 0.000 -3.389 0.000) 3.389 6.680 ( 0.000 1.470 0.000) 1.470 6.728 ( 0.000 -3.075 0.000) 3.075 7.270 ( 0.000 -1.756 0.000) 1.756 7.283 ( 0.000 -5.272 0.000) 5.272 8.341 ( 0.000 -10.729 0.000) 10.729 9.363 ( 0.000 -11.254 0.000) 11.254 9.965 ( 0.000 -12.032 0.000) 12.032 10.252 ( 0.000 7.449 0.000) 7.449 10.679 ( 0.000 -2.241 0.000) 2.241 11.210 ( 0.000 -17.409 0.000) 17.409 11.510 ( 0.000 -15.321 0.000) 15.321 12.077 ( 0.000 -13.210 0.000) 13.210 12.245 ( 0.000 -20.983 0.000) 20.983 13.549 ( 0.000 6.930 0.000) 6.930 14.310 ( 0.000 -12.758 0.000) 12.758 14.931 ( 0.000 -2.004 0.000) 2.004 14.947 ( 0.000 -2.729 0.000) 2.729 ======================= Grid point 37 (22/160) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 4.083 21.100 0.000) 21.491 1.507 ( 2.622 15.517 0.000) 15.737 2.078 ( 1.268 8.959 0.000) 9.048 2.104 ( -3.891 10.810 0.000) 11.489 2.580 ( 0.491 10.980 0.000) 10.991 2.700 ( -6.091 3.762 0.000) 7.159 2.796 ( -0.311 10.731 0.000) 10.736 3.454 ( -10.789 -3.923 0.000) 11.480 3.870 ( 5.518 17.094 0.000) 17.962 3.882 ( -2.137 15.660 0.000) 15.806 4.199 ( 6.014 5.232 0.000) 7.971 4.204 ( 1.969 -5.204 0.000) 5.564 5.355 ( -1.592 -11.952 0.000) 12.057 5.422 ( -8.588 -1.024 0.000) 8.649 5.774 ( -10.885 5.686 0.000) 12.280 5.828 ( -5.237 -11.738 0.000) 12.853 5.863 ( 6.527 1.092 0.000) 6.618 6.066 ( 1.058 -3.732 0.000) 3.879 6.634 ( 0.042 -0.241 0.000) 0.245 6.770 ( 5.401 -1.731 0.000) 5.672 6.773 ( 3.125 -7.902 0.000) 8.498 7.251 ( -0.535 -0.059 0.000) 0.538 7.324 ( 3.175 -7.575 0.000) 8.213 8.256 ( -8.117 -12.517 0.000) 14.919 9.380 ( 1.854 -10.215 0.000) 10.382 9.977 ( 1.252 -11.337 0.000) 11.406 10.256 ( 0.308 6.703 0.000) 6.710 10.605 ( -7.362 -2.089 0.000) 7.653 11.228 ( 1.891 -16.315 0.000) 16.424 11.534 ( 2.329 -14.874 0.000) 15.056 12.076 ( -0.384 -13.486 0.000) 13.491 12.216 ( -2.828 -21.577 0.000) 21.762 13.564 ( 1.568 7.027 0.000) 7.200 14.359 ( 4.952 -12.657 0.000) 13.591 14.731 ( -13.048 2.613 0.000) 13.307 15.047 ( 3.213 -6.804 0.000) 7.525 ======================= Grid point 38 (23/160) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 6.198 20.349 0.000) 21.272 1.584 ( 5.012 12.539 0.000) 13.503 2.008 ( -5.366 8.379 0.000) 9.950 2.094 ( -0.346 10.642 0.000) 10.648 2.566 ( -6.400 0.746 0.000) 6.443 2.598 ( 1.339 12.740 0.000) 12.810 2.780 ( -1.122 11.524 0.000) 11.578 3.205 ( -14.074 -4.416 0.000) 14.751 3.870 ( 1.115 14.219 0.000) 14.263 3.971 ( 4.355 16.739 0.000) 17.296 4.247 ( 2.242 -3.934 0.000) 4.528 4.311 ( 4.739 7.643 0.000) 8.992 5.259 ( -5.505 -7.826 0.000) 9.568 5.339 ( -2.028 -0.178 0.000) 2.035 5.520 ( -12.664 0.509 0.000) 12.674 5.716 ( -7.433 -3.388 0.000) 8.169 5.930 ( 0.870 -4.351 0.000) 4.437 6.059 ( -1.433 -2.573 0.000) 2.945 6.680 ( 3.672 -0.305 0.000) 3.684 6.808 ( 0.299 -11.012 0.000) 11.016 6.903 ( 8.451 -1.857 0.000) 8.652 7.254 ( 0.590 2.437 0.000) 2.507 7.411 ( 5.569 -13.626 0.000) 14.720 8.054 ( -11.580 -16.052 0.000) 19.793 9.444 ( 4.930 -8.143 0.000) 9.519 10.018 ( 3.043 -9.216 0.000) 9.706 10.251 ( -1.589 4.214 0.000) 4.504 10.403 ( -12.148 -1.304 0.000) 12.218 11.292 ( 4.832 -14.141 0.000) 14.944 11.591 ( 3.041 -13.716 0.000) 14.049 12.046 ( -2.806 -14.788 0.000) 15.052 12.142 ( -4.473 -22.550 0.000) 22.990 13.613 ( 3.506 7.232 0.000) 8.037 14.440 ( -15.935 5.988 0.000) 17.023 14.498 ( 8.931 -12.272 0.000) 15.178 15.070 ( -0.827 -9.267 0.000) 9.304 ======================= Grid point 39 (24/160) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 5.366 9.661 0.000) 11.051 1.706 ( 6.590 19.410 0.000) 20.498 1.910 ( -4.163 5.536 0.000) 6.927 2.036 ( -5.755 13.356 0.000) 14.543 2.508 ( 1.609 -1.213 0.000) 2.015 2.632 ( 1.850 14.978 0.000) 15.091 2.754 ( -1.560 10.633 0.000) 10.747 2.921 ( -13.961 -6.127 0.000) 15.246 3.920 ( 3.586 13.321 0.000) 13.795 4.023 ( 0.479 15.654 0.000) 15.661 4.295 ( 2.796 0.204 0.000) 2.803 4.369 ( 0.944 8.583 0.000) 8.635 5.194 ( -1.096 -7.511 0.000) 7.590 5.312 ( -8.009 -0.032 0.000) 8.009 5.313 ( 0.215 3.124 0.000) 3.131 5.542 ( -9.550 -2.121 0.000) 9.782 5.939 ( 0.741 -7.219 0.000) 7.257 6.018 ( -2.512 -4.459 0.000) 5.118 6.743 ( 2.407 -2.733 0.000) 3.642 6.799 ( -0.875 -9.009 0.000) 9.051 7.086 ( 9.154 -0.274 0.000) 9.158 7.263 ( -0.069 3.170 0.000) 3.171 7.527 ( 5.925 -19.241 0.000) 20.133 7.831 ( -10.495 -19.173 0.000) 21.857 9.581 ( 9.042 -5.873 0.000) 10.782 10.082 ( -14.507 -1.662 0.000) 14.602 10.094 ( 4.454 -5.978 0.000) 7.455 10.256 ( -3.295 1.160 0.000) 3.494 11.416 ( 7.474 -11.986 0.000) 14.125 11.630 ( 0.011 -11.552 0.000) 11.552 11.981 ( -2.847 -18.217 0.000) 18.438 12.050 ( -4.638 -22.717 0.000) 23.185 13.709 ( 6.529 7.449 0.000) 9.905 14.132 ( -14.766 7.389 0.000) 16.512 14.692 ( 10.223 -11.646 0.000) 15.497 15.014 ( -4.896 -10.354 0.000) 11.453 ======================= Grid point 40 (25/160) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.775 ( -2.110 11.654 0.000) 11.843 1.775 ( 2.110 11.654 0.000) 11.843 1.904 ( -5.638 11.064 0.000) 12.418 1.904 ( 5.638 11.064 0.000) 12.418 2.613 ( -6.472 6.894 0.000) 9.456 2.613 ( 6.472 6.894 0.000) 9.456 2.735 ( -1.625 2.171 0.000) 2.712 2.735 ( 1.625 2.171 0.000) 2.712 3.992 ( -3.177 13.436 0.000) 13.807 3.992 ( 3.177 13.436 0.000) 13.807 4.351 ( -2.391 6.245 0.000) 6.687 4.351 ( 2.391 6.245 0.000) 6.687 5.209 ( -2.682 -3.584 0.000) 4.476 5.209 ( 2.682 -3.584 0.000) 4.476 5.376 ( -6.345 0.627 0.000) 6.376 5.376 ( 6.345 0.627 0.000) 6.376 5.969 ( -2.240 -6.704 0.000) 7.069 5.969 ( 2.240 -6.704 0.000) 7.069 6.778 ( -1.319 -5.772 0.000) 5.921 6.778 ( 1.319 -5.772 0.000) 5.921 7.225 ( -4.416 1.965 0.000) 4.834 7.225 ( 4.416 1.965 0.000) 4.834 7.654 ( -7.485 -20.994 0.000) 22.288 7.654 ( 7.485 -20.994 0.000) 22.288 9.801 ( -13.196 -3.539 0.000) 13.663 9.801 ( 13.196 -3.539 0.000) 13.663 10.183 ( -4.300 -2.259 0.000) 4.857 10.183 ( 4.300 -2.259 0.000) 4.857 11.563 ( -6.478 -10.382 0.000) 12.238 11.563 ( 6.478 -10.382 0.000) 12.238 11.975 ( -2.367 -21.713 0.000) 21.842 11.975 ( 2.367 -21.713 0.000) 21.842 13.878 ( -10.787 7.615 0.000) 13.204 13.878 ( 10.787 7.615 0.000) 13.204 14.880 ( -8.479 -11.002 0.000) 13.890 14.880 ( 8.479 -11.002 0.000) 13.890 ======================= Grid point 45 (26/160) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.782 ( 0.000 13.364 0.000) 13.364 1.808 ( 0.000 15.895 0.000) 15.895 2.202 ( 0.000 5.314 0.000) 5.314 2.409 ( 0.000 15.051 0.000) 15.051 2.642 ( 0.000 -2.869 0.000) 2.869 2.827 ( 0.000 2.724 0.000) 2.724 2.943 ( 0.000 3.467 0.000) 3.467 3.411 ( 0.000 -9.854 0.000) 9.854 4.139 ( 0.000 13.086 0.000) 13.086 4.195 ( 0.000 9.161 0.000) 9.161 4.206 ( 0.000 7.377 0.000) 7.377 4.209 ( 0.000 5.661 0.000) 5.661 5.139 ( 0.000 -7.994 0.000) 7.994 5.368 ( 0.000 -10.908 0.000) 10.908 5.654 ( 0.000 -11.366 0.000) 11.366 5.753 ( 0.000 -13.968 0.000) 13.968 6.013 ( 0.000 16.718 0.000) 16.718 6.101 ( 0.000 10.780 0.000) 10.780 6.645 ( 0.000 0.111 0.000) 0.111 6.681 ( 0.000 -2.947 0.000) 2.947 6.758 ( 0.000 5.570 0.000) 5.570 7.239 ( 0.000 -1.094 0.000) 1.094 7.241 ( 0.000 0.327 0.000) 0.327 7.992 ( 0.000 -23.152 0.000) 23.152 9.235 ( 0.000 -2.595 0.000) 2.595 9.681 ( 0.000 -15.701 0.000) 15.701 10.457 ( 0.000 12.628 0.000) 12.628 10.615 ( 0.000 -3.773 0.000) 3.773 10.884 ( 0.000 -14.623 0.000) 14.623 11.247 ( 0.000 -10.190 0.000) 10.190 11.780 ( 0.000 -15.989 0.000) 15.989 11.827 ( 0.000 -20.709 0.000) 20.709 13.668 ( 0.000 5.086 0.000) 5.086 14.089 ( 0.000 -9.297 0.000) 9.297 14.884 ( 0.000 -2.437 0.000) 2.437 14.891 ( 0.000 -2.710 0.000) 2.710 ======================= Grid point 46 (27/160) ======================= q-point: ( 0.12 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.477 12.355 0.000) 12.364 1.846 ( 3.697 15.573 0.000) 16.006 2.225 ( 2.158 5.424 0.000) 5.837 2.350 ( -5.564 13.854 0.000) 14.929 2.666 ( 2.208 -1.423 0.000) 2.627 2.750 ( -6.962 2.813 0.000) 7.509 2.949 ( 0.056 3.874 0.000) 3.875 3.316 ( -8.896 -8.577 0.000) 12.358 4.128 ( -1.954 9.970 0.000) 10.160 4.181 ( 3.642 12.204 0.000) 12.736 4.230 ( 2.369 7.640 0.000) 7.999 4.330 ( 7.109 5.681 0.000) 9.100 5.147 ( 0.395 -7.029 0.000) 7.040 5.330 ( -2.780 -7.652 0.000) 8.141 5.545 ( -7.564 -10.511 0.000) 12.949 5.825 ( 3.340 -10.175 0.000) 10.709 6.015 ( -0.968 12.549 0.000) 12.587 6.056 ( -4.196 8.725 0.000) 9.681 6.632 ( -0.086 0.340 0.000) 0.351 6.642 ( -3.447 -5.596 0.000) 6.572 6.797 ( 3.381 3.603 0.000) 4.941 7.234 ( -0.251 -2.105 0.000) 2.120 7.259 ( 1.375 0.600 0.000) 1.500 7.900 ( -8.640 -22.192 0.000) 23.815 9.260 ( 2.615 -2.669 0.000) 3.737 9.706 ( 2.668 -15.087 0.000) 15.321 10.439 ( -2.101 11.004 0.000) 11.202 10.552 ( -6.208 -2.787 0.000) 6.805 10.913 ( 2.910 -14.421 0.000) 14.711 11.272 ( 2.400 -10.438 0.000) 10.710 11.777 ( -0.706 -16.000 0.000) 16.016 11.787 ( -3.763 -21.163 0.000) 21.495 13.687 ( 1.880 5.339 0.000) 5.661 14.139 ( 5.047 -9.367 0.000) 10.640 14.756 ( -9.418 0.402 0.000) 9.426 14.929 ( 0.483 -5.098 0.000) 5.120 ======================= Grid point 47 (28/160) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 2.028 10.050 0.000) 10.253 1.940 ( 5.411 14.315 0.000) 15.303 2.216 ( -7.358 13.052 0.000) 14.983 2.281 ( 3.456 6.069 0.000) 6.984 2.583 ( -9.285 3.321 0.000) 9.860 2.719 ( 2.827 -0.238 0.000) 2.837 2.940 ( -0.969 4.349 0.000) 4.455 3.094 ( -12.814 -5.722 0.000) 14.033 4.121 ( 1.079 11.715 0.000) 11.765 4.236 ( 1.301 8.928 0.000) 9.022 4.312 ( 5.772 10.504 0.000) 11.985 4.463 ( 5.947 5.637 0.000) 8.194 5.132 ( -1.878 -3.854 0.000) 4.288 5.313 ( 1.563 -3.317 0.000) 3.667 5.390 ( -7.921 -6.589 0.000) 10.303 5.809 ( -5.993 2.664 0.000) 6.559 5.946 ( -5.440 5.592 0.000) 7.802 5.974 ( -3.194 -1.903 0.000) 3.718 6.578 ( -2.231 -10.734 0.000) 10.963 6.650 ( 0.965 -2.462 0.000) 2.644 6.895 ( 6.934 0.857 0.000) 6.987 7.232 ( 0.182 -5.139 0.000) 5.142 7.284 ( 0.921 0.344 0.000) 0.983 7.693 ( -11.384 -19.443 0.000) 22.531 9.345 ( 6.169 -2.410 0.000) 6.623 9.790 ( 5.951 -13.071 0.000) 14.362 10.332 ( -10.497 1.720 0.000) 10.637 10.411 ( -6.297 4.039 0.000) 7.481 11.002 ( 6.238 -13.744 0.000) 15.094 11.330 ( 3.159 -11.239 0.000) 11.674 11.697 ( -4.883 -21.666 0.000) 22.209 11.734 ( -3.935 -16.028 0.000) 16.504 13.743 ( 3.958 5.998 0.000) 7.186 14.282 ( 9.162 -9.570 0.000) 13.249 14.527 ( -13.373 3.364 0.000) 13.789 14.911 ( -2.443 -7.047 0.000) 7.458 ======================= Grid point 48 (29/160) ======================= q-point: ( 0.38 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 3.348 7.868 0.000) 8.550 2.019 ( -0.833 7.031 0.000) 7.080 2.112 ( 0.561 18.212 0.000) 18.221 2.339 ( -1.429 15.560 0.000) 15.626 2.434 ( -1.307 -4.538 0.000) 4.723 2.741 ( -4.064 -5.416 0.000) 6.771 2.870 ( -6.070 3.082 0.000) 6.807 2.913 ( -1.724 4.618 0.000) 4.929 4.159 ( 2.475 11.909 0.000) 12.164 4.239 ( -0.833 9.200 0.000) 9.238 4.433 ( 6.119 10.522 0.000) 12.172 4.545 ( 2.000 6.972 0.000) 7.253 5.106 ( -0.086 -1.280 0.000) 1.283 5.244 ( -6.659 -2.680 0.000) 7.178 5.372 ( 3.974 1.412 0.000) 4.217 5.637 ( -9.734 7.218 0.000) 12.118 5.851 ( -3.049 -0.774 0.000) 3.146 5.910 ( -3.729 -5.664 0.000) 6.781 6.568 ( 1.100 -13.452 0.000) 13.497 6.645 ( -1.412 -7.479 0.000) 7.611 7.054 ( 8.279 -2.437 0.000) 8.630 7.240 ( 0.001 -8.629 0.000) 8.629 7.293 ( 0.530 -1.207 0.000) 1.318 7.486 ( -9.047 -14.856 0.000) 17.394 9.510 ( 10.722 -1.421 0.000) 10.815 9.935 ( 8.517 -9.604 0.000) 12.836 10.065 ( -15.354 0.171 0.000) 15.354 10.280 ( -7.666 0.791 0.000) 7.707 11.155 ( 8.946 -12.823 0.000) 15.635 11.380 ( 1.213 -12.185 0.000) 12.245 11.609 ( -3.752 -20.836 0.000) 21.171 11.628 ( -6.073 -16.631 0.000) 17.706 13.848 ( 6.838 6.706 0.000) 9.578 14.256 ( -13.446 5.707 0.000) 14.607 14.482 ( 10.625 -9.721 0.000) 14.401 14.829 ( -5.903 -8.540 0.000) 10.382 ======================= Grid point 49 (30/160) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.938 ( -4.435 6.839 0.000) 8.151 1.938 ( 4.435 6.839 0.000) 8.151 2.215 ( -7.053 16.419 0.000) 17.870 2.215 ( 7.053 16.419 0.000) 17.870 2.559 ( -9.825 -4.824 0.000) 10.945 2.559 ( 9.825 -4.824 0.000) 10.945 2.873 ( -2.197 5.049 0.000) 5.506 2.873 ( 2.197 5.049 0.000) 5.506 4.208 ( -2.207 10.721 0.000) 10.946 4.208 ( 2.207 10.721 0.000) 10.946 4.532 ( -3.302 9.072 0.000) 9.654 4.532 ( 3.302 9.072 0.000) 9.654 5.140 ( -3.635 -0.904 0.000) 3.746 5.140 ( 3.635 -0.904 0.000) 3.746 5.471 ( -6.586 5.724 0.000) 8.726 5.471 ( 6.586 5.724 0.000) 8.726 5.845 ( -2.125 -4.942 0.000) 5.379 5.845 ( 2.125 -4.942 0.000) 5.379 6.606 ( -2.295 -11.899 0.000) 12.118 6.606 ( 2.295 -11.899 0.000) 12.118 7.190 ( -5.086 -5.584 0.000) 7.553 7.190 ( 5.086 -5.584 0.000) 7.553 7.347 ( -5.042 -8.771 0.000) 10.117 7.347 ( 5.042 -8.771 0.000) 10.117 9.763 ( -14.651 -0.230 0.000) 14.653 9.763 ( 14.651 -0.230 0.000) 14.653 10.112 ( -9.106 -4.872 0.000) 10.328 10.112 ( 9.106 -4.872 0.000) 10.328 11.326 ( -7.185 -12.170 0.000) 14.133 11.326 ( 7.185 -12.170 0.000) 14.133 11.561 ( -0.384 -18.936 0.000) 18.940 11.561 ( 0.384 -18.936 0.000) 18.940 14.018 ( -10.511 6.815 0.000) 12.527 14.018 ( 10.511 6.815 0.000) 12.527 14.680 ( -9.127 -9.452 0.000) 13.139 14.680 ( 9.127 -9.452 0.000) 13.139 ======================= Grid point 54 (31/160) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.000 10.306 0.000) 10.306 2.077 ( 0.000 11.948 0.000) 11.948 2.259 ( 0.000 -0.216 0.000) 0.216 2.512 ( 0.000 -9.124 0.000) 9.124 2.721 ( 0.000 15.185 0.000) 15.185 2.890 ( 0.000 3.305 0.000) 3.305 2.964 ( 0.000 -0.375 0.000) 0.375 3.206 ( 0.000 -10.378 0.000) 10.378 4.295 ( 0.000 1.739 0.000) 1.739 4.295 ( 0.000 2.232 0.000) 2.232 4.325 ( 0.000 6.435 0.000) 6.435 4.377 ( 0.000 6.934 0.000) 6.934 5.063 ( 0.000 -0.597 0.000) 0.597 5.169 ( 0.000 -7.939 0.000) 7.939 5.491 ( 0.000 -4.923 0.000) 4.923 5.526 ( 0.000 -7.768 0.000) 7.768 6.310 ( 0.000 9.741 0.000) 9.741 6.381 ( 0.000 19.574 0.000) 19.574 6.600 ( 0.000 -5.081 0.000) 5.081 6.676 ( 0.000 2.604 0.000) 2.604 6.865 ( 0.000 4.636 0.000) 4.636 7.232 ( 0.000 0.370 0.000) 0.370 7.256 ( 0.000 0.431 0.000) 0.431 7.485 ( 0.000 -26.168 0.000) 26.168 9.209 ( 0.000 -0.574 0.000) 0.574 9.388 ( 0.000 -12.255 0.000) 12.255 10.547 ( 0.000 -2.497 0.000) 2.497 10.646 ( 0.000 -8.289 0.000) 8.289 10.742 ( 0.000 15.043 0.000) 15.043 11.134 ( 0.000 -0.663 0.000) 0.663 11.429 ( 0.000 -19.041 0.000) 19.041 11.466 ( 0.000 -14.778 0.000) 14.778 13.756 ( 0.000 3.978 0.000) 3.978 13.937 ( 0.000 -6.124 0.000) 6.124 14.842 ( 0.000 -1.589 0.000) 1.589 14.845 ( 0.000 -1.743 0.000) 1.743 ======================= Grid point 55 (32/160) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -0.982 9.841 0.000) 9.890 2.104 ( 2.559 11.275 0.000) 11.562 2.268 ( 0.734 -1.533 0.000) 1.699 2.502 ( -1.653 -5.611 0.000) 5.849 2.700 ( -1.361 11.686 0.000) 11.765 2.833 ( -4.595 5.357 0.000) 7.058 2.977 ( 0.465 -0.519 0.000) 0.696 3.136 ( -6.586 -9.229 0.000) 11.338 4.282 ( 1.097 5.248 0.000) 5.362 4.363 ( 3.348 6.775 0.000) 7.557 4.380 ( 5.750 -0.355 0.000) 5.761 4.408 ( 3.033 7.180 0.000) 7.794 5.078 ( 1.271 -0.681 0.000) 1.442 5.178 ( 1.170 -6.374 0.000) 6.480 5.421 ( -4.039 -1.968 0.000) 4.493 5.597 ( 3.958 -10.227 0.000) 10.966 6.254 ( -5.518 9.583 0.000) 11.058 6.312 ( -7.089 16.215 0.000) 17.697 6.536 ( -5.908 -5.313 0.000) 7.945 6.654 ( -2.326 1.171 0.000) 2.605 6.878 ( 1.576 4.392 0.000) 4.666 7.217 ( -1.452 0.295 0.000) 1.482 7.263 ( 0.466 -0.530 0.000) 0.706 7.430 ( -4.994 -23.457 0.000) 23.983 9.234 ( 2.701 -0.397 0.000) 2.730 9.421 ( 3.569 -12.096 0.000) 12.611 10.500 ( -4.789 -1.063 0.000) 4.906 10.631 ( -3.363 -3.079 0.000) 4.559 10.740 ( 1.557 7.812 0.000) 7.966 11.151 ( 1.549 -1.177 0.000) 1.945 11.384 ( -4.196 -19.119 0.000) 19.574 11.465 ( -0.410 -14.518 0.000) 14.524 13.782 ( 2.590 4.434 0.000) 5.134 13.982 ( 4.574 -6.510 0.000) 7.956 14.763 ( -6.560 0.562 0.000) 6.584 14.842 ( -1.651 -3.611 0.000) 3.971 ======================= Grid point 56 (33/160) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.085 8.654 0.000) 8.654 2.159 ( 2.237 9.193 0.000) 9.461 2.282 ( 0.732 -4.537 0.000) 4.596 2.433 ( -4.646 3.089 0.000) 5.579 2.694 ( 0.416 2.964 0.000) 2.993 2.736 ( -4.842 9.952 0.000) 11.067 2.972 ( -0.839 -0.772 0.000) 1.140 2.981 ( -8.000 -5.909 0.000) 9.946 4.327 ( 3.123 8.377 0.000) 8.940 4.425 ( 2.467 8.967 0.000) 9.300 4.495 ( 5.447 6.523 0.000) 8.498 4.504 ( 6.366 -1.061 0.000) 6.454 5.102 ( 1.159 0.561 0.000) 1.287 5.230 ( 4.353 -4.335 0.000) 6.144 5.344 ( -3.829 1.891 0.000) 4.271 5.653 ( 1.174 -11.800 0.000) 11.858 6.106 ( -9.016 9.329 0.000) 12.974 6.122 ( -11.080 11.384 0.000) 15.886 6.403 ( -6.604 -7.106 0.000) 9.701 6.571 ( -6.194 -6.400 0.000) 8.906 6.938 ( 4.338 3.763 0.000) 5.743 7.180 ( -2.196 -0.443 0.000) 2.240 7.263 ( -0.633 -2.380 0.000) 2.463 7.323 ( -5.110 -16.408 0.000) 17.185 9.327 ( 7.018 0.415 0.000) 7.030 9.536 ( 8.139 -11.312 0.000) 13.936 10.352 ( -10.394 1.827 0.000) 10.553 10.496 ( -9.680 0.642 0.000) 9.701 10.822 ( 6.167 -1.149 0.000) 6.273 11.183 ( 1.345 -2.877 0.000) 3.176 11.293 ( -4.164 -18.500 0.000) 18.963 11.433 ( -3.186 -13.479 0.000) 13.850 13.858 ( 5.111 5.665 0.000) 7.630 14.112 ( 8.374 -7.582 0.000) 11.296 14.593 ( -10.351 3.561 0.000) 10.946 14.782 ( -4.506 -5.931 0.000) 7.448 ======================= Grid point 57 (34/160) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 2.101 7.459 0.000) 7.749 2.155 ( -3.068 6.967 0.000) 7.613 2.304 ( 1.677 -6.863 0.000) 7.065 2.369 ( -1.329 3.454 0.000) 3.701 2.654 ( -3.272 13.645 0.000) 14.032 2.670 ( -3.342 2.527 0.000) 4.190 2.883 ( -1.005 -1.997 0.000) 2.236 2.946 ( -1.805 -1.114 0.000) 2.121 4.391 ( 3.118 10.634 0.000) 11.081 4.454 ( 0.395 11.065 0.000) 11.072 4.598 ( 4.470 5.102 0.000) 6.783 4.611 ( 4.074 -0.066 0.000) 4.074 5.133 ( 2.261 3.592 0.000) 4.245 5.269 ( -3.874 4.873 0.000) 6.225 5.344 ( 6.926 -4.046 0.000) 8.022 5.623 ( -4.481 -9.154 0.000) 10.192 5.926 ( -7.691 8.070 0.000) 11.148 5.933 ( -7.501 8.218 0.000) 11.126 6.311 ( -2.142 -11.470 0.000) 11.668 6.432 ( -6.998 -13.427 0.000) 15.141 7.030 ( 4.471 0.793 0.000) 4.541 7.139 ( -1.861 -1.710 0.000) 2.527 7.241 ( -1.405 -3.978 0.000) 4.219 7.246 ( -2.624 -9.514 0.000) 9.869 9.515 ( 12.082 1.832 0.000) 12.220 9.737 ( 12.088 -9.411 0.000) 15.319 10.098 ( -14.934 3.228 0.000) 15.278 10.268 ( -13.159 -2.462 0.000) 13.388 10.968 ( 8.343 -4.467 0.000) 9.464 11.193 ( -0.559 -5.596 0.000) 5.624 11.240 ( -1.201 -15.797 0.000) 15.842 11.339 ( -5.992 -11.821 0.000) 13.253 13.984 ( 7.695 7.062 0.000) 10.444 14.298 ( 10.154 -8.751 0.000) 13.405 14.374 ( -11.408 6.298 0.000) 13.031 14.665 ( -7.383 -8.038 0.000) 10.914 ======================= Grid point 58 (35/160) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.075 ( -4.010 6.930 0.000) 8.007 2.075 ( 4.010 6.930 0.000) 8.007 2.344 ( -1.950 -4.722 0.000) 5.108 2.344 ( 1.950 -4.722 0.000) 5.108 2.621 ( -0.374 11.595 0.000) 11.601 2.621 ( 0.374 11.595 0.000) 11.601 2.905 ( -2.116 -1.430 0.000) 2.554 2.905 ( 2.116 -1.430 0.000) 2.554 4.440 ( -1.698 11.648 0.000) 11.771 4.440 ( 1.698 11.648 0.000) 11.771 4.650 ( -0.401 2.423 0.000) 2.456 4.650 ( 0.401 2.423 0.000) 2.456 5.193 ( -3.663 5.625 0.000) 6.713 5.193 ( 3.663 5.625 0.000) 6.713 5.493 ( -7.835 -4.941 0.000) 9.263 5.493 ( 7.835 -4.941 0.000) 9.263 5.850 ( -0.310 6.594 0.000) 6.602 5.850 ( 0.310 6.594 0.000) 6.602 6.325 ( -3.420 -14.944 0.000) 15.330 6.325 ( 3.420 -14.944 0.000) 15.330 7.100 ( -2.528 -1.856 0.000) 3.137 7.100 ( 2.528 -1.856 0.000) 3.137 7.221 ( -0.128 -5.569 0.000) 5.571 7.221 ( 0.128 -5.569 0.000) 5.571 9.791 ( -15.487 3.019 0.000) 15.779 9.791 ( 15.487 3.019 0.000) 15.779 9.997 ( -13.902 -6.294 0.000) 15.261 9.997 ( 13.902 -6.294 0.000) 15.261 11.128 ( -6.846 -6.630 0.000) 9.530 11.128 ( 6.846 -6.630 0.000) 9.530 11.246 ( -2.134 -12.262 0.000) 12.446 11.246 ( 2.134 -12.262 0.000) 12.446 14.160 ( -10.115 7.543 0.000) 12.618 14.160 ( 10.115 7.543 0.000) 12.618 14.496 ( -9.589 -9.072 0.000) 13.200 14.496 ( 9.589 -9.072 0.000) 13.200 ======================= Grid point 63 (36/160) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.000 -6.520 0.000) 6.520 2.188 ( 0.000 6.520 0.000) 6.520 2.306 ( 0.000 -11.136 0.000) 11.136 2.306 ( 0.000 11.136 0.000) 11.136 2.943 ( 0.000 -1.811 0.000) 1.811 2.943 ( 0.000 1.811 0.000) 1.811 2.990 ( 0.000 -11.810 0.000) 11.810 2.990 ( 0.000 11.810 0.000) 11.810 4.307 ( 0.000 -0.212 0.000) 0.212 4.307 ( 0.000 0.212 0.000) 0.212 4.418 ( 0.000 -2.477 0.000) 2.477 4.418 ( 0.000 2.477 0.000) 2.477 5.077 ( 0.000 -1.860 0.000) 1.860 5.077 ( 0.000 1.860 0.000) 1.860 5.448 ( 0.000 -0.568 0.000) 0.568 5.448 ( 0.000 0.568 0.000) 0.568 6.479 ( 0.000 -7.152 0.000) 7.152 6.479 ( 0.000 7.152 0.000) 7.152 6.685 ( 0.000 -5.761 0.000) 5.761 6.685 ( 0.000 5.761 0.000) 5.761 7.023 ( 0.000 -16.603 0.000) 16.603 7.023 ( 0.000 16.603 0.000) 16.603 7.248 ( 0.000 -0.984 0.000) 0.984 7.248 ( 0.000 0.984 0.000) 0.984 9.229 ( 0.000 -3.654 0.000) 3.654 9.229 ( 0.000 3.654 0.000) 3.654 10.539 ( 0.000 -2.189 0.000) 2.189 10.539 ( 0.000 2.189 0.000) 2.189 11.068 ( 0.000 -17.257 0.000) 17.257 11.068 ( 0.000 17.257 0.000) 17.257 11.221 ( 0.000 -9.018 0.000) 9.018 11.221 ( 0.000 9.018 0.000) 9.018 13.836 ( 0.000 -4.268 0.000) 4.268 13.836 ( 0.000 4.268 0.000) 4.268 14.826 ( 0.000 -0.085 0.000) 0.085 14.826 ( 0.000 0.085 0.000) 0.085 ======================= Grid point 65 (37/160) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -1.105 -7.088 0.000) 7.174 2.176 ( -1.105 7.088 0.000) 7.174 2.320 ( 1.223 -10.494 0.000) 10.565 2.320 ( 1.223 10.494 0.000) 10.565 2.933 ( -1.013 -3.906 0.000) 4.035 2.933 ( -1.013 3.906 0.000) 4.035 2.941 ( -4.532 -10.882 0.000) 11.788 2.941 ( -4.532 10.882 0.000) 11.788 4.349 ( 4.001 -2.200 0.000) 4.566 4.349 ( 4.001 2.200 0.000) 4.566 4.457 ( 3.608 -2.124 0.000) 4.187 4.457 ( 3.608 2.124 0.000) 4.187 5.095 ( 1.849 -2.267 0.000) 2.926 5.095 ( 1.849 2.267 0.000) 2.926 5.450 ( 0.100 -4.487 0.000) 4.489 5.450 ( 0.100 4.487 0.000) 4.489 6.418 ( -5.862 -6.822 0.000) 8.995 6.418 ( -5.862 6.822 0.000) 8.995 6.594 ( -8.829 -9.430 0.000) 12.918 6.594 ( -8.829 9.430 0.000) 12.918 7.037 ( 1.240 -13.987 0.000) 14.042 7.037 ( 1.240 13.987 0.000) 14.042 7.239 ( -1.051 -1.561 0.000) 1.882 7.239 ( -1.051 1.561 0.000) 1.882 9.260 ( 3.368 -4.002 0.000) 5.230 9.260 ( 3.368 4.002 0.000) 5.230 10.522 ( -2.197 -3.604 0.000) 4.221 10.522 ( -2.197 3.604 0.000) 4.221 11.027 ( -3.538 -16.631 0.000) 17.003 11.027 ( -3.538 16.631 0.000) 17.003 11.228 ( 0.436 -8.532 0.000) 8.543 11.228 ( 0.436 8.532 0.000) 8.543 13.872 ( 3.609 -4.804 0.000) 6.008 13.872 ( 3.609 4.804 0.000) 6.008 14.787 ( -3.963 -1.951 0.000) 4.417 14.787 ( -3.963 1.951 0.000) 4.417 ======================= Grid point 67 (38/160) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -0.658 -7.543 0.000) 7.571 2.155 ( -0.658 7.543 0.000) 7.571 2.336 ( -0.258 -8.447 0.000) 8.451 2.336 ( -0.258 8.447 0.000) 8.451 2.844 ( -4.365 -8.194 0.000) 9.284 2.844 ( -4.365 8.194 0.000) 9.284 2.905 ( -1.779 -6.147 0.000) 6.399 2.905 ( -1.779 6.147 0.000) 6.399 4.449 ( 5.717 -4.190 0.000) 7.088 4.449 ( 5.717 4.190 0.000) 7.088 4.542 ( 4.534 -2.119 0.000) 5.005 4.542 ( 4.534 2.119 0.000) 5.005 5.148 ( 3.548 -3.720 0.000) 5.141 5.148 ( 3.548 3.720 0.000) 5.141 5.447 ( -0.603 -8.076 0.000) 8.098 5.447 ( -0.603 8.076 0.000) 8.098 6.270 ( -8.574 -6.975 0.000) 11.053 6.270 ( -8.574 6.975 0.000) 11.053 6.373 ( -12.486 -12.692 0.000) 17.804 6.373 ( -12.486 12.692 0.000) 17.804 7.066 ( 1.604 -9.444 0.000) 9.580 7.066 ( 1.604 9.444 0.000) 9.580 7.206 ( -2.226 -2.703 0.000) 3.502 7.206 ( -2.226 2.703 0.000) 3.502 9.373 ( 8.276 -4.833 0.000) 9.584 9.373 ( 8.276 4.833 0.000) 9.584 10.422 ( -8.620 -5.048 0.000) 9.989 10.422 ( -8.620 5.048 0.000) 9.989 10.972 ( -0.977 -13.302 0.000) 13.337 10.972 ( -0.977 13.302 0.000) 13.337 11.224 ( -1.151 -6.818 0.000) 6.914 11.224 ( -1.151 6.818 0.000) 6.914 13.975 ( 6.786 -6.260 0.000) 9.233 13.975 ( 6.786 6.260 0.000) 9.233 14.675 ( -7.232 -4.757 0.000) 8.656 14.675 ( -7.232 4.757 0.000) 8.656 ======================= Grid point 69 (39/160) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 1.461 -7.314 0.000) 7.458 2.161 ( 1.461 7.314 0.000) 7.458 2.295 ( -3.694 -6.855 0.000) 7.787 2.295 ( -3.694 6.855 0.000) 7.787 2.797 ( -0.223 -6.494 0.000) 6.498 2.797 ( -0.223 6.494 0.000) 6.498 2.865 ( -2.274 -7.249 0.000) 7.597 2.865 ( -2.274 7.249 0.000) 7.597 4.556 ( 4.726 -5.524 0.000) 7.270 4.556 ( 4.726 5.524 0.000) 7.270 4.614 ( 2.306 -3.888 0.000) 4.520 4.614 ( 2.306 3.888 0.000) 4.520 5.235 ( 5.147 -6.081 0.000) 7.967 5.235 ( 5.147 6.081 0.000) 7.967 5.417 ( -2.609 -9.679 0.000) 10.025 5.417 ( -2.609 9.679 0.000) 10.025 6.112 ( -6.524 -9.106 0.000) 11.202 6.112 ( -6.524 9.106 0.000) 11.202 6.150 ( -9.017 -13.698 0.000) 16.399 6.150 ( -9.017 13.698 0.000) 16.399 7.095 ( 1.356 -5.634 0.000) 5.794 7.095 ( 1.356 5.634 0.000) 5.794 7.159 ( -2.249 -3.319 0.000) 4.009 7.159 ( -2.249 3.319 0.000) 4.009 9.586 ( 13.196 -5.497 0.000) 14.295 9.586 ( 13.196 5.497 0.000) 14.295 10.185 ( -14.718 -5.036 0.000) 15.555 10.185 ( -14.718 5.036 0.000) 15.555 11.001 ( 3.563 -7.478 0.000) 8.284 11.001 ( 3.563 7.478 0.000) 8.284 11.177 ( -3.625 -3.967 0.000) 5.374 11.177 ( -3.625 3.967 0.000) 5.374 14.132 ( 8.984 -7.896 0.000) 11.961 14.132 ( 8.984 7.896 0.000) 11.961 14.510 ( -9.274 -7.359 0.000) 11.839 14.510 ( -9.274 7.359 0.000) 11.839 ======================= Grid point 71 (40/160) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -3.823 -7.044 0.000) 8.014 2.215 ( 3.823 -7.044 0.000) 8.014 2.215 ( -3.823 7.044 0.000) 8.014 2.215 ( 3.823 7.044 0.000) 8.014 2.820 ( -2.066 -7.241 0.000) 7.529 2.820 ( 2.066 -7.241 0.000) 7.529 2.820 ( -2.066 7.241 0.000) 7.530 2.820 ( 2.066 7.241 0.000) 7.530 4.621 ( -1.620 -5.515 0.000) 5.748 4.621 ( 1.620 -5.515 0.000) 5.748 4.621 ( -1.620 5.515 0.000) 5.748 4.621 ( 1.620 5.515 0.000) 5.748 5.340 ( -5.092 -8.559 0.000) 9.959 5.340 ( 5.092 -8.559 0.000) 9.959 5.340 ( -5.092 8.559 0.000) 9.959 5.340 ( 5.092 8.559 0.000) 9.959 6.049 ( -0.847 -12.288 0.000) 12.317 6.049 ( 0.847 -12.288 0.000) 12.318 6.049 ( -0.847 12.288 0.000) 12.318 6.049 ( 0.847 12.288 0.000) 12.318 7.122 ( -1.527 -3.726 0.000) 4.027 7.122 ( 1.527 -3.726 0.000) 4.027 7.122 ( -1.527 3.727 0.000) 4.027 7.122 ( 1.527 3.727 0.000) 4.027 9.877 ( -15.880 -5.403 0.000) 16.774 9.877 ( -15.880 5.403 0.000) 16.774 9.877 ( 15.880 -5.403 0.000) 16.774 9.877 ( 15.880 5.403 0.000) 16.774 11.090 ( -4.901 -3.057 0.000) 5.777 11.090 ( 4.901 -3.057 0.000) 5.777 11.090 ( -4.901 3.057 0.000) 5.777 11.090 ( 4.901 3.057 0.000) 5.777 14.320 ( -9.856 -8.511 0.000) 13.022 14.320 ( 9.856 -8.511 0.000) 13.022 14.320 ( -9.856 8.511 0.000) 13.022 14.320 ( 9.856 8.511 0.000) 13.022 ======================= Grid point 135 (41/160) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( 0.000 0.000 14.570) 14.570 0.298 ( 0.000 0.000 15.793) 15.793 0.662 ( 0.000 0.000 34.106) 34.106 1.020 ( 0.000 0.000 -1.698) 1.698 1.602 ( 0.000 0.000 -9.203) 9.203 2.124 ( 0.000 0.000 0.802) 0.802 2.218 ( 0.000 0.000 14.302) 14.302 2.264 ( 0.000 0.000 -0.779) 0.779 2.600 ( 0.000 0.000 -5.966) 5.966 3.974 ( 0.000 0.000 -8.746) 8.746 4.271 ( 0.000 0.000 3.472) 3.472 4.703 ( 0.000 0.000 4.308) 4.308 4.799 ( 0.000 0.000 -3.649) 3.649 5.064 ( 0.000 0.000 -0.934) 0.934 5.326 ( 0.000 0.000 -2.593) 2.593 5.382 ( 0.000 0.000 -1.659) 1.659 5.871 ( 0.000 0.000 11.697) 11.697 6.845 ( 0.000 0.000 0.904) 0.904 7.091 ( 0.000 0.000 -1.780) 1.780 7.175 ( 0.000 0.000 0.113) 0.113 7.200 ( 0.000 0.000 -7.298) 7.298 7.289 ( 0.000 0.000 -1.663) 1.663 8.674 ( 0.000 0.000 4.539) 4.539 9.139 ( 0.000 0.000 -2.198) 2.198 10.082 ( 0.000 0.000 -0.389) 0.389 10.114 ( 0.000 0.000 -1.061) 1.061 10.568 ( 0.000 0.000 -1.112) 1.112 10.598 ( 0.000 0.000 -0.863) 0.863 11.907 ( 0.000 0.000 3.663) 3.663 12.185 ( 0.000 0.000 4.021) 4.021 12.418 ( 0.000 0.000 -2.448) 2.448 12.711 ( 0.000 0.000 -2.429) 2.429 13.233 ( 0.000 0.000 -0.087) 0.087 13.288 ( 0.000 0.000 -0.676) 0.676 15.096 ( 0.000 0.000 4.960) 4.960 15.882 ( 0.000 0.000 -4.465) 4.465 ======================= Grid point 136 (42/160) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 14.170 0.000 8.054) 16.299 0.540 ( 13.944 0.000 13.142) 19.161 0.833 ( 18.110 0.000 22.167) 28.625 1.041 ( 1.934 0.000 -1.452) 2.418 1.492 ( -0.276 0.000 -3.520) 3.530 2.124 ( -0.000 0.000 0.727) 0.727 2.172 ( -4.563 0.000 13.661) 14.403 2.255 ( -0.856 0.000 -0.752) 1.139 2.763 ( 3.351 0.000 -15.642) 15.997 3.912 ( -7.543 0.000 -7.007) 10.295 4.275 ( 0.167 0.000 2.760) 2.765 4.659 ( -10.816 0.000 0.178) 10.818 4.783 ( 8.064 0.000 4.076) 9.035 5.256 ( 13.497 0.000 -3.359) 13.909 5.374 ( 4.851 0.000 -2.472) 5.445 5.672 ( 20.058 0.000 -20.834) 28.921 5.919 ( 3.479 0.000 8.851) 9.511 6.777 ( -6.725 0.000 0.768) 6.769 6.987 ( -10.239 0.000 -1.467) 10.344 6.989 ( -8.877 0.000 2.796) 9.307 7.236 ( -1.403 0.000 1.333) 1.936 7.390 ( 6.583 0.000 2.638) 7.092 8.655 ( 0.395 0.000 1.630) 1.677 9.099 ( -2.556 0.000 -7.319) 7.753 10.106 ( 2.356 0.000 -0.350) 2.382 10.140 ( 2.481 0.000 -0.998) 2.675 10.428 ( -7.599 0.000 8.641) 11.507 10.563 ( -3.777 0.000 -0.003) 3.777 11.921 ( 1.520 0.000 3.340) 3.669 12.131 ( -5.077 0.000 3.557) 6.199 12.305 ( -14.016 0.000 11.225) 17.957 12.394 ( -2.379 0.000 -2.285) 3.299 13.266 ( -0.130 0.000 1.488) 1.494 13.285 ( -0.361 0.000 -0.372) 0.518 15.229 ( 7.836 0.000 2.891) 8.353 16.116 ( 8.656 0.000 -16.660) 18.775 ======================= Grid point 137 (43/160) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 12.910 0.000 3.827) 13.465 0.788 ( 12.514 0.000 12.422) 17.633 1.085 ( 2.172 0.000 -0.834) 2.326 1.232 ( 18.111 0.000 10.043) 20.709 1.585 ( 7.602 0.000 -3.845) 8.519 2.053 ( -6.812 0.000 12.264) 14.028 2.126 ( 0.281 0.000 0.507) 0.580 2.231 ( -1.541 0.000 -0.660) 1.676 2.757 ( -0.746 0.000 -9.372) 9.402 3.697 ( -13.503 0.000 -5.197) 14.468 4.268 ( -0.916 0.000 1.757) 1.981 4.456 ( -9.166 0.000 2.701) 9.556 5.015 ( 15.234 0.000 3.378) 15.604 5.496 ( 10.867 0.000 -6.477) 12.651 5.513 ( 9.093 0.000 -2.140) 9.341 5.958 ( 0.557 0.000 -2.861) 2.914 6.050 ( 17.756 0.000 -4.838) 18.403 6.591 ( -11.821 0.000 0.360) 11.826 6.706 ( -17.727 0.000 -0.564) 17.735 6.845 ( -6.106 0.000 6.635) 9.017 7.216 ( 0.007 0.000 1.905) 1.905 7.480 ( 2.315 0.000 7.964) 8.294 8.715 ( 5.015 0.000 -7.662) 9.157 9.051 ( -2.451 0.000 -11.669) 11.923 10.165 ( 3.386 0.000 -0.274) 3.397 10.199 ( 3.105 0.000 -0.809) 3.208 10.330 ( -3.080 0.000 8.470) 9.013 10.466 ( -5.631 0.000 0.941) 5.709 11.966 ( 2.981 0.000 2.463) 3.867 12.051 ( -2.342 0.000 0.901) 2.510 12.162 ( -4.163 0.000 4.986) 6.496 12.328 ( -4.232 0.000 -1.800) 4.598 13.249 ( -1.034 0.000 1.461) 1.790 13.275 ( -0.640 0.000 -0.507) 0.817 15.399 ( 9.594 0.000 2.304) 9.866 16.143 ( -3.871 0.000 -10.348) 11.049 ======================= Grid point 138 (44/160) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 8.512 0.000 1.905) 8.723 1.042 ( 13.126 0.000 8.867) 15.840 1.111 ( 0.117 0.000 -0.054) 0.128 1.423 ( -0.190 0.000 6.260) 6.263 1.744 ( 7.921 0.000 0.983) 7.982 1.948 ( -3.366 0.000 11.329) 11.818 2.138 ( 0.917 0.000 0.172) 0.933 2.197 ( -1.843 0.000 -0.477) 1.904 2.819 ( 8.241 0.000 -6.321) 10.386 3.400 ( -16.378 0.000 -5.115) 17.159 4.246 ( -0.990 0.000 1.844) 2.093 4.312 ( -5.305 0.000 3.530) 6.372 5.368 ( 20.130 0.000 2.218) 20.252 5.687 ( 8.644 0.000 -6.244) 10.664 5.719 ( 11.068 0.000 -1.717) 11.200 5.929 ( -3.262 0.000 -2.642) 4.198 6.306 ( -19.193 0.000 -0.057) 19.193 6.344 ( -15.384 0.000 0.680) 15.399 6.367 ( 13.850 0.000 2.044) 14.000 6.732 ( -5.991 0.000 6.789) 9.054 7.256 ( 4.299 0.000 1.607) 4.589 7.473 ( -3.095 0.000 7.015) 7.667 8.824 ( 5.581 0.000 -12.791) 13.955 8.997 ( -3.199 0.000 -13.225) 13.607 10.227 ( 2.647 0.000 -0.246) 2.658 10.249 ( 1.739 0.000 -0.549) 1.823 10.291 ( -0.898 0.000 6.733) 6.793 10.362 ( -4.569 0.000 2.430) 5.174 12.031 ( 0.107 0.000 0.415) 0.428 12.038 ( 4.267 0.000 1.273) 4.453 12.097 ( -2.735 0.000 2.669) 3.821 12.234 ( -5.178 0.000 -1.010) 5.275 13.236 ( -0.150 0.000 0.423) 0.449 13.259 ( -0.898 0.000 -0.359) 0.967 15.602 ( 10.887 0.000 -0.452) 10.896 16.012 ( -8.739 0.000 -6.428) 10.849 ======================= Grid point 139 (45/160) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.077 ( -3.762 0.000 0.803) 3.847 1.077 ( 3.762 0.000 0.803) 3.847 1.287 ( -11.096 0.000 6.683) 12.953 1.287 ( 11.096 0.000 6.683) 12.953 1.875 ( -5.093 0.000 7.135) 8.766 1.875 ( 5.093 0.000 7.135) 8.766 2.163 ( -1.591 0.000 -0.188) 1.602 2.163 ( 1.591 0.000 -0.188) 1.602 3.072 ( -16.092 0.000 -5.432) 16.984 3.072 ( 16.092 0.000 -5.432) 16.984 4.247 ( -1.457 0.000 2.885) 3.232 4.247 ( 1.457 0.000 2.885) 3.232 5.759 ( -15.755 0.000 0.124) 15.755 5.759 ( 15.755 0.000 0.124) 15.755 5.834 ( -6.227 0.000 -4.384) 7.616 5.834 ( 6.227 0.000 -4.384) 7.616 6.091 ( -7.346 0.000 0.451) 7.360 6.091 ( 7.346 0.000 0.451) 7.360 6.589 ( -8.940 0.000 5.889) 10.705 6.589 ( 8.940 0.000 5.889) 10.705 7.371 ( -6.497 0.000 3.521) 7.389 7.371 ( 6.497 0.000 3.521) 7.389 8.923 ( -4.370 0.000 -13.948) 14.617 8.923 ( 4.370 0.000 -13.948) 14.617 10.261 ( -0.597 0.000 -0.335) 0.684 10.261 ( 0.597 0.000 -0.335) 0.684 10.298 ( -1.747 0.000 4.635) 4.953 10.298 ( 1.747 0.000 4.635) 4.953 12.051 ( -1.821 0.000 1.305) 2.241 12.051 ( 1.821 0.000 1.305) 2.241 12.131 ( -5.118 0.000 0.047) 5.118 12.131 ( 5.118 0.000 0.047) 5.118 13.243 ( -0.703 0.000 -0.129) 0.715 13.243 ( 0.703 0.000 -0.129) 0.715 15.817 ( -10.721 0.000 -3.538) 11.289 15.817 ( 10.721 0.000 -3.538) 11.289 ======================= Grid point 144 (46/160) ======================= q-point: ( 0.00 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 0.000 11.512 10.187) 15.372 0.524 ( 0.000 10.131 15.905) 18.858 0.900 ( 0.000 25.180 19.966) 32.135 1.253 ( 0.000 20.689 -1.715) 20.760 1.449 ( 0.000 1.260 -6.720) 6.837 2.222 ( 0.000 4.641 8.502) 9.686 2.359 ( 0.000 17.391 6.254) 18.481 2.462 ( 0.000 17.056 -1.068) 17.089 2.629 ( 0.000 3.701 -5.562) 6.681 3.930 ( 0.000 -4.162 -8.389) 9.365 4.254 ( 0.000 -1.513 3.040) 3.396 4.738 ( 0.000 -5.647 -3.299) 6.540 5.093 ( 0.000 3.307 -0.433) 3.335 5.362 ( 0.000 3.157 -4.505) 5.501 5.467 ( 0.000 7.824 0.305) 7.830 5.554 ( 0.000 21.318 -27.930) 35.136 6.130 ( 0.000 22.378 -3.864) 22.709 6.769 ( 0.000 -7.329 0.201) 7.332 6.958 ( 0.000 -11.882 -2.139) 12.073 7.156 ( 0.000 -2.103 0.310) 2.125 7.185 ( 0.000 -3.698 -4.445) 5.782 7.256 ( 0.000 -1.523 -3.391) 3.717 8.409 ( 0.000 -35.637 24.103) 43.023 8.591 ( 0.000 -6.834 3.185) 7.539 10.084 ( 0.000 -3.825 -0.874) 3.924 10.185 ( 0.000 2.751 -3.160) 4.189 10.465 ( 0.000 -8.831 -0.068) 8.831 10.610 ( 0.000 1.128 -1.937) 2.242 11.886 ( 0.000 -2.277 1.689) 2.835 12.204 ( 0.000 0.177 5.882) 5.885 12.336 ( 0.000 -1.724 -8.602) 8.773 13.172 ( 0.000 -5.461 -4.923) 7.352 13.228 ( 0.000 0.206 0.180) 0.274 13.837 ( 0.000 42.647 -42.688) 60.341 15.090 ( 0.000 -0.592 4.908) 4.944 15.645 ( 0.000 -16.505 11.100) 19.890 ======================= Grid point 145 (47/160) ======================= q-point: ( 0.12 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 11.532 6.359 11.146) 17.253 0.655 ( 14.246 8.951 8.311) 18.765 1.008 ( 10.562 20.657 15.935) 28.146 1.255 ( 0.584 18.170 -1.244) 18.221 1.495 ( 4.334 4.690 -6.653) 9.222 2.190 ( -3.511 3.951 9.814) 11.147 2.349 ( -0.543 18.502 3.756) 18.887 2.483 ( 1.041 19.686 -0.853) 19.732 2.650 ( 1.686 -3.579 -6.220) 7.371 3.858 ( -7.018 -3.913 -7.363) 10.898 4.260 ( 0.503 -1.253 2.608) 2.937 4.618 ( -8.902 -2.248 -1.085) 9.246 5.158 ( -9.460 13.810 -4.583) 17.355 5.212 ( 6.999 -1.158 -1.803) 7.320 5.498 ( 5.755 9.018 -1.956) 10.875 5.766 ( 13.589 5.529 -12.910) 19.542 6.111 ( -1.550 14.436 -3.599) 14.958 6.708 ( -5.896 -6.347 1.370) 8.770 6.840 ( -10.300 -10.567 -1.006) 14.791 7.020 ( -7.318 1.001 1.074) 7.464 7.230 ( 1.287 -2.986 -0.945) 3.386 7.347 ( 4.482 -3.452 3.444) 6.623 8.450 ( 4.315 -22.180 2.679) 22.754 8.697 ( 7.959 -16.932 4.897) 19.339 10.099 ( 1.565 -4.535 -0.708) 4.849 10.177 ( -0.768 2.220 -3.303) 4.053 10.434 ( -2.919 -4.319 1.290) 5.370 10.560 ( -4.647 -0.198 -1.557) 4.905 11.785 ( -7.484 -2.678 5.153) 9.473 12.151 ( -4.765 -0.643 5.178) 7.066 12.359 ( 1.742 1.140 -7.544) 7.826 13.003 ( -14.883 14.947 -8.117) 22.601 13.245 ( 0.346 -1.301 0.502) 1.437 13.479 ( -15.272 31.633 -6.659) 35.753 15.171 ( 6.121 -5.489 4.408) 9.328 15.881 ( 11.817 -18.529 -5.296) 22.606 ======================= Grid point 146 (48/160) ======================= q-point: ( 0.25 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 12.227 4.155 9.552) 16.062 0.946 ( 13.220 12.181 3.759) 18.365 1.258 ( 12.117 7.658 8.860) 16.851 1.286 ( 2.432 17.483 -0.189) 17.653 1.596 ( 5.399 3.519 -4.032) 7.602 2.082 ( -7.099 3.850 10.367) 13.142 2.354 ( 1.092 19.573 1.195) 19.640 2.496 ( 0.684 22.507 -0.393) 22.521 2.679 ( 1.799 -5.338 -5.442) 7.832 3.666 ( -12.219 -2.519 -5.857) 13.782 4.265 ( -0.144 -0.378 1.861) 1.904 4.449 ( -7.902 -0.407 1.377) 8.032 5.091 ( 4.074 5.756 1.074) 7.133 5.379 ( 8.814 -5.557 -3.343) 10.943 5.646 ( 8.684 6.245 -4.311) 11.532 6.044 ( 8.224 1.217 12.363) 14.898 6.083 ( 4.148 4.902 -18.127) 19.231 6.544 ( -10.945 -6.353 2.067) 12.823 6.595 ( -13.736 -4.281 -1.788) 14.498 6.880 ( -6.830 2.147 4.995) 8.730 7.240 ( 0.176 0.420 0.463) 0.650 7.404 ( 1.413 -6.802 8.555) 11.021 8.565 ( 6.746 -14.222 -10.353) 18.840 8.823 ( 4.145 -16.812 -2.191) 17.454 10.141 ( 2.448 -5.853 -0.579) 6.371 10.160 ( -0.728 -0.208 -2.850) 2.949 10.363 ( -4.005 0.068 3.027) 5.021 10.457 ( -5.181 -2.557 -0.187) 5.780 11.692 ( -1.237 -5.845 7.353) 9.475 12.042 ( -5.872 -2.435 4.221) 7.631 12.391 ( 1.574 5.938 -5.794) 8.445 12.748 ( -9.760 25.476 -4.827) 27.706 13.242 ( -0.430 -0.277 0.626) 0.808 13.329 ( -3.559 10.585 -0.162) 11.169 15.319 ( 8.805 -7.648 3.083) 12.063 15.974 ( -1.220 -15.200 -6.875) 16.727 ======================= Grid point 147 (49/160) ======================= q-point: ( 0.38 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 12.313 2.471 6.441) 14.114 1.165 ( 9.015 16.018 2.229) 18.515 1.326 ( 0.867 19.131 0.458) 19.156 1.386 ( -0.195 -0.128 4.689) 4.695 1.701 ( 5.392 -0.787 1.870) 5.761 1.939 ( -6.913 2.463 9.762) 12.213 2.391 ( 2.621 20.486 0.445) 20.658 2.497 ( -1.335 22.914 0.480) 22.958 2.784 ( 10.295 -2.250 -4.971) 11.651 3.388 ( -15.771 -0.869 -5.240) 16.642 4.256 ( -0.490 0.908 1.676) 1.968 4.322 ( -4.759 0.936 2.626) 5.515 5.278 ( 13.256 -5.451 1.613) 14.424 5.540 ( 6.389 -7.939 -2.879) 10.589 5.829 ( 9.667 1.959 -2.925) 10.288 5.993 ( -4.092 -1.829 0.253) 4.489 6.250 ( -9.637 -3.979 -5.478) 11.778 6.300 ( -8.196 -0.914 -2.790) 8.706 6.409 ( 4.133 5.947 6.975) 10.055 6.749 ( -6.809 1.789 6.706) 9.722 7.262 ( 2.449 -0.239 1.573) 2.921 7.399 ( -2.027 -6.666 6.800) 9.736 8.697 ( 6.322 -11.919 -13.347) 18.978 8.855 ( -0.778 -12.958 -8.326) 15.422 10.153 ( 0.240 -4.619 -1.267) 4.796 10.183 ( 1.082 -5.643 -1.212) 5.872 10.296 ( -1.895 -1.515 3.820) 4.526 10.370 ( -3.684 -1.802 1.290) 4.300 11.722 ( 3.667 -7.673 6.333) 10.603 11.927 ( -5.796 -4.667 4.249) 8.568 12.428 ( 2.415 11.132 -4.379) 12.203 12.596 ( -6.237 21.583 -3.560) 22.747 13.239 ( 0.243 1.099 0.076) 1.128 13.282 ( -1.780 4.768 -0.414) 5.106 15.508 ( 10.159 -9.015 0.206) 13.584 15.881 ( -7.348 -12.298 -5.002) 15.174 ======================= Grid point 148 (50/160) ======================= q-point: (-0.50 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -8.427 3.063 3.884) 9.772 1.276 ( 8.427 3.063 3.884) 9.772 1.297 ( -3.125 16.025 1.762) 16.422 1.297 ( 3.125 16.025 1.762) 16.422 1.813 ( -6.013 -1.096 7.028) 9.314 1.813 ( 6.013 -1.096 7.028) 9.314 2.449 ( -3.018 21.398 0.548) 21.617 2.449 ( 3.018 21.398 0.548) 21.617 3.063 ( -16.553 -0.191 -4.955) 17.280 3.063 ( 16.553 -0.191 -4.955) 17.280 4.262 ( -1.431 1.436 2.324) 3.084 4.262 ( 1.431 1.436 2.324) 3.084 5.529 ( -9.184 -11.084 0.051) 14.395 5.529 ( 9.184 -11.084 0.051) 14.395 5.962 ( -0.249 -9.091 -0.137) 9.095 5.962 ( 0.249 -9.091 -0.137) 9.095 6.114 ( -5.327 11.298 -4.657) 13.331 6.114 ( 5.327 11.298 -4.657) 13.331 6.595 ( -9.159 1.476 7.010) 11.627 6.595 ( 9.159 1.476 7.010) 11.627 7.333 ( -4.180 -3.626 3.565) 6.582 7.333 ( 4.180 -3.626 3.565) 6.582 8.803 ( -4.246 -11.442 -12.223) 17.273 8.803 ( 4.246 -11.442 -12.223) 17.273 10.171 ( -1.448 -5.966 -0.462) 6.156 10.171 ( 1.448 -5.966 -0.462) 6.156 10.309 ( -2.432 -1.931 2.454) 3.958 10.309 ( 2.432 -1.931 2.454) 3.958 11.816 ( -5.457 -6.802 5.042) 10.073 11.816 ( 5.457 -6.802 5.042) 10.073 12.493 ( -4.279 16.450 -3.571) 17.369 12.493 ( 4.279 16.450 -3.571) 17.369 13.253 ( -1.146 2.507 -0.364) 2.780 13.253 ( 1.146 2.507 -0.364) 2.780 15.708 ( -9.828 -10.425 -2.702) 14.579 15.708 ( 9.828 -10.425 -2.702) 14.579 ======================= Grid point 153 (51/160) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.728 ( 0.000 20.008 3.952) 20.394 0.730 ( 0.000 12.905 12.957) 18.287 1.460 ( 0.000 26.800 9.966) 28.593 1.607 ( 0.000 12.245 -7.955) 14.602 1.734 ( 0.000 25.616 -2.055) 25.698 2.337 ( 0.000 7.712 9.513) 12.247 2.646 ( 0.000 3.503 -3.967) 5.293 2.811 ( 0.000 25.832 3.350) 26.049 2.954 ( 0.000 24.838 -2.528) 24.967 3.824 ( 0.000 -6.015 -6.901) 9.155 4.208 ( 0.000 -2.957 2.565) 3.915 4.585 ( 0.000 -9.656 -2.568) 9.992 5.188 ( 0.000 6.199 -1.932) 6.493 5.444 ( 0.000 4.787 -6.191) 7.826 5.637 ( 0.000 7.941 1.850) 8.154 5.757 ( 0.000 5.148 -12.140) 13.186 6.349 ( 0.000 -1.717 8.050) 8.231 6.564 ( 0.000 -12.911 -0.788) 12.935 6.720 ( 0.000 -8.269 -7.947) 11.469 7.022 ( 0.000 -10.836 0.243) 10.838 7.080 ( 0.000 -5.812 2.216) 6.220 7.257 ( 0.000 0.467 -5.358) 5.378 7.863 ( 0.000 -21.889 13.171) 25.546 8.470 ( 0.000 -4.395 -0.162) 4.398 9.936 ( 0.000 -11.035 -0.469) 11.045 10.203 ( 0.000 -0.863 -1.438) 1.677 10.287 ( 0.000 -7.624 1.696) 7.811 10.634 ( 0.000 1.025 -4.090) 4.216 11.794 ( 0.000 -7.452 1.210) 7.550 12.125 ( 0.000 -8.865 6.460) 10.969 12.290 ( 0.000 -3.531 -9.931) 10.540 12.978 ( 0.000 -13.119 -1.446) 13.199 13.275 ( 0.000 4.827 0.868) 4.904 14.286 ( 0.000 8.064 -31.523) 32.538 15.071 ( 0.000 -1.304 4.667) 4.846 15.351 ( 0.000 -12.499 14.915) 19.460 ======================= Grid point 154 (52/160) ======================= q-point: ( 0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 6.466 13.089 9.851) 17.612 0.857 ( 11.137 14.022 4.287) 18.413 1.511 ( 4.650 25.188 9.107) 27.185 1.585 ( -0.806 13.379 -5.810) 14.608 1.777 ( 2.888 22.215 -3.075) 22.612 2.306 ( -3.183 8.146 9.162) 12.666 2.628 ( -1.605 1.516 -3.225) 3.908 2.805 ( -0.485 25.214 2.416) 25.334 2.965 ( 1.322 25.675 -1.685) 25.765 3.768 ( -5.534 -4.915 -6.650) 9.950 4.223 ( 1.302 -2.376 2.268) 3.533 4.536 ( -4.498 -6.459 -1.893) 8.095 5.207 ( 2.331 2.227 -2.161) 3.881 5.354 ( -8.035 7.358 -5.204) 12.074 5.652 ( 1.890 5.160 -0.977) 5.581 5.860 ( 9.050 3.567 -7.196) 12.100 6.221 ( -9.824 -3.695 2.478) 10.785 6.495 ( -5.875 -14.119 3.889) 15.779 6.705 ( -2.425 -2.520 -3.593) 5.014 7.019 ( -3.897 -1.709 0.911) 4.352 7.084 ( 3.758 -9.693 1.222) 10.467 7.287 ( 1.254 -2.819 -0.320) 3.102 7.976 ( 10.273 -22.502 4.343) 25.114 8.486 ( 1.510 -7.050 -0.509) 7.228 9.938 ( 0.366 -11.543 -0.155) 11.550 10.191 ( -1.180 -0.758 -1.931) 2.387 10.292 ( 0.363 -7.230 1.487) 7.390 10.570 ( -6.269 0.789 -3.833) 7.390 11.732 ( -4.945 -4.512 2.965) 7.322 12.079 ( -4.051 -7.219 5.678) 10.039 12.334 ( 3.659 -4.248 -8.515) 10.195 12.940 ( -3.542 -11.542 -2.326) 12.295 13.282 ( 0.646 5.111 0.878) 5.226 14.070 ( -17.330 19.271 -20.376) 32.968 15.034 ( 0.929 -7.429 8.681) 11.464 15.523 ( 9.642 -15.997 3.015) 18.920 ======================= Grid point 155 (53/160) ======================= q-point: ( 0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 9.830 10.426 6.622) 15.786 1.111 ( 13.320 8.182 2.786) 15.879 1.585 ( 2.110 17.700 0.824) 17.845 1.628 ( 5.000 14.774 3.412) 15.966 1.812 ( 0.299 19.337 -2.047) 19.447 2.213 ( -6.143 9.685 8.172) 14.082 2.608 ( 0.555 -1.630 -2.187) 2.783 2.802 ( 0.289 23.157 0.949) 23.178 3.005 ( 2.517 26.715 -0.576) 26.840 3.617 ( -9.572 -1.824 -5.941) 11.412 4.250 ( 1.262 -1.129 1.803) 2.473 4.433 ( -5.334 -1.757 -0.635) 5.651 5.212 ( -4.439 6.335 -1.412) 7.864 5.286 ( 5.463 -3.493 -2.327) 6.889 5.698 ( 1.860 -2.772 -2.235) 4.018 6.010 ( -4.241 -4.232 7.660) 9.725 6.072 ( 3.560 -5.066 -11.080) 12.693 6.367 ( -5.930 -7.685 1.693) 9.854 6.634 ( -3.933 3.527 2.487) 5.839 6.926 ( -5.129 2.625 1.802) 6.036 7.160 ( 3.464 -7.491 1.032) 8.318 7.285 ( -0.913 -4.438 5.203) 6.899 8.198 ( 10.916 -21.231 -5.769) 24.560 8.522 ( 1.808 -12.907 -1.873) 13.167 9.953 ( 1.180 -12.295 0.370) 12.357 10.161 ( -1.748 -0.320 -3.121) 3.591 10.291 ( -0.767 -5.827 1.164) 5.991 10.413 ( -8.683 -0.702 -1.979) 8.933 11.658 ( -1.674 -1.063 5.516) 5.862 11.987 ( -5.065 -4.067 4.647) 7.986 12.411 ( 4.049 -4.713 -6.497) 8.990 12.851 ( -5.395 -8.846 -3.377) 10.898 13.300 ( 1.267 6.463 0.425) 6.600 13.753 ( -13.534 23.214 -9.037) 28.350 15.117 ( 6.617 -11.889 5.446) 14.656 15.625 ( 0.790 -17.865 -1.739) 17.966 ======================= Grid point 156 (54/160) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 10.066 7.909 3.696) 13.324 1.331 ( 7.368 4.727 1.623) 8.903 1.610 ( 0.591 16.130 2.607) 16.350 1.736 ( 5.702 6.672 4.190) 9.726 1.785 ( -2.246 21.932 0.226) 22.048 2.073 ( -7.972 11.529 7.031) 15.681 2.676 ( 6.044 -2.772 -2.506) 7.105 2.810 ( 0.160 17.844 0.129) 17.845 3.060 ( 3.528 26.770 -0.436) 27.005 3.402 ( -11.860 4.287 -4.687) 13.454 4.272 ( 1.008 0.374 1.403) 1.768 4.344 ( -3.508 0.924 0.439) 3.654 5.212 ( 4.270 -1.039 0.657) 4.443 5.394 ( 3.755 -6.647 -1.370) 7.756 5.685 ( -2.607 -14.153 0.415) 14.397 5.865 ( -6.961 -8.147 0.066) 10.716 6.147 ( 2.023 -5.492 -4.284) 7.254 6.300 ( -2.434 -1.817 -1.472) 3.375 6.602 ( 2.106 9.897 4.954) 11.266 6.820 ( -5.754 5.341 2.308) 8.183 7.214 ( 2.084 -4.658 1.987) 5.476 7.267 ( -0.812 -4.927 5.856) 7.696 8.381 ( 7.592 -19.296 -9.114) 22.651 8.540 ( -0.412 -17.350 -4.857) 18.022 9.984 ( 1.994 -11.048 0.539) 11.239 10.119 ( -3.136 -1.565 -3.791) 5.163 10.246 ( -2.815 -3.276 2.167) 4.832 10.292 ( -3.039 -3.953 -0.271) 4.993 11.676 ( 3.234 -0.141 5.808) 6.649 11.882 ( -5.654 -1.477 4.402) 7.316 12.497 ( 4.879 -5.006 -4.883) 8.527 12.733 ( -6.432 -6.711 -3.646) 9.985 13.338 ( 2.739 8.952 -0.599) 9.380 13.542 ( -8.322 18.348 -4.232) 20.587 15.271 ( 8.604 -13.911 1.847) 16.461 15.576 ( -5.255 -16.858 -2.185) 17.793 ======================= Grid point 157 (55/160) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -6.427 5.531 1.702) 8.649 1.330 ( 6.427 5.531 1.702) 8.649 1.677 ( -5.765 13.836 3.260) 15.340 1.677 ( 5.765 13.836 3.260) 15.340 1.905 ( -8.772 13.238 4.904) 16.621 1.905 ( 8.772 13.238 4.904) 16.621 2.785 ( -3.469 6.240 -1.273) 7.252 2.785 ( 3.469 6.240 -1.273) 7.252 3.181 ( -9.370 16.793 -2.416) 19.381 3.181 ( 9.370 16.793 -2.416) 19.381 4.295 ( -1.607 1.483 1.013) 2.410 4.295 ( 1.607 1.483 1.013) 2.410 5.344 ( -7.473 -7.562 1.145) 10.693 5.344 ( 7.473 -7.562 1.145) 10.693 5.724 ( -6.646 -12.863 -1.101) 14.520 5.724 ( 6.646 -12.863 -1.101) 14.520 6.219 ( -4.949 -1.505 -1.976) 5.537 6.219 ( 4.949 -1.505 -1.976) 5.537 6.699 ( -6.291 8.203 3.366) 10.872 6.699 ( 6.291 8.203 3.366) 10.872 7.247 ( -1.356 -4.193 3.975) 5.935 7.247 ( 1.356 -4.193 3.975) 5.935 8.496 ( -4.062 -18.642 -8.116) 20.733 8.496 ( 4.062 -18.642 -8.116) 20.733 10.040 ( -3.847 -6.934 -0.537) 7.948 10.040 ( 3.847 -6.934 -0.537) 7.948 10.244 ( -1.846 -3.222 0.494) 3.746 10.244 ( 1.846 -3.222 0.494) 3.746 11.768 ( -5.635 -0.320 4.989) 7.533 11.768 ( 5.635 -0.320 4.989) 7.533 12.606 ( -6.183 -5.498 -3.947) 9.167 12.606 ( 6.183 -5.498 -3.947) 9.167 13.413 ( -5.002 12.831 -2.008) 13.917 13.413 ( 5.002 12.831 -2.008) 13.917 15.439 ( -8.145 -15.357 -0.847) 17.404 15.439 ( 8.145 -15.357 -0.847) 17.404 ======================= Grid point 162 (56/160) ======================= q-point: ( 0.00 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 18.904 6.570) 20.014 1.133 ( 0.000 19.783 2.109) 19.895 1.815 ( 0.000 11.635 -4.257) 12.389 1.945 ( 0.000 17.061 6.124) 18.127 2.213 ( 0.000 21.108 -3.123) 21.338 2.556 ( 0.000 14.325 7.680) 16.254 2.712 ( 0.000 3.267 -2.673) 4.221 3.333 ( 0.000 25.430 2.145) 25.521 3.431 ( 0.000 19.896 -5.753) 20.711 3.719 ( 0.000 -2.374 -1.915) 3.051 4.149 ( 0.000 -2.349 1.958) 3.059 4.366 ( 0.000 -11.412 -1.444) 11.503 5.322 ( 0.000 5.991 -4.675) 7.599 5.529 ( 0.000 2.399 -7.943) 8.297 5.758 ( 0.000 4.705 2.749) 5.449 5.764 ( 0.000 -4.971 -5.548) 7.449 6.210 ( 0.000 -6.672 9.821) 11.873 6.272 ( 0.000 -15.776 -0.931) 15.803 6.670 ( 0.000 1.156 -1.498) 1.892 6.816 ( 0.000 -8.709 1.994) 8.934 6.925 ( 0.000 -9.115 4.934) 10.365 7.260 ( 0.000 -0.093 -4.094) 4.095 7.500 ( 0.000 -14.392 5.218) 15.309 8.403 ( 0.000 -3.518 -4.273) 5.535 9.666 ( 0.000 -14.999 1.282) 15.054 10.140 ( 0.000 -5.813 -0.739) 5.860 10.199 ( 0.000 -0.664 2.090) 2.192 10.642 ( 0.000 -0.398 -5.826) 5.839 11.584 ( 0.000 -13.297 3.757) 13.817 11.867 ( 0.000 -15.877 5.106) 16.678 12.180 ( 0.000 -7.764 -9.631) 12.371 12.665 ( 0.000 -17.992 0.238) 17.994 13.403 ( 0.000 7.194 0.571) 7.217 14.293 ( 0.000 -5.478 -21.736) 22.415 15.036 ( 0.000 -2.268 4.167) 4.745 15.152 ( 0.000 -7.602 11.886) 14.109 ======================= Grid point 163 (57/160) ======================= q-point: ( 0.12 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 4.648 18.061 5.629) 19.481 1.188 ( 5.448 17.616 1.788) 18.526 1.814 ( -0.250 10.885 -4.819) 11.907 1.943 ( 0.020 16.048 6.888) 17.463 2.222 ( 0.620 20.278 -2.893) 20.492 2.536 ( -1.991 14.770 7.168) 16.538 2.671 ( -3.668 2.658 -2.031) 4.964 3.281 ( -4.522 19.504 -0.234) 20.023 3.461 ( 2.306 22.991 -2.344) 23.225 3.693 ( -2.142 -0.389 -2.858) 3.592 4.181 ( 2.809 -1.035 1.814) 3.501 4.366 ( -0.153 -9.744 -1.427) 9.849 5.285 ( -2.842 4.717 -3.499) 6.525 5.469 ( -5.245 1.823 -7.698) 9.492 5.671 ( -6.241 -1.455 1.560) 6.595 5.869 ( 5.845 -3.148 -5.465) 8.599 6.109 ( -9.999 -5.963 2.666) 11.944 6.225 ( -0.335 -10.497 6.222) 12.207 6.670 ( -0.624 -1.663 2.041) 2.706 6.900 ( 6.053 -6.439 2.650) 9.226 6.953 ( 2.206 -6.387 1.901) 7.020 7.244 ( -1.425 -1.013 -2.006) 2.661 7.579 ( 7.801 -16.669 2.816) 18.618 8.369 ( -3.337 -5.991 -4.292) 8.090 9.667 ( 0.322 -14.550 1.653) 14.648 10.133 ( -0.541 -5.388 -1.278) 5.564 10.207 ( 0.649 -0.734 1.620) 1.893 10.579 ( -6.370 -0.174 -4.941) 8.064 11.573 ( -0.860 -11.545 4.488) 12.416 11.861 ( -0.474 -14.052 4.127) 14.653 12.199 ( 1.628 -8.973 -8.942) 12.772 12.639 ( -2.589 -18.007 -0.264) 18.194 13.418 ( 1.440 7.510 0.703) 7.679 14.250 ( -4.869 0.371 -20.993) 21.553 14.910 ( -5.987 -4.392 11.695) 13.853 15.259 ( 5.117 -10.676 4.129) 12.538 ======================= Grid point 164 (58/160) ======================= q-point: ( 0.25 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 7.265 15.984 3.556) 17.914 1.331 ( 8.420 13.259 1.108) 15.746 1.809 ( 0.098 8.847 -2.874) 9.302 1.935 ( -1.482 12.569 6.348) 14.159 2.232 ( 0.435 20.031 -1.903) 20.126 2.477 ( -4.107 15.399 6.074) 17.056 2.601 ( -2.206 1.120 -1.872) 3.102 3.162 ( -7.783 9.289 -1.472) 12.208 3.512 ( 2.880 23.225 0.197) 23.403 3.658 ( -1.114 8.613 -3.445) 9.343 4.238 ( 2.586 0.891 1.366) 3.058 4.356 ( -0.882 -5.899 -1.367) 6.119 5.253 ( 0.287 0.195 -2.541) 2.565 5.334 ( -7.417 4.571 -4.420) 9.769 5.535 ( -7.345 -9.588 1.907) 12.228 5.866 ( -8.213 -10.862 -4.189) 14.248 6.001 ( 1.373 -0.981 0.077) 1.689 6.232 ( 0.234 -6.389 5.438) 8.394 6.672 ( 1.547 0.347 2.601) 3.046 6.945 ( -1.127 -1.822 -0.329) 2.167 7.038 ( 5.641 -5.229 4.168) 8.748 7.219 ( -0.799 -0.739 0.665) 1.275 7.772 ( 10.613 -20.173 -0.173) 22.795 8.283 ( -4.966 -12.052 -4.134) 13.675 9.691 ( 2.380 -12.892 2.239) 13.300 10.124 ( -0.289 -3.839 -2.538) 4.611 10.216 ( -0.062 -0.960 0.607) 1.137 10.405 ( -10.509 -0.390 -2.284) 10.761 11.571 ( 1.168 -8.347 4.862) 9.730 11.851 ( -0.772 -9.873 2.573) 10.232 12.232 ( 1.743 -11.960 -7.086) 14.010 12.567 ( -4.590 -18.191 -1.207) 18.800 13.460 ( 2.904 8.407 0.585) 8.913 14.090 ( -10.819 10.377 -13.942) 20.473 14.880 ( 2.839 -11.000 8.988) 14.486 15.308 ( -0.185 -13.570 0.700) 13.589 ======================= Grid point 165 (59/160) ======================= q-point: ( 0.38 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 7.829 13.686 1.439) 15.833 1.484 ( 5.834 10.316 -0.054) 11.852 1.819 ( 0.486 5.789 1.606) 6.027 1.874 ( -4.010 8.599 6.288) 11.382 2.245 ( 1.157 21.544 -0.489) 21.580 2.381 ( -5.186 16.598 3.659) 17.770 2.623 ( 4.627 -1.607 -2.669) 5.578 2.977 ( -10.572 -0.358 -2.246) 10.814 3.572 ( 2.988 22.938 0.477) 23.137 3.644 ( -0.637 18.702 -1.863) 18.805 4.278 ( 1.592 1.196 0.749) 2.127 4.333 ( -1.347 -2.423 -0.988) 2.943 5.227 ( -2.553 1.857 -1.449) 3.473 5.296 ( 2.124 -2.300 -0.590) 3.186 5.397 ( -4.392 -12.869 0.088) 13.598 5.675 ( -10.253 -10.396 -2.344) 14.789 6.054 ( 3.497 -4.081 -0.215) 5.379 6.207 ( -2.851 -6.325 4.735) 8.400 6.732 ( 4.098 2.542 0.097) 4.824 6.895 ( -3.539 0.269 -1.059) 3.704 7.137 ( 4.236 -3.129 3.926) 6.569 7.215 ( 0.045 0.869 2.262) 2.424 7.961 ( 8.108 -21.620 -1.610) 23.146 8.186 ( -4.811 -18.151 -3.499) 19.101 9.769 ( 5.596 -9.751 2.299) 11.476 10.091 ( -6.324 -1.581 -2.909) 7.139 10.182 ( -1.836 -2.824 0.563) 3.415 10.244 ( -3.466 -1.118 -0.657) 3.701 11.627 ( 4.369 -5.875 3.810) 8.254 11.816 ( -3.154 -5.940 1.894) 6.987 12.276 ( 3.004 -15.542 -4.765) 16.531 12.464 ( -5.609 -18.298 -2.047) 19.247 13.537 ( 5.179 9.755 -0.345) 11.050 13.865 ( -11.215 12.904 -6.503) 18.292 14.989 ( 7.308 -13.672 3.556) 15.906 15.258 ( -4.592 -14.244 -0.311) 14.970 ======================= Grid point 166 (60/160) ======================= q-point: (-0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -4.154 11.692 -0.462) 12.416 1.503 ( 4.154 11.692 -0.462) 12.416 1.824 ( -0.856 4.807 5.911) 7.667 1.824 ( 0.856 4.807 5.911) 7.667 2.291 ( -3.650 20.555 0.890) 20.895 2.291 ( 3.650 20.555 0.890) 20.895 2.770 ( -9.733 -4.052 -2.775) 10.902 2.770 ( 9.733 -4.052 -2.775) 10.902 3.621 ( -1.876 22.882 -0.278) 22.961 3.621 ( 1.876 22.882 -0.278) 22.961 4.306 ( -1.353 -0.215 -0.110) 1.374 4.306 ( 1.353 -0.215 -0.110) 1.374 5.239 ( -3.506 -2.677 0.687) 4.464 5.239 ( 3.506 -2.677 0.687) 4.464 5.481 ( -8.863 -10.895 -2.438) 14.255 5.481 ( 8.863 -10.895 -2.438) 14.255 6.133 ( -4.261 -5.603 2.638) 7.518 6.133 ( 4.261 -5.603 2.638) 7.518 6.817 ( -4.266 1.769 -1.038) 4.734 6.817 ( 4.266 1.769 -1.038) 4.734 7.199 ( -1.964 -0.146 2.980) 3.572 7.199 ( 1.964 -0.146 2.980) 3.572 8.090 ( -5.295 -21.258 -2.546) 22.055 8.090 ( 5.295 -21.258 -2.546) 22.055 9.913 ( -8.974 -5.502 1.161) 10.590 9.913 ( 8.974 -5.502 1.161) 10.590 10.199 ( -1.955 -1.586 -1.219) 2.797 10.199 ( 1.955 -1.586 -1.219) 2.797 11.728 ( -5.367 -4.743 2.450) 7.569 11.728 ( 5.367 -4.743 2.450) 7.569 12.356 ( -5.073 -17.676 -3.038) 18.639 12.356 ( 5.073 -17.676 -3.038) 18.639 13.670 ( -8.373 11.526 -2.413) 14.449 13.670 ( 8.373 11.526 -2.413) 14.449 15.138 ( -7.275 -14.133 0.553) 15.905 15.138 ( 7.275 -14.133 0.553) 15.905 ======================= Grid point 171 (61/160) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.451 ( 0.000 20.014 2.630) 20.186 1.500 ( 0.000 16.878 1.919) 16.987 2.017 ( 0.000 8.850 -4.170) 9.784 2.213 ( 0.000 11.456 6.452) 13.148 2.522 ( 0.000 8.796 -5.624) 10.440 2.779 ( 0.000 3.500 -0.402) 3.523 2.845 ( 0.000 12.199 6.004) 13.596 3.528 ( 0.000 -4.660 -5.575) 7.266 3.783 ( 0.000 18.669 -0.723) 18.683 3.906 ( 0.000 13.858 -1.405) 13.929 4.154 ( 0.000 3.889 2.991) 4.906 4.201 ( 0.000 -2.382 1.802) 2.987 5.297 ( 0.000 -9.842 -5.591) 11.319 5.477 ( 0.000 -7.732 -7.671) 10.892 5.739 ( 0.000 6.587 0.303) 6.594 5.879 ( 0.000 6.970 1.793) 7.197 5.969 ( 0.000 -12.845 -0.282) 12.848 6.091 ( 0.000 -7.380 5.758) 9.360 6.689 ( 0.000 -4.208 1.389) 4.431 6.715 ( 0.000 2.356 4.714) 5.270 6.774 ( 0.000 -4.344 4.150) 6.008 7.257 ( 0.000 -0.152 -1.392) 1.400 7.297 ( 0.000 -5.973 1.697) 6.209 8.269 ( 0.000 -11.348 -7.303) 13.495 9.392 ( 0.000 -11.064 3.084) 11.486 9.964 ( 0.000 -11.848 -0.413) 11.855 10.264 ( 0.000 6.868 1.198) 6.971 10.616 ( 0.000 -2.159 -6.266) 6.627 11.285 ( 0.000 -16.105 7.292) 17.678 11.540 ( 0.000 -15.863 3.319) 16.206 11.977 ( 0.000 -12.463 -8.084) 14.855 12.277 ( 0.000 -20.437 0.995) 20.461 13.537 ( 0.000 5.856 -1.117) 5.962 14.132 ( 0.000 -9.319 -15.418) 18.016 14.983 ( 0.000 -2.933 3.612) 4.653 15.033 ( 0.000 -4.763 7.926) 9.247 ======================= Grid point 172 (62/160) ======================= q-point: ( 0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 3.657 19.892 2.160) 20.341 1.524 ( 2.523 15.641 1.723) 15.936 2.010 ( -0.931 8.973 -4.487) 10.075 2.192 ( -1.814 10.599 6.645) 12.641 2.525 ( 0.330 9.014 -5.630) 10.633 2.724 ( -5.210 3.128 1.158) 6.186 2.833 ( -1.271 12.092 4.319) 12.903 3.417 ( -9.736 -3.065 -3.760) 10.878 3.840 ( 3.195 13.479 -2.137) 14.016 3.885 ( 0.385 16.954 -0.347) 16.962 4.196 ( 2.618 -0.927 0.881) 2.913 4.243 ( 4.311 3.738 2.608) 6.274 5.297 ( -0.135 -8.715 -5.022) 10.059 5.365 ( -8.080 -4.917 -4.962) 10.681 5.750 ( -5.962 7.250 -2.285) 9.660 5.789 ( -6.962 -5.229 -2.080) 8.952 5.934 ( 1.884 -4.708 4.510) 6.786 6.129 ( 1.264 -4.227 4.794) 6.515 6.632 ( -1.588 -2.028 1.124) 2.811 6.808 ( 3.622 -6.339 2.760) 7.805 6.822 ( 5.524 -2.075 5.592) 8.130 7.245 ( -0.310 0.823 -0.707) 1.128 7.337 ( 3.633 -7.560 1.573) 8.534 8.192 ( -7.395 -12.847 -6.569) 16.213 9.410 ( 1.931 -10.159 3.160) 10.813 9.969 ( 0.696 -11.138 -0.952) 11.200 10.263 ( -0.142 6.128 0.721) 6.172 10.560 ( -5.792 -1.666 -4.785) 7.695 11.292 ( 0.928 -15.786 6.564) 17.122 11.559 ( 1.880 -15.166 2.717) 15.522 11.979 ( -0.058 -13.027 -7.764) 15.165 12.247 ( -2.978 -20.690 0.809) 20.919 13.556 ( 1.918 6.067 -0.727) 6.404 14.160 ( 2.490 -7.459 -15.946) 17.780 14.855 ( -8.835 -1.767 8.755) 12.563 15.085 ( 1.668 -7.162 3.530) 8.157 ======================= Grid point 173 (63/160) ======================= q-point: ( 0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 5.273 18.694 1.084) 19.454 1.602 ( 5.279 13.621 1.276) 14.664 1.975 ( -2.442 8.235 -2.501) 8.946 2.149 ( -2.800 10.018 5.013) 11.547 2.531 ( -0.296 6.392 -4.625) 7.896 2.610 ( -4.530 4.828 1.661) 6.826 2.797 ( -2.298 12.058 1.822) 12.409 3.182 ( -13.688 -3.875 -2.404) 14.428 3.863 ( 1.761 12.354 -0.606) 12.494 3.967 ( 4.979 18.684 -0.484) 19.342 4.239 ( 1.882 -3.051 -0.245) 3.593 4.332 ( 3.745 7.659 1.490) 8.655 5.225 ( -5.296 -6.938 -3.249) 9.313 5.286 ( -1.331 -2.764 -4.573) 5.506 5.516 ( -11.983 1.617 -0.402) 12.098 5.693 ( -6.803 -2.158 -2.315) 7.504 5.949 ( -0.384 -3.329 2.197) 4.007 6.135 ( -0.842 -4.055 6.163) 7.425 6.643 ( 2.427 -3.497 -2.150) 4.768 6.843 ( -0.040 -8.168 2.504) 8.543 6.950 ( 7.028 -2.184 4.601) 8.679 7.255 ( 1.162 2.825 0.142) 3.058 7.438 ( 6.330 -12.726 2.702) 14.468 8.010 ( -10.147 -15.723 -4.422) 19.229 9.476 ( 4.999 -8.184 3.284) 10.136 9.998 ( 2.287 -8.977 -2.112) 9.502 10.249 ( -1.905 3.778 -0.259) 4.239 10.393 ( -10.526 -0.747 -1.483) 10.656 11.335 ( 3.682 -14.463 4.589) 15.614 11.606 ( 2.576 -13.762 1.663) 14.099 11.964 ( -1.558 -14.759 -6.507) 16.204 12.165 ( -5.171 -21.231 0.221) 21.852 13.611 ( 3.745 6.646 -0.080) 7.629 14.187 ( -1.693 0.099 -15.105) 15.199 14.707 ( -3.979 -5.977 10.846) 13.007 15.084 ( -1.777 -9.235 1.190) 9.480 ======================= Grid point 174 (64/160) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 5.542 14.512 -0.058) 15.535 1.715 ( 5.589 14.767 0.641) 15.802 1.927 ( -2.065 5.595 1.978) 6.283 2.062 ( -6.200 11.319 2.965) 13.242 2.513 ( 1.342 -2.497 -0.016) 2.835 2.606 ( 2.421 13.422 -2.620) 13.888 2.744 ( -3.036 11.467 -0.813) 11.890 2.901 ( -14.153 -5.435 -2.138) 15.311 3.924 ( 4.044 12.849 0.496) 13.480 4.032 ( 0.960 17.534 0.890) 17.582 4.281 ( 2.696 -0.332 -1.218) 2.977 4.372 ( 0.156 8.415 0.000) 8.417 5.166 ( -0.837 -7.559 -2.684) 8.065 5.248 ( -2.766 -1.651 -4.418) 5.467 5.338 ( -4.533 3.213 0.833) 5.618 5.526 ( -9.308 -1.370 -1.627) 9.548 5.956 ( 1.634 -5.755 2.451) 6.465 6.090 ( -3.525 -5.436 6.211) 8.976 6.706 ( 3.525 -4.919 -2.957) 6.736 6.819 ( -2.029 -6.975 1.204) 7.363 7.089 ( 6.842 -1.684 0.656) 7.076 7.268 ( -0.715 2.388 0.208) 2.502 7.566 ( 6.457 -16.933 3.907) 18.539 7.825 ( -8.130 -17.512 -0.527) 19.314 9.612 ( 8.944 -5.783 3.245) 11.134 10.039 ( -2.043 -4.366 -2.832) 5.591 10.126 ( -6.861 -2.590 1.519) 7.489 10.243 ( -3.994 0.736 -1.359) 4.283 11.438 ( 6.534 -12.422 2.440) 14.247 11.637 ( -0.353 -11.597 0.774) 11.629 11.931 ( -0.915 -17.975 -4.180) 18.478 12.055 ( -5.706 -21.752 -0.680) 22.498 13.708 ( 6.264 7.436 -0.029) 9.723 14.060 ( -9.859 7.262 -6.660) 13.939 14.741 ( 6.197 -11.148 4.490) 13.522 15.015 ( -5.146 -10.395 0.055) 11.600 ======================= Grid point 175 (65/160) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -1.498 13.523 -0.500) 13.615 1.772 ( 1.498 13.523 -0.500) 13.615 1.937 ( -4.650 8.198 3.783) 10.156 1.937 ( 4.650 8.198 3.783) 10.156 2.617 ( -6.635 5.741 0.319) 8.780 2.617 ( 6.635 5.741 0.319) 8.780 2.697 ( -2.356 2.656 -3.892) 5.268 2.697 ( 2.356 2.656 -3.892) 5.268 4.003 ( -3.400 14.054 1.136) 14.504 4.003 ( 3.400 14.054 1.136) 14.504 4.342 ( -2.876 5.821 -1.024) 6.572 4.342 ( 2.876 5.821 -1.024) 6.572 5.183 ( -2.500 -4.901 -2.553) 6.065 5.183 ( 2.500 -4.901 -2.553) 6.065 5.366 ( -5.955 1.475 -0.984) 6.213 5.366 ( 5.955 1.475 -0.984) 6.213 6.013 ( -3.828 -6.448 4.411) 8.700 6.013 ( 3.828 -6.448 4.411) 8.700 6.770 ( -2.878 -5.736 -0.984) 6.493 6.770 ( 2.878 -5.736 -0.984) 6.493 7.209 ( -5.047 -0.335 -1.257) 5.212 7.209 ( 5.047 -0.335 -1.257) 5.212 7.689 ( -6.168 -17.771 3.358) 19.108 7.689 ( 6.168 -17.771 3.358) 19.108 9.825 ( -12.434 -3.226 2.427) 13.073 9.825 ( 12.434 -3.226 2.427) 13.073 10.164 ( -4.213 -2.391 -1.914) 5.208 10.164 ( 4.213 -2.391 -1.914) 5.208 11.570 ( -6.008 -10.693 0.848) 12.295 11.570 ( 6.008 -10.693 0.848) 12.295 11.958 ( -3.615 -21.075 -1.918) 21.469 11.958 ( 3.615 -21.075 -1.918) 21.469 13.862 ( -9.342 8.085 -1.546) 12.451 13.862 ( 9.342 8.085 -1.546) 12.451 14.887 ( -7.585 -11.203 0.658) 13.545 14.887 ( 7.585 -11.203 0.658) 13.545 ======================= Grid point 180 (66/160) ======================= q-point: ( 0.00 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 0.000 13.342 2.058) 13.500 1.807 ( 0.000 15.095 0.410) 15.101 2.169 ( 0.000 6.208 -3.089) 6.934 2.456 ( 0.000 13.669 4.534) 14.401 2.573 ( 0.000 -2.536 -6.711) 7.174 2.841 ( 0.000 2.818 0.852) 2.944 2.990 ( 0.000 2.662 4.557) 5.278 3.387 ( 0.000 -8.980 -2.354) 9.283 4.072 ( 0.000 11.512 -4.007) 12.189 4.119 ( 0.000 10.094 -3.974) 10.848 4.281 ( 0.000 6.043 4.684) 7.645 4.285 ( 0.000 6.340 4.261) 7.638 5.092 ( 0.000 -7.515 -3.751) 8.399 5.273 ( 0.000 -10.976 -8.031) 13.601 5.713 ( 0.000 -10.031 4.720) 11.086 5.802 ( 0.000 -8.280 3.452) 8.971 6.058 ( 0.000 11.968 3.993) 12.617 6.088 ( 0.000 11.024 -1.337) 11.105 6.638 ( 0.000 -0.969 -0.343) 1.028 6.718 ( 0.000 -2.352 4.449) 5.032 6.775 ( 0.000 3.287 1.819) 3.757 7.251 ( 0.000 0.548 1.047) 1.182 7.257 ( 0.000 0.164 1.544) 1.553 7.935 ( 0.000 -21.373 -5.926) 22.179 9.247 ( 0.000 -4.072 1.433) 4.317 9.682 ( 0.000 -15.581 -0.144) 15.581 10.456 ( 0.000 11.912 -0.155) 11.913 10.564 ( 0.000 -2.799 -4.987) 5.719 10.969 ( 0.000 -14.921 8.553) 17.198 11.274 ( 0.000 -10.014 2.783) 10.394 11.695 ( 0.000 -15.381 -5.692) 16.400 11.869 ( 0.000 -20.024 1.136) 20.056 13.632 ( 0.000 3.753 -3.560) 5.173 13.956 ( 0.000 -7.850 -12.186) 14.495 14.925 ( 0.000 -2.692 3.344) 4.293 14.952 ( 0.000 -3.497 5.699) 6.686 ======================= Grid point 181 (67/160) ======================= q-point: ( 0.12 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 0.431 12.239 1.640) 12.356 1.846 ( 3.589 15.058 0.608) 15.492 2.173 ( 0.126 6.840 -4.141) 7.997 2.411 ( -3.842 11.620 5.028) 13.231 2.595 ( 1.695 -0.444 -6.495) 6.727 2.774 ( -6.183 2.164 1.559) 6.734 2.983 ( -0.898 3.266 3.218) 4.672 3.298 ( -8.462 -7.889 -1.847) 11.716 4.067 ( 0.142 10.763 -3.509) 11.321 4.168 ( 4.503 11.461 -3.260) 12.738 4.271 ( 0.778 7.448 4.601) 8.789 4.370 ( 5.645 4.780 2.946) 7.962 5.107 ( 1.012 -6.911 -3.436) 7.785 5.236 ( -2.690 -7.740 -7.148) 10.874 5.623 ( -7.455 -8.367 5.278) 12.387 5.830 ( 0.975 -4.341 -0.155) 4.452 6.041 ( -2.610 11.163 1.230) 11.530 6.072 ( -1.663 4.531 2.301) 5.347 6.598 ( -3.076 -1.199 0.101) 3.302 6.706 ( -0.847 -4.278 3.845) 5.814 6.822 ( 4.162 1.727 2.832) 5.322 7.253 ( 0.259 -1.340 1.739) 2.211 7.270 ( 1.257 1.031 1.169) 2.002 7.850 ( -7.930 -20.624 -5.219) 22.704 9.275 ( 2.874 -3.928 1.664) 5.144 9.702 ( 2.182 -14.895 -0.566) 15.065 10.433 ( -2.500 10.257 -0.601) 10.575 10.519 ( -4.600 -1.977 -3.590) 6.161 10.979 ( 1.405 -14.687 7.177) 16.407 11.297 ( 2.156 -10.226 2.545) 10.756 11.688 ( -1.058 -15.887 -5.178) 16.743 11.837 ( -3.042 -19.822 1.006) 20.079 13.656 ( 2.457 4.109 -2.962) 5.630 14.006 ( 4.908 -7.345 -11.927) 14.843 14.826 ( -8.034 -1.131 5.840) 9.996 14.963 ( -0.553 -5.174 3.187) 6.102 ======================= Grid point 182 (68/160) ======================= q-point: ( 0.25 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 1.982 9.884 1.602) 10.207 1.939 ( 5.508 14.427 0.285) 15.446 2.156 ( -2.429 9.635 -4.037) 10.725 2.344 ( -1.796 8.697 4.473) 9.944 2.574 ( -6.980 3.031 -1.892) 7.841 2.681 ( 0.339 -0.350 -2.860) 2.901 2.952 ( -2.171 3.722 0.966) 4.416 3.085 ( -12.330 -5.072 -0.957) 13.367 4.091 ( 2.345 11.424 -1.906) 11.817 4.279 ( 5.831 9.909 -2.728) 11.817 4.288 ( 0.980 9.802 4.073) 10.659 4.479 ( 4.872 4.817 1.138) 6.945 5.099 ( -1.746 -4.079 -3.114) 5.421 5.219 ( 0.871 -3.224 -5.808) 6.700 5.468 ( -7.150 -3.761 4.408) 9.204 5.783 ( -6.249 4.403 -2.643) 8.088 5.954 ( -5.663 4.684 0.756) 7.388 6.031 ( -2.181 -4.371 4.877) 6.903 6.537 ( -2.406 -6.361 -1.644) 6.997 6.697 ( -0.645 -6.025 3.133) 6.821 6.927 ( 6.407 -0.263 3.151) 7.144 7.261 ( 0.494 -4.947 2.466) 5.550 7.299 ( 1.458 0.580 1.725) 2.332 7.665 ( -9.648 -18.185 -2.836) 20.780 9.365 ( 6.532 -3.259 2.232) 7.634 9.775 ( 5.299 -12.728 -1.508) 13.870 10.332 ( -8.996 2.682 -0.282) 9.391 10.396 ( -6.737 2.606 -1.811) 7.447 11.041 ( 5.073 -13.692 4.486) 15.276 11.348 ( 2.763 -10.969 1.887) 11.467 11.647 ( -2.973 -17.111 -3.437) 17.705 11.756 ( -5.200 -18.859 0.311) 19.565 13.727 ( 4.687 5.107 -1.602) 7.115 14.130 ( 6.658 -4.807 -11.702) 14.296 14.640 ( -9.669 -1.136 8.042) 12.628 14.925 ( -3.374 -6.984 1.258) 7.857 ======================= Grid point 183 (69/160) ======================= q-point: ( 0.38 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 3.490 7.749 1.688) 8.665 2.036 ( 0.884 7.276 1.935) 7.581 2.097 ( 0.422 17.081 -1.458) 17.148 2.337 ( -2.627 15.040 -0.062) 15.268 2.435 ( -1.931 -4.143 -0.019) 4.571 2.697 ( -2.389 -4.124 -4.561) 6.597 2.855 ( -6.945 1.541 -1.246) 7.223 2.908 ( -3.223 4.742 -0.719) 5.778 4.152 ( 3.597 11.475 -0.177) 12.027 4.274 ( -1.719 9.287 3.059) 9.928 4.411 ( 6.436 10.623 -2.214) 12.617 4.542 ( 1.128 6.387 -0.629) 6.517 5.079 ( 0.393 -0.897 -2.315) 2.514 5.201 ( -3.657 -0.453 -3.676) 5.205 5.396 ( 0.588 1.559 1.906) 2.532 5.617 ( -9.256 7.001 -2.001) 11.777 5.866 ( -2.174 -1.888 1.653) 3.320 5.968 ( -4.371 -6.580 5.383) 9.559 6.530 ( 1.769 -11.734 -3.080) 12.260 6.662 ( -2.983 -9.214 1.007) 9.737 7.055 ( 6.072 -1.687 0.613) 6.332 7.245 ( -2.887 -5.720 -0.551) 6.431 7.341 ( 3.277 -4.540 5.207) 7.646 7.510 ( -5.805 -13.815 2.226) 15.150 9.537 ( 10.909 -1.933 2.775) 11.421 9.903 ( 6.824 -8.782 -2.599) 11.421 10.096 ( -13.183 -0.368 2.329) 13.392 10.257 ( -7.817 0.289 -2.295) 8.152 11.175 ( 8.174 -12.561 2.307) 15.163 11.391 ( 0.864 -11.841 1.124) 11.926 11.584 ( -3.029 -16.956 -1.695) 17.308 11.639 ( -6.036 -18.700 0.044) 19.651 13.843 ( 7.191 6.356 -0.417) 9.607 14.173 ( -4.826 4.184 -6.998) 9.474 14.547 ( 2.763 -8.109 5.215) 10.030 14.829 ( -6.366 -8.615 -0.135) 10.713 ======================= Grid point 184 (70/160) ======================= q-point: (-0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -4.688 6.725 2.256) 8.502 1.960 ( 4.688 6.725 2.256) 8.502 2.208 ( -7.306 16.014 -0.575) 17.611 2.208 ( 7.306 16.014 -0.575) 17.611 2.542 ( -9.172 -4.936 -1.864) 10.581 2.542 ( 9.172 -4.936 -1.864) 10.581 2.849 ( -2.772 5.048 -2.432) 6.251 2.849 ( 2.772 5.048 -2.432) 6.251 4.223 ( -3.289 10.615 1.542) 11.219 4.223 ( 3.289 10.615 1.542) 11.219 4.516 ( -3.722 8.741 -1.765) 9.663 4.516 ( 3.722 8.741 -1.765) 9.663 5.120 ( -3.551 0.261 -1.901) 4.036 5.120 ( 3.551 0.261 -1.901) 4.036 5.463 ( -5.784 5.768 -0.865) 8.215 5.463 ( 5.784 5.768 -0.865) 8.215 5.882 ( -3.414 -5.923 3.788) 7.815 5.882 ( 3.414 -5.923 3.788) 7.815 6.590 ( -3.844 -12.342 -1.668) 13.034 6.590 ( 3.844 -12.342 -1.668) 13.034 7.162 ( -4.944 -3.683 -1.645) 6.380 7.162 ( 4.944 -3.683 -1.645) 6.380 7.418 ( -4.187 -9.629 5.922) 12.055 7.418 ( 4.187 -9.629 5.922) 12.055 9.787 ( -13.921 -0.604 2.401) 14.139 9.787 ( 13.921 -0.604 2.401) 14.139 10.093 ( -8.461 -4.780 -1.957) 9.913 10.093 ( 8.461 -4.780 -1.957) 9.913 11.335 ( -6.860 -11.798 0.936) 13.679 11.335 ( 6.860 -11.798 0.936) 13.679 11.560 ( -1.484 -18.058 -0.270) 18.121 11.560 ( 1.484 -18.058 -0.270) 18.121 14.009 ( -9.394 7.004 -0.910) 11.753 14.009 ( 9.394 7.004 -0.910) 11.753 14.681 ( -8.302 -9.768 0.068) 12.820 14.681 ( 8.302 -9.768 0.068) 12.820 ======================= Grid point 189 (71/160) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.032 ( 0.000 9.771 1.479) 9.883 2.060 ( 0.000 11.077 -1.455) 11.172 2.243 ( 0.000 0.591 -1.568) 1.676 2.459 ( 0.000 -8.170 -5.311) 9.745 2.745 ( 0.000 14.268 2.364) 14.463 2.904 ( 0.000 3.422 1.197) 3.626 2.996 ( 0.000 -0.942 3.144) 3.282 3.198 ( 0.000 -9.534 -0.760) 9.564 4.268 ( 0.000 7.812 -2.280) 8.138 4.288 ( 0.000 3.512 -0.724) 3.585 4.322 ( 0.000 -0.952 -0.273) 0.990 4.369 ( 0.000 3.446 -0.866) 3.553 5.031 ( 0.000 0.236 -2.248) 2.261 5.099 ( 0.000 -5.619 -5.626) 7.952 5.567 ( 0.000 -4.463 6.306) 7.726 5.619 ( 0.000 -7.300 7.670) 10.589 6.309 ( 0.000 10.705 -0.097) 10.705 6.387 ( 0.000 18.155 0.261) 18.157 6.638 ( 0.000 -5.293 4.288) 6.812 6.649 ( 0.000 1.721 -2.212) 2.803 6.847 ( 0.000 3.464 -1.407) 3.739 7.256 ( 0.000 -1.301 2.162) 2.523 7.278 ( 0.000 1.463 2.073) 2.537 7.475 ( 0.000 -22.524 -1.352) 22.564 9.199 ( 0.000 -1.052 -0.856) 1.356 9.389 ( 0.000 -12.510 -0.204) 12.512 10.523 ( 0.000 -0.764 -2.082) 2.218 10.673 ( 0.000 -1.625 0.647) 1.749 10.765 ( 0.000 6.109 4.566) 7.627 11.164 ( 0.000 -0.709 2.857) 2.943 11.378 ( 0.000 -16.256 -3.072) 16.543 11.501 ( 0.000 -16.274 1.159) 16.316 13.693 ( 0.000 2.633 -6.185) 6.722 13.827 ( 0.000 -5.104 -10.336) 11.528 14.882 ( 0.000 -1.487 3.514) 3.816 14.895 ( 0.000 -2.127 4.652) 5.116 ======================= Grid point 190 (72/160) ======================= q-point: ( 0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -1.053 9.533 1.200) 9.666 2.091 ( 2.780 10.296 -1.021) 10.714 2.245 ( 0.173 -0.146 -2.244) 2.255 2.467 ( 0.358 -7.125 -3.881) 8.121 2.709 ( -3.077 12.568 1.386) 13.013 2.848 ( -4.725 5.487 1.334) 7.363 2.997 ( -0.591 -1.315 1.778) 2.290 3.133 ( -6.104 -8.242 -0.310) 10.261 4.263 ( 1.143 7.681 -1.574) 7.924 4.352 ( 4.527 4.700 -1.524) 6.701 4.375 ( 4.870 0.741 -0.261) 4.933 4.401 ( 3.189 2.625 -0.349) 4.145 5.044 ( 1.076 -0.288 -2.866) 3.075 5.117 ( 2.092 -3.681 -4.240) 5.992 5.510 ( -4.256 -2.451 6.812) 8.398 5.657 ( 2.209 -8.957 5.061) 10.523 6.255 ( -5.388 10.348 0.136) 11.667 6.312 ( -7.456 14.992 -0.225) 16.745 6.563 ( -6.394 -3.817 2.921) 7.999 6.645 ( -1.503 -1.183 -0.372) 1.948 6.871 ( 2.464 3.120 -0.379) 3.994 7.239 ( -1.521 -1.202 1.947) 2.748 7.283 ( 0.232 -0.447 1.895) 1.960 7.425 ( -4.484 -19.450 -0.813) 19.977 9.229 ( 3.166 -0.899 -0.404) 3.316 9.420 ( 3.323 -12.156 -0.370) 12.608 10.487 ( -3.918 -0.197 -1.495) 4.198 10.618 ( -5.601 1.269 -1.479) 5.931 10.785 ( 2.390 1.944 5.334) 6.160 11.179 ( 1.351 -1.260 2.681) 3.256 11.357 ( -2.423 -17.039 -1.883) 17.313 11.483 ( -1.519 -15.104 0.723) 15.197 13.727 ( 3.369 3.172 -5.414) 7.122 13.880 ( 5.229 -5.285 -9.594) 12.138 14.813 ( -6.296 -0.106 4.404) 7.684 14.877 ( -2.401 -3.453 3.264) 5.324 ======================= Grid point 191 (73/160) ======================= q-point: ( 0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.035 8.410 1.140) 8.487 2.152 ( 2.703 8.224 -0.450) 8.669 2.252 ( 0.806 -1.256 -2.881) 3.244 2.441 ( -3.418 -2.019 0.170) 3.973 2.662 ( -1.093 6.333 -2.261) 6.813 2.748 ( -4.983 9.569 0.755) 10.815 2.946 ( -5.548 -4.296 -1.482) 7.171 3.008 ( -4.444 -2.499 1.294) 5.261 4.311 ( 3.432 9.670 -1.193) 10.330 4.442 ( 3.279 5.555 1.215) 6.564 4.469 ( 5.430 7.046 -2.217) 9.168 4.500 ( 6.005 -1.397 -0.392) 6.178 5.070 ( 1.685 1.012 -2.639) 3.290 5.185 ( 4.619 -1.441 -2.777) 5.579 5.419 ( -4.578 0.196 5.467) 7.133 5.682 ( -0.167 -10.513 2.137) 10.730 6.105 ( -9.727 9.527 -0.168) 13.617 6.125 ( -10.178 10.547 0.369) 14.662 6.415 ( -7.628 -5.906 1.599) 9.779 6.571 ( -6.104 -7.779 0.168) 9.889 6.944 ( 4.722 2.473 0.865) 5.400 7.202 ( -2.145 -1.885 1.682) 3.314 7.282 ( -0.310 -3.516 2.011) 4.063 7.332 ( -4.182 -12.250 0.915) 12.976 9.332 ( 7.579 -0.152 0.588) 7.603 9.528 ( 7.788 -10.946 -0.783) 13.457 10.354 ( -9.750 1.312 -0.037) 9.838 10.463 ( -9.862 0.768 -3.174) 10.389 10.863 ( 5.519 -1.617 4.499) 7.301 11.206 ( 1.047 -2.782 2.281) 3.747 11.295 ( -3.105 -17.271 0.275) 17.550 11.438 ( -3.396 -13.020 0.148) 13.456 13.822 ( 6.256 4.658 -3.478) 8.540 14.024 ( 8.997 -5.524 -8.024) 13.260 14.648 ( -10.015 1.733 4.747) 11.218 14.800 ( -5.425 -5.579 1.649) 7.955 ======================= Grid point 192 (74/160) ======================= q-point: ( 0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 2.171 7.164 1.192) 7.580 2.161 ( -2.280 5.943 0.689) 6.402 2.287 ( 2.543 -3.209 -1.814) 4.478 2.373 ( -2.253 0.027 0.474) 2.303 2.633 ( -2.455 8.566 -2.022) 9.138 2.661 ( -4.133 8.587 -0.993) 9.581 2.856 ( -1.243 -1.958 -2.358) 3.307 2.944 ( -3.078 -1.046 -0.639) 3.313 4.385 ( 3.794 11.065 -0.326) 11.701 4.474 ( 0.124 9.594 1.743) 9.751 4.577 ( 4.782 5.184 -2.031) 7.340 4.602 ( 3.817 0.515 -0.942) 3.965 5.116 ( 3.140 4.001 -1.195) 5.224 5.258 ( -0.172 4.529 -1.280) 4.710 5.371 ( 2.446 -3.150 2.737) 4.837 5.631 ( -5.262 -7.974 0.271) 9.557 5.920 ( -7.256 7.345 -0.344) 10.330 5.946 ( -7.508 6.769 1.332) 10.196 6.302 ( -3.049 -10.368 -0.663) 10.827 6.427 ( -7.538 -13.883 -0.469) 15.805 7.038 ( 4.431 0.691 1.070) 4.610 7.159 ( -2.193 -1.694 1.422) 3.114 7.271 ( -0.953 -3.954 2.978) 5.041 7.275 ( -1.404 -9.578 3.089) 10.162 9.530 ( 12.356 1.144 1.430) 12.491 9.721 ( 11.509 -8.585 -1.449) 14.431 10.112 ( -14.287 1.995 1.127) 14.469 10.239 ( -12.696 -2.353 -2.852) 13.223 10.996 ( 7.699 -4.148 3.020) 9.252 11.211 ( -0.715 -5.476 1.806) 5.810 11.255 ( -0.898 -14.722 1.474) 14.823 11.346 ( -5.660 -11.105 0.543) 12.476 13.970 ( 8.624 6.483 -1.340) 10.872 14.203 ( 7.259 -2.296 -6.664) 10.118 14.451 ( -7.955 -0.171 4.867) 9.327 14.665 ( -8.128 -7.791 -0.004) 11.259 ======================= Grid point 193 (75/160) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -4.020 6.366 1.390) 7.657 2.088 ( 4.020 6.366 1.390) 7.657 2.338 ( -2.259 -4.467 -0.652) 5.048 2.338 ( 2.259 -4.467 -0.652) 5.048 2.605 ( -0.623 11.719 -1.538) 11.836 2.605 ( 0.623 11.719 -1.538) 11.836 2.883 ( -2.846 -1.203 -2.263) 3.830 2.883 ( 2.846 -1.203 -2.263) 3.830 4.450 ( -2.472 11.224 0.897) 11.527 4.450 ( 2.472 11.224 0.897) 11.527 4.635 ( -0.692 3.069 -1.505) 3.487 4.635 ( 0.692 3.069 -1.505) 3.487 5.192 ( -4.345 6.130 0.037) 7.514 5.192 ( 4.345 6.130 0.037) 7.514 5.494 ( -7.718 -4.567 0.048) 8.968 5.494 ( 7.718 -4.567 0.048) 8.968 5.857 ( -0.994 5.195 0.697) 5.335 5.857 ( 0.994 5.195 0.697) 5.335 6.310 ( -3.690 -14.571 -1.442) 15.100 6.310 ( 3.690 -14.571 -1.442) 15.100 7.111 ( -2.923 -0.695 1.111) 3.203 7.111 ( 2.923 -0.695 1.111) 3.203 7.262 ( -0.268 -6.827 3.848) 7.841 7.262 ( 0.268 -6.827 3.848) 7.841 9.803 ( -14.307 2.215 1.124) 14.521 9.803 ( 14.307 2.215 1.124) 14.521 9.982 ( -12.422 -5.938 -1.541) 13.854 9.982 ( 12.422 -5.938 -1.541) 13.854 11.146 ( -6.543 -6.161 1.841) 9.174 11.146 ( 6.543 -6.161 1.841) 9.174 11.261 ( -1.891 -11.558 1.474) 11.805 11.261 ( 1.891 -11.558 1.474) 11.804 14.152 ( -9.252 7.568 -0.741) 11.976 14.152 ( 9.252 7.568 -0.741) 11.976 14.491 ( -8.822 -9.262 -0.457) 12.799 14.491 ( 8.822 -9.262 -0.457) 12.799 ======================= Grid point 198 (76/160) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.188 ( 0.000 -5.697 0.020) 5.697 2.188 ( 0.000 5.697 0.020) 5.697 2.271 ( 0.000 -10.220 -3.377) 10.763 2.271 ( 0.000 10.220 -3.377) 10.763 2.958 ( 0.000 -0.387 1.237) 1.296 2.958 ( 0.000 0.387 1.237) 1.296 3.005 ( 0.000 -9.109 1.649) 9.257 3.005 ( 0.000 9.109 1.649) 9.257 4.293 ( 0.000 -0.017 -1.652) 1.652 4.293 ( 0.000 0.017 -1.652) 1.652 4.389 ( 0.000 -2.811 -2.297) 3.630 4.389 ( 0.000 2.811 -2.297) 3.630 5.045 ( 0.000 -0.828 -2.308) 2.452 5.045 ( 0.000 0.828 -2.308) 2.452 5.535 ( 0.000 -1.209 7.373) 7.471 5.535 ( 0.000 1.209 7.373) 7.471 6.499 ( 0.000 -7.987 2.151) 8.271 6.499 ( 0.000 7.987 2.151) 8.271 6.658 ( 0.000 -3.962 -2.808) 4.856 6.658 ( 0.000 3.962 -2.808) 4.856 7.002 ( 0.000 -16.178 -1.170) 16.221 7.002 ( 0.000 16.178 -1.170) 16.221 7.297 ( 0.000 -0.626 3.869) 3.920 7.297 ( 0.000 0.626 3.869) 3.920 9.221 ( 0.000 -4.160 -0.927) 4.262 9.221 ( 0.000 4.160 -0.927) 4.262 10.553 ( 0.000 -4.165 1.594) 4.460 10.553 ( 0.000 4.165 1.594) 4.460 11.052 ( 0.000 -16.247 -1.058) 16.282 11.052 ( 0.000 16.247 -1.058) 16.282 11.247 ( 0.000 -8.788 1.914) 8.993 11.247 ( 0.000 8.788 1.914) 8.993 13.748 ( 0.000 -3.109 -8.501) 9.052 13.748 ( 0.000 3.109 -8.501) 9.052 14.870 ( 0.000 -0.314 3.998) 4.010 14.870 ( 0.000 0.314 3.998) 4.010 ======================= Grid point 200 (77/160) ======================= q-point: ( 0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -1.041 -6.099 0.102) 6.188 2.177 ( -1.041 6.099 0.102) 6.188 2.288 ( 1.525 -9.769 -3.130) 10.371 2.288 ( 1.525 9.769 -3.130) 10.371 2.920 ( -3.972 -6.988 -0.209) 8.040 2.920 ( -3.972 6.988 -0.209) 8.040 2.976 ( -2.368 -6.976 2.314) 7.722 2.976 ( -2.368 6.976 2.314) 7.722 4.337 ( 4.187 -1.576 -1.424) 4.695 4.337 ( 4.187 1.576 -1.424) 4.695 4.430 ( 3.922 -2.363 -2.113) 5.043 4.430 ( 3.922 2.363 -2.113) 5.043 5.067 ( 2.117 -2.061 -2.064) 3.604 5.067 ( 2.117 2.061 -2.064) 3.604 5.526 ( -0.956 -3.871 6.407) 7.546 5.526 ( -0.956 3.871 6.407) 7.546 6.438 ( -5.927 -7.540 2.139) 9.826 6.438 ( -5.927 7.540 2.139) 9.826 6.574 ( -8.237 -8.348 -2.004) 11.898 6.574 ( -8.237 8.348 -2.004) 11.898 7.015 ( 1.399 -13.232 -1.289) 13.368 7.015 ( 1.399 13.232 -1.289) 13.368 7.285 ( -1.247 -1.394 3.734) 4.177 7.285 ( -1.247 1.394 3.734) 4.177 9.254 ( 3.558 -4.265 -0.698) 5.598 9.254 ( 3.558 4.265 -0.698) 5.598 10.526 ( -3.124 -4.366 0.519) 5.394 10.526 ( -3.124 4.366 0.519) 5.394 11.024 ( -2.361 -15.691 0.050) 15.867 11.024 ( -2.361 15.691 0.050) 15.867 11.250 ( 0.183 -7.957 1.811) 8.162 11.250 ( 0.183 7.957 1.811) 8.162 13.792 ( 4.478 -3.636 -7.633) 9.567 13.792 ( 4.478 3.636 -7.633) 9.567 14.827 ( -4.330 -1.585 3.668) 5.892 14.827 ( -4.330 1.585 3.668) 5.892 ======================= Grid point 202 (78/160) ======================= q-point: ( 0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -0.603 -6.580 0.239) 6.612 2.157 ( -0.603 6.580 0.239) 6.612 2.314 ( 0.526 -7.832 -2.133) 8.134 2.314 ( 0.526 7.832 -2.133) 8.134 2.825 ( -4.598 -7.554 -1.255) 8.932 2.825 ( -4.598 7.554 -1.255) 8.932 2.924 ( -2.897 -6.725 1.268) 7.431 2.924 ( -2.897 6.725 1.268) 7.431 4.441 ( 5.927 -3.586 -0.967) 6.994 4.441 ( 5.927 3.586 -0.967) 6.994 4.526 ( 5.204 -1.742 -1.381) 5.659 4.526 ( 5.204 1.742 -1.381) 5.659 5.127 ( 3.969 -3.889 -1.498) 5.755 5.127 ( 3.969 3.889 -1.498) 5.755 5.496 ( -2.157 -7.076 4.068) 8.442 5.496 ( -2.157 7.076 4.068) 8.442 6.283 ( -9.213 -7.566 1.349) 11.998 6.283 ( -9.213 7.566 1.349) 11.998 6.364 ( -12.037 -12.308 -0.795) 17.233 6.364 ( -12.037 12.308 -0.795) 17.233 7.054 ( 2.332 -8.697 -0.659) 9.028 7.054 ( 2.332 8.697 -0.659) 9.028 7.248 ( -2.408 -2.223 3.572) 4.847 7.248 ( -2.408 2.223 3.572) 4.847 9.371 ( 8.472 -4.584 -0.226) 9.635 9.371 ( 8.472 4.584 -0.226) 9.635 10.409 ( -9.153 -4.005 -1.301) 10.075 10.409 ( -9.153 4.005 -1.301) 10.075 10.992 ( -0.097 -12.334 2.162) 12.522 10.992 ( -0.097 12.334 2.162) 12.522 11.243 ( -1.247 -6.245 1.670) 6.584 11.243 ( -1.247 6.245 1.670) 6.584 13.918 ( 8.085 -5.024 -5.506) 10.997 13.918 ( 8.085 5.024 -5.506) 10.997 14.704 ( -7.911 -3.898 2.719) 9.229 14.704 ( -7.911 3.898 2.719) 9.229 ======================= Grid point 204 (79/160) ======================= q-point: ( 0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 1.480 -6.526 0.329) 6.700 2.164 ( 1.480 6.526 0.329) 6.700 2.290 ( -3.031 -5.981 -0.557) 6.728 2.290 ( -3.031 5.981 -0.557) 6.728 2.774 ( -0.265 -6.066 -2.024) 6.400 2.774 ( -0.265 6.066 -2.024) 6.400 2.863 ( -3.209 -7.208 -0.415) 7.901 2.863 ( -3.209 7.208 -0.415) 7.901 4.552 ( 4.978 -5.076 -0.425) 7.122 4.552 ( 4.978 5.076 -0.425) 7.122 4.610 ( 2.787 -3.069 -0.395) 4.165 4.610 ( 2.787 3.069 -0.395) 4.165 5.223 ( 5.733 -6.086 -0.790) 8.398 5.223 ( 5.733 6.086 -0.790) 8.398 5.438 ( -3.839 -8.844 1.703) 9.790 5.438 ( -3.839 8.844 1.703) 9.790 6.110 ( -7.214 -9.527 -0.284) 11.954 6.110 ( -7.214 9.527 -0.284) 11.954 6.146 ( -9.042 -13.105 -0.238) 15.924 6.146 ( -9.042 13.105 -0.238) 15.924 7.101 ( 2.354 -5.344 0.821) 5.897 7.101 ( 2.354 5.344 0.821) 5.897 7.196 ( -2.663 -2.646 3.301) 4.999 7.196 ( -2.663 2.646 3.301) 4.999 9.586 ( 13.143 -4.731 -0.018) 13.969 9.586 ( 13.143 4.731 -0.018) 13.969 10.172 ( -14.318 -3.728 -1.340) 14.856 10.172 ( -14.318 3.728 -1.340) 14.856 11.028 ( 3.506 -7.056 2.749) 8.345 11.028 ( 3.506 7.056 2.749) 8.345 11.196 ( -3.490 -3.642 1.825) 5.364 11.196 ( -3.490 3.642 1.825) 5.364 14.101 ( 10.294 -6.524 -3.004) 12.552 14.101 ( 10.294 6.524 -3.004) 12.552 14.524 ( -10.204 -6.095 1.240) 11.950 14.524 ( -10.204 6.095 1.240) 11.950 ======================= Grid point 206 (80/160) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.217 ( -3.579 -6.510 0.230) 7.432 2.217 ( 3.395 -6.485 0.230) 7.324 2.217 ( -3.395 6.485 0.230) 7.324 2.217 ( 3.579 6.510 0.230) 7.432 2.803 ( -2.606 -7.033 -1.702) 7.691 2.803 ( 2.556 -7.029 -1.702) 7.670 2.803 ( -2.556 7.029 -1.702) 7.670 2.803 ( 2.606 7.033 -1.702) 7.691 4.621 ( -1.671 -4.950 -0.043) 5.225 4.621 ( 1.661 -4.949 -0.043) 5.221 4.621 ( -1.661 4.949 -0.043) 5.221 4.621 ( 1.671 4.950 -0.043) 5.225 5.342 ( -5.752 -8.526 0.192) 10.287 5.342 ( 5.348 -8.460 0.192) 10.010 5.342 ( -5.348 8.460 0.192) 10.010 5.342 ( 5.752 8.526 0.192) 10.287 6.042 ( -0.925 -11.944 -0.716) 12.001 6.042 ( 0.924 -11.944 -0.716) 12.001 6.042 ( -0.924 11.944 -0.716) 12.001 6.042 ( 0.925 11.944 -0.716) 12.001 7.147 ( -2.092 -4.179 2.374) 5.242 7.147 ( 1.571 -4.122 2.374) 5.009 7.147 ( -1.571 4.122 2.374) 5.009 7.147 ( 2.092 4.179 2.374) 5.242 9.873 ( -15.289 -4.529 -0.474) 15.953 9.873 ( -13.541 2.814 -0.474) 13.838 9.873 ( 13.541 -2.814 -0.474) 13.838 9.873 ( 15.289 4.530 -0.474) 15.953 11.113 ( -4.644 -3.007 2.307) 5.994 11.113 ( 4.601 -2.991 2.307) 5.953 11.113 ( -4.601 2.991 2.307) 5.953 11.113 ( 4.644 3.007 2.307) 5.994 14.313 ( -10.270 -8.336 -0.691) 13.245 14.313 ( 3.422 -6.786 -0.691) 7.631 14.313 ( -3.422 6.786 -0.691) 7.631 14.313 ( 10.270 8.336 -0.691) 13.245 ======================= Grid point 270 (81/160) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 0.000 12.127) 12.127 0.592 ( 0.000 0.000 15.510) 15.510 0.970 ( 0.000 0.000 -3.662) 3.662 1.260 ( 0.000 0.000 28.042) 28.042 1.403 ( 0.000 0.000 -10.454) 10.454 2.146 ( 0.000 0.000 1.457) 1.457 2.243 ( 0.000 0.000 -1.425) 1.425 2.433 ( 0.000 0.000 -11.778) 11.778 2.551 ( 0.000 0.000 20.383) 20.383 3.736 ( 0.000 0.000 -16.274) 16.274 4.360 ( 0.000 0.000 5.689) 5.689 4.710 ( 0.000 0.000 -5.521) 5.521 4.817 ( 0.000 0.000 7.464) 7.464 5.069 ( 0.000 0.000 1.820) 1.820 5.251 ( 0.000 0.000 -5.334) 5.334 5.328 ( 0.000 0.000 -4.093) 4.093 6.147 ( 0.000 0.000 16.701) 16.701 6.871 ( 0.000 0.000 1.980) 1.980 7.021 ( 0.000 0.000 -11.558) 11.558 7.044 ( 0.000 0.000 -3.060) 3.060 7.178 ( 0.000 0.000 0.268) 0.268 7.246 ( 0.000 0.000 -2.478) 2.478 8.779 ( 0.000 0.000 6.153) 6.153 9.080 ( 0.000 0.000 -3.882) 3.882 10.073 ( 0.000 0.000 -0.476) 0.476 10.090 ( 0.000 0.000 -1.253) 1.253 10.545 ( 0.000 0.000 -1.009) 1.009 10.576 ( 0.000 0.000 -1.422) 1.422 12.000 ( 0.000 0.000 6.062) 6.062 12.287 ( 0.000 0.000 6.496) 6.496 12.351 ( 0.000 0.000 -4.618) 4.618 12.645 ( 0.000 0.000 -4.511) 4.511 13.233 ( 0.000 0.000 0.061) 0.061 13.271 ( 0.000 0.000 -1.074) 1.074 15.225 ( 0.000 0.000 8.505) 8.505 15.763 ( 0.000 0.000 -7.930) 7.930 ======================= Grid point 271 (82/160) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 8.934 0.000 9.269) 12.874 0.774 ( 14.328 0.000 12.289) 18.876 0.998 ( 2.608 0.000 -3.156) 4.094 1.306 ( 3.713 0.000 23.604) 23.894 1.387 ( 3.279 0.000 -5.356) 6.280 2.144 ( -0.191 0.000 1.341) 1.354 2.235 ( -0.773 0.000 -1.368) 1.571 2.403 ( -4.395 0.000 -2.527) 5.070 2.576 ( 2.088 0.000 7.834) 8.107 3.695 ( -4.998 0.000 -15.697) 16.473 4.347 ( -1.183 0.000 4.732) 4.878 4.627 ( -6.765 0.000 -3.256) 7.507 4.890 ( 7.443 0.000 7.063) 10.261 5.216 ( 11.161 0.000 -0.407) 11.168 5.303 ( 5.199 0.000 -5.082) 7.270 5.437 ( 11.230 0.000 -7.241) 13.362 6.187 ( 3.865 0.000 16.920) 17.355 6.800 ( -7.098 0.000 1.719) 7.303 6.949 ( -9.459 0.000 -2.567) 9.801 6.952 ( -4.453 0.000 -5.479) 7.061 7.226 ( -0.339 0.000 -1.241) 1.287 7.325 ( 10.057 0.000 -6.463) 11.954 8.742 ( -4.171 0.000 5.840) 7.177 8.996 ( -6.773 0.000 -4.441) 8.100 10.098 ( 2.449 0.000 -0.410) 2.483 10.118 ( 2.602 0.000 -1.210) 2.869 10.500 ( -3.514 0.000 1.252) 3.731 10.560 ( -2.056 0.000 -0.632) 2.151 12.007 ( 0.722 0.000 5.561) 5.608 12.220 ( -6.306 0.000 5.605) 8.437 12.332 ( -1.919 0.000 -4.301) 4.709 12.426 ( -13.743 0.000 2.326) 13.938 13.254 ( 0.266 0.000 -1.286) 1.314 13.282 ( 0.359 0.000 -0.838) 0.912 15.321 ( 7.327 0.000 6.703) 9.931 15.856 ( 6.535 0.000 -11.716) 13.415 ======================= Grid point 272 (83/160) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 9.921 0.000 5.338) 11.266 1.031 ( 11.159 0.000 12.226) 16.553 1.059 ( 3.188 0.000 -1.945) 3.734 1.426 ( 7.956 0.000 3.242) 8.592 1.568 ( 12.841 0.000 8.629) 15.471 2.140 ( -0.092 0.000 0.987) 0.991 2.214 ( -1.347 0.000 -1.175) 1.787 2.300 ( -4.716 0.000 8.418) 9.650 2.597 ( 0.499 0.000 -2.323) 2.375 3.527 ( -11.771 0.000 -13.034) 17.562 4.318 ( -1.564 0.000 3.437) 3.776 4.488 ( -6.765 0.000 0.151) 6.766 5.104 ( 14.002 0.000 5.868) 15.182 5.427 ( 10.363 0.000 -0.874) 10.399 5.452 ( 9.708 0.000 -4.373) 10.648 5.693 ( 11.250 0.000 -11.366) 15.992 6.304 ( 8.466 0.000 16.309) 18.375 6.604 ( -12.520 0.000 1.019) 12.562 6.689 ( -16.272 0.000 -1.220) 16.317 6.870 ( -3.973 0.000 -2.093) 4.491 7.225 ( 1.079 0.000 0.173) 1.093 7.523 ( 8.400 0.000 -4.737) 9.644 8.622 ( -6.646 0.000 -0.608) 6.674 8.873 ( -5.770 0.000 -7.827) 9.723 10.160 ( 3.469 0.000 -0.289) 3.481 10.180 ( 3.361 0.000 -1.037) 3.517 10.434 ( -2.855 0.000 3.136) 4.241 10.500 ( -3.670 0.000 1.903) 4.134 12.030 ( 1.589 0.000 4.170) 4.463 12.098 ( -4.563 0.000 3.676) 5.859 12.235 ( -6.547 0.000 2.279) 6.932 12.279 ( -3.333 0.000 -3.368) 4.738 13.248 ( -0.765 0.000 -1.105) 1.344 13.269 ( -1.104 0.000 -0.541) 1.230 15.465 ( 7.120 0.000 4.732) 8.549 15.926 ( -0.039 0.000 -11.581) 11.581 ======================= Grid point 273 (84/160) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 6.815 0.000 2.746) 7.347 1.106 ( 1.224 0.000 -0.506) 1.324 1.237 ( 10.110 0.000 10.403) 14.506 1.516 ( -0.546 0.000 1.853) 1.932 1.834 ( 13.456 0.000 9.936) 16.726 2.143 ( 0.424 0.000 0.419) 0.596 2.185 ( -1.503 0.000 -0.803) 1.704 2.225 ( -4.532 0.000 16.669) 17.274 2.664 ( 8.354 0.000 -9.353) 12.541 3.249 ( -15.945 0.000 -11.030) 19.388 4.296 ( -0.451 0.000 3.184) 3.216 4.374 ( -4.628 0.000 2.447) 5.235 5.426 ( 18.253 0.000 3.895) 18.664 5.621 ( 8.992 0.000 -0.968) 9.044 5.671 ( 11.778 0.000 -3.348) 12.245 5.811 ( 1.094 0.000 -7.012) 7.097 6.312 ( -17.315 0.000 0.716) 17.330 6.352 ( -16.029 0.000 0.144) 16.029 6.503 ( 10.288 0.000 8.896) 13.601 6.787 ( -4.758 0.000 -0.203) 4.762 7.299 ( 6.874 0.000 3.781) 7.845 7.599 ( -1.615 0.000 3.713) 4.049 8.546 ( -0.031 0.000 -12.728) 12.728 8.751 ( -6.800 0.000 -12.768) 14.466 10.222 ( 2.610 0.000 -0.262) 2.623 10.236 ( 2.040 0.000 -0.729) 2.166 10.394 ( -1.125 0.000 4.099) 4.250 10.432 ( -2.925 0.000 4.062) 5.005 12.053 ( -0.281 0.000 1.782) 1.804 12.071 ( 2.613 0.000 2.199) 3.415 12.137 ( -3.910 0.000 1.112) 4.066 12.206 ( -3.885 0.000 -1.875) 4.314 13.233 ( -0.408 0.000 -0.658) 0.774 13.250 ( -0.853 0.000 -0.657) 1.077 15.603 ( 7.007 0.000 0.821) 7.055 15.867 ( -5.300 0.000 -8.157) 9.728 ======================= Grid point 274 (85/160) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.095 ( -2.547 0.000 0.990) 2.733 1.095 ( 2.547 0.000 0.990) 2.733 1.420 ( -7.993 0.000 6.207) 10.121 1.420 ( 7.993 0.000 6.207) 10.121 2.075 ( -10.483 0.000 13.928) 17.432 2.075 ( 10.483 0.000 13.928) 17.432 2.158 ( -1.119 0.000 -0.239) 1.144 2.158 ( 1.119 0.000 -0.239) 1.144 2.923 ( -16.309 0.000 -10.305) 19.291 2.923 ( 16.309 0.000 -10.305) 19.291 4.309 ( -1.945 0.000 3.260) 3.796 4.309 ( 1.945 0.000 3.260) 3.796 5.762 ( -10.851 0.000 0.131) 10.852 5.762 ( 10.851 0.000 0.131) 10.852 5.765 ( -5.230 0.000 -2.570) 5.827 5.765 ( 5.230 0.000 -2.570) 5.827 6.102 ( -5.201 0.000 0.590) 5.234 6.102 ( 5.201 0.000 0.590) 5.234 6.673 ( -7.005 0.000 2.397) 7.404 6.673 ( 7.005 0.000 2.397) 7.404 7.474 ( -9.475 0.000 6.938) 11.744 7.474 ( 9.475 0.000 6.938) 11.744 8.616 ( -6.181 0.000 -16.583) 17.698 8.616 ( 6.181 0.000 -16.583) 17.698 10.253 ( -0.395 0.000 -0.421) 0.577 10.253 ( 0.395 0.000 -0.421) 0.577 10.392 ( -0.981 0.000 4.690) 4.792 10.392 ( 0.981 0.000 4.690) 4.792 12.075 ( -2.294 0.000 0.972) 2.491 12.075 ( 2.294 0.000 0.972) 2.491 12.132 ( -3.535 0.000 0.059) 3.536 12.132 ( 3.535 0.000 0.059) 3.536 13.235 ( -0.543 0.000 -0.583) 0.797 13.235 ( 0.543 0.000 -0.583) 0.797 15.742 ( -6.991 0.000 -3.918) 8.014 15.742 ( 6.991 0.000 -3.918) 8.014 ======================= Grid point 279 (86/160) ======================= q-point: ( 0.00 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.000 4.658 12.361) 13.209 0.764 ( 0.000 14.694 10.582) 18.107 1.204 ( 0.000 20.564 -3.458) 20.852 1.296 ( 0.000 -1.301 -7.364) 7.478 1.366 ( 0.000 11.332 24.670) 27.148 2.309 ( 0.000 12.871 2.457) 13.103 2.427 ( 0.000 12.289 -3.602) 12.806 2.477 ( 0.000 8.640 -9.505) 12.845 2.612 ( 0.000 7.570 18.110) 19.629 3.703 ( 0.000 -2.940 -15.427) 15.705 4.331 ( 0.000 -2.181 4.986) 5.442 4.656 ( 0.000 -5.021 -5.216) 7.240 5.069 ( 0.000 4.213 -1.970) 4.651 5.239 ( 0.000 23.919 -3.660) 24.198 5.268 ( 0.000 1.953 -5.432) 5.772 5.442 ( 0.000 9.713 -2.924) 10.143 6.261 ( 0.000 10.867 12.122) 16.280 6.774 ( 0.000 -8.671 0.203) 8.674 6.921 ( 0.000 -11.711 -2.054) 11.890 7.048 ( 0.000 1.597 -9.464) 9.597 7.159 ( 0.000 -1.967 0.113) 1.971 7.202 ( 0.000 -4.270 -2.169) 4.789 8.660 ( 0.000 -10.171 3.762) 10.844 8.680 ( 0.000 -30.205 7.072) 31.021 10.069 ( 0.000 -3.100 -0.485) 3.138 10.131 ( 0.000 3.280 -2.383) 4.054 10.466 ( 0.000 -6.928 0.184) 6.930 10.561 ( 0.000 -1.347 -3.034) 3.320 11.935 ( 0.000 -4.626 3.377) 5.728 12.188 ( 0.000 -5.734 -6.446) 8.627 12.352 ( 0.000 2.554 9.508) 9.845 13.007 ( 0.000 6.610 -11.866) 13.582 13.236 ( 0.000 1.090 0.654) 1.271 13.406 ( 0.000 20.476 -9.755) 22.680 15.217 ( 0.000 -0.848 8.274) 8.317 15.680 ( 0.000 -7.591 -3.929) 8.547 ======================= Grid point 280 (87/160) ======================= q-point: ( 0.12 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 13.192 2.314 9.599) 16.478 0.837 ( 6.982 13.024 9.452) 17.541 1.215 ( 1.454 16.785 -2.792) 17.078 1.328 ( 2.882 6.028 -0.397) 6.693 1.426 ( 6.636 8.787 15.699) 19.176 2.301 ( -0.997 11.098 2.278) 11.373 2.429 ( -1.013 10.616 -3.108) 11.108 2.464 ( -0.596 13.516 -6.009) 14.803 2.607 ( -0.160 5.602 13.429) 14.551 3.652 ( -5.242 -3.305 -14.473) 15.744 4.328 ( -0.369 -1.697 4.410) 4.740 4.584 ( -5.841 -3.269 -2.729) 7.229 5.079 ( -0.840 9.405 -1.934) 9.638 5.181 ( 3.926 -0.232 -1.418) 4.180 5.459 ( 6.292 11.792 -2.568) 13.610 5.534 ( 13.276 9.072 -7.848) 17.892 6.267 ( 0.760 6.766 13.337) 14.975 6.724 ( -4.977 -5.578 0.599) 7.499 6.815 ( -9.855 -11.901 -1.590) 15.533 6.983 ( -4.353 1.859 -4.391) 6.457 7.208 ( 1.538 -2.668 -1.162) 3.291 7.300 ( 9.454 -2.626 -5.695) 11.344 8.555 ( -6.085 -18.698 6.502) 20.710 8.741 ( 1.871 -17.397 0.132) 17.498 10.086 ( 1.636 -3.832 -0.589) 4.208 10.125 ( -0.459 1.746 -2.086) 2.758 10.451 ( -1.622 -5.163 0.583) 5.443 10.525 ( -3.230 -2.793 -2.032) 4.728 11.893 ( -3.160 -5.746 5.881) 8.808 12.214 ( 2.125 -2.654 -6.885) 7.679 12.287 ( -5.879 2.940 8.764) 10.955 12.849 ( -11.873 15.754 -8.560) 21.504 13.243 ( 0.140 0.114 -0.278) 0.331 13.368 ( -3.019 12.602 -4.962) 13.876 15.284 ( 5.505 -3.489 7.359) 9.830 15.759 ( 5.574 -8.918 -7.559) 12.952 ======================= Grid point 281 (88/160) ======================= q-point: ( 0.25 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 9.731 4.479 9.130) 14.075 1.036 ( 11.332 9.186 5.472) 15.580 1.271 ( 3.924 16.136 -0.987) 16.635 1.405 ( 4.209 4.521 0.520) 6.199 1.608 ( 10.860 5.172 10.525) 15.984 2.256 ( -3.697 4.813 4.808) 7.742 2.395 ( -1.232 17.480 1.894) 17.626 2.479 ( 2.630 16.942 -3.705) 17.541 2.602 ( -0.618 3.420 3.743) 5.108 3.494 ( -10.701 -2.583 -12.479) 16.641 4.315 ( -0.881 -0.445 3.300) 3.445 4.466 ( -5.738 -1.831 0.059) 6.023 5.123 ( 6.467 2.039 2.541) 7.241 5.318 ( 8.596 -4.978 -2.986) 10.373 5.599 ( 8.796 7.492 -1.037) 11.601 5.803 ( 10.900 8.020 -10.745) 17.279 6.296 ( 1.719 -3.114 12.311) 12.814 6.564 ( -14.762 -10.089 -1.207) 17.921 6.594 ( -7.253 1.443 3.414) 8.145 6.897 ( -4.335 1.986 -1.754) 5.081 7.236 ( 1.757 -0.189 -0.070) 1.769 7.477 ( 7.001 -4.693 -2.593) 8.818 8.454 ( -3.540 -14.439 -0.409) 14.872 8.738 ( -2.266 -12.343 -6.154) 13.976 10.121 ( 0.217 -2.467 -1.339) 2.815 10.126 ( 2.173 -5.242 -0.956) 5.755 10.402 ( -2.953 -2.937 1.449) 4.410 10.458 ( -3.208 -4.774 0.112) 5.753 11.850 ( -0.716 -6.034 8.563) 10.500 12.154 ( -6.610 0.877 7.415) 9.972 12.263 ( 2.531 3.747 -7.106) 8.422 12.644 ( -8.489 18.674 -6.445) 21.501 13.238 ( -0.495 0.154 -0.597) 0.790 13.309 ( -2.687 6.193 -1.982) 7.035 15.401 ( 6.124 -6.148 5.441) 10.243 15.820 ( 0.006 -9.924 -8.767) 13.241 ======================= Grid point 282 (89/160) ======================= q-point: ( 0.38 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 9.235 3.926 6.233) 11.814 1.219 ( 7.338 12.904 3.398) 15.229 1.336 ( 1.927 17.580 0.729) 17.701 1.447 ( -0.889 -2.284 0.761) 2.566 1.818 ( 10.145 1.109 11.020) 15.020 2.158 ( -6.379 1.839 11.538) 13.312 2.404 ( 2.167 20.463 0.908) 20.598 2.525 ( -1.467 21.592 3.530) 21.928 2.653 ( 9.801 -0.003 -8.563) 13.015 3.239 ( -14.912 -0.598 -10.649) 18.334 4.300 ( -0.345 0.380 2.767) 2.814 4.368 ( -4.023 -0.540 1.869) 4.469 5.321 ( 12.420 -6.335 2.862) 14.233 5.489 ( 7.668 -7.155 -2.494) 10.780 5.795 ( 10.753 4.116 -0.785) 11.541 5.920 ( 1.985 4.180 -5.496) 7.185 6.213 ( -12.313 -7.431 0.676) 14.397 6.276 ( -12.812 -4.759 -0.887) 13.696 6.564 ( 5.284 5.471 8.316) 11.270 6.807 ( -4.995 1.688 0.176) 5.275 7.302 ( 5.358 -0.236 3.491) 6.399 7.534 ( -1.565 -6.120 4.997) 8.055 8.440 ( 2.341 -9.478 -11.221) 14.874 8.656 ( -5.769 -9.289 -11.797) 16.085 10.135 ( 1.106 -6.207 -0.632) 6.336 10.160 ( 0.937 -6.580 -1.327) 6.778 10.357 ( -1.219 -3.635 2.711) 4.696 10.401 ( -2.578 -4.218 1.562) 5.184 11.869 ( 2.469 -5.293 8.550) 10.354 12.036 ( -5.456 -1.280 7.002) 8.968 12.319 ( 3.330 8.597 -6.783) 11.446 12.504 ( -6.098 16.600 -6.315) 18.779 13.231 ( -0.010 0.854 -0.629) 1.060 13.266 ( -1.681 3.251 -1.182) 3.846 15.524 ( 6.376 -7.646 1.573) 10.080 15.767 ( -4.848 -9.527 -6.536) 12.530 ======================= Grid point 283 (90/160) ======================= q-point: (-0.50 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -1.637 18.383 1.193) 18.494 1.312 ( 1.637 18.383 1.193) 18.494 1.372 ( -5.327 -2.233 3.884) 6.960 1.372 ( 5.327 -2.233 3.884) 6.960 2.006 ( -8.848 -0.238 12.849) 15.603 2.006 ( 8.848 -0.238 12.849) 15.603 2.465 ( -3.588 20.502 1.295) 20.853 2.465 ( 3.588 20.502 1.295) 20.853 2.927 ( -16.083 1.306 -9.369) 18.659 2.927 ( 16.083 1.306 -9.369) 18.659 4.312 ( -1.692 0.259 2.592) 3.106 4.312 ( 1.692 0.259 2.592) 3.106 5.530 ( -5.737 -9.662 0.113) 11.238 5.530 ( 5.737 -9.662 0.113) 11.238 5.963 ( -4.270 -7.949 0.382) 9.031 5.963 ( 4.270 -7.949 0.382) 9.031 6.046 ( -8.268 8.524 -2.479) 12.130 6.046 ( 8.268 8.524 -2.479) 12.130 6.695 ( -6.520 1.981 3.006) 7.448 6.695 ( 6.520 1.981 3.006) 7.448 7.436 ( -7.248 -3.592 6.913) 10.641 7.436 ( 7.248 -3.592 6.913) 10.641 8.531 ( -6.232 -8.098 -14.826) 18.006 8.531 ( 6.232 -8.098 -14.826) 18.006 10.158 ( -0.944 -7.281 -0.798) 7.386 10.158 ( 0.944 -7.281 -0.798) 7.386 10.360 ( -1.375 -4.016 2.563) 4.959 10.360 ( 1.375 -4.016 2.563) 4.959 11.938 ( -4.388 -3.626 7.563) 9.466 11.938 ( 4.388 -3.626 7.563) 9.466 12.398 ( -4.698 13.043 -6.422) 15.279 12.398 ( 4.698 13.043 -6.422) 15.279 13.241 ( -0.940 1.767 -0.810) 2.159 13.241 ( 0.940 1.767 -0.810) 2.159 15.651 ( -6.464 -8.674 -2.888) 11.197 15.651 ( 6.464 -8.674 -2.888) 11.197 ======================= Grid point 288 (91/160) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.830 ( 0.000 16.122 6.550) 17.402 0.979 ( 0.000 9.658 11.136) 14.741 1.457 ( 0.000 13.128 -5.656) 14.295 1.676 ( 0.000 24.653 -4.231) 25.013 1.717 ( 0.000 21.840 15.862) 26.992 2.521 ( 0.000 8.532 8.990) 12.394 2.530 ( 0.000 4.674 -8.470) 9.674 2.884 ( 0.000 23.291 -4.766) 23.773 2.922 ( 0.000 22.266 8.747) 23.922 3.643 ( 0.000 -2.282 -11.951) 12.167 4.271 ( 0.000 -3.800 3.928) 5.465 4.520 ( 0.000 -8.535 -4.119) 9.477 5.146 ( 0.000 4.551 -1.766) 4.881 5.325 ( 0.000 3.453 -6.220) 7.114 5.593 ( 0.000 10.945 -4.157) 11.708 5.645 ( 0.000 9.146 -0.930) 9.193 6.509 ( 0.000 11.529 7.788) 13.912 6.549 ( 0.000 -13.490 -0.655) 13.505 6.624 ( 0.000 -16.136 -1.666) 16.222 7.026 ( 0.000 -6.144 -0.306) 6.151 7.097 ( 0.000 -4.309 0.044) 4.309 7.126 ( 0.000 -0.457 -7.627) 7.641 8.103 ( 0.000 -26.251 11.342) 28.596 8.453 ( 0.000 -9.420 -1.885) 9.607 9.942 ( 0.000 -9.465 1.495) 9.582 10.164 ( 0.000 -0.305 -2.826) 2.843 10.325 ( 0.000 -6.152 2.135) 6.512 10.530 ( 0.000 -1.631 -6.405) 6.609 11.830 ( 0.000 -6.487 2.511) 6.956 12.102 ( 0.000 -4.182 -8.812) 9.754 12.289 ( 0.000 -9.307 10.556) 14.073 12.905 ( 0.000 -11.301 -6.630) 13.103 13.304 ( 0.000 5.549 2.288) 6.002 13.795 ( 0.000 12.655 -20.321) 23.939 15.190 ( 0.000 -1.940 7.516) 7.762 15.497 ( 0.000 -9.970 1.841) 10.139 ======================= Grid point 289 (92/160) ======================= q-point: ( 0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 8.407 12.804 5.552) 16.293 1.026 ( 4.898 8.451 9.901) 13.908 1.477 ( 2.340 13.047 -3.971) 13.837 1.709 ( 2.970 23.142 -4.102) 23.690 1.739 ( 2.143 20.748 14.175) 25.219 2.447 ( -4.702 6.136 0.264) 7.735 2.571 ( 1.368 5.560 1.504) 5.920 2.861 ( -2.179 21.941 0.845) 22.065 2.944 ( 2.223 24.390 2.550) 24.624 3.592 ( -4.939 -1.932 -11.603) 12.758 4.280 ( 0.729 -3.096 3.542) 4.760 4.489 ( -2.983 -6.566 -3.044) 7.828 5.161 ( 1.802 2.310 -2.141) 3.629 5.254 ( -4.818 5.196 -4.640) 8.470 5.640 ( 0.997 6.000 -0.414) 6.097 5.728 ( 9.788 7.340 -5.400) 13.373 6.320 ( -9.796 -4.632 6.365) 12.567 6.538 ( -7.576 -14.331 0.061) 16.211 6.682 ( 3.833 3.086 2.099) 5.350 7.002 ( -3.070 -0.246 -2.374) 3.888 7.103 ( 3.225 -7.278 0.602) 7.983 7.227 ( 7.015 -4.072 -5.106) 9.585 8.106 ( 0.538 -23.136 8.430) 24.630 8.456 ( 0.175 -11.553 -2.813) 11.891 9.947 ( 0.585 -9.800 1.369) 9.913 10.144 ( -1.930 -0.374 -3.086) 3.659 10.323 ( -0.210 -6.196 1.699) 6.428 10.480 ( -4.712 -1.581 -5.195) 7.189 11.804 ( -1.825 -4.660 4.407) 6.668 12.144 ( 2.794 -4.998 -7.330) 9.301 12.246 ( -3.205 -7.941 8.414) 12.005 12.855 ( -4.536 -9.504 -7.010) 12.651 13.306 ( 0.202 6.003 1.830) 6.279 13.713 ( -7.088 15.079 -16.095) 23.166 15.195 ( 1.063 -5.081 8.441) 9.910 15.544 ( 3.196 -11.636 -1.309) 12.137 ======================= Grid point 290 (93/160) ======================= q-point: ( 0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 7.649 8.181 6.202) 12.802 1.183 ( 10.400 5.441 4.308) 12.503 1.553 ( 5.094 13.602 -0.619) 14.538 1.761 ( 1.864 22.678 -1.571) 22.809 1.805 ( 4.236 14.443 10.432) 18.313 2.354 ( -4.622 6.400 3.431) 8.608 2.574 ( -0.653 1.578 1.013) 1.985 2.822 ( -1.237 21.266 0.755) 21.316 2.999 ( 2.996 26.185 0.499) 26.360 3.459 ( -8.325 0.284 -10.507) 13.408 4.295 ( 0.666 -1.650 2.764) 3.288 4.417 ( -3.825 -3.322 -1.065) 5.177 5.180 ( -0.605 3.426 -1.407) 3.753 5.239 ( 5.083 -2.775 -2.467) 6.295 5.685 ( 3.002 -0.282 0.689) 3.093 5.894 ( 4.424 -0.819 -7.555) 8.793 6.154 ( -6.224 -8.348 7.142) 12.626 6.370 ( -8.182 -7.174 -0.937) 10.922 6.701 ( -0.799 6.228 4.579) 7.772 6.930 ( -4.087 1.172 -1.243) 4.430 7.184 ( 4.483 -4.444 1.591) 6.510 7.349 ( 4.363 -7.366 0.014) 8.561 8.136 ( 2.800 -16.675 0.503) 16.915 8.451 ( -1.023 -14.660 -5.442) 15.671 9.965 ( 1.172 -10.136 0.907) 10.244 10.097 ( -2.569 -0.750 -3.452) 4.368 10.311 ( -1.127 -5.911 0.898) 6.084 10.370 ( -5.646 -2.369 -2.180) 6.499 11.784 ( 0.165 -2.654 7.344) 7.810 12.107 ( -5.299 -5.552 6.942) 10.349 12.269 ( 4.612 -5.044 -6.844) 9.672 12.748 ( -6.048 -6.780 -7.820) 11.988 13.311 ( 0.388 7.263 0.926) 7.332 13.566 ( -7.022 16.181 -9.523) 20.046 15.239 ( 3.305 -9.482 7.060) 12.275 15.574 ( -0.627 -13.677 -3.774) 14.202 ======================= Grid point 291 (94/160) ======================= q-point: ( 0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 7.354 5.348 4.282) 10.051 1.357 ( 5.430 2.329 0.641) 5.943 1.651 ( 4.334 17.377 2.556) 18.091 1.785 ( -0.033 22.819 -0.411) 22.823 1.895 ( 5.963 6.608 11.602) 14.623 2.241 ( -7.711 6.922 9.775) 14.245 2.604 ( 4.912 -2.034 -4.752) 7.131 2.803 ( -1.518 14.857 -1.306) 14.991 3.054 ( 2.755 27.301 -0.068) 27.439 3.281 ( -9.176 7.935 -7.708) 14.373 4.304 ( 0.363 -0.265 1.834) 1.888 4.352 ( -2.622 -1.196 0.296) 2.897 5.231 ( 5.779 -2.708 1.437) 6.541 5.362 ( 6.011 -5.663 -2.092) 8.519 5.699 ( -2.655 -13.092 1.216) 13.414 5.839 ( -7.173 -9.955 -2.752) 12.575 6.121 ( 1.757 -1.905 1.354) 2.924 6.261 ( -3.148 1.815 -2.259) 4.279 6.694 ( 1.026 5.977 4.481) 7.540 6.843 ( -4.738 1.799 -0.026) 5.069 7.272 ( 4.323 -2.515 4.084) 6.456 7.386 ( -0.336 -7.799 5.247) 9.406 8.215 ( 4.937 -12.581 -6.924) 15.185 8.406 ( -3.552 -14.691 -8.490) 17.336 9.990 ( 1.379 -8.805 0.106) 8.913 10.054 ( -1.714 -2.542 -2.949) 4.254 10.273 ( -2.449 -4.399 0.831) 5.103 10.289 ( -2.276 -5.305 0.009) 5.773 11.815 ( 2.959 -2.155 8.464) 9.222 11.998 ( -5.499 -3.550 7.668) 10.081 12.373 ( 5.749 -4.683 -7.806) 10.766 12.623 ( -6.540 -5.225 -8.126) 11.667 13.327 ( 1.405 9.007 -0.295) 9.121 13.448 ( -4.955 14.097 -4.972) 15.748 15.320 ( 4.843 -12.043 3.272) 13.387 15.522 ( -4.225 -13.976 -3.287) 14.966 ======================= Grid point 292 (95/160) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -4.270 2.990 1.383) 5.393 1.361 ( 4.270 2.990 1.383) 5.393 1.738 ( -4.257 19.999 2.629) 20.615 1.738 ( 4.257 19.999 2.629) 20.615 2.059 ( -9.835 6.005 11.253) 16.107 2.059 ( 9.835 6.005 11.253) 16.107 2.731 ( -6.083 2.161 -4.872) 8.088 2.731 ( 6.083 2.161 -4.872) 8.088 3.129 ( -5.615 21.724 -2.672) 22.596 3.129 ( 5.615 21.724 -2.672) 22.596 4.316 ( -1.082 -0.040 1.031) 1.496 4.316 ( 1.082 -0.040 1.031) 1.496 5.371 ( -6.202 -6.690 1.530) 9.250 5.371 ( 6.202 -6.690 1.530) 9.250 5.698 ( -5.474 -14.976 -1.520) 16.017 5.698 ( 5.474 -14.976 -1.520) 16.017 6.191 ( -4.348 3.244 -0.746) 5.476 6.191 ( 4.348 3.244 -0.746) 5.476 6.751 ( -4.282 3.359 1.754) 5.718 6.751 ( 4.282 3.359 1.754) 5.718 7.348 ( -3.207 -4.729 6.083) 8.346 7.348 ( 3.207 -4.729 6.083) 8.346 8.318 ( -5.167 -12.781 -9.615) 16.808 8.318 ( 5.167 -12.781 -9.615) 16.808 10.021 ( -1.727 -5.794 -1.271) 6.178 10.021 ( 1.727 -5.794 -1.271) 6.178 10.257 ( -0.777 -5.243 0.686) 5.344 10.257 ( 0.777 -5.243 0.686) 5.344 11.895 ( -4.876 -2.470 8.105) 9.776 11.895 ( 4.876 -2.470 8.105) 9.776 12.494 ( -6.498 -4.641 -7.908) 11.238 12.494 ( 6.498 -4.641 -7.908) 11.238 13.370 ( -3.026 11.277 -2.124) 11.867 13.370 ( 3.026 11.277 -2.124) 11.867 15.424 ( -5.434 -13.307 -0.696) 14.391 15.424 ( 5.434 -13.307 -0.696) 14.391 ======================= Grid point 297 (96/160) ======================= q-point: ( 0.00 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.000 18.844 3.953) 19.255 1.222 ( 0.000 14.794 10.051) 17.886 1.717 ( 0.000 12.182 -3.993) 12.820 2.118 ( 0.000 16.266 10.866) 19.562 2.120 ( 0.000 18.481 -6.919) 19.733 2.635 ( 0.000 5.835 -5.491) 8.013 2.722 ( 0.000 12.611 9.377) 15.715 3.280 ( 0.000 13.221 -9.838) 16.480 3.395 ( 0.000 23.158 4.347) 23.562 3.669 ( 0.000 7.062 -3.441) 7.856 4.195 ( 0.000 -2.938 2.707) 3.995 4.331 ( 0.000 -9.322 -2.135) 9.563 5.239 ( 0.000 3.658 -3.142) 4.823 5.386 ( 0.000 1.663 -6.923) 7.120 5.710 ( 0.000 1.558 -0.663) 1.693 5.774 ( 0.000 3.975 -0.753) 4.046 6.262 ( 0.000 -14.534 0.033) 14.534 6.317 ( 0.000 -12.117 1.454) 12.204 6.713 ( 0.000 7.889 5.873) 9.835 6.866 ( 0.000 -8.166 3.142) 8.750 6.990 ( 0.000 -6.080 1.632) 6.295 7.156 ( 0.000 2.590 -6.639) 7.127 7.652 ( 0.000 -18.729 10.641) 21.541 8.285 ( 0.000 -8.258 -8.156) 11.607 9.717 ( 0.000 -12.344 4.374) 13.096 10.106 ( 0.000 -5.780 -3.385) 6.699 10.248 ( 0.000 -1.013 2.913) 3.084 10.499 ( 0.000 -1.417 -8.386) 8.505 11.663 ( 0.000 -10.068 4.323) 10.956 11.994 ( 0.000 -6.920 -9.131) 11.457 12.013 ( 0.000 -17.183 10.154) 19.959 12.616 ( 0.000 -17.157 -5.703) 18.080 13.425 ( 0.000 5.812 1.947) 6.130 13.905 ( 0.000 -0.289 -18.186) 18.188 15.138 ( 0.000 -3.156 6.295) 7.042 15.307 ( 0.000 -8.713 4.441) 9.779 ======================= Grid point 298 (97/160) ======================= q-point: ( 0.12 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 3.956 16.903 3.789) 17.768 1.250 ( 3.008 14.273 8.040) 16.655 1.727 ( 1.241 11.533 -2.792) 11.931 2.111 ( -0.379 15.552 9.060) 18.003 2.136 ( 1.114 17.116 -5.303) 17.953 2.590 ( -3.735 7.400 -4.304) 9.340 2.715 ( -1.574 10.365 8.790) 13.681 3.232 ( -4.474 11.608 -6.086) 13.849 3.434 ( 3.472 23.513 0.775) 23.780 3.632 ( -3.008 7.902 -3.477) 9.143 4.222 ( 2.291 -1.725 2.259) 3.650 4.333 ( 0.003 -8.074 -1.949) 8.306 5.220 ( -1.666 2.954 -2.653) 4.306 5.336 ( -4.064 1.860 -6.124) 7.581 5.684 ( -4.356 -1.052 0.354) 4.495 5.786 ( 1.858 -1.168 -3.519) 4.147 6.162 ( -7.187 -8.556 3.183) 11.619 6.297 ( -1.412 -8.780 1.137) 8.965 6.744 ( 0.902 0.107 5.544) 5.618 6.959 ( 8.187 -3.188 3.226) 9.359 6.978 ( -1.164 -4.491 0.317) 4.650 7.179 ( 2.156 0.200 -4.605) 5.089 7.686 ( 3.721 -18.340 8.548) 20.574 8.253 ( -3.010 -9.811 -7.775) 12.875 9.723 ( 0.701 -11.973 4.396) 12.773 10.090 ( -1.483 -5.370 -3.769) 6.726 10.245 ( -0.370 -1.152 2.305) 2.603 10.458 ( -4.119 -0.787 -7.045) 8.199 11.668 ( 0.496 -9.236 5.172) 10.597 11.982 ( -2.252 -14.476 6.979) 16.227 12.026 ( 2.345 -9.647 -6.832) 12.051 12.582 ( -3.296 -16.950 -6.048) 18.296 13.441 ( 1.484 6.503 1.913) 6.939 13.885 ( -2.025 2.783 -16.935) 17.281 15.093 ( -3.342 -4.958 8.339) 10.261 15.323 ( 0.663 -10.076 1.836) 10.263 ======================= Grid point 299 (98/160) ======================= q-point: ( 0.25 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 4.336 13.458 5.009) 15.000 1.357 ( 6.897 12.253 1.631) 14.155 1.779 ( 4.221 9.462 0.843) 10.395 2.089 ( -2.146 11.418 9.335) 14.903 2.169 ( 2.316 17.113 -4.953) 17.966 2.522 ( -2.458 8.248 -3.780) 9.400 2.640 ( -5.958 7.283 7.972) 12.333 3.106 ( -8.483 5.201 -4.892) 11.088 3.513 ( 4.114 24.584 -0.033) 24.926 3.590 ( -0.499 13.428 -3.133) 13.798 4.266 ( 1.908 -0.145 1.425) 2.386 4.327 ( -0.579 -5.334 -1.498) 5.570 5.202 ( 0.605 -0.638 -2.469) 2.621 5.249 ( -4.148 1.796 -4.145) 6.133 5.572 ( -6.754 -8.218 2.079) 10.838 5.769 ( -4.908 -9.408 -5.103) 11.774 6.062 ( -1.644 -1.715 5.040) 5.572 6.282 ( -0.208 -3.083 0.074) 3.091 6.741 ( -0.617 -2.626 4.422) 5.180 6.937 ( -2.776 -0.907 -0.980) 3.080 7.121 ( 7.095 -2.258 4.183) 8.541 7.224 ( 2.021 -2.961 -0.277) 3.596 7.799 ( 7.250 -16.533 3.543) 18.397 8.180 ( -4.041 -13.116 -6.547) 15.206 9.752 ( 2.441 -10.533 4.176) 11.591 10.059 ( -1.427 -3.683 -4.419) 5.927 10.231 ( -1.246 -1.598 0.914) 2.223 10.345 ( -6.867 -0.468 -3.659) 7.795 11.684 ( 1.262 -8.130 6.538) 10.509 11.932 ( -2.611 -11.899 5.983) 13.572 12.085 ( 3.455 -11.870 -7.594) 14.509 12.496 ( -5.249 -16.838 -6.620) 18.838 13.479 ( 2.331 8.254 1.552) 8.716 13.824 ( -4.168 8.801 -12.933) 16.189 15.047 ( -0.773 -9.288 8.278) 12.465 15.311 ( -2.059 -12.123 -0.709) 12.317 ======================= Grid point 300 (99/160) ======================= q-point: ( 0.38 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 5.195 11.526 1.970) 12.796 1.478 ( 4.260 9.831 -0.635) 10.733 1.885 ( 5.879 6.888 5.696) 10.698 2.033 ( -3.029 6.875 9.979) 12.491 2.223 ( 3.122 18.889 -2.115) 19.262 2.461 ( -7.072 14.495 3.374) 16.478 2.558 ( 2.152 -2.426 -2.967) 4.396 2.905 ( -11.351 -1.562 -5.557) 12.735 3.581 ( 2.664 24.015 0.385) 24.166 3.608 ( 1.435 21.566 -1.671) 21.679 4.292 ( 0.783 -0.069 0.572) 0.972 4.313 ( -0.693 -2.839 -0.946) 3.072 5.200 ( 0.127 -1.066 -1.190) 1.603 5.264 ( 5.284 -4.631 -2.543) 7.472 5.417 ( -8.381 -11.619 2.052) 14.473 5.613 ( -9.717 -11.026 -3.928) 15.213 6.096 ( 4.203 -1.452 4.171) 6.097 6.266 ( -2.071 -1.763 1.292) 3.011 6.744 ( 1.341 -1.236 1.325) 2.254 6.871 ( -3.835 0.274 -1.601) 4.165 7.220 ( 3.040 -5.061 4.181) 7.234 7.259 ( 1.327 -1.895 2.033) 3.080 7.940 ( 6.458 -14.716 -0.065) 16.070 8.107 ( -3.300 -14.950 -4.449) 15.943 9.823 ( 4.743 -7.556 3.258) 9.498 10.027 ( -2.627 -1.044 -3.696) 4.653 10.189 ( -2.892 -3.261 0.128) 4.360 10.225 ( -4.073 -1.782 -1.257) 4.620 11.725 ( 2.978 -7.617 6.312) 10.331 11.875 ( -3.407 -8.794 4.487) 10.444 12.163 ( 4.593 -14.728 -6.745) 16.837 12.384 ( -6.006 -16.890 -6.735) 19.149 13.535 ( 3.509 10.341 0.285) 10.924 13.726 ( -5.548 12.254 -7.274) 15.292 15.071 ( 3.012 -12.497 4.692) 13.685 15.246 ( -4.319 -13.133 -1.102) 13.868 ======================= Grid point 301 (100/160) ======================= q-point: (-0.50 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -2.578 10.210 -0.504) 10.543 1.494 ( 2.578 10.210 -0.504) 10.543 1.977 ( -3.198 5.010 9.676) 11.356 1.977 ( 3.198 5.010 9.676) 11.356 2.312 ( -6.481 17.435 1.347) 18.649 2.312 ( 6.481 17.435 1.347) 18.649 2.689 ( -9.804 -4.288 -5.870) 12.206 2.689 ( 9.804 -4.288 -5.870) 12.206 3.616 ( -0.789 24.300 -0.158) 24.313 3.616 ( 0.789 24.300 -0.158) 24.313 4.303 ( -0.430 -1.158 -0.277) 1.266 4.303 ( 0.430 -1.158 -0.277) 1.266 5.259 ( -5.606 -4.938 1.416) 7.603 5.259 ( 5.606 -4.938 1.416) 7.603 5.422 ( -8.988 -11.123 -3.644) 14.757 5.422 ( 8.988 -11.123 -3.644) 14.757 6.194 ( -4.923 -2.157 3.406) 6.363 6.194 ( 4.923 -2.157 3.406) 6.363 6.795 ( -3.578 0.174 -1.126) 3.755 6.795 ( 3.578 0.174 -1.126) 3.755 7.260 ( -1.172 -3.917 3.004) 5.074 7.260 ( 1.172 -3.917 3.004) 5.074 8.041 ( -3.867 -14.520 -2.209) 15.188 8.041 ( 3.867 -14.520 -2.209) 15.188 9.933 ( -6.084 -3.242 0.806) 6.941 9.933 ( 6.084 -3.242 0.806) 6.941 10.174 ( -1.465 -3.116 -1.256) 3.665 10.174 ( 1.465 -3.116 -1.256) 3.665 11.798 ( -4.141 -7.583 4.968) 9.966 11.798 ( 4.141 -7.583 4.968) 9.966 12.266 ( -5.777 -16.371 -6.506) 18.540 12.266 ( 5.777 -16.371 -6.506) 18.540 13.619 ( -5.028 12.101 -2.529) 13.345 13.619 ( 5.028 12.101 -2.529) 13.345 15.152 ( -4.855 -13.355 0.842) 14.235 15.152 ( 4.855 -13.355 0.842) 14.235 ======================= Grid point 306 (101/160) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.546 ( 0.000 16.810 7.392) 18.363 1.552 ( 0.000 16.994 3.504) 17.352 1.932 ( 0.000 9.409 -4.119) 10.271 2.364 ( 0.000 9.826 9.059) 13.365 2.369 ( 0.000 6.416 -10.482) 12.289 2.754 ( 0.000 5.420 -2.611) 6.016 2.981 ( 0.000 10.848 7.834) 13.380 3.399 ( 0.000 0.866 -7.555) 7.605 3.778 ( 0.000 14.300 0.326) 14.303 3.870 ( 0.000 8.867 -2.277) 9.155 4.215 ( 0.000 6.108 3.039) 6.822 4.239 ( 0.000 2.602 1.925) 3.237 5.211 ( 0.000 -7.540 -2.948) 8.096 5.331 ( 0.000 -7.925 -6.995) 10.571 5.751 ( 0.000 5.362 0.860) 5.431 5.859 ( 0.000 5.852 -2.872) 6.519 6.002 ( 0.000 -10.733 2.986) 11.141 6.145 ( 0.000 -6.322 -0.022) 6.322 6.728 ( 0.000 -5.502 2.626) 6.096 6.795 ( 0.000 -0.912 2.318) 2.491 6.917 ( 0.000 0.614 10.161) 10.180 7.218 ( 0.000 3.385 -2.698) 4.329 7.368 ( 0.000 -9.439 6.827) 11.649 8.086 ( 0.000 -12.498 -11.759) 17.160 9.479 ( 0.000 -10.888 6.155) 12.508 9.930 ( 0.000 -11.774 -3.906) 12.405 10.293 ( 0.000 5.338 1.726) 5.610 10.474 ( 0.000 -1.025 -7.609) 7.678 11.441 ( 0.000 -11.969 8.027) 14.411 11.647 ( 0.000 -18.357 8.605) 20.274 11.822 ( 0.000 -10.326 -7.899) 13.001 12.240 ( 0.000 -20.077 -5.262) 20.755 13.516 ( 0.000 3.170 -0.727) 3.252 13.834 ( 0.000 -5.768 -14.660) 15.753 15.069 ( 0.000 -3.650 5.062) 6.241 15.157 ( 0.000 -6.400 4.522) 7.836 ======================= Grid point 307 (102/160) ======================= q-point: ( 0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 1.974 15.991 4.158) 16.640 1.575 ( 2.041 17.024 4.929) 17.840 1.930 ( 0.058 8.983 -3.216) 9.541 2.337 ( -2.554 8.623 7.237) 11.543 2.378 ( 0.831 7.134 -8.675) 11.262 2.714 ( -3.789 4.946 -2.224) 6.615 2.948 ( -3.352 10.126 7.171) 12.853 3.323 ( -7.525 -0.161 -5.955) 9.598 3.810 ( 2.405 12.039 -0.781) 12.301 3.867 ( 1.301 13.394 -1.482) 13.539 4.228 ( 1.256 2.298 2.198) 3.419 4.285 ( 3.634 6.298 1.545) 7.434 5.213 ( -0.121 -5.998 -3.348) 6.870 5.267 ( -5.439 -7.477 -4.863) 10.447 5.710 ( -5.499 5.052 -1.723) 7.664 5.745 ( -8.253 -1.020 -2.509) 8.686 6.014 ( 1.066 -5.128 3.999) 6.590 6.176 ( 1.821 -5.067 -0.144) 5.386 6.695 ( -2.263 -3.155 4.836) 6.202 6.848 ( 3.062 -5.545 1.116) 6.432 6.969 ( 4.725 0.144 8.876) 10.056 7.222 ( 0.706 3.243 -1.754) 3.754 7.400 ( 3.538 -9.770 5.856) 11.927 8.027 ( -5.534 -13.547 -10.572) 18.053 9.497 ( 1.983 -10.125 6.118) 11.995 9.927 ( -0.045 -10.871 -4.031) 11.594 10.281 ( -1.170 4.623 1.115) 4.897 10.443 ( -3.250 -0.670 -6.619) 7.404 11.445 ( 0.326 -12.792 8.501) 15.363 11.646 ( 0.082 -17.073 6.998) 18.452 11.831 ( 0.641 -10.850 -7.556) 13.237 12.207 ( -3.290 -20.120 -5.383) 21.086 13.544 ( 2.681 3.699 -0.254) 4.575 13.864 ( 2.871 -3.781 -14.186) 14.960 15.003 ( -5.761 -4.064 6.874) 9.847 15.149 ( -1.263 -7.402 2.555) 7.932 ======================= Grid point 308 (103/160) ======================= q-point: ( 0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 3.039 17.360 3.147) 17.903 1.628 ( 4.335 13.731 1.463) 14.473 1.946 ( 1.777 7.648 0.299) 7.857 2.264 ( -4.837 7.588 6.457) 11.076 2.406 ( 2.179 6.486 -7.804) 10.379 2.620 ( -5.153 3.277 -1.341) 6.252 2.854 ( -5.887 9.866 4.186) 12.228 3.118 ( -12.698 -1.807 -4.137) 13.476 3.857 ( 3.273 11.389 0.207) 11.852 3.950 ( 5.813 18.056 -1.398) 19.020 4.250 ( 0.746 0.368 1.394) 1.623 4.348 ( 2.150 7.784 -0.046) 8.076 5.158 ( -4.263 -5.783 -3.206) 7.867 5.200 ( -1.729 -4.822 -4.120) 6.574 5.512 ( -10.153 1.633 0.172) 10.284 5.637 ( -6.354 -0.924 -3.399) 7.265 6.011 ( -0.529 -3.630 4.183) 5.563 6.211 ( 1.332 -4.614 0.803) 4.869 6.654 ( -1.403 -4.806 3.787) 6.277 6.872 ( -0.859 -5.446 0.167) 5.516 7.058 ( 3.617 -2.787 6.306) 7.785 7.254 ( 2.089 3.147 -0.461) 3.805 7.511 ( 7.250 -11.601 5.097) 14.599 7.901 ( -6.121 -15.029 -6.750) 17.576 9.564 ( 4.933 -8.148 5.910) 11.210 9.939 ( 1.468 -8.387 -4.239) 9.511 10.244 ( -2.822 2.611 -0.153) 3.848 10.341 ( -7.001 -0.085 -3.660) 7.901 11.459 ( 1.425 -13.829 8.050) 16.065 11.657 ( 0.928 -14.539 4.016) 15.112 11.838 ( 0.060 -12.599 -6.485) 14.170 12.118 ( -5.483 -20.257 -5.428) 21.676 13.614 ( 4.343 5.261 0.630) 6.851 13.924 ( 2.285 1.741 -12.245) 12.578 14.883 ( -5.238 -6.912 8.006) 11.803 15.100 ( -3.651 -9.027 0.205) 9.739 ======================= Grid point 309 (104/160) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 3.884 15.871 0.372) 16.343 1.721 ( 4.315 14.018 -0.070) 14.667 1.996 ( 2.740 5.190 5.533) 8.066 2.153 ( -6.112 6.455 6.508) 11.017 2.465 ( 3.885 0.798 -5.643) 6.897 2.554 ( -0.254 5.360 -2.900) 6.100 2.733 ( -6.158 10.901 -0.105) 12.520 2.848 ( -14.035 -2.486 -3.135) 14.594 3.942 ( 4.979 13.037 1.523) 14.038 4.046 ( 2.679 19.752 0.168) 19.933 4.263 ( 1.286 -0.669 -0.304) 1.481 4.359 ( -1.035 7.465 -1.472) 7.679 5.111 ( -0.500 -7.322 -2.620) 7.792 5.162 ( -1.782 -3.783 -4.362) 6.042 5.354 ( -5.155 2.798 1.054) 5.960 5.484 ( -8.493 -0.243 -2.780) 8.940 6.032 ( 2.967 -5.259 5.297) 8.033 6.200 ( -2.765 -4.770 4.260) 6.968 6.662 ( 2.389 -6.787 -0.959) 7.259 6.822 ( -3.826 -5.406 -1.231) 6.736 7.121 ( 3.279 -3.083 2.720) 5.259 7.261 ( -1.959 -0.215 -0.980) 2.201 7.656 ( 6.775 -13.006 5.074) 15.518 7.815 ( -2.779 -14.136 -0.617) 14.420 9.695 ( 8.345 -5.328 5.258) 11.211 9.979 ( 1.517 -4.350 -3.579) 5.834 10.144 ( -7.234 -1.364 0.447) 7.375 10.208 ( -5.165 -0.172 -2.114) 5.584 11.511 ( 3.889 -13.160 5.287) 14.706 11.661 ( -1.248 -12.115 1.919) 12.329 11.845 ( 1.237 -16.023 -4.723) 16.751 12.003 ( -5.858 -20.246 -4.896) 21.637 13.712 ( 5.581 7.410 0.652) 9.300 13.922 ( -2.802 7.586 -7.196) 10.824 14.836 ( 0.841 -10.877 5.141) 12.060 15.010 ( -5.335 -10.543 -0.739) 11.839 ======================= Grid point 310 (105/160) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -1.461 15.344 -0.985) 15.445 1.756 ( 1.461 15.344 -0.985) 15.445 2.050 ( -3.672 3.906 8.076) 9.693 2.050 ( 3.672 3.906 8.076) 9.693 2.584 ( -5.656 -3.924 -6.953) 9.784 2.584 ( 5.656 -3.924 -6.953) 9.784 2.629 ( -0.841 11.021 -0.158) 11.054 2.629 ( 0.841 11.021 -0.158) 11.054 4.032 ( -3.495 15.855 1.810) 16.337 4.032 ( 3.495 15.855 1.810) 16.337 4.314 ( -3.167 4.208 -1.842) 5.580 4.314 ( 3.167 4.208 -1.842) 5.580 5.127 ( -1.724 -6.630 -2.920) 7.447 5.127 ( 1.724 -6.630 -2.920) 7.447 5.345 ( -4.322 2.544 -1.135) 5.142 5.345 ( 4.322 2.544 -1.135) 5.142 6.117 ( -5.015 -5.652 5.962) 9.625 6.117 ( 5.015 -5.652 5.962) 9.625 6.736 ( -4.571 -6.342 -2.600) 8.239 6.736 ( 4.571 -6.342 -2.600) 8.239 7.194 ( -4.061 -2.767 -0.155) 4.917 7.194 ( 4.061 -2.767 -0.155) 4.917 7.760 ( -3.694 -13.149 3.639) 14.134 7.760 ( 3.694 -13.149 3.639) 14.134 9.881 ( -9.845 -2.198 3.129) 10.561 9.881 ( 9.845 -2.198 3.129) 10.561 10.119 ( -3.816 -2.862 -2.584) 5.425 10.119 ( 3.816 -2.862 -2.584) 5.425 11.600 ( -4.509 -11.746 2.395) 12.808 11.600 ( 4.509 -11.746 2.395) 12.808 11.900 ( -4.289 -19.063 -4.130) 19.971 11.900 ( 4.289 -19.063 -4.130) 19.971 13.829 ( -5.927 8.980 -1.728) 10.897 13.829 ( 5.927 8.980 -1.728) 10.897 14.902 ( -5.142 -11.690 0.879) 12.801 14.902 ( 5.142 -11.690 0.879) 12.801 ======================= Grid point 315 (106/160) ======================= q-point: ( 0.00 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 12.335 4.201) 13.030 1.855 ( 0.000 13.147 3.500) 13.605 2.101 ( 0.000 7.528 -3.997) 8.524 2.408 ( 0.000 -1.621 -10.564) 10.687 2.562 ( 0.000 10.881 6.338) 12.593 2.840 ( 0.000 3.660 -1.336) 3.897 3.094 ( 0.000 0.814 5.923) 5.979 3.332 ( 0.000 -6.730 -3.171) 7.439 4.017 ( 0.000 11.465 -1.801) 11.606 4.055 ( 0.000 11.428 -2.828) 11.773 4.356 ( 0.000 4.595 3.129) 5.560 4.357 ( 0.000 3.998 3.204) 5.123 5.035 ( 0.000 -6.577 -2.058) 6.892 5.125 ( 0.000 -10.097 -6.743) 12.141 5.797 ( 0.000 -7.795 3.874) 8.704 5.850 ( 0.000 -1.317 1.654) 2.115 6.057 ( 0.000 11.357 -1.713) 11.485 6.104 ( 0.000 7.134 -0.014) 7.134 6.648 ( 0.000 -2.467 1.616) 2.949 6.769 ( 0.000 -0.659 -0.005) 0.659 6.915 ( 0.000 -2.429 13.163) 13.386 7.281 ( 0.000 0.144 2.288) 2.293 7.282 ( 0.000 2.764 0.776) 2.871 7.779 ( 0.000 -17.893 -10.344) 20.667 9.298 ( 0.000 -7.278 4.085) 8.346 9.653 ( 0.000 -15.235 -3.553) 15.644 10.449 ( 0.000 9.877 -0.632) 9.897 10.464 ( 0.000 0.286 -4.440) 4.449 11.177 ( 0.000 -14.650 12.693) 19.384 11.345 ( 0.000 -10.568 4.675) 11.556 11.591 ( 0.000 -12.526 -5.273) 13.590 11.838 ( 0.000 -19.729 -4.758) 20.294 13.553 ( 0.000 0.698 -4.253) 4.309 13.710 ( 0.000 -5.978 -12.298) 13.674 15.001 ( 0.000 -2.953 4.268) 5.190 15.050 ( 0.000 -4.390 4.044) 5.969 ======================= Grid point 316 (107/160) ======================= q-point: ( 0.12 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.225 11.619 2.657) 11.921 1.892 ( 2.924 13.502 4.238) 14.450 2.093 ( -0.532 7.256 -4.127) 8.365 2.423 ( 1.190 -0.215 -9.147) 9.227 2.532 ( -2.659 10.041 5.262) 11.644 2.785 ( -5.352 2.887 -0.704) 6.122 3.056 ( -3.538 1.098 4.325) 5.694 3.254 ( -7.553 -6.045 -2.628) 10.024 4.023 ( 1.253 11.312 -1.121) 11.436 4.105 ( 4.522 11.757 -3.166) 12.988 4.354 ( 0.922 6.204 3.930) 7.402 4.416 ( 3.996 3.198 1.764) 5.414 5.047 ( 0.764 -6.666 -2.487) 7.155 5.113 ( -0.671 -6.606 -5.394) 8.555 5.702 ( -8.134 -4.348 3.172) 9.753 5.812 ( -3.340 1.556 -1.461) 3.964 6.048 ( -1.426 8.907 0.154) 9.022 6.104 ( -0.736 1.165 0.050) 1.379 6.643 ( -1.404 -1.984 3.813) 4.522 6.768 ( -0.556 -3.075 1.745) 3.579 6.932 ( 2.451 -3.276 9.814) 10.633 7.281 ( 0.611 1.822 0.887) 2.116 7.305 ( 1.807 -0.202 2.522) 3.109 7.712 ( -6.056 -17.514 -9.189) 20.685 9.329 ( 3.226 -6.805 4.189) 8.617 9.669 ( 1.792 -14.341 -3.435) 14.855 10.417 ( -3.255 8.487 -1.124) 9.159 10.436 ( -3.010 0.131 -4.248) 5.208 11.167 ( -0.595 -14.482 12.009) 18.823 11.362 ( 1.547 -10.405 4.204) 11.328 11.595 ( 0.066 -12.611 -4.662) 13.446 11.805 ( -3.176 -19.515 -4.671) 20.316 13.591 ( 3.776 1.248 -3.449) 5.264 13.770 ( 5.819 -5.014 -11.660) 13.963 14.935 ( -6.316 -2.684 5.273) 8.655 15.025 ( -2.670 -5.168 2.706) 6.416 ======================= Grid point 317 (108/160) ======================= q-point: ( 0.25 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 2.002 9.646 2.170) 10.087 1.964 ( 4.331 14.735 2.126) 15.505 2.092 ( 0.555 6.697 -2.102) 7.041 2.415 ( -2.925 6.414 0.461) 7.064 2.493 ( -0.906 4.700 -3.627) 6.005 2.651 ( -7.021 0.663 -0.893) 7.108 2.967 ( -5.385 1.518 0.673) 5.635 3.061 ( -11.163 -3.395 -1.544) 11.770 4.074 ( 3.837 11.368 0.210) 12.000 4.218 ( 6.626 11.124 -3.444) 13.398 4.369 ( -0.004 8.072 4.063) 9.037 4.489 ( 2.885 3.741 -0.204) 4.729 5.040 ( -0.892 -3.737 -2.398) 4.528 5.125 ( 1.330 -1.359 -4.217) 4.626 5.536 ( -7.621 -0.117 3.036) 8.204 5.720 ( -6.387 5.349 -3.712) 9.121 5.976 ( -4.862 1.951 1.662) 5.496 6.093 ( -0.397 -5.510 0.678) 5.565 6.567 ( -5.517 -4.167 4.768) 8.398 6.745 ( -2.224 -7.103 1.590) 7.611 7.007 ( 4.350 -2.451 5.326) 7.301 7.284 ( -1.345 -1.343 -0.417) 1.945 7.361 ( 4.017 -2.949 4.355) 6.618 7.594 ( -4.397 -15.138 -4.427) 16.373 9.429 ( 7.075 -5.418 4.478) 9.973 9.732 ( 4.756 -11.798 -3.240) 13.126 10.316 ( -7.266 3.596 -1.268) 8.206 10.343 ( -6.219 0.893 -3.353) 7.121 11.175 ( 1.844 -13.375 9.428) 16.468 11.397 ( 1.801 -10.631 3.155) 11.235 11.584 ( -1.209 -12.998 -3.208) 13.442 11.721 ( -5.186 -18.685 -4.273) 19.857 13.694 ( 6.505 3.020 -1.437) 7.315 13.916 ( 8.119 -1.991 -10.269) 13.241 14.778 ( -8.718 -3.619 6.422) 11.417 14.945 ( -5.363 -6.713 0.521) 8.608 ======================= Grid point 318 (109/160) ======================= q-point: ( 0.38 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 4.018 7.978 2.489) 9.273 2.059 ( 4.129 16.396 -1.915) 17.016 2.102 ( 0.597 5.085 4.680) 6.936 2.342 ( -4.727 12.703 0.622) 13.568 2.430 ( -3.034 -1.475 -0.638) 3.433 2.582 ( -1.609 -2.618 -7.197) 7.826 2.830 ( -7.469 0.288 -1.223) 7.574 2.882 ( -5.906 3.843 -1.956) 7.312 4.164 ( 5.056 10.941 1.490) 12.145 4.335 ( -0.720 8.137 2.490) 8.539 4.358 ( 4.543 11.073 -2.485) 12.224 4.514 ( -0.545 5.722 -2.272) 6.181 5.042 ( 1.241 0.622 -1.268) 1.880 5.129 ( -1.270 2.301 -3.618) 4.472 5.431 ( -2.639 3.324 1.822) 4.618 5.569 ( -8.137 6.496 -2.917) 10.813 5.917 ( -0.100 -4.684 3.763) 6.009 6.065 ( -3.210 -8.470 3.558) 9.732 6.490 ( -0.819 -9.589 -0.236) 9.627 6.665 ( -5.774 -10.392 -1.019) 11.933 7.084 ( 3.472 -1.266 2.380) 4.396 7.222 ( -4.035 -3.256 -1.649) 5.441 7.453 ( 4.781 -7.185 5.914) 10.463 7.555 ( -0.625 -11.828 2.151) 12.038 9.608 ( 11.003 -3.378 4.576) 12.386 9.852 ( 6.887 -7.956 -2.868) 10.907 10.128 ( -11.245 -0.389 0.885) 11.286 10.203 ( -7.898 -0.735 -3.123) 8.525 11.246 ( 5.233 -12.046 5.281) 14.156 11.420 ( -0.077 -11.109 1.888) 11.268 11.552 ( -1.664 -13.233 -1.717) 13.447 11.614 ( -5.036 -17.853 -2.794) 18.759 13.839 ( 7.931 5.552 0.197) 9.683 14.037 ( 2.507 4.083 -6.878) 8.383 14.645 ( -3.113 -8.016 4.939) 9.917 14.819 ( -7.167 -8.758 -1.018) 11.362 ======================= Grid point 319 (110/160) ======================= q-point: (-0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -5.102 7.836 3.020) 9.826 2.014 ( 5.102 7.836 3.020) 9.826 2.209 ( -7.375 13.125 1.246) 15.106 2.209 ( 7.375 13.125 1.246) 15.106 2.485 ( -6.627 -4.081 -4.187) 8.838 2.485 ( 6.627 -4.081 -4.187) 8.838 2.793 ( -2.856 4.498 -3.087) 6.158 2.793 ( 2.856 4.498 -3.087) 6.158 4.263 ( -4.727 10.126 2.636) 11.482 4.263 ( 4.727 10.126 2.636) 11.482 4.466 ( -4.338 8.144 -3.453) 9.852 4.466 ( 4.338 8.144 -3.453) 9.852 5.084 ( -2.751 2.852 -1.522) 4.245 5.084 ( 2.751 2.852 -1.522) 4.245 5.442 ( -3.846 5.783 -1.169) 7.043 5.442 ( 3.846 5.783 -1.169) 7.043 5.973 ( -4.972 -8.076 5.340) 10.884 5.973 ( 4.972 -8.076 5.340) 10.884 6.544 ( -5.489 -12.345 -3.030) 13.846 6.544 ( 5.489 -12.345 -3.030) 13.846 7.149 ( -3.330 -1.690 0.181) 3.739 7.149 ( 3.330 -1.690 0.181) 3.739 7.529 ( -2.550 -10.177 5.218) 11.718 7.529 ( 2.550 -10.177 5.218) 11.718 9.843 ( -11.610 -1.496 3.311) 12.165 9.843 ( 11.610 -1.496 3.311) 12.165 10.045 ( -7.008 -4.600 -2.823) 8.846 10.045 ( 7.008 -4.600 -2.823) 8.846 11.361 ( -5.584 -11.192 1.841) 12.643 11.361 ( 5.584 -11.192 1.841) 12.643 11.548 ( -1.621 -15.625 -1.055) 15.744 11.548 ( 1.621 -15.625 -1.055) 15.744 13.988 ( -6.416 7.377 -1.106) 9.839 13.988 ( 6.416 7.377 -1.106) 9.839 14.682 ( -5.843 -10.519 0.097) 12.033 14.682 ( 5.843 -10.519 0.097) 12.033 ======================= Grid point 324 (111/160) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.042 ( 0.000 8.194 0.032) 8.194 2.068 ( 0.000 8.262 2.296) 8.575 2.206 ( 0.000 2.326 -2.153) 3.170 2.331 ( 0.000 -5.619 -7.745) 9.569 2.799 ( 0.000 12.118 3.166) 12.525 2.919 ( 0.000 4.295 0.043) 4.295 3.066 ( 0.000 -2.316 3.936) 4.567 3.183 ( 0.000 -7.472 -0.741) 7.508 4.233 ( 0.000 9.243 -1.031) 9.300 4.270 ( 0.000 6.867 -1.088) 6.953 4.318 ( 0.000 -5.333 -0.082) 5.333 4.349 ( 0.000 -3.041 -1.106) 3.236 5.000 ( 0.000 1.215 -1.198) 1.706 5.007 ( 0.000 -1.668 -3.540) 3.913 5.680 ( 0.000 -3.504 5.224) 6.290 5.743 ( 0.000 -5.860 4.635) 7.471 6.306 ( 0.000 13.042 -0.216) 13.044 6.373 ( 0.000 15.700 -1.819) 15.805 6.625 ( 0.000 -0.260 0.222) 0.342 6.725 ( 0.000 -5.423 1.934) 5.757 6.868 ( 0.000 0.147 6.453) 6.455 7.295 ( 0.000 -5.678 1.549) 5.885 7.320 ( 0.000 2.582 2.072) 3.310 7.422 ( 0.000 -13.027 -4.376) 13.743 9.191 ( 0.000 -3.168 0.308) 3.183 9.364 ( 0.000 -12.538 -2.708) 12.827 10.497 ( 0.000 3.298 0.016) 3.298 10.648 ( 0.000 7.193 -2.468) 7.605 10.925 ( 0.000 -6.927 11.129) 13.108 11.224 ( 0.000 -1.853 3.221) 3.716 11.331 ( 0.000 -13.736 -2.009) 13.883 11.481 ( 0.000 -15.070 -3.566) 15.486 13.556 ( 0.000 -0.050 -7.471) 7.471 13.612 ( 0.000 -3.696 -11.028) 11.631 14.957 ( 0.000 -1.373 3.933) 4.166 14.980 ( 0.000 -2.554 3.833) 4.606 ======================= Grid point 325 (112/160) ======================= q-point: ( 0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -0.560 8.804 0.783) 8.857 2.093 ( 2.619 7.028 1.774) 7.707 2.192 ( -0.913 2.098 -3.173) 3.912 2.363 ( 2.648 -5.610 -6.613) 9.067 2.752 ( -4.498 11.017 2.936) 12.257 2.868 ( -4.711 5.817 0.401) 7.496 3.032 ( -3.542 -2.925 1.972) 4.999 3.127 ( -5.121 -5.873 -0.337) 7.799 4.240 ( 1.528 8.932 -0.533) 9.077 4.315 ( 3.938 5.971 -2.116) 7.459 4.372 ( 4.788 -2.312 -0.009) 5.317 4.395 ( 4.134 -2.360 -0.461) 4.782 4.995 ( 0.865 0.847 -1.725) 2.108 5.056 ( 3.635 -0.215 -2.324) 4.320 5.625 ( -4.901 -2.137 5.165) 7.434 5.735 ( -1.069 -6.229 2.480) 6.789 6.257 ( -5.098 11.654 -0.071) 12.720 6.297 ( -7.205 13.739 -1.337) 15.571 6.613 ( -2.951 -1.821 1.842) 3.926 6.677 ( -4.234 -6.549 3.267) 8.455 6.894 ( 2.994 0.626 4.038) 5.066 7.269 ( -2.570 -7.537 0.349) 7.971 7.324 ( 0.254 0.631 2.136) 2.241 7.392 ( -2.354 -8.782 -2.475) 9.422 9.229 ( 3.957 -2.939 0.677) 4.975 9.396 ( 3.379 -11.904 -2.429) 12.610 10.460 ( -3.823 2.621 -0.691) 4.686 10.578 ( -6.827 5.091 -2.648) 8.918 10.937 ( 1.420 -5.379 10.207) 11.625 11.237 ( 1.114 -2.391 3.089) 4.062 11.329 ( -0.595 -14.150 -1.054) 14.202 11.464 ( -1.562 -13.618 -3.168) 14.068 13.606 ( 5.054 0.625 -6.534) 8.284 13.682 ( 6.804 -3.654 -10.092) 12.708 14.898 ( -5.861 -0.930 4.208) 7.274 14.942 ( -3.879 -3.157 3.031) 5.848 ======================= Grid point 326 (113/160) ======================= q-point: ( 0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 0.225 7.900 1.503) 8.045 2.159 ( 3.132 4.970 1.440) 6.049 2.187 ( 1.032 2.781 -3.597) 4.662 2.408 ( 1.059 -6.241 -3.923) 7.447 2.647 ( -5.130 9.436 1.025) 10.789 2.756 ( -6.219 9.278 -0.101) 11.170 2.925 ( -6.849 -4.215 -0.367) 8.051 3.017 ( -5.476 -1.876 -0.573) 5.817 4.297 ( 4.014 9.837 -0.049) 10.625 4.415 ( 5.883 5.723 -2.831) 8.682 4.467 ( 3.866 2.790 0.754) 4.827 4.491 ( 5.304 -1.138 -0.544) 5.452 5.034 ( 2.974 2.658 -0.623) 4.037 5.141 ( 4.844 0.926 -2.099) 5.360 5.515 ( -5.663 -0.446 4.602) 7.310 5.698 ( -2.766 -6.930 -0.691) 7.493 6.099 ( -10.277 9.370 -0.268) 13.910 6.132 ( -8.678 9.307 0.017) 12.725 6.470 ( -9.635 -6.098 4.057) 12.102 6.582 ( -6.788 -9.668 0.826) 11.842 6.978 ( 4.982 0.417 2.868) 5.763 7.212 ( -2.598 -6.307 -1.194) 6.925 7.330 ( 0.403 -2.832 2.683) 3.922 7.356 ( -1.093 -5.296 1.551) 5.625 9.351 ( 8.603 -2.076 1.536) 8.982 9.504 ( 7.683 -10.072 -1.904) 12.811 10.342 ( -8.326 1.144 -1.099) 8.476 10.399 ( -10.798 1.749 -3.183) 11.392 10.986 ( 3.616 -3.875 8.193) 9.758 11.257 ( 0.675 -3.222 2.827) 4.339 11.304 ( -1.528 -14.687 0.546) 14.776 11.422 ( -2.823 -10.745 -2.115) 11.309 13.746 ( 8.894 2.470 -3.945) 10.038 13.861 ( 10.906 -3.171 -8.260) 14.044 14.738 ( -9.951 -0.412 4.442) 10.905 14.831 ( -7.329 -4.739 1.269) 8.819 ======================= Grid point 327 (114/160) ======================= q-point: ( 0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 2.516 6.399 1.999) 7.161 2.179 ( -0.621 2.784 0.673) 2.931 2.247 ( 3.589 1.722 -1.459) 4.240 2.381 ( -2.993 -4.802 -0.122) 5.659 2.589 ( -1.343 8.436 -2.175) 8.815 2.637 ( -5.412 11.847 -1.485) 13.109 2.815 ( -2.845 -1.650 -1.485) 3.608 2.914 ( -4.978 -0.640 -2.457) 5.588 4.386 ( 4.703 10.536 0.515) 11.549 4.503 ( 0.330 6.233 0.607) 6.271 4.531 ( 4.815 7.133 -2.153) 8.871 4.580 ( 3.112 1.840 -1.301) 3.843 5.108 ( 4.407 5.013 0.573) 6.699 5.226 ( 2.441 4.904 -1.958) 5.817 5.434 ( -1.346 -2.453 3.682) 4.625 5.616 ( -5.752 -5.036 -1.870) 7.871 5.920 ( -6.490 5.747 0.430) 8.679 5.972 ( -6.976 3.131 0.810) 7.689 6.302 ( -5.952 -9.298 1.038) 11.088 6.415 ( -8.984 -14.000 -0.952) 16.662 7.071 ( 4.197 0.594 2.307) 4.826 7.174 ( -1.569 -1.210 0.002) 1.982 7.338 ( 0.325 -5.684 3.650) 6.763 7.346 ( -0.118 -8.188 3.766) 9.013 9.564 ( 12.745 -0.847 2.111) 12.947 9.692 ( 11.004 -7.320 -1.670) 13.322 10.126 ( -13.195 0.237 0.178) 13.199 10.176 ( -11.759 -1.820 -3.332) 12.356 11.078 ( 5.538 -4.068 5.429) 8.757 11.255 ( -1.114 -4.848 2.518) 5.575 11.284 ( -0.390 -12.863 1.334) 12.938 11.351 ( -4.109 -8.792 -0.169) 9.706 13.943 ( 10.711 5.039 -1.156) 11.893 14.080 ( 10.061 -0.023 -6.052) 11.741 14.533 ( -9.620 -2.612 3.837) 10.681 14.660 ( -9.686 -7.080 -0.652) 12.016 ======================= Grid point 328 (115/160) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -4.039 4.784 2.401) 6.705 2.125 ( 4.039 4.784 2.401) 6.705 2.320 ( -3.600 -3.795 -1.264) 5.381 2.320 ( 3.600 -3.795 -1.264) 5.381 2.573 ( -0.763 12.132 -1.464) 12.244 2.573 ( 0.763 12.132 -1.464) 12.244 2.828 ( -3.326 -0.588 -3.263) 4.697 2.828 ( 3.326 -0.588 -3.263) 4.697 4.469 ( -3.355 9.842 1.018) 10.448 4.469 ( 3.355 9.842 1.018) 10.448 4.598 ( -1.380 5.029 -2.165) 5.646 4.598 ( 1.380 5.029 -2.165) 5.646 5.198 ( -4.196 7.059 0.571) 8.232 5.198 ( 4.196 7.059 0.571) 8.232 5.491 ( -5.964 -3.460 -0.308) 6.902 5.491 ( 5.964 -3.460 -0.308) 6.902 5.876 ( -2.040 1.560 1.337) 2.895 5.876 ( 2.040 1.560 1.337) 2.895 6.279 ( -3.668 -13.505 -1.677) 14.094 6.279 ( 3.668 -13.505 -1.677) 14.094 7.137 ( -2.459 0.870 1.475) 2.996 7.137 ( 2.459 0.870 1.475) 2.996 7.343 ( -0.239 -8.503 4.247) 9.508 7.343 ( 0.239 -8.503 4.247) 9.508 9.829 ( -11.612 0.252 1.489) 11.710 9.829 ( 11.612 0.252 1.489) 11.710 9.944 ( -9.439 -5.097 -2.251) 10.961 9.944 ( 9.439 -5.097 -2.251) 10.961 11.191 ( -5.335 -5.201 2.705) 7.927 11.191 ( 5.335 -5.201 2.705) 7.927 11.293 ( -1.412 -9.753 1.676) 9.996 11.293 ( 1.413 -9.753 1.676) 9.996 14.135 ( -6.642 7.606 -0.942) 10.142 14.135 ( 6.642 7.606 -0.942) 10.142 14.481 ( -6.385 -9.712 -0.609) 11.639 14.481 ( 6.385 -9.712 -0.609) 11.639 ======================= Grid point 333 (116/160) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.187 ( 0.000 -2.010 -0.893) 2.200 2.187 ( 0.000 2.010 -0.893) 2.200 2.199 ( 0.000 -5.754 -3.089) 6.531 2.199 ( 0.000 5.754 -3.089) 6.531 2.980 ( 0.000 -1.430 0.967) 1.726 2.980 ( 0.000 1.430 0.967) 1.726 3.046 ( 0.000 -4.171 2.263) 4.746 3.046 ( 0.000 4.171 2.263) 4.746 4.250 ( 0.000 -0.679 -2.323) 2.420 4.250 ( 0.000 0.679 -2.323) 2.420 4.360 ( 0.000 -2.030 -0.699) 2.147 4.360 ( 0.000 2.030 -0.699) 2.147 5.010 ( 0.000 -0.576 -1.399) 1.512 5.010 ( 0.000 0.576 -1.399) 1.512 5.664 ( 0.000 -1.769 5.414) 5.696 5.664 ( 0.000 1.769 5.414) 5.696 6.553 ( 0.000 -11.069 2.542) 11.358 6.553 ( 0.000 11.069 2.542) 11.358 6.598 ( 0.000 -4.600 -2.315) 5.150 6.598 ( 0.000 4.600 -2.315) 5.150 7.000 ( 0.000 -14.181 0.773) 14.202 7.000 ( 0.000 14.181 0.773) 14.202 7.358 ( 0.000 -1.069 2.285) 2.523 7.358 ( 0.000 1.069 2.285) 2.523 9.194 ( 0.000 -4.133 -1.856) 4.530 9.194 ( 0.000 4.133 -1.856) 4.530 10.600 ( 0.000 -6.724 3.215) 7.453 10.600 ( 0.000 6.724 3.215) 7.453 11.046 ( 0.000 -13.711 0.633) 13.725 11.046 ( 0.000 13.711 0.633) 13.725 11.269 ( 0.000 -6.298 0.114) 6.299 11.269 ( 0.000 6.298 0.114) 6.299 13.564 ( 0.000 -1.193 -9.705) 9.778 13.564 ( 0.000 1.193 -9.705) 9.778 14.949 ( 0.000 -0.593 3.828) 3.874 14.949 ( 0.000 0.593 3.828) 3.874 ======================= Grid point 335 (117/160) ======================= q-point: ( 0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -0.815 -3.280 0.048) 3.380 2.179 ( -0.815 3.280 0.048) 3.380 2.219 ( 2.044 -7.764 -3.651) 8.819 2.219 ( 2.044 7.764 -3.651) 8.819 2.925 ( -5.064 -5.549 0.587) 7.535 2.925 ( -5.064 5.549 0.587) 7.535 3.016 ( -2.934 -5.549 1.737) 6.513 3.016 ( -2.934 5.549 1.737) 6.513 4.299 ( 4.599 -0.313 -2.184) 5.101 4.299 ( 4.599 0.313 -2.184) 5.101 4.403 ( 4.143 -1.688 -0.639) 4.519 4.403 ( 4.143 1.688 -0.639) 4.519 5.037 ( 2.668 -2.156 -1.031) 3.581 5.037 ( 2.668 2.156 -1.031) 3.581 5.636 ( -2.759 -3.095 4.484) 6.107 5.636 ( -2.759 3.095 4.484) 6.107 6.487 ( -6.672 -10.447 1.777) 12.523 6.487 ( -6.672 10.447 1.777) 12.523 6.535 ( -6.338 -8.748 -0.744) 10.828 6.535 ( -6.338 8.748 -0.744) 10.828 7.008 ( 1.185 -11.396 0.415) 11.465 7.008 ( 1.185 11.396 0.415) 11.465 7.347 ( -1.198 -1.152 2.428) 2.943 7.347 ( -1.198 1.152 2.428) 2.943 9.233 ( 4.155 -4.001 -1.446) 5.947 9.233 ( 4.155 4.001 -1.446) 5.947 10.544 ( -5.690 -5.339 1.332) 7.916 10.544 ( -5.690 5.339 1.332) 7.916 11.041 ( -0.254 -12.557 1.814) 12.690 11.041 ( -0.254 12.557 1.814) 12.690 11.276 ( 0.446 -5.533 0.584) 5.581 11.276 ( 0.446 5.533 0.584) 5.581 13.628 ( 6.293 -1.771 -8.693) 10.877 13.628 ( 6.293 1.771 -8.693) 10.877 14.899 ( -4.969 -1.089 3.531) 6.192 14.899 ( -4.969 1.089 3.531) 6.192 ======================= Grid point 337 (118/160) ======================= q-point: ( 0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -0.413 -3.987 0.394) 4.027 2.164 ( -0.413 3.987 0.394) 4.027 2.265 ( 2.060 -6.122 -2.756) 7.023 2.265 ( 2.060 6.122 -2.756) 7.023 2.810 ( -5.733 -6.161 -0.320) 8.422 2.810 ( -5.733 6.161 -0.320) 8.422 2.940 ( -4.518 -6.224 0.346) 7.698 2.940 ( -4.518 6.224 0.346) 7.698 4.414 ( 6.670 -2.238 -1.605) 7.216 4.414 ( 6.670 2.238 -1.605) 7.216 4.506 ( 5.690 -1.107 -0.617) 5.830 4.506 ( 5.690 1.107 -0.617) 5.830 5.110 ( 4.624 -3.768 -0.269) 5.971 5.110 ( 4.624 3.768 -0.269) 5.971 5.562 ( -4.484 -5.216 2.530) 7.329 5.562 ( -4.484 5.216 2.530) 7.329 6.302 ( -11.234 -8.156 -0.062) 13.882 6.302 ( -11.234 8.156 -0.062) 13.882 6.363 ( -10.643 -10.194 1.325) 14.797 6.363 ( -10.643 10.194 1.325) 14.797 7.053 ( 3.281 -7.066 0.509) 7.807 7.053 ( 3.281 7.066 0.509) 7.807 7.313 ( -2.202 -1.319 2.888) 3.864 7.313 ( -2.202 1.319 2.888) 3.864 9.363 ( 9.101 -3.714 -0.573) 9.847 9.363 ( 9.101 3.714 -0.573) 9.847 10.382 ( -10.529 -2.443 -1.326) 10.889 10.382 ( -10.529 2.443 -1.326) 10.889 11.049 ( 1.328 -9.301 3.656) 10.081 11.049 ( 1.328 9.301 3.656) 10.081 11.273 ( -0.952 -4.311 1.270) 4.594 11.273 ( -0.952 4.311 1.270) 4.594 13.799 ( 10.758 -2.922 -6.260) 12.785 13.799 ( 10.758 2.922 -6.259) 12.785 14.759 ( -9.153 -2.396 2.637) 9.822 14.759 ( -9.153 2.396 2.637) 9.822 ======================= Grid point 339 (119/160) ======================= q-point: ( 0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 1.531 -4.374 0.564) 4.669 2.173 ( 1.531 4.374 0.564) 4.669 2.276 ( -1.379 -3.919 -0.854) 4.241 2.276 ( -1.379 3.919 -0.854) 4.241 2.736 ( -1.070 -4.835 -1.715) 5.241 2.736 ( -1.070 4.835 -1.715) 5.241 2.847 ( -4.677 -6.164 -1.143) 7.822 2.847 ( -4.677 6.164 -1.143) 7.822 4.541 ( 5.705 -3.949 -0.672) 6.971 4.541 ( 5.705 3.949 -0.672) 6.971 4.601 ( 3.360 -1.768 -0.496) 3.829 4.601 ( 3.360 1.768 -0.496) 3.829 5.217 ( 6.245 -5.170 0.236) 8.111 5.217 ( 6.245 5.170 0.236) 8.111 5.465 ( -5.382 -6.564 0.958) 8.542 5.465 ( -5.382 6.564 0.958) 8.542 6.098 ( -8.125 -7.814 -0.906) 11.309 6.098 ( -8.125 7.814 -0.906) 11.309 6.149 ( -9.863 -9.152 0.536) 13.466 6.149 ( -9.863 9.152 0.536) 13.466 7.126 ( 3.878 -4.321 1.637) 6.032 7.126 ( 3.878 4.321 1.637) 6.032 7.262 ( -2.895 -1.708 3.246) 4.673 7.262 ( -2.895 1.708 3.246) 4.673 9.584 ( 13.052 -3.158 -0.149) 13.429 9.584 ( 13.052 3.158 -0.149) 13.429 10.141 ( -13.618 -1.353 -1.718) 13.793 10.141 ( -13.618 1.353 -1.718) 13.793 11.095 ( 3.185 -5.579 3.930) 7.531 11.095 ( 3.185 5.579 3.930) 7.531 11.235 ( -2.883 -2.661 2.020) 4.413 11.235 ( -2.883 2.661 2.020) 4.413 14.036 ( 12.960 -3.973 -3.454) 13.988 14.036 ( 12.960 3.973 -3.454) 13.988 14.548 ( -11.998 -3.723 1.149) 12.615 14.548 ( -11.998 3.723 1.149) 12.615 ======================= Grid point 341 (120/160) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.223 ( -2.874 -5.033 0.378) 5.808 2.223 ( 2.096 -4.936 0.378) 5.376 2.223 ( -2.096 4.936 0.378) 5.376 2.223 ( 2.874 5.033 0.378) 5.809 2.765 ( -3.081 -6.179 -2.088) 7.213 2.765 ( 2.606 -6.124 -2.088) 6.975 2.765 ( -2.606 6.124 -2.088) 6.975 2.765 ( 3.081 6.179 -2.088) 7.213 4.619 ( -1.638 -3.901 -0.234) 4.238 4.619 ( 1.505 -3.888 -0.234) 4.176 4.619 ( -1.505 3.888 -0.234) 4.176 4.619 ( 1.638 3.901 -0.234) 4.238 5.347 ( -5.836 -8.035 0.390) 9.938 5.347 ( 3.445 -7.682 0.390) 8.428 5.347 ( -3.445 7.682 0.390) 8.428 5.347 ( 5.836 8.035 0.390) 9.938 6.027 ( -1.184 -11.258 -0.784) 11.347 6.027 ( 1.094 -11.256 -0.784) 11.336 6.027 ( -1.094 11.256 -0.784) 11.336 6.027 ( 1.184 11.258 -0.784) 11.347 7.199 ( -2.353 -5.345 2.827) 6.488 7.199 ( 0.642 -5.224 2.827) 5.975 7.199 ( -0.642 5.224 2.827) 5.975 7.199 ( 2.353 5.345 2.827) 6.488 9.860 ( -14.241 -2.597 -0.752) 14.495 9.860 ( -13.510 1.292 -0.752) 13.592 9.860 ( 13.510 -1.292 -0.752) 13.592 9.860 ( 14.241 2.597 -0.752) 14.495 11.166 ( -3.807 -2.711 3.042) 5.577 11.166 ( 3.203 -2.507 3.042) 5.079 11.166 ( -3.203 2.508 3.042) 5.079 11.166 ( 3.807 2.711 3.042) 5.577 14.297 ( -10.961 -7.824 -0.908) 13.498 14.297 ( -3.901 -5.914 -0.908) 7.143 14.297 ( 3.901 5.914 -0.908) 7.143 14.297 ( 10.961 7.824 -0.908) 13.498 ======================= Grid point 405 (121/160) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 0.000 9.045) 9.045 0.879 ( 0.000 0.000 -5.821) 5.821 0.879 ( 0.000 0.000 14.644) 14.644 1.150 ( 0.000 0.000 -13.815) 13.815 1.771 ( 0.000 0.000 23.638) 23.638 2.158 ( 0.000 0.000 -17.588) 17.588 2.177 ( 0.000 0.000 1.822) 1.822 2.212 ( 0.000 0.000 -1.806) 1.806 2.961 ( 0.000 0.000 22.653) 22.653 3.379 ( 0.000 0.000 -21.169) 21.169 4.476 ( 0.000 0.000 6.494) 6.494 4.598 ( 0.000 0.000 -6.337) 6.337 4.971 ( 0.000 0.000 8.635) 8.635 5.128 ( 0.000 0.000 -7.691) 7.691 5.133 ( 0.000 0.000 4.730) 4.730 5.234 ( 0.000 0.000 -5.591) 5.591 6.469 ( 0.000 0.000 17.003) 17.003 6.771 ( 0.000 0.000 -14.850) 14.850 6.919 ( 0.000 0.000 3.010) 3.010 6.981 ( 0.000 0.000 -3.485) 3.485 7.186 ( 0.000 0.000 0.671) 0.671 7.207 ( 0.000 0.000 -1.565) 1.565 8.894 ( 0.000 0.000 5.845) 5.845 8.996 ( 0.000 0.000 -5.010) 5.010 10.067 ( 0.000 0.000 -0.089) 0.089 10.072 ( 0.000 0.000 -0.654) 0.654 10.536 ( 0.000 0.000 0.115) 0.115 10.549 ( 0.000 0.000 -1.191) 1.191 12.124 ( 0.000 0.000 6.819) 6.819 12.248 ( 0.000 0.000 -6.198) 6.198 12.418 ( 0.000 0.000 7.056) 7.056 12.544 ( 0.000 0.000 -6.171) 6.171 13.237 ( 0.000 0.000 0.473) 0.473 13.251 ( 0.000 0.000 -0.944) 0.944 15.403 ( 0.000 0.000 10.103) 10.103 15.593 ( 0.000 0.000 -9.861) 9.861 ======================= Grid point 406 (122/160) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 5.711 0.000 7.561) 9.476 0.919 ( 3.787 0.000 -5.248) 6.472 1.001 ( 10.858 0.000 11.700) 15.962 1.209 ( 5.845 0.000 -10.224) 11.777 1.773 ( 1.364 0.000 22.456) 22.497 2.150 ( -0.379 0.000 -17.573) 17.577 2.173 ( -0.422 0.000 1.705) 1.756 2.206 ( -0.627 0.000 -1.715) 1.826 2.932 ( -3.083 0.000 22.101) 22.315 3.344 ( -3.833 0.000 -20.968) 21.315 4.446 ( -2.629 0.000 5.549) 6.140 4.547 ( -4.242 0.000 -5.004) 6.560 5.037 ( 6.609 0.000 8.183) 10.518 5.185 ( 5.801 0.000 -7.309) 9.331 5.244 ( 9.608 0.000 3.242) 10.140 5.326 ( 8.828 0.000 -5.146) 10.218 6.509 ( 3.696 0.000 16.516) 16.924 6.784 ( 0.830 0.000 -12.224) 12.252 6.841 ( -7.696 0.000 2.622) 8.130 6.895 ( -8.519 0.000 -2.990) 9.028 7.209 ( 0.787 0.000 -0.183) 0.808 7.231 ( 4.717 0.000 -2.885) 5.530 8.841 ( -5.716 0.000 4.528) 7.292 8.919 ( -7.257 0.000 -3.970) 8.272 10.094 ( 2.564 0.000 -0.023) 2.564 10.099 ( 2.636 0.000 -0.677) 2.722 10.518 ( -1.659 0.000 1.002) 1.938 10.540 ( -1.010 0.000 -1.284) 1.634 12.121 ( -0.261 0.000 6.295) 6.301 12.236 ( -1.189 0.000 -5.752) 5.874 12.329 ( -7.806 0.000 5.637) 9.629 12.415 ( -10.086 0.000 -3.071) 10.543 13.241 ( 0.007 0.000 0.138) 0.138 13.258 ( 0.171 0.000 -1.377) 1.388 15.471 ( 5.596 0.000 8.987) 10.587 15.652 ( 4.797 0.000 -10.196) 11.268 ======================= Grid point 407 (123/160) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 7.049 0.000 4.794) 8.524 1.009 ( 4.808 0.000 -3.381) 5.877 1.228 ( 10.688 0.000 8.747) 13.811 1.364 ( 8.892 0.000 -5.847) 10.642 1.864 ( 8.231 0.000 17.848) 19.654 2.163 ( -0.570 0.000 1.336) 1.453 2.179 ( 4.522 0.000 -14.683) 15.363 2.189 ( -1.016 0.000 -1.419) 1.745 2.835 ( -6.901 0.000 20.214) 21.360 3.217 ( -9.132 0.000 -19.259) 21.315 4.391 ( -2.553 0.000 4.088) 4.820 4.460 ( -4.189 0.000 -2.886) 5.087 5.226 ( 12.369 0.000 6.853) 14.141 5.351 ( 10.822 0.000 -6.206) 12.475 5.450 ( 10.568 0.000 3.014) 10.989 5.535 ( 10.814 0.000 -6.085) 12.408 6.590 ( 3.808 0.000 13.229) 13.766 6.629 ( -13.451 0.000 1.631) 13.550 6.661 ( -14.710 0.000 -1.701) 14.808 6.784 ( -1.112 0.000 -7.284) 7.369 7.259 ( 5.011 0.000 4.040) 6.437 7.379 ( 9.720 0.000 -8.287) 12.773 8.660 ( -11.865 0.000 3.598) 12.399 8.746 ( -9.909 0.000 -5.619) 11.391 10.157 ( 3.547 0.000 0.073) 3.548 10.164 ( 3.532 0.000 -0.655) 3.593 10.482 ( -1.729 0.000 2.177) 2.780 10.511 ( -1.777 0.000 -0.700) 1.910 12.116 ( -0.192 0.000 4.807) 4.811 12.175 ( -6.452 0.000 4.180) 7.688 12.204 ( -1.929 0.000 -4.458) 4.858 12.238 ( -7.230 0.000 -1.953) 7.489 13.235 ( -0.574 0.000 0.046) 0.576 13.249 ( -0.797 0.000 -1.244) 1.478 15.575 ( 4.360 0.000 6.959) 8.212 15.728 ( 2.040 0.000 -9.358) 9.578 ======================= Grid point 408 (124/160) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 4.783 0.000 2.391) 5.348 1.089 ( 2.846 0.000 -1.416) 3.178 1.401 ( 6.925 0.000 6.865) 9.751 1.496 ( 3.423 0.000 -3.278) 4.739 2.088 ( 13.894 0.000 15.371) 20.720 2.154 ( -0.258 0.000 0.703) 0.748 2.169 ( -0.951 0.000 -0.875) 1.292 2.352 ( 12.183 0.000 -10.077) 15.811 2.663 ( -10.043 0.000 15.492) 18.463 2.988 ( -13.940 0.000 -16.475) 21.581 4.355 ( -0.961 0.000 2.864) 3.021 4.391 ( -2.708 0.000 -0.660) 2.788 5.509 ( 15.746 0.000 4.680) 16.427 5.596 ( 13.376 0.000 -4.461) 14.100 5.637 ( 7.875 0.000 2.342) 8.216 5.702 ( 5.457 0.000 -4.539) 7.098 6.330 ( -16.323 0.000 1.062) 16.358 6.347 ( -16.058 0.000 -0.654) 16.071 6.646 ( 2.084 0.000 6.250) 6.589 6.743 ( -2.737 0.000 -4.052) 4.890 7.415 ( 10.161 0.000 8.170) 13.039 7.566 ( 7.489 0.000 -6.472) 9.898 8.433 ( -9.412 0.000 0.727) 9.440 8.536 ( -10.812 0.000 -9.270) 14.242 10.220 ( 2.519 0.000 0.033) 2.519 10.224 ( 2.332 0.000 -0.474) 2.380 10.457 ( -0.659 0.000 2.488) 2.574 10.477 ( -1.500 0.000 0.594) 1.614 12.093 ( -2.085 0.000 2.320) 3.119 12.117 ( 0.377 0.000 2.592) 2.619 12.132 ( -3.746 0.000 -1.490) 4.032 12.165 ( -1.932 0.000 -2.450) 3.120 13.225 ( -0.256 0.000 0.042) 0.259 13.235 ( -0.600 0.000 -0.836) 1.029 15.640 ( 2.559 0.000 3.271) 4.153 15.729 ( -1.517 0.000 -6.175) 6.359 ======================= Grid point 409 (125/160) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.110 ( -0.894 0.000 0.436) 0.995 1.110 ( 0.894 0.000 0.436) 0.995 1.498 ( -2.740 0.000 2.046) 3.419 1.498 ( 2.740 0.000 2.046) 3.419 2.155 ( -0.405 0.000 -0.108) 0.419 2.155 ( 0.405 0.000 -0.108) 0.419 2.370 ( -13.164 0.000 15.991) 20.712 2.370 ( 13.164 0.000 15.991) 20.712 2.691 ( -14.929 0.000 -13.806) 20.334 2.691 ( 14.929 0.000 -13.806) 20.334 4.355 ( -0.940 0.000 1.371) 1.663 4.355 ( 0.940 0.000 1.371) 1.663 5.738 ( -1.872 0.000 -0.550) 1.951 5.738 ( 1.872 0.000 -0.550) 1.951 5.764 ( -3.853 0.000 0.050) 3.853 5.764 ( 3.853 0.000 0.050) 3.853 6.111 ( -1.883 0.000 0.271) 1.902 6.111 ( 1.883 0.000 0.271) 1.902 6.689 ( -2.536 0.000 -0.075) 2.537 6.689 ( 2.536 0.000 -0.075) 2.537 7.593 ( -5.541 0.000 4.293) 7.010 7.593 ( 5.541 0.000 4.293) 7.010 8.371 ( -4.008 0.000 -7.782) 8.754 8.371 ( 4.008 0.000 -7.782) 8.754 10.247 ( -0.136 0.000 -0.188) 0.232 10.247 ( 0.136 0.000 -0.188) 0.232 10.457 ( -0.554 0.000 1.852) 1.933 10.457 ( 0.554 0.000 1.852) 1.933 12.085 ( -1.077 0.000 0.134) 1.085 12.085 ( 1.077 0.000 0.134) 1.085 12.133 ( -1.260 0.000 0.026) 1.260 12.133 ( 1.260 0.000 0.026) 1.260 13.226 ( -0.295 0.000 -0.300) 0.420 13.226 ( 0.295 0.000 -0.300) 0.420 15.687 ( -2.364 0.000 -1.586) 2.846 15.687 ( 2.364 0.000 -1.586) 2.846 ======================= Grid point 414 (126/160) ======================= q-point: ( 0.00 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 0.000 0.116 10.835) 10.835 0.921 ( 0.000 10.253 4.641) 11.255 1.127 ( 0.000 20.223 -4.330) 20.682 1.132 ( 0.000 6.079 -7.383) 9.564 1.829 ( 0.000 6.414 22.581) 23.475 2.201 ( 0.000 4.309 -16.857) 17.398 2.352 ( 0.000 15.102 2.367) 15.286 2.398 ( 0.000 16.690 -2.481) 16.873 2.983 ( 0.000 2.969 20.660) 20.872 3.367 ( 0.000 -0.572 -19.697) 19.705 4.435 ( 0.000 -3.312 5.955) 6.814 4.549 ( 0.000 -4.303 -6.017) 7.397 5.077 ( 0.000 4.254 3.110) 5.269 5.163 ( 0.000 2.330 -5.464) 5.940 5.271 ( 0.000 15.506 4.437) 16.129 5.365 ( 0.000 12.072 -4.980) 13.059 6.514 ( 0.000 4.272 13.876) 14.518 6.736 ( 0.000 -5.140 -7.216) 8.859 6.883 ( 0.000 -9.158 -1.689) 9.312 6.887 ( 0.000 -1.206 -4.352) 4.516 7.162 ( 0.000 -2.441 0.298) 2.459 7.173 ( 0.000 -3.392 -0.975) 3.529 8.720 ( 0.000 -15.070 2.394) 15.259 8.741 ( 0.000 -21.605 0.460) 21.610 10.071 ( 0.000 -1.112 0.727) 1.328 10.094 ( 0.000 1.498 -1.644) 2.224 10.476 ( 0.000 -5.340 1.031) 5.438 10.508 ( 0.000 -3.821 -2.364) 4.493 12.007 ( 0.000 -6.780 4.156) 7.952 12.088 ( 0.000 -7.660 -4.573) 8.921 12.551 ( 0.000 5.572 11.388) 12.678 12.774 ( 0.000 8.639 -12.316) 15.044 13.256 ( 0.000 2.966 1.587) 3.364 13.300 ( 0.000 7.250 -3.311) 7.970 15.387 ( 0.000 -1.632 9.451) 9.591 15.558 ( 0.000 -3.487 -8.331) 9.031 ======================= Grid point 415 (127/160) ======================= q-point: ( 0.12 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 9.193 0.627 7.748) 12.039 0.984 ( 6.026 9.311 4.917) 12.132 1.155 ( 3.770 15.589 -2.552) 16.240 1.205 ( 5.985 9.362 -6.807) 13.031 1.830 ( 0.954 6.145 21.110) 22.007 2.183 ( -1.243 3.752 -15.852) 16.337 2.363 ( 0.951 16.030 1.835) 16.162 2.406 ( 0.550 17.610 -2.412) 17.783 2.952 ( -3.197 2.716 20.206) 20.637 3.329 ( -4.008 -0.871 -19.266) 19.698 4.420 ( -1.495 -2.430 5.187) 5.920 4.514 ( -3.168 -3.129 -4.594) 6.398 5.094 ( 1.972 3.473 2.712) 4.828 5.149 ( 2.271 -0.229 -2.422) 3.328 5.419 ( 9.835 13.125 -0.574) 16.410 5.445 ( 8.465 10.207 -2.938) 13.583 6.526 ( 0.425 0.412 13.040) 13.054 6.705 ( -4.243 -7.073 -4.604) 9.446 6.799 ( -6.780 -6.423 1.050) 9.399 6.870 ( -1.759 1.390 -6.349) 6.733 7.194 ( 2.112 -2.061 -0.159) 2.955 7.214 ( 5.275 -1.994 -2.714) 6.258 8.658 ( -5.712 -16.955 4.235) 18.386 8.718 ( -3.010 -16.549 -2.284) 16.975 10.082 ( 1.089 -2.237 0.252) 2.501 10.095 ( 0.236 -0.121 -1.145) 1.175 10.464 ( -1.295 -4.974 0.970) 5.230 10.489 ( -1.699 -4.509 -1.699) 5.109 11.999 ( -0.517 -6.502 5.363) 8.444 12.099 ( 1.053 -5.509 -5.477) 7.839 12.472 ( -7.048 6.458 10.537) 14.227 12.671 ( -8.684 11.089 -10.278) 17.436 13.250 ( -0.516 2.262 1.296) 2.657 13.292 ( -0.916 5.276 -3.121) 6.198 15.438 ( 4.253 -3.223 8.727) 10.229 15.604 ( 3.700 -4.693 -8.720) 10.572 ======================= Grid point 416 (128/160) ======================= q-point: ( 0.25 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 8.091 12.492 4.021) 15.417 1.139 ( 8.441 1.712 3.370) 9.249 1.262 ( 6.414 12.924 1.251) 14.482 1.337 ( 6.424 4.422 -5.121) 9.330 1.900 ( 6.525 4.238 17.010) 18.705 2.187 ( 2.505 2.662 -12.033) 12.576 2.388 ( 1.617 17.783 0.540) 17.864 2.415 ( 0.630 18.740 -1.873) 18.844 2.856 ( -6.482 3.035 18.302) 19.652 3.205 ( -8.624 -0.692 -17.747) 19.744 4.383 ( -1.996 -0.941 3.699) 4.306 4.443 ( -3.628 -1.686 -2.425) 4.678 5.187 ( 7.763 -1.977 3.963) 8.938 5.259 ( 8.208 -4.516 -3.483) 9.995 5.602 ( 9.806 9.102 1.426) 13.455 5.660 ( 10.790 9.151 -4.979) 14.998 6.464 ( -8.089 -9.325 5.426) 13.484 6.531 ( -12.771 -9.839 -2.377) 16.296 6.704 ( -1.751 4.311 7.625) 8.933 6.832 ( -2.326 2.980 -5.237) 6.459 7.262 ( 5.309 -0.313 3.359) 6.290 7.365 ( 9.262 -1.760 -7.072) 11.786 8.509 ( -8.894 -13.420 4.924) 16.836 8.616 ( -7.223 -12.004 -6.331) 15.374 10.106 ( 0.951 -3.983 -0.281) 4.104 10.110 ( 1.567 -4.704 -0.609) 4.995 10.429 ( -1.933 -4.696 1.426) 5.274 10.452 ( -1.942 -5.469 -0.832) 5.862 11.998 ( 0.615 -4.664 7.205) 8.605 12.128 ( 1.847 -1.576 -6.822) 7.241 12.320 ( -7.472 6.947 9.463) 13.915 12.498 ( -8.099 12.267 -8.999) 17.235 13.237 ( -0.732 1.522 0.787) 1.863 13.267 ( -1.450 3.159 -2.160) 4.093 15.518 ( 3.413 -5.499 6.924) 9.478 15.660 ( 1.300 -6.559 -8.108) 10.510 ======================= Grid point 417 (129/160) ======================= q-point: ( 0.38 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 5.797 16.349 2.195) 17.485 1.276 ( 5.393 9.672 1.087) 11.127 1.367 ( 3.736 5.362 2.902) 7.151 1.425 ( 2.015 -1.943 -2.592) 3.815 2.071 ( 9.798 1.537 14.027) 17.180 2.259 ( 2.423 4.348 -2.986) 5.804 2.423 ( 2.529 19.428 1.179) 19.627 2.483 ( 8.015 11.891 -6.788) 15.865 2.701 ( -8.974 6.687 14.254) 18.122 2.993 ( -12.737 1.217 -15.154) 19.833 4.351 ( -1.023 -0.436 2.414) 2.658 4.381 ( -2.525 -0.993 -0.564) 2.771 5.381 ( 10.828 -7.174 3.363) 13.417 5.440 ( 9.025 -7.416 -2.855) 12.025 5.798 ( 9.892 5.721 1.069) 11.477 5.837 ( 7.249 5.943 -3.194) 9.903 6.235 ( -13.947 -7.162 1.314) 15.734 6.258 ( -13.785 -6.320 -1.078) 15.203 6.695 ( 0.308 3.817 5.488) 6.691 6.776 ( -3.186 2.523 -3.187) 5.164 7.405 ( 8.689 -1.161 7.167) 11.323 7.533 ( 6.253 -3.545 -4.853) 8.673 8.343 ( -6.560 -8.009 1.169) 10.419 8.450 ( -8.926 -8.026 -9.170) 15.106 10.129 ( 1.220 -7.113 0.059) 7.217 10.138 ( 1.083 -7.100 -0.863) 7.234 10.399 ( -0.945 -5.278 1.694) 5.623 10.416 ( -1.568 -5.651 -0.049) 5.865 12.027 ( 2.276 -2.080 8.057) 8.626 12.157 ( -1.050 -0.335 -1.352) 1.744 12.210 ( -1.462 8.246 2.433) 8.721 12.361 ( -5.935 11.004 -8.640) 15.197 13.227 ( -0.241 1.333 0.331) 1.395 13.242 ( -0.969 1.998 -1.200) 2.524 15.570 ( 2.125 -6.778 3.417) 7.882 15.653 ( -1.651 -7.351 -5.338) 9.233 ======================= Grid point 418 (130/160) ======================= q-point: (-0.50 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -0.650 19.327 0.544) 19.345 1.329 ( 0.650 19.327 0.544) 19.345 1.419 ( -1.941 -4.830 1.226) 5.348 1.419 ( 1.941 -4.830 1.226) 5.348 2.230 ( -5.218 3.843 8.113) 10.383 2.230 ( 5.218 3.843 8.113) 10.383 2.522 ( -7.688 12.290 6.115) 15.734 2.522 ( 7.688 12.290 6.115) 15.734 2.722 ( -14.026 6.122 -11.710) 19.270 2.722 ( 14.026 6.122 -11.710) 19.270 4.348 ( -0.777 -0.661 1.075) 1.482 4.348 ( 0.777 -0.661 1.075) 1.482 5.533 ( -1.944 -8.733 0.097) 8.947 5.533 ( 1.944 -8.733 0.097) 8.947 5.976 ( -5.442 -9.792 0.763) 11.229 5.976 ( 5.442 -9.792 0.763) 11.229 6.013 ( -6.863 9.542 -1.079) 11.803 6.013 ( 6.863 9.542 -1.079) 11.803 6.719 ( -2.252 2.503 0.228) 3.375 6.719 ( 2.252 2.503 0.228) 3.375 7.553 ( -4.520 -3.942 4.210) 7.328 7.553 ( 4.520 -3.942 4.210) 7.328 8.310 ( -3.745 -5.534 -7.053) 9.716 8.310 ( 3.745 -5.534 -7.053) 9.716 10.146 ( -0.304 -8.090 -0.351) 8.104 10.146 ( 0.304 -8.090 -0.351) 8.104 10.395 ( -0.503 -5.669 0.983) 5.775 10.395 ( 0.503 -5.669 0.983) 5.775 12.087 ( -3.767 0.160 7.741) 8.611 12.087 ( 3.767 0.160 7.741) 8.611 12.261 ( -4.238 8.844 -7.588) 12.400 12.261 ( 4.238 8.844 -7.588) 12.400 13.229 ( -0.420 1.446 -0.337) 1.543 13.229 ( 0.420 1.446 -0.337) 1.543 15.612 ( -2.200 -7.309 -1.137) 7.717 15.612 ( 2.200 -7.309 -1.137) 7.717 ======================= Grid point 423 (131/160) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.961 ( 0.000 12.340 6.976) 14.175 1.064 ( 0.000 9.987 -2.412) 10.274 1.452 ( 0.000 18.126 5.177) 18.851 1.575 ( 0.000 22.411 -6.444) 23.320 2.033 ( 0.000 13.718 16.851) 21.729 2.323 ( 0.000 7.870 -13.523) 15.646 2.665 ( 0.000 13.741 6.624) 15.254 2.782 ( 0.000 19.273 -5.938) 20.167 3.134 ( 0.000 13.574 13.162) 18.907 3.394 ( 0.000 4.549 -14.002) 14.723 4.351 ( 0.000 -5.184 4.453) 6.834 4.437 ( 0.000 -6.931 -4.606) 8.322 5.148 ( 0.000 3.710 2.110) 4.268 5.218 ( 0.000 3.157 -4.977) 5.894 5.577 ( 0.000 12.049 1.286) 12.117 5.613 ( 0.000 10.657 -2.136) 10.869 6.543 ( 0.000 -12.923 0.045) 12.923 6.551 ( 0.000 -7.827 -0.719) 7.860 6.728 ( 0.000 1.463 9.816) 9.924 6.919 ( 0.000 3.914 -9.832) 10.582 7.071 ( 0.000 -6.710 0.735) 6.751 7.089 ( 0.000 -4.848 -0.825) 4.917 8.280 ( 0.000 -22.590 7.623) 23.841 8.394 ( 0.000 -16.048 -4.532) 16.676 9.998 ( 0.000 -6.287 4.363) 7.653 10.091 ( 0.000 -2.267 -4.905) 5.403 10.365 ( 0.000 -4.843 2.328) 5.373 10.424 ( 0.000 -3.879 -4.308) 5.797 11.888 ( 0.000 -5.996 3.651) 7.020 11.971 ( 0.000 -5.290 -5.409) 7.566 12.507 ( 0.000 -9.406 12.294) 15.479 12.733 ( 0.000 -9.967 -11.182) 14.979 13.369 ( 0.000 7.130 5.046) 8.735 13.511 ( 0.000 10.021 -10.595) 14.583 15.337 ( 0.000 -3.393 7.692) 8.407 15.460 ( 0.000 -6.065 -4.913) 7.805 ======================= Grid point 424 (132/160) ======================= q-point: ( 0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 6.525 9.805 5.552) 13.020 1.109 ( 4.344 8.127 -1.459) 9.330 1.491 ( 3.949 17.581 5.313) 18.786 1.611 ( 3.441 21.728 -6.211) 22.859 2.026 ( -0.261 13.285 15.545) 20.450 2.295 ( -2.238 7.491 -12.416) 14.672 2.684 ( 1.474 13.125 6.746) 14.831 2.798 ( 1.174 19.011 -5.320) 19.776 3.104 ( -2.652 14.440 11.967) 18.941 3.350 ( -4.243 4.554 -13.596) 14.953 4.351 ( -0.011 -4.415 3.958) 5.930 4.424 ( -1.233 -5.860 -3.730) 7.055 5.147 ( 0.402 2.486 0.781) 2.637 5.184 ( -2.031 3.095 -2.891) 4.697 5.639 ( 3.432 7.454 0.419) 8.217 5.661 ( 6.240 8.764 -2.096) 10.961 6.428 ( -7.622 -9.882 4.842) 13.386 6.503 ( -6.837 -12.281 -3.187) 14.413 6.779 ( 2.939 4.680 7.216) 9.088 6.918 ( -0.727 3.125 -6.671) 7.403 7.114 ( 4.119 -5.824 0.863) 7.186 7.146 ( 6.054 -4.556 -2.859) 8.099 8.259 ( -2.040 -20.637 7.447) 22.034 8.380 ( -1.494 -16.223 -5.275) 17.124 9.994 ( -0.283 -6.546 3.595) 7.474 10.073 ( -1.663 -2.573 -4.348) 5.319 10.355 ( -1.070 -4.991 1.730) 5.390 10.398 ( -2.457 -3.821 -3.200) 5.557 11.894 ( 0.837 -5.161 5.171) 7.354 12.003 ( 2.923 -5.252 -6.608) 8.933 12.453 ( -5.032 -8.317 12.130) 15.544 12.679 ( -5.035 -8.533 -11.318) 15.042 13.361 ( -0.792 7.719 4.258) 8.851 13.480 ( -2.710 10.645 -8.911) 14.144 15.349 ( 1.063 -5.451 7.752) 9.536 15.477 ( 1.168 -7.665 -5.506) 9.510 ======================= Grid point 425 (133/160) ======================= q-point: ( 0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 7.491 5.686 3.602) 10.071 1.224 ( 6.999 4.375 -0.565) 8.274 1.597 ( 6.315 17.642 4.796) 19.342 1.693 ( 4.377 21.053 -4.675) 22.005 2.043 ( 2.458 10.170 13.238) 16.873 2.270 ( 0.484 5.724 -9.924) 11.467 2.687 ( -2.337 8.224 7.891) 11.635 2.800 ( -1.375 16.392 -3.647) 16.849 3.061 ( -0.906 19.668 6.787) 20.826 3.243 ( -6.041 7.197 -11.613) 14.938 4.347 ( -0.445 -2.721 2.691) 3.853 4.391 ( -2.055 -3.679 -1.847) 4.601 5.172 ( 2.355 0.308 0.550) 2.438 5.197 ( 4.087 -1.813 -1.930) 4.869 5.716 ( 3.805 0.748 2.577) 4.656 5.782 ( 4.486 0.901 -4.539) 6.445 6.268 ( -7.944 -8.713 4.858) 12.752 6.337 ( -8.656 -7.671 -2.614) 11.857 6.797 ( -0.886 4.256 5.247) 6.813 6.883 ( -2.653 2.088 -3.670) 4.987 7.226 ( 6.815 -3.112 3.014) 8.076 7.297 ( 8.078 -4.873 -4.197) 10.325 8.207 ( -2.929 -15.561 5.982) 16.926 8.332 ( -3.379 -14.991 -6.829) 16.816 9.990 ( -0.062 -6.850 1.857) 7.098 10.036 ( -1.805 -3.291 -2.932) 4.763 10.325 ( -1.885 -5.327 0.612) 5.684 10.339 ( -3.147 -4.343 -1.075) 5.470 11.924 ( 2.258 -4.100 7.582) 8.910 12.070 ( 3.532 -4.972 -7.744) 9.857 12.339 ( -5.696 -6.051 11.053) 13.828 12.560 ( -6.475 -6.148 -11.610) 14.646 13.344 ( -0.783 8.761 2.749) 9.216 13.422 ( -2.907 11.242 -5.763) 12.963 15.370 ( 0.925 -8.887 6.686) 11.160 15.486 ( -0.556 -10.305 -5.507) 11.698 ======================= Grid point 426 (134/160) ======================= q-point: ( 0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 5.379 3.009 2.957) 6.836 1.349 ( 4.540 1.763 -1.464) 5.085 1.711 ( 4.572 20.438 3.377) 21.214 1.763 ( 2.256 22.255 -2.004) 22.459 2.132 ( 6.621 4.248 12.691) 14.932 2.323 ( 3.698 2.927 -5.084) 6.934 2.589 ( -5.627 1.027 6.506) 8.663 2.737 ( -5.405 7.155 -6.296) 10.956 3.068 ( 1.108 25.480 1.916) 25.576 3.141 ( -3.729 17.377 -6.148) 18.805 4.335 ( -0.674 -1.350 1.330) 2.011 4.351 ( -1.713 -2.044 -0.421) 2.701 5.268 ( 7.044 -4.418 2.390) 8.651 5.316 ( 7.195 -5.300 -2.648) 9.321 5.732 ( -3.387 -11.869 2.222) 12.541 5.781 ( -4.803 -10.727 -3.012) 12.133 6.168 ( -1.218 0.605 2.897) 3.200 6.218 ( -2.767 2.101 -2.416) 4.231 6.768 ( -1.328 2.939 3.398) 4.685 6.821 ( -3.379 1.676 -2.138) 4.336 7.358 ( 6.049 -3.597 4.669) 8.445 7.423 ( 4.045 -7.088 -1.420) 8.284 8.163 ( -1.102 -9.415 1.528) 9.602 8.252 ( -4.411 -11.018 -7.198) 13.881 9.993 ( 0.332 -6.364 0.393) 6.385 10.011 ( -0.685 -4.311 -1.609) 4.652 10.284 ( -1.939 -5.494 0.395) 5.840 10.289 ( -1.854 -6.111 -0.114) 6.387 11.980 ( 3.372 -3.824 8.860) 10.222 12.111 ( -0.648 -4.956 -0.977) 5.093 12.270 ( -0.002 -4.068 2.311) 4.679 12.437 ( -5.938 -4.638 -10.995) 13.328 13.335 ( -0.061 9.628 1.156) 9.698 13.373 ( -2.018 11.021 -2.964) 11.589 15.387 ( 1.000 -11.016 3.712) 11.668 15.457 ( -2.106 -11.662 -3.626) 12.393 ======================= Grid point 427 (135/160) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -1.451 1.548 0.486) 2.176 1.379 ( 1.451 1.548 0.486) 2.176 1.770 ( -1.478 22.590 0.868) 22.655 1.770 ( 1.478 22.590 0.868) 22.655 2.286 ( -7.575 2.118 10.725) 13.300 2.286 ( 7.575 2.118 10.725) 13.300 2.602 ( -6.737 -1.031 -7.680) 10.268 2.602 ( 6.737 -1.031 -7.680) 10.268 3.094 ( -1.571 25.731 -0.933) 25.796 3.094 ( 1.571 25.731 -0.933) 25.796 4.330 ( -0.377 -1.212 0.392) 1.328 4.330 ( 0.377 -1.212 0.392) 1.328 5.394 ( -2.638 -5.538 0.764) 6.182 5.394 ( 2.638 -5.538 0.764) 6.182 5.674 ( -2.290 -17.253 -0.770) 17.422 5.674 ( 2.290 -17.253 -0.770) 17.422 6.187 ( -1.611 5.541 0.042) 5.771 6.187 ( 1.611 5.541 0.042) 5.771 6.768 ( -1.554 1.995 0.311) 2.548 6.768 ( 1.554 1.995 0.311) 2.548 7.443 ( -2.030 -6.854 3.065) 7.778 7.443 ( 2.030 -6.854 3.065) 7.778 8.178 ( -2.620 -7.386 -4.321) 8.949 8.178 ( 2.620 -7.386 -4.321) 8.949 10.002 ( -0.458 -5.344 -0.619) 5.399 10.002 ( 0.458 -5.344 -0.619) 5.399 10.266 ( -0.243 -6.400 0.258) 6.410 10.266 ( 0.243 -6.400 0.258) 6.410 12.054 ( -3.907 -4.230 7.720) 9.631 12.054 ( 3.907 -4.230 7.720) 9.631 12.330 ( -4.816 -3.936 -8.123) 10.231 12.330 ( 4.816 -3.936 -8.123) 10.231 13.343 ( -0.958 10.354 -0.691) 10.421 13.343 ( 0.958 10.354 -0.691) 10.421 15.415 ( -1.870 -11.794 -0.211) 11.943 15.415 ( 1.870 -11.794 -0.211) 11.943 ======================= Grid point 432 (136/160) ======================= q-point: ( 0.00 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 0.000 17.623 4.624) 18.219 1.334 ( 0.000 15.894 0.062) 15.894 1.748 ( 0.000 11.560 8.307) 14.235 1.951 ( 0.000 14.245 -10.922) 17.950 2.324 ( 0.000 13.552 10.606) 17.209 2.505 ( 0.000 9.711 -8.392) 12.835 2.899 ( 0.000 11.478 9.469) 14.880 3.085 ( 0.000 11.004 -10.370) 15.120 3.490 ( 0.000 19.269 5.497) 20.038 3.590 ( 0.000 14.075 -4.895) 14.902 4.245 ( 0.000 -4.300 2.525) 4.986 4.290 ( 0.000 -6.604 -2.282) 6.987 5.221 ( 0.000 2.749 1.201) 3.000 5.277 ( 0.000 1.888 -4.521) 4.899 5.719 ( 0.000 2.807 1.224) 3.062 5.747 ( 0.000 3.059 -1.660) 3.481 6.275 ( 0.000 -12.845 1.290) 12.910 6.305 ( 0.000 -12.179 -1.671) 12.293 6.848 ( 0.000 4.692 7.411) 8.771 6.920 ( 0.000 -7.870 1.633) 8.038 6.992 ( 0.000 -2.639 -0.890) 2.785 7.026 ( 0.000 6.325 -6.406) 9.002 7.876 ( 0.000 -17.737 12.546) 21.725 8.102 ( 0.000 -13.421 -11.111) 17.423 9.834 ( 0.000 -9.727 7.916) 12.541 9.995 ( 0.000 -7.362 -8.214) 11.031 10.303 ( 0.000 -1.157 2.934) 3.154 10.370 ( 0.000 -1.399 -4.817) 5.016 11.747 ( 0.000 -8.168 4.731) 9.440 11.849 ( 0.000 -7.123 -6.389) 9.568 12.231 ( 0.000 -17.209 12.390) 21.206 12.456 ( 0.000 -16.962 -10.896) 20.160 13.487 ( 0.000 4.040 5.051) 6.468 13.632 ( 0.000 2.184 -10.821) 11.039 15.254 ( 0.000 -4.773 5.512) 7.291 15.328 ( 0.000 -6.932 -1.858) 7.177 ======================= Grid point 433 (137/160) ======================= q-point: ( 0.12 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 2.629 15.970 3.573) 16.575 1.344 ( 1.124 14.625 0.264) 14.670 1.776 ( 2.955 11.052 8.441) 14.218 1.972 ( 2.215 13.536 -10.458) 17.249 2.307 ( -1.622 12.875 9.912) 16.330 2.474 ( -2.713 9.768 -7.662) 12.707 2.891 ( -1.549 9.788 9.568) 13.775 3.073 ( -1.949 8.833 -9.687) 13.254 3.485 ( 0.193 20.565 3.915) 20.936 3.562 ( -2.072 15.312 -3.983) 15.957 4.262 ( 1.431 -3.431 1.956) 4.200 4.297 ( 0.555 -5.780 -1.843) 6.092 5.201 ( -1.837 2.249 0.716) 2.991 5.244 ( -2.897 1.931 -3.674) 5.062 5.697 ( -2.729 -1.245 1.213) 3.236 5.731 ( -0.968 -1.223 -2.388) 2.852 6.227 ( -3.836 -8.790 3.483) 10.204 6.283 ( -2.116 -8.817 -2.207) 9.332 6.856 ( -0.339 -0.404 5.854) 5.878 6.947 ( -1.297 -3.404 -3.418) 4.995 7.022 ( 7.099 0.733 3.249) 7.842 7.091 ( 5.604 1.583 -4.309) 7.245 7.878 ( 0.408 -17.330 11.146) 20.608 8.083 ( -1.782 -13.914 -10.214) 17.352 9.834 ( 0.116 -9.199 7.296) 11.742 9.981 ( -1.217 -6.739 -7.559) 10.200 10.290 ( -1.353 -1.301 2.486) 3.115 10.348 ( -2.224 -1.215 -4.211) 4.915 11.764 ( 1.585 -8.068 5.168) 9.711 11.872 ( 2.160 -7.808 -6.632) 10.470 12.193 ( -3.469 -16.530 12.052) 20.749 12.417 ( -3.699 -16.569 -11.033) 20.247 13.499 ( 1.117 5.295 4.664) 7.144 13.632 ( 0.011 4.151 -9.957) 10.788 15.230 ( -2.153 -6.234 6.117) 8.995 15.315 ( -1.374 -8.157 -2.656) 8.688 ======================= Grid point 434 (138/160) ======================= q-point: ( 0.25 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 3.864 12.783 1.603) 13.450 1.384 ( 3.327 11.554 0.473) 12.033 1.869 ( 6.519 9.781 8.279) 14.377 2.040 ( 4.713 12.514 -8.627) 15.913 2.267 ( -2.305 10.393 9.098) 14.004 2.419 ( -2.405 8.599 -6.895) 11.281 2.806 ( -7.377 6.278 9.175) 13.342 2.976 ( -8.153 3.803 -8.519) 12.390 3.520 ( 3.206 23.308 0.935) 23.546 3.546 ( 0.952 19.563 -1.761) 19.665 4.288 ( 1.018 -2.190 0.915) 2.582 4.304 ( 0.105 -4.199 -0.942) 4.305 5.173 ( -0.232 -0.625 -0.410) 0.783 5.189 ( -1.872 0.182 -2.096) 2.816 5.618 ( -5.646 -8.207 2.896) 10.374 5.683 ( -4.847 -8.482 -4.047) 10.574 6.164 ( -1.424 -2.643 5.349) 6.134 6.248 ( -0.735 -2.593 -3.327) 4.281 6.827 ( -2.300 -1.982 4.425) 5.366 6.899 ( -3.116 -1.045 -3.078) 4.503 7.181 ( 7.247 -0.814 2.125) 7.596 7.209 ( 5.384 -2.172 -1.134) 5.915 7.904 ( 2.379 -14.832 7.112) 16.620 8.046 ( -1.604 -13.946 -7.580) 15.953 9.846 ( 1.282 -7.487 5.724) 9.511 9.959 ( -0.697 -4.815 -5.995) 7.721 10.251 ( -2.582 -1.809 1.305) 3.413 10.285 ( -4.060 -1.317 -2.502) 4.948 11.803 ( 2.246 -8.299 6.133) 10.561 11.923 ( 2.595 -9.494 -6.612) 11.857 12.116 ( -3.763 -14.969 10.302) 18.557 12.325 ( -5.242 -15.872 -10.942) 19.978 13.525 ( 1.448 8.148 3.695) 9.063 13.629 ( -0.402 8.327 -7.718) 11.361 15.183 ( -2.267 -9.420 6.095) 11.447 15.273 ( -2.800 -10.509 -3.390) 11.392 ======================= Grid point 435 (139/160) ======================= q-point: ( 0.38 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 3.367 10.136 1.369) 10.768 1.461 ( 3.272 9.612 -1.028) 10.206 2.021 ( 8.139 9.380 7.947) 14.745 2.152 ( 5.404 14.973 -5.250) 16.762 2.228 ( -0.426 4.793 9.819) 10.935 2.397 ( 0.433 4.536 -7.652) 8.906 2.622 ( -9.997 3.814 7.292) 12.948 2.773 ( -11.596 -0.193 -8.127) 14.162 3.585 ( 2.628 24.497 0.090) 24.638 3.588 ( 2.649 24.090 -0.452) 24.240 4.298 ( 0.056 -1.825 0.129) 1.830 4.301 ( -0.264 -2.674 -0.319) 2.706 5.191 ( 2.706 -3.757 0.434) 4.650 5.217 ( 4.630 -5.341 -2.169) 7.394 5.468 ( -9.057 -11.099 3.270) 14.694 5.537 ( -9.271 -11.073 -3.997) 14.984 6.185 ( 2.972 0.030 4.687) 5.550 6.255 ( 0.681 0.527 -2.357) 2.509 6.782 ( -1.680 -2.076 2.597) 3.725 6.832 ( -3.433 -0.907 -2.488) 4.336 7.276 ( 2.415 -6.038 1.617) 6.701 7.284 ( 2.270 -3.980 0.573) 4.617 7.965 ( 3.304 -10.716 2.551) 11.501 8.027 ( -0.385 -11.489 -3.896) 12.138 9.887 ( 2.805 -4.459 3.576) 6.367 9.956 ( 0.151 -1.947 -3.764) 4.241 10.191 ( -3.226 -3.313 0.290) 4.633 10.203 ( -3.697 -2.715 -0.959) 4.686 11.850 ( 2.577 -9.295 6.700) 11.744 11.949 ( -0.730 -11.059 -0.768) 11.109 12.076 ( 0.655 -13.658 1.987) 13.818 12.222 ( -5.048 -15.216 -9.686) 18.731 13.555 ( 1.538 10.918 1.964) 11.199 13.614 ( -1.172 11.598 -4.487) 12.491 15.153 ( -0.547 -11.988 3.909) 12.622 15.213 ( -3.004 -12.238 -2.429) 12.833 ======================= Grid point 436 (140/160) ======================= q-point: (-0.50 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -0.865 9.262 -0.187) 9.304 1.487 ( 0.865 9.262 -0.187) 9.304 2.144 ( -3.857 11.747 6.244) 13.851 2.144 ( 3.857 11.747 6.244) 13.851 2.343 ( -8.318 5.443 1.928) 10.126 2.343 ( 8.319 5.443 1.928) 10.126 2.566 ( -7.343 -1.555 -5.847) 9.514 2.566 ( 7.343 -1.555 -5.847) 9.514 3.615 ( -0.192 25.330 0.000) 25.330 3.615 ( 0.192 25.330 0.000) 25.330 4.298 ( -0.078 -1.909 -0.178) 1.919 4.298 ( 0.078 -1.909 -0.178) 1.919 5.295 ( -7.476 -7.299 2.499) 10.743 5.295 ( 7.476 -7.299 2.499) 10.743 5.353 ( -8.600 -10.634 -3.499) 14.117 5.353 ( 8.600 -10.634 -3.499) 14.117 6.244 ( -2.120 0.627 1.582) 2.718 6.244 ( 2.120 0.627 1.582) 2.718 6.779 ( -1.513 -1.496 -0.483) 2.182 6.779 ( 1.513 -1.496 -0.483) 2.182 7.300 ( -0.357 -6.756 1.092) 6.853 7.300 ( 0.357 -6.756 1.092) 6.853 8.014 ( -1.438 -9.255 -0.671) 9.390 8.014 ( 1.438 -9.255 -0.671) 9.390 9.942 ( -2.102 -1.098 0.186) 2.378 9.942 ( 2.102 -1.098 0.186) 2.378 10.157 ( -0.507 -4.534 -0.473) 4.587 10.157 ( 0.507 -4.534 -0.473) 4.587 11.905 ( -2.931 -10.554 5.536) 12.273 11.905 ( 2.931 -10.554 5.536) 12.273 12.131 ( -4.084 -14.285 -6.551) 16.237 12.131 ( 4.084 -14.285 -6.551) 16.237 13.586 ( -1.585 12.365 -0.904) 12.498 13.586 ( 1.585 12.365 -0.904) 12.498 15.165 ( -1.675 -12.828 0.410) 12.944 15.165 ( 1.675 -12.828 0.410) 12.944 ======================= Grid point 441 (141/160) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.625 ( 0.000 16.955 3.940) 17.407 1.664 ( 0.000 16.627 1.930) 16.739 1.927 ( 0.000 6.743 6.381) 9.283 2.139 ( 0.000 5.331 -13.308) 14.336 2.534 ( 0.000 8.033 8.621) 11.784 2.674 ( 0.000 6.727 -5.960) 8.987 3.124 ( 0.000 9.133 7.319) 11.704 3.259 ( 0.000 5.922 -7.189) 9.314 3.795 ( 0.000 10.506 1.415) 10.601 3.828 ( 0.000 8.168 -2.047) 8.421 4.258 ( 0.000 6.738 1.371) 6.876 4.264 ( 0.000 5.639 0.617) 5.673 5.190 ( 0.000 -7.038 0.577) 7.061 5.230 ( 0.000 -7.641 -3.707) 8.493 5.771 ( 0.000 4.979 1.352) 5.159 5.806 ( 0.000 4.937 -2.421) 5.498 6.059 ( 0.000 -8.522 3.050) 9.051 6.114 ( 0.000 -7.163 -2.644) 7.636 6.779 ( 0.000 -5.773 2.532) 6.304 6.811 ( 0.000 -4.335 -0.557) 4.371 7.071 ( 0.000 6.690 5.845) 8.884 7.157 ( 0.000 6.503 -3.779) 7.521 7.569 ( 0.000 -13.315 13.735) 19.130 7.839 ( 0.000 -13.418 -14.178) 19.521 9.623 ( 0.000 -11.144 9.054) 14.358 9.803 ( 0.000 -11.697 -9.161) 14.858 10.325 ( 0.000 3.355 1.744) 3.782 10.368 ( 0.000 1.230 -3.463) 3.675 11.570 ( 0.000 -9.237 6.100) 11.069 11.687 ( 0.000 -9.074 -6.544) 11.187 11.855 ( 0.000 -19.754 12.538) 23.397 12.083 ( 0.000 -19.796 -10.940) 22.618 13.525 ( 0.000 -0.058 2.182) 2.183 13.617 ( 0.000 -3.021 -8.050) 8.598 15.156 ( 0.000 -4.844 3.757) 6.130 15.196 ( 0.000 -6.045 -0.235) 6.049 ======================= Grid point 442 (142/160) ======================= q-point: ( 0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.467 16.027 3.228) 16.356 1.661 ( -0.228 16.475 1.111) 16.514 1.949 ( 2.311 6.707 7.014) 9.977 2.154 ( 1.562 5.516 -12.601) 13.844 2.504 ( -2.922 7.506 8.292) 11.560 2.639 ( -3.343 6.246 -5.751) 9.125 3.082 ( -4.582 7.530 6.840) 11.158 3.205 ( -5.733 4.069 -6.375) 9.490 3.812 ( 1.897 10.979 0.867) 11.175 3.836 ( 1.753 11.044 -1.610) 11.298 4.270 ( 1.191 5.537 2.022) 6.014 4.295 ( 2.253 6.820 -0.510) 7.200 5.178 ( -1.417 -5.908 -0.339) 6.085 5.198 ( -3.057 -7.178 -2.380) 8.157 5.691 ( -6.814 3.128 -0.214) 7.501 5.704 ( -7.609 1.217 -1.599) 7.870 6.085 ( 1.353 -5.579 3.543) 6.746 6.144 ( 1.714 -5.706 -2.682) 6.533 6.784 ( -0.092 -4.174 4.220) 5.936 6.842 ( 1.852 -5.039 -1.750) 5.646 7.106 ( 3.407 4.806 5.241) 7.885 7.179 ( 2.252 5.421 -2.900) 6.547 7.570 ( 0.731 -13.507 11.770) 17.931 7.806 ( -2.814 -14.125 -12.576) 19.120 9.638 ( 1.589 -10.302 8.650) 13.546 9.806 ( 0.536 -10.669 -8.513) 13.660 10.305 ( -2.006 2.753 1.477) 3.713 10.346 ( -2.266 0.983 -3.404) 4.206 11.582 ( 1.055 -9.691 6.268) 11.589 11.697 ( 0.928 -9.618 -6.264) 11.515 11.831 ( -2.186 -18.977 11.601) 22.350 12.050 ( -3.197 -19.559 -10.759) 22.551 13.561 ( 3.407 1.007 2.506) 4.347 13.655 ( 3.592 -1.337 -7.901) 8.781 15.111 ( -4.264 -5.547 4.483) 8.309 15.164 ( -3.140 -6.769 -1.072) 7.539 ======================= Grid point 443 (143/160) ======================= q-point: ( 0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 2.379 14.594 1.258) 14.839 1.665 ( 0.958 15.920 0.577) 15.959 2.020 ( 4.842 6.041 7.698) 10.918 2.202 ( 3.245 5.047 -10.356) 11.968 2.427 ( -4.635 6.047 7.350) 10.587 2.554 ( -4.990 4.347 -5.530) 8.625 2.942 ( -9.196 5.733 4.935) 11.908 3.034 ( -11.249 1.829 -4.735) 12.341 3.876 ( 4.691 12.471 1.750) 13.438 3.915 ( 5.705 14.804 -2.195) 16.017 4.287 ( 0.246 4.584 2.350) 5.157 4.329 ( 0.765 6.936 -1.826) 7.213 5.122 ( -3.405 -5.368 -0.508) 6.377 5.139 ( -2.766 -5.193 -2.222) 6.289 5.529 ( -8.155 0.803 1.700) 8.369 5.574 ( -6.820 -0.088 -3.038) 7.466 6.097 ( 0.715 -4.629 4.699) 6.635 6.178 ( 1.968 -5.077 -3.558) 6.505 6.754 ( -2.950 -4.047 5.707) 7.593 6.842 ( -2.086 -4.090 -3.309) 5.659 7.165 ( 1.619 -0.698 4.739) 5.057 7.230 ( 1.999 2.011 -2.249) 3.619 7.627 ( 5.151 -12.393 7.051) 15.160 7.766 ( -0.333 -13.986 -7.495) 15.871 9.692 ( 4.104 -7.986 7.526) 11.716 9.833 ( 2.395 -7.971 -6.970) 10.856 10.248 ( -3.783 1.284 0.738) 4.062 10.278 ( -4.689 0.410 -2.606) 5.380 11.604 ( 0.966 -11.178 6.641) 13.038 11.712 ( 0.210 -11.446 -4.635) 12.350 11.788 ( -1.611 -16.662 7.708) 18.430 11.970 ( -4.636 -18.983 -9.767) 21.846 13.646 ( 4.874 3.925 3.056) 6.965 13.740 ( 4.472 2.980 -7.235) 9.013 15.009 ( -5.452 -7.841 5.306) 10.925 15.081 ( -4.996 -8.556 -2.394) 10.193 ======================= Grid point 444 (144/160) ======================= q-point: ( 0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 2.613 15.494 0.633) 15.726 1.714 ( 2.967 14.867 -0.629) 15.173 2.133 ( 6.103 3.762 8.614) 11.207 2.268 ( 1.597 1.575 0.291) 2.262 2.352 ( -0.816 4.075 -0.832) 4.239 2.464 ( -3.308 1.524 -6.718) 7.642 2.749 ( -9.531 6.766 1.796) 11.825 2.792 ( -12.236 2.363 -2.685) 12.748 3.981 ( 5.448 14.703 2.555) 15.887 4.028 ( 4.803 17.799 -2.025) 18.546 4.278 ( -0.867 2.096 1.761) 2.871 4.320 ( -1.555 5.387 -2.443) 6.116 5.081 ( -0.587 -6.345 -0.451) 6.388 5.098 ( -1.066 -5.130 -2.247) 5.701 5.383 ( -6.165 1.802 2.006) 6.729 5.429 ( -7.357 0.767 -2.834) 7.921 6.139 ( 3.472 -5.095 5.545) 8.292 6.219 ( 1.573 -4.560 -2.270) 5.331 6.690 ( -2.617 -6.649 3.709) 8.050 6.770 ( -4.703 -5.400 -4.027) 8.215 7.180 ( 0.509 -3.095 3.186) 4.471 7.231 ( -1.489 -2.221 -2.205) 3.465 7.742 ( 5.432 -11.103 3.828) 12.939 7.794 ( 2.203 -11.651 -1.791) 11.992 9.800 ( 6.716 -4.596 5.716) 9.945 9.901 ( 4.173 -4.164 -4.824) 7.618 10.151 ( -6.143 -1.063 0.543) 6.258 10.171 ( -5.616 -0.841 -1.647) 5.912 11.622 ( 1.142 -13.053 5.797) 14.328 11.696 ( -1.754 -13.428 -0.340) 13.547 11.782 ( 0.972 -14.757 0.579) 14.800 11.882 ( -3.996 -17.897 -7.285) 19.731 13.740 ( 4.342 7.501 2.408) 8.996 13.807 ( 1.846 7.710 -4.860) 9.299 14.923 ( -2.650 -10.879 4.002) 11.891 14.983 ( -4.624 -10.758 -2.285) 11.931 ======================= Grid point 445 (145/160) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -0.638 15.800 -0.435) 15.819 1.741 ( 0.638 15.800 -0.435) 15.819 2.228 ( -3.455 0.752 10.324) 10.913 2.228 ( 3.455 0.752 10.324) 10.913 2.421 ( -3.616 -1.074 -9.864) 10.560 2.421 ( 3.616 -1.074 -9.863) 10.560 2.631 ( -0.820 7.828 0.088) 7.871 2.631 ( 0.820 7.828 0.088) 7.871 4.062 ( -1.836 18.352 1.086) 18.476 4.062 ( 1.836 18.352 1.086) 18.476 4.282 ( -1.657 1.600 -1.180) 2.588 4.282 ( 1.657 1.600 -1.180) 2.588 5.087 ( -0.603 -7.211 -1.149) 7.326 5.087 ( 0.603 -7.211 -1.149) 7.326 5.328 ( -1.585 2.977 -0.526) 3.414 5.328 ( 1.585 2.977 -0.526) 3.414 6.209 ( -2.722 -4.545 3.068) 6.122 6.209 ( 2.722 -4.545 3.068) 6.122 6.688 ( -2.679 -7.662 -1.805) 8.315 6.688 ( 2.679 -7.662 -1.805) 8.315 7.198 ( -1.456 -3.278 0.297) 3.599 7.198 ( 1.456 -3.278 0.297) 3.599 7.810 ( -1.211 -10.807 1.479) 10.975 7.810 ( 1.211 -10.807 1.479) 10.975 9.930 ( -4.391 -0.779 1.660) 4.758 9.930 ( 4.391 -0.779 1.660) 4.758 10.078 ( -2.132 -3.730 -1.441) 4.531 10.078 ( 2.132 -3.730 -1.441) 4.531 11.655 ( -2.115 -13.745 2.838) 14.193 11.655 ( 2.115 -13.745 2.838) 14.193 11.818 ( -2.531 -16.041 -3.762) 16.670 11.818 ( 2.531 -16.041 -3.762) 16.670 13.805 ( -1.983 9.508 -0.683) 9.737 13.805 ( 1.983 9.508 -0.683) 9.737 14.915 ( -1.800 -12.102 0.404) 12.242 14.915 ( 1.800 -12.102 0.404) 12.242 ======================= Grid point 450 (146/160) ======================= q-point: ( 0.00 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.000 12.747 3.998) 13.359 1.960 ( 0.000 11.304 5.465) 12.556 2.036 ( 0.000 5.412 -0.455) 5.431 2.193 ( 0.000 0.743 -11.633) 11.657 2.683 ( 0.000 7.760 6.253) 9.966 2.786 ( 0.000 5.240 -4.370) 6.823 3.197 ( 0.000 -1.420 4.778) 4.984 3.272 ( 0.000 -3.965 -3.389) 5.216 4.001 ( 0.000 11.777 0.020) 11.777 4.015 ( 0.000 11.963 -1.414) 12.047 4.397 ( 0.000 3.200 1.191) 3.415 4.398 ( 0.000 2.809 1.113) 3.021 5.015 ( 0.000 -6.791 -0.062) 6.791 5.037 ( 0.000 -8.378 -2.677) 8.795 5.853 ( 0.000 -4.656 1.962) 5.052 5.868 ( 0.000 -0.813 0.254) 0.852 6.040 ( 0.000 10.266 0.329) 10.271 6.071 ( 0.000 7.397 -2.552) 7.825 6.694 ( 0.000 -2.845 2.955) 4.102 6.746 ( 0.000 -2.175 -2.204) 3.096 7.170 ( 0.000 1.033 11.057) 11.105 7.275 ( 0.000 5.168 -1.876) 5.498 7.353 ( 0.000 -6.676 6.804) 9.532 7.558 ( 0.000 -14.846 -12.708) 19.542 9.402 ( 0.000 -10.666 6.934) 12.721 9.544 ( 0.000 -13.639 -7.502) 15.566 10.421 ( 0.000 4.045 -0.331) 4.058 10.432 ( 0.000 7.169 -1.038) 7.244 11.391 ( 0.000 -8.775 7.595) 11.606 11.473 ( 0.000 -17.496 10.710) 20.513 11.496 ( 0.000 -9.731 -4.959) 10.922 11.691 ( 0.000 -19.016 -10.529) 21.736 13.497 ( 0.000 -2.397 -1.031) 2.609 13.536 ( 0.000 -4.500 -5.667) 7.236 15.070 ( 0.000 -3.625 2.690) 4.514 15.092 ( 0.000 -4.289 0.451) 4.313 ======================= Grid point 451 (147/160) ======================= q-point: ( 0.12 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -0.980 11.061 4.026) 11.811 1.966 ( -0.459 12.949 -0.198) 12.958 2.058 ( 2.729 4.643 4.255) 6.864 2.224 ( 2.787 2.151 -10.808) 11.367 2.645 ( -3.790 7.378 5.910) 10.184 2.741 ( -4.485 4.803 -3.990) 7.688 3.136 ( -5.847 -1.568 3.966) 7.237 3.202 ( -6.822 -3.783 -3.034) 8.371 4.023 ( 2.476 11.815 0.958) 12.110 4.054 ( 3.735 12.037 -2.252) 12.802 4.412 ( 1.517 4.301 2.121) 5.030 4.433 ( 2.513 2.924 -0.068) 3.856 5.021 ( 0.309 -6.327 -0.187) 6.337 5.041 ( 0.604 -5.592 -2.329) 6.087 5.748 ( -8.133 -0.001 1.921) 8.357 5.781 ( -6.612 2.505 -1.733) 7.280 6.058 ( -0.083 5.237 0.966) 5.326 6.084 ( -0.193 2.209 -1.619) 2.745 6.715 ( 0.893 -2.973 3.478) 4.662 6.765 ( 1.025 -2.948 -1.680) 3.545 7.150 ( -1.788 -2.302 11.036) 11.414 7.274 ( -0.344 3.505 -2.337) 4.227 7.368 ( 1.968 -5.039 4.823) 7.247 7.520 ( -2.750 -14.220 -10.547) 17.917 9.432 ( 3.159 -9.961 6.728) 12.428 9.567 ( 2.469 -12.743 -6.994) 14.744 10.387 ( -3.307 3.439 -0.714) 4.824 10.395 ( -3.642 5.784 -1.115) 6.925 11.387 ( -0.602 -10.575 9.291) 14.090 11.457 ( -0.550 -14.492 5.517) 15.517 11.517 ( 1.055 -10.437 -2.145) 10.707 11.664 ( -2.571 -18.510 -9.905) 21.151 13.551 ( 5.317 -1.599 -0.176) 5.555 13.602 ( 6.308 -3.428 -5.856) 9.265 15.016 ( -5.261 -3.834 3.214) 7.260 15.049 ( -4.236 -4.719 -0.229) 6.346 ======================= Grid point 452 (148/160) ======================= q-point: ( 0.25 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 1.551 10.010 2.942) 10.548 1.964 ( 1.031 12.256 -2.421) 12.536 2.132 ( 4.377 5.514 6.462) 9.556 2.288 ( 3.349 4.033 -9.179) 10.570 2.542 ( -6.361 6.298 4.535) 10.035 2.617 ( -7.799 3.295 -3.026) 8.991 2.988 ( -8.587 -0.947 1.715) 8.808 3.026 ( -10.178 -2.122 -2.119) 10.611 4.099 ( 5.042 11.405 2.304) 12.681 4.154 ( 6.111 11.396 -3.322) 13.352 4.433 ( 0.089 6.077 2.744) 6.668 4.473 ( 1.046 4.173 -1.499) 4.556 5.023 ( 0.204 -2.185 0.638) 2.286 5.059 ( 0.878 -0.848 -2.864) 3.113 5.591 ( -7.264 3.059 2.965) 8.421 5.651 ( -6.723 4.879 -3.484) 9.008 6.017 ( -2.788 -1.351 2.651) 4.077 6.068 ( -0.743 -3.939 -2.519) 4.734 6.673 ( -5.666 -4.656 5.327) 9.064 6.743 ( -3.901 -6.094 -1.961) 7.497 7.125 ( -0.244 -3.604 6.855) 7.748 7.239 ( -3.137 -1.961 -4.539) 5.855 7.441 ( 5.161 -5.786 3.931) 8.693 7.513 ( 2.493 -10.438 -3.969) 11.442 9.531 ( 6.878 -7.977 6.154) 12.199 9.647 ( 5.697 -10.239 -5.760) 13.057 10.293 ( -6.434 2.915 -0.906) 7.121 10.296 ( -6.171 1.377 -1.285) 6.452 11.367 ( -1.008 -12.617 9.977) 16.117 11.457 ( 0.202 -11.746 2.345) 11.980 11.527 ( -0.045 -10.072 -2.259) 10.322 11.601 ( -3.466 -17.183 -7.762) 19.171 13.691 ( 8.419 0.953 1.534) 8.610 13.761 ( 9.141 -0.476 -6.031) 10.962 14.878 ( -8.149 -5.113 4.231) 10.509 14.935 ( -7.109 -6.116 -1.734) 9.537 ======================= Grid point 453 (149/160) ======================= q-point: ( 0.38 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 4.410 9.542 2.644) 10.840 2.017 ( 3.937 12.650 -2.419) 13.467 2.218 ( 3.802 4.784 7.161) 9.414 2.336 ( 0.286 6.905 -3.371) 7.689 2.414 ( -5.447 4.107 0.112) 6.823 2.458 ( -7.042 -0.730 -4.612) 8.449 2.820 ( -7.631 0.512 0.320) 7.654 2.843 ( -7.560 1.908 -1.963) 8.040 4.209 ( 5.840 10.375 3.211) 12.331 4.280 ( 6.344 10.055 -4.101) 12.576 4.404 ( -3.005 7.675 3.269) 8.866 4.463 ( -2.042 6.259 -2.995) 7.233 5.038 ( 1.352 2.557 0.904) 3.031 5.071 ( 0.388 3.481 -2.494) 4.300 5.468 ( -4.987 5.026 2.151) 7.400 5.514 ( -6.741 5.936 -2.756) 9.395 5.999 ( 1.564 -7.504 4.634) 8.957 6.072 ( 0.821 -9.121 -2.476) 9.486 6.534 ( -6.514 -8.831 4.321) 11.794 6.618 ( -7.872 -9.879 -3.868) 13.211 7.136 ( 1.029 -1.647 2.877) 3.471 7.185 ( -1.911 -2.212 -2.272) 3.702 7.543 ( 4.517 -8.631 3.389) 10.314 7.576 ( 2.835 -10.050 -0.148) 10.443 9.700 ( 10.119 -5.246 5.025) 12.456 9.788 ( 8.328 -6.806 -4.090) 11.506 10.136 ( -9.332 -0.656 0.360) 9.362 10.154 ( -8.143 -1.045 -1.779) 8.401 11.362 ( 0.689 -11.912 6.469) 13.572 11.445 ( -1.855 -11.184 -0.615) 11.354 11.520 ( -0.292 -11.221 -1.121) 11.281 11.547 ( -1.740 -14.927 -3.444) 15.418 13.860 ( 8.056 4.797 2.235) 9.638 13.926 ( 6.478 4.367 -4.806) 9.172 14.728 ( -6.067 -8.502 3.843) 11.129 14.787 ( -7.279 -8.779 -2.435) 11.661 ======================= Grid point 454 (150/160) ======================= q-point: (-0.50 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -2.320 11.964 0.971) 12.225 2.054 ( 2.320 11.964 0.971) 12.225 2.271 ( -3.709 5.312 5.281) 8.358 2.271 ( 3.709 5.312 5.281) 8.358 2.386 ( -1.922 -0.384 -6.162) 6.466 2.386 ( 1.922 -0.384 -6.162) 6.466 2.748 ( -1.184 3.247 -1.333) 3.704 2.748 ( 1.184 3.247 -1.333) 3.704 4.318 ( -5.008 9.202 3.137) 10.936 4.318 ( 5.008 9.202 3.137) 10.936 4.395 ( -4.667 8.220 -3.667) 10.138 4.395 ( 4.667 8.220 -3.667) 10.138 5.067 ( -1.059 4.809 -0.414) 4.941 5.067 ( 1.059 4.809 -0.414) 4.941 5.425 ( -1.354 5.752 -0.551) 5.935 5.425 ( 1.354 5.752 -0.551) 5.935 6.058 ( -2.910 -10.067 2.848) 10.859 6.058 ( 2.910 -10.067 2.848) 10.859 6.492 ( -3.144 -11.348 -1.900) 11.928 6.492 ( 3.144 -11.348 -1.900) 11.928 7.158 ( -1.136 -1.105 0.423) 1.640 7.158 ( 1.136 -1.105 0.423) 1.640 7.599 ( -0.841 -10.259 1.981) 10.483 7.599 ( 0.841 -10.259 1.981) 10.483 9.899 ( -6.521 -2.233 2.171) 7.226 9.899 ( 6.521 -2.233 2.171) 7.226 9.996 ( -4.617 -4.528 -1.987) 6.765 9.996 ( 4.617 -4.528 -1.987) 6.765 11.395 ( -2.517 -11.278 1.365) 11.636 11.395 ( 2.517 -11.278 1.365) 11.636 11.525 ( -0.694 -12.860 -1.027) 12.919 11.525 ( 0.694 -12.860 -1.027) 12.919 13.972 ( -2.279 7.616 -0.476) 7.964 13.972 ( 2.279 7.616 -0.476) 7.964 14.684 ( -2.107 -11.155 0.044) 11.353 14.684 ( 2.107 -11.155 0.044) 11.353 ======================= Grid point 459 (151/160) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.075 ( 0.000 3.404 3.614) 4.965 2.112 ( 0.000 5.639 1.989) 5.979 2.165 ( 0.000 4.418 -2.121) 4.901 2.189 ( 0.000 -0.875 -6.629) 6.686 2.857 ( 0.000 9.268 2.843) 9.694 2.902 ( 0.000 6.317 -1.790) 6.566 3.131 ( 0.000 -3.887 2.762) 4.768 3.167 ( 0.000 -5.447 -1.167) 5.571 4.231 ( 0.000 9.364 0.600) 9.383 4.249 ( 0.000 8.947 -1.134) 9.019 4.320 ( 0.000 -7.070 0.361) 7.080 4.331 ( 0.000 -6.756 -0.754) 6.798 4.972 ( 0.000 0.620 -0.361) 0.717 4.980 ( 0.000 1.273 -0.914) 1.567 5.757 ( 0.000 -3.571 2.901) 4.601 5.786 ( 0.000 -4.476 0.086) 4.477 6.307 ( 0.000 14.552 0.535) 14.561 6.332 ( 0.000 14.916 -2.072) 15.059 6.656 ( 0.000 -1.439 2.655) 3.020 6.707 ( 0.000 -2.447 -2.398) 3.427 7.062 ( 0.000 -7.722 11.675) 13.998 7.256 ( 0.000 -14.933 -7.712) 16.807 7.348 ( 0.000 2.558 0.823) 2.687 7.356 ( 0.000 2.789 -0.717) 2.880 9.220 ( 0.000 -6.833 2.878) 7.414 9.292 ( 0.000 -10.558 -4.416) 11.444 10.529 ( 0.000 6.640 3.008) 7.289 10.592 ( 0.000 7.897 -3.350) 8.578 11.147 ( 0.000 -12.023 11.668) 16.754 11.278 ( 0.000 -4.200 2.517) 4.896 11.294 ( 0.000 -12.225 -2.570) 12.492 11.367 ( 0.000 -10.825 -7.937) 13.422 13.447 ( 0.000 -2.133 -3.219) 3.861 13.458 ( 0.000 -3.006 -4.603) 5.497 15.015 ( 0.000 -1.776 2.014) 2.685 15.026 ( 0.000 -2.328 0.928) 2.506 ======================= Grid point 460 (152/160) ======================= q-point: ( 0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -0.562 5.947 2.531) 6.488 2.126 ( -0.861 3.348 -3.196) 4.708 2.151 ( 2.232 4.074 3.487) 5.808 2.241 ( 3.509 -1.075 -5.875) 6.927 2.809 ( -4.682 8.562 2.900) 10.180 2.855 ( -4.568 6.592 -1.781) 8.216 3.074 ( -5.428 -3.654 2.387) 6.965 3.112 ( -5.208 -4.271 -1.457) 6.891 4.247 ( 2.093 8.386 1.144) 8.719 4.277 ( 2.964 7.390 -1.878) 8.180 4.376 ( 4.775 -4.123 0.338) 6.318 4.384 ( 4.616 -4.460 -0.565) 6.443 4.989 ( 2.087 1.761 0.912) 2.879 5.018 ( 3.278 1.319 -1.900) 4.011 5.703 ( -4.876 -2.510 3.223) 6.361 5.746 ( -3.673 -3.858 -1.110) 5.441 6.256 ( -5.277 12.639 0.214) 13.699 6.270 ( -6.002 13.314 -1.266) 14.659 6.656 ( -1.278 -3.557 2.621) 4.599 6.696 ( -2.313 -4.920 -1.171) 5.561 7.036 ( -1.269 -5.698 9.767) 11.378 7.206 ( -3.892 -11.682 -7.184) 14.256 7.354 ( 0.587 1.042 1.035) 1.582 7.364 ( 0.633 0.765 -0.345) 1.051 9.262 ( 4.344 -6.401 2.907) 8.264 9.331 ( 4.033 -9.940 -4.062) 11.471 10.473 ( -5.378 5.193 2.036) 7.748 10.524 ( -6.632 5.957 -2.992) 9.403 11.140 ( -0.264 -10.352 10.506) 14.751 11.272 ( -0.188 -8.691 -1.137) 8.767 11.315 ( 1.088 -8.805 0.227) 8.875 11.370 ( 0.243 -8.568 -5.680) 10.283 13.515 ( 6.806 -1.516 -2.304) 7.343 13.537 ( 7.640 -2.707 -4.686) 9.363 14.960 ( -5.522 -1.754 2.217) 6.203 14.977 ( -4.943 -2.582 0.521) 5.601 ======================= Grid point 461 (153/160) ======================= q-point: ( 0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 0.646 6.527 2.235) 6.930 2.117 ( 0.562 4.363 -3.373) 5.543 2.217 ( 3.773 1.818 4.300) 6.003 2.313 ( 3.425 -2.706 -5.550) 7.061 2.687 ( -7.045 7.974 2.756) 10.992 2.736 ( -7.080 7.796 -2.065) 10.731 2.942 ( -7.333 -2.446 2.039) 7.994 2.987 ( -6.862 -1.721 -2.355) 7.456 4.314 ( 4.480 8.554 1.847) 9.831 4.361 ( 5.186 7.100 -2.854) 9.244 4.476 ( 4.621 0.145 0.316) 4.634 4.482 ( 4.840 -0.727 -0.392) 4.910 5.050 ( 3.984 3.500 2.082) 5.697 5.098 ( 4.559 2.713 -2.597) 5.906 5.595 ( -5.530 -1.670 3.916) 6.979 5.661 ( -4.601 -3.684 -3.002) 6.615 6.102 ( -9.481 9.109 0.641) 13.163 6.120 ( -8.676 8.955 -1.097) 12.517 6.547 ( -9.744 -8.304 3.473) 13.265 6.587 ( -8.614 -9.701 -0.723) 12.994 7.055 ( 2.882 -2.139 5.167) 6.291 7.153 ( -0.859 -5.407 -4.691) 7.210 7.371 ( 1.067 -2.513 1.459) 3.096 7.380 ( 0.912 -2.954 0.573) 3.145 9.394 ( 9.008 -5.095 2.932) 10.756 9.454 ( 8.469 -8.157 -3.241) 12.197 10.330 ( -8.967 1.998 0.148) 9.188 10.351 ( -10.497 2.275 -1.923) 10.911 11.149 ( 1.178 -7.505 8.366) 11.301 11.269 ( -0.227 -10.085 -3.276) 10.606 11.324 ( -0.132 -6.749 2.036) 7.050 11.368 ( -0.710 -6.564 -2.884) 7.205 13.699 ( 11.345 0.229 -0.513) 11.359 13.737 ( 12.086 -1.569 -4.542) 13.006 14.807 ( -9.765 -2.096 2.726) 10.353 14.838 ( -8.935 -3.560 -0.600) 9.637 ======================= Grid point 462 (154/160) ======================= q-point: ( 0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 3.040 5.075 2.583) 6.455 2.152 ( 2.699 3.061 -2.802) 4.951 2.275 ( 1.260 -0.036 3.666) 3.877 2.348 ( -0.773 -4.786 -3.386) 5.913 2.574 ( -3.247 10.530 0.808) 11.049 2.604 ( -5.144 10.951 -1.953) 12.255 2.813 ( -4.989 -0.523 1.388) 5.204 2.859 ( -5.859 -0.153 -3.085) 6.624 4.409 ( 4.772 8.947 2.023) 10.340 4.460 ( 4.211 6.949 -3.210) 8.737 4.537 ( 1.664 5.895 1.079) 6.220 4.557 ( 2.301 3.723 -1.075) 4.507 5.137 ( 4.562 5.689 2.306) 7.648 5.184 ( 3.697 5.592 -2.481) 7.148 5.503 ( -3.442 -2.437 3.612) 5.552 5.567 ( -4.982 -3.055 -3.132) 6.630 5.938 ( -5.763 3.569 1.443) 6.931 5.966 ( -5.861 1.986 -1.222) 6.307 6.340 ( -9.294 -10.549 2.674) 14.311 6.387 ( -10.174 -12.728 -2.055) 16.423 7.119 ( 2.980 0.375 2.534) 3.930 7.159 ( 0.652 -0.245 -1.557) 1.706 7.392 ( 0.912 -6.906 1.785) 7.191 7.397 ( 0.700 -7.485 1.322) 7.633 9.608 ( 12.392 -3.484 2.526) 13.118 9.655 ( 11.513 -5.799 -2.316) 13.097 10.122 ( -12.286 -0.643 -0.249) 12.305 10.130 ( -11.354 -1.174 -1.320) 11.490 11.184 ( 2.353 -5.365 5.394) 7.964 11.263 ( -0.571 -7.426 -2.399) 7.825 11.315 ( -0.557 -7.260 2.009) 7.554 11.342 ( -1.671 -6.653 -0.786) 6.905 13.939 ( 12.322 3.254 0.991) 12.783 13.985 ( 12.142 1.560 -3.893) 12.846 14.596 ( -10.836 -4.418 2.793) 12.030 14.638 ( -10.837 -5.936 -1.719) 12.475 ======================= Grid point 463 (155/160) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -2.713 2.881 1.751) 4.328 2.169 ( 2.713 2.881 1.751) 4.328 2.294 ( -2.992 -2.711 -1.214) 4.216 2.294 ( 2.992 -2.711 -1.214) 4.216 2.557 ( -0.703 12.518 -0.334) 12.542 2.557 ( 0.703 12.518 -0.334) 12.542 2.777 ( -1.699 -0.052 -1.721) 2.419 2.777 ( 1.699 -0.052 -1.721) 2.419 4.484 ( -2.129 7.719 0.451) 8.020 4.484 ( 2.129 7.719 0.451) 8.020 4.565 ( -1.234 7.658 -1.064) 7.829 4.565 ( 1.234 7.658 -1.064) 7.829 5.209 ( -1.800 7.687 0.416) 7.905 5.209 ( 1.800 7.687 0.416) 7.905 5.485 ( -2.229 -2.486 -0.278) 3.350 5.485 ( 2.229 -2.486 -0.278) 3.350 5.899 ( -1.235 -1.782 0.781) 2.305 5.899 ( 1.235 -1.782 0.781) 2.305 6.254 ( -1.717 -12.309 -0.764) 12.452 6.254 ( 1.717 -12.309 -0.764) 12.452 7.159 ( -0.947 1.659 0.683) 2.028 7.159 ( 0.947 1.659 0.683) 2.028 7.403 ( -0.141 -9.319 1.744) 9.482 7.403 ( 0.141 -9.319 1.744) 9.482 9.855 ( -7.651 -1.676 1.169) 7.919 9.855 ( 7.651 -1.676 1.169) 7.919 9.905 ( -6.627 -4.158 -1.598) 7.985 9.905 ( 6.627 -4.158 -1.598) 7.985 11.234 ( -2.337 -4.623 1.427) 5.373 11.234 ( 2.337 -4.623 1.427) 5.373 11.315 ( -0.760 -8.000 0.611) 8.059 11.315 ( 0.760 -8.000 0.611) 8.059 14.121 ( -2.450 7.614 -0.425) 8.009 14.121 ( 2.450 7.614 -0.425) 8.009 14.471 ( -2.360 -10.094 -0.288) 10.370 14.471 ( 2.360 -10.094 -0.288) 10.370 ======================= Grid point 468 (156/160) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.138 ( 0.000 -2.572 -1.711) 3.089 2.138 ( 0.000 2.572 -1.711) 3.089 2.190 ( 0.000 -1.052 -0.015) 1.052 2.190 ( 0.000 1.052 -0.015) 1.052 2.993 ( 0.000 -0.644 0.398) 0.757 2.993 ( 0.000 0.644 0.398) 0.757 3.077 ( 0.000 -1.247 0.931) 1.556 3.077 ( 0.000 1.247 0.931) 1.556 4.221 ( 0.000 -0.364 -0.762) 0.845 4.221 ( 0.000 0.364 -0.762) 0.845 4.355 ( 0.000 -0.739 -0.021) 0.739 4.355 ( 0.000 0.739 -0.021) 0.739 4.992 ( 0.000 -0.532 -0.500) 0.731 4.992 ( 0.000 0.532 -0.500) 0.731 5.729 ( 0.000 -0.855 1.620) 1.832 5.729 ( 0.000 0.855 1.620) 1.832 6.537 ( 0.000 -1.616 -1.336) 2.097 6.537 ( 0.000 1.616 -1.336) 2.097 6.625 ( 0.000 -1.724 1.894) 2.561 6.625 ( 0.000 1.724 1.894) 2.561 7.017 ( 0.000 -6.151 0.738) 6.195 7.017 ( 0.000 6.151 0.738) 6.195 7.381 ( 0.000 -0.314 0.388) 0.500 7.381 ( 0.000 0.314 0.388) 0.500 9.163 ( 0.000 -1.781 -1.026) 2.055 9.163 ( 0.000 1.781 -1.026) 2.055 10.654 ( 0.000 -3.697 1.812) 4.117 10.654 ( 0.000 3.697 1.812) 4.117 11.070 ( 0.000 -6.223 1.293) 6.356 11.070 ( 0.000 6.223 1.293) 6.356 11.255 ( 0.000 -1.953 -1.047) 2.215 11.255 ( 0.000 1.953 -1.047) 2.215 13.425 ( 0.000 -0.174 -4.168) 4.171 13.425 ( 0.000 0.174 -4.168) 4.171 15.000 ( 0.000 -0.277 1.448) 1.474 15.000 ( 0.000 0.277 1.448) 1.474 ======================= Grid point 470 (157/160) ======================= q-point: ( 0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 2.304 -1.599 -1.460) 3.161 2.163 ( 2.304 1.599 -1.460) 3.161 2.183 ( -0.516 -2.472 -0.102) 2.528 2.183 ( -0.516 2.472 -0.102) 2.528 2.936 ( -5.366 -2.178 0.401) 5.805 2.936 ( -5.366 2.178 0.401) 5.805 3.037 ( -3.860 -2.355 0.547) 4.555 3.037 ( -3.860 2.355 0.547) 4.555 4.270 ( 4.732 -0.365 -0.769) 4.808 4.270 ( 4.732 0.365 -0.769) 4.808 4.399 ( 4.151 -0.644 -0.012) 4.201 4.399 ( 4.151 0.644 -0.012) 4.201 5.025 ( 3.225 -1.040 -0.295) 3.402 5.025 ( 3.225 1.040 -0.295) 3.402 5.688 ( -3.898 -1.257 1.266) 4.286 5.688 ( -3.898 1.257 1.266) 4.286 6.475 ( -6.458 -1.984 -0.987) 6.827 6.475 ( -6.458 1.984 -0.987) 6.827 6.568 ( -5.885 -1.991 1.804) 6.469 6.568 ( -5.885 1.991 1.804) 6.469 7.020 ( 0.793 -4.956 0.540) 5.048 7.020 ( 0.793 4.956 0.540) 5.048 7.373 ( -0.826 -0.368 0.552) 1.059 7.373 ( -0.826 0.368 0.552) 1.059 9.209 ( 4.776 -1.705 -0.811) 5.136 9.209 ( 4.776 1.705 -0.811) 5.136 10.567 ( -8.150 -2.581 0.789) 8.586 10.567 ( -8.150 2.581 0.789) 8.586 11.080 ( 1.043 -5.272 1.664) 5.626 11.080 ( 1.043 5.272 1.664) 5.626 11.273 ( 1.286 -1.758 -0.541) 2.244 11.273 ( 1.286 1.758 -0.541) 2.244 13.504 ( 7.687 -0.528 -3.724) 8.557 13.504 ( 7.687 0.528 -3.724) 8.557 14.947 ( -5.370 -0.415 1.339) 5.550 14.947 ( -5.370 0.415 1.339) 5.550 ======================= Grid point 472 (158/160) ======================= q-point: ( 0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.206 -1.144 0.305) 1.202 2.171 ( -0.206 1.144 0.305) 1.202 2.224 ( 3.107 -2.833 -1.351) 4.416 2.224 ( 3.107 2.833 -1.351) 4.416 2.810 ( -6.596 -2.623 0.127) 7.099 2.810 ( -6.596 2.623 0.127) 7.099 2.940 ( -5.620 -2.813 -0.114) 6.286 2.940 ( -5.620 2.813 -0.114) 6.286 4.392 ( 7.218 -0.965 -0.633) 7.309 4.392 ( 7.218 0.965 -0.633) 7.309 4.499 ( 5.521 -0.411 -0.122) 5.537 4.499 ( 5.521 0.411 -0.122) 5.537 5.110 ( 5.216 -1.671 0.123) 5.479 5.110 ( 5.216 1.671 0.123) 5.479 5.590 ( -5.700 -1.994 0.603) 6.069 5.590 ( -5.700 1.994 0.603) 6.069 6.291 ( -11.316 -2.472 -0.507) 11.594 6.291 ( -11.316 2.472 -0.507) 11.594 6.395 ( -11.337 -2.913 1.247) 11.772 6.395 ( -11.337 2.913 1.247) 11.772 7.064 ( 3.688 -2.945 0.456) 4.742 7.064 ( 3.688 2.945 0.456) 4.742 7.349 ( -1.652 -0.470 0.949) 1.962 7.349 ( -1.652 0.470 0.949) 1.962 9.353 ( 9.778 -1.518 -0.338) 9.901 9.353 ( 9.778 1.518 -0.338) 9.901 10.364 ( -11.818 -0.947 -0.496) 11.866 10.364 ( -11.818 0.947 -0.496) 11.866 11.110 ( 1.975 -3.761 2.120) 4.747 11.110 ( 1.975 3.761 2.120) 4.747 11.285 ( -0.246 -1.497 0.128) 1.522 11.285 ( -0.246 1.497 0.128) 1.522 13.710 ( 12.767 -0.982 -2.673) 13.081 13.710 ( 12.767 0.982 -2.673) 13.081 14.794 ( -9.972 -0.820 1.002) 10.056 14.794 ( -9.972 0.820 1.002) 10.056 ======================= Grid point 474 (159/160) ======================= q-point: ( 0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 1.553 -1.540 0.350) 2.215 2.183 ( 1.553 1.540 0.350) 2.215 2.262 ( 0.130 -1.479 -0.486) 1.563 2.262 ( 0.130 1.479 -0.486) 1.563 2.715 ( -2.122 -2.052 -0.545) 3.002 2.715 ( -2.122 2.052 -0.545) 3.002 2.828 ( -5.528 -2.653 -0.659) 6.167 2.828 ( -5.528 2.653 -0.659) 6.167 4.531 ( 6.314 -1.711 -0.279) 6.548 4.531 ( 6.314 1.711 -0.279) 6.548 4.593 ( 3.438 -0.659 -0.264) 3.511 4.593 ( 3.438 0.659 -0.264) 3.511 5.225 ( 6.349 -2.165 0.350) 6.717 5.225 ( 6.349 2.165 0.350) 6.717 5.475 ( -5.925 -2.495 0.184) 6.432 5.475 ( -5.925 2.495 0.184) 6.432 6.084 ( -8.286 -2.733 -0.442) 8.737 6.084 ( -8.286 2.733 -0.442) 8.737 6.159 ( -11.180 -3.052 0.355) 11.595 6.159 ( -11.180 3.052 0.355) 11.595 7.151 ( 4.760 -1.743 0.825) 5.136 7.151 ( 4.760 1.744 0.825) 5.136 7.306 ( -2.737 -0.665 1.267) 3.089 7.306 ( -2.737 0.665 1.267) 3.089 9.582 ( 12.996 -1.188 -0.101) 13.051 9.582 ( 12.996 1.188 -0.101) 13.051 10.116 ( -13.246 -0.159 -0.783) 13.270 10.116 ( -13.246 0.159 -0.783) 13.270 11.156 ( 2.674 -2.397 2.020) 4.120 11.156 ( 2.674 2.397 2.020) 4.120 11.262 ( -2.044 -1.120 0.711) 2.437 11.262 ( -2.044 1.120 0.711) 2.437 13.987 ( 14.928 -1.338 -1.484) 15.061 13.987 ( 14.928 1.338 -1.484) 15.061 14.563 ( -13.247 -1.248 0.417) 13.312 14.563 ( -13.247 1.248 0.417) 13.312 ======================= Grid point 476 (160/160) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.229 ( -1.846 -3.179 0.206) 3.682 2.229 ( 0.013 -3.042 0.206) 3.049 2.229 ( -0.013 3.042 0.206) 3.049 2.229 ( 1.846 3.179 0.206) 3.682 2.734 ( -2.344 -4.791 -0.925) 5.413 2.734 ( 0.343 -4.649 -0.925) 4.752 2.734 ( -0.343 4.649 -0.925) 4.752 2.734 ( 2.344 4.791 -0.925) 5.413 4.614 ( -0.994 -3.437 -0.157) 3.581 4.614 ( 0.379 -3.406 -0.157) 3.431 4.614 ( -0.379 3.406 -0.157) 3.431 4.614 ( 0.994 3.437 -0.157) 3.581 5.354 ( -4.107 -7.031 0.214) 8.146 5.354 ( -0.671 -6.733 0.214) 6.770 5.354 ( 0.671 6.733 0.214) 6.770 5.354 ( 4.108 7.031 0.214) 8.146 6.016 ( -0.769 -10.698 -0.314) 10.730 6.016 ( 0.370 -10.692 -0.314) 10.703 6.016 ( -0.370 10.692 -0.314) 10.703 6.016 ( 0.769 10.698 -0.314) 10.730 7.240 ( -1.736 -6.256 1.220) 6.606 7.240 ( -0.591 -6.202 1.220) 6.349 7.240 ( 0.591 6.202 1.220) 6.349 7.240 ( 1.736 6.256 1.220) 6.606 9.849 ( -13.674 -0.850 -0.388) 13.706 9.849 ( -13.608 0.522 -0.388) 13.624 9.849 ( 13.608 -0.522 -0.388) 13.624 9.849 ( 13.674 0.850 -0.388) 13.706 11.212 ( -2.381 -2.097 1.409) 3.471 11.212 ( -0.169 -1.728 1.409) 2.236 11.212 ( 0.169 1.728 1.409) 2.236 11.212 ( 2.381 2.097 1.409) 3.471 14.283 ( -10.736 -7.047 -0.421) 12.849 14.283 ( -8.545 -6.252 -0.421) 10.596 14.283 ( 8.545 6.252 -0.421) 10.596 14.283 ( 10.736 7.047 -0.421) 12.849 =================== 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 3/28224 10.0 529.122 604.704 483.273 0.000 0.000 -0.000 3/28224 20.0 116.325 318.285 109.656 0.000 0.000 -0.000 3/28224 30.0 53.744 190.544 56.201 0.000 0.000 -0.000 3/28224 40.0 31.354 116.733 34.590 0.000 0.000 -0.000 3/28224 50.0 20.557 76.088 23.076 0.000 0.000 -0.000 3/28224 60.0 14.712 53.403 16.494 0.000 0.000 -0.000 3/28224 70.0 11.244 39.954 12.498 0.000 0.000 -0.000 3/28224 80.0 9.020 31.422 9.920 0.000 0.000 -0.000 3/28224 90.0 7.501 25.675 8.164 0.000 0.000 -0.000 3/28224 100.0 6.410 21.606 6.910 0.000 0.000 -0.000 3/28224 110.0 5.594 18.605 5.979 0.000 0.000 -0.000 3/28224 120.0 4.963 16.318 5.265 0.000 0.000 -0.000 3/28224 130.0 4.461 14.525 4.703 0.000 0.000 -0.000 3/28224 140.0 4.054 13.087 4.250 0.000 0.000 -0.000 3/28224 150.0 3.717 11.910 3.878 0.000 0.000 -0.000 3/28224 160.0 3.434 10.930 3.567 0.000 0.000 -0.000 3/28224 170.0 3.192 10.103 3.304 0.000 0.000 -0.000 3/28224 180.0 2.983 9.396 3.078 0.000 0.000 -0.000 3/28224 190.0 2.801 8.784 2.882 0.000 0.000 -0.000 3/28224 200.0 2.641 8.249 2.710 0.000 0.000 -0.000 3/28224 210.0 2.499 7.779 2.559 0.000 0.000 -0.000 3/28224 220.0 2.371 7.361 2.424 0.000 0.000 -0.000 3/28224 230.0 2.257 6.987 2.303 0.000 0.000 -0.000 3/28224 240.0 2.154 6.651 2.194 0.000 0.000 -0.000 3/28224 250.0 2.060 6.346 2.095 0.000 0.000 -0.000 3/28224 260.0 1.974 6.070 2.005 0.000 0.000 -0.000 3/28224 270.0 1.895 5.817 1.923 0.000 0.000 -0.000 3/28224 280.0 1.822 5.585 1.848 0.000 0.000 -0.000 3/28224 290.0 1.755 5.372 1.778 0.000 0.000 -0.000 3/28224 300.0 1.693 5.175 1.713 0.000 0.000 -0.000 3/28224 310.0 1.636 4.992 1.654 0.000 0.000 -0.000 3/28224 320.0 1.582 4.822 1.598 0.000 0.000 -0.000 3/28224 330.0 1.531 4.664 1.546 0.000 0.000 -0.000 3/28224 340.0 1.484 4.516 1.498 0.000 0.000 -0.000 3/28224 350.0 1.440 4.378 1.452 0.000 0.000 -0.000 3/28224 360.0 1.398 4.248 1.409 0.000 0.000 -0.000 3/28224 370.0 1.359 4.125 1.369 0.000 0.000 -0.000 3/28224 380.0 1.322 4.010 1.331 0.000 0.000 -0.000 3/28224 390.0 1.287 3.901 1.295 0.000 0.000 -0.000 3/28224 400.0 1.253 3.798 1.261 0.000 0.000 -0.000 3/28224 410.0 1.222 3.700 1.229 0.000 0.000 -0.000 3/28224 420.0 1.192 3.607 1.199 0.000 0.000 -0.000 3/28224 430.0 1.163 3.519 1.170 0.000 0.000 -0.000 3/28224 440.0 1.136 3.436 1.142 0.000 0.000 -0.000 3/28224 450.0 1.110 3.356 1.116 0.000 0.000 -0.000 3/28224 460.0 1.086 3.280 1.090 0.000 0.000 -0.000 3/28224 470.0 1.062 3.207 1.066 0.000 0.000 -0.000 3/28224 480.0 1.039 3.138 1.044 0.000 0.000 -0.000 3/28224 490.0 1.018 3.071 1.022 0.000 0.000 -0.000 3/28224 500.0 0.997 3.008 1.000 0.000 0.000 -0.000 3/28224 510.0 0.977 2.947 0.980 0.000 0.000 -0.000 3/28224 520.0 0.958 2.888 0.961 0.000 0.000 -0.000 3/28224 530.0 0.939 2.832 0.942 0.000 0.000 -0.000 3/28224 540.0 0.922 2.778 0.924 0.000 0.000 -0.000 3/28224 550.0 0.905 2.726 0.907 0.000 0.000 -0.000 3/28224 560.0 0.888 2.676 0.891 0.000 0.000 -0.000 3/28224 570.0 0.872 2.628 0.875 0.000 0.000 -0.000 3/28224 580.0 0.857 2.581 0.859 0.000 0.000 -0.000 3/28224 590.0 0.842 2.536 0.844 0.000 0.000 -0.000 3/28224 600.0 0.828 2.493 0.830 0.000 0.000 -0.000 3/28224 610.0 0.814 2.451 0.816 0.000 0.000 -0.000 3/28224 620.0 0.801 2.411 0.803 0.000 0.000 -0.000 3/28224 630.0 0.788 2.371 0.790 0.000 0.000 -0.000 3/28224 640.0 0.776 2.334 0.777 0.000 0.000 -0.000 3/28224 650.0 0.764 2.297 0.765 0.000 0.000 -0.000 3/28224 660.0 0.752 2.261 0.753 0.000 0.000 -0.000 3/28224 670.0 0.741 2.227 0.742 0.000 0.000 -0.000 3/28224 680.0 0.730 2.194 0.731 0.000 0.000 -0.000 3/28224 690.0 0.719 2.161 0.720 0.000 0.000 -0.000 3/28224 700.0 0.709 2.130 0.709 0.000 0.000 -0.000 3/28224 710.0 0.698 2.099 0.699 0.000 0.000 -0.000 3/28224 720.0 0.689 2.070 0.689 0.000 0.000 -0.000 3/28224 730.0 0.679 2.041 0.680 0.000 0.000 -0.000 3/28224 740.0 0.670 2.013 0.670 0.000 0.000 -0.000 3/28224 750.0 0.661 1.985 0.661 0.000 0.000 -0.000 3/28224 760.0 0.652 1.959 0.653 0.000 0.000 -0.000 3/28224 770.0 0.644 1.933 0.644 0.000 0.000 -0.000 3/28224 780.0 0.635 1.908 0.636 0.000 0.000 -0.000 3/28224 790.0 0.627 1.883 0.628 0.000 0.000 -0.000 3/28224 800.0 0.619 1.860 0.620 0.000 0.000 -0.000 3/28224 810.0 0.612 1.836 0.612 0.000 0.000 -0.000 3/28224 820.0 0.604 1.814 0.604 0.000 0.000 -0.000 3/28224 830.0 0.597 1.791 0.597 0.000 0.000 -0.000 3/28224 840.0 0.590 1.770 0.590 0.000 0.000 -0.000 3/28224 850.0 0.583 1.749 0.583 0.000 0.000 -0.000 3/28224 860.0 0.576 1.728 0.576 0.000 0.000 -0.000 3/28224 870.0 0.569 1.708 0.569 0.000 0.000 -0.000 3/28224 880.0 0.563 1.688 0.563 0.000 0.000 -0.000 3/28224 890.0 0.556 1.669 0.556 0.000 0.000 -0.000 3/28224 900.0 0.550 1.651 0.550 0.000 0.000 -0.000 3/28224 910.0 0.544 1.632 0.544 0.000 0.000 -0.000 3/28224 920.0 0.538 1.614 0.538 0.000 0.000 -0.000 3/28224 930.0 0.532 1.597 0.532 0.000 0.000 -0.000 3/28224 940.0 0.526 1.580 0.526 0.000 0.000 -0.000 3/28224 950.0 0.521 1.563 0.521 0.000 0.000 -0.000 3/28224 960.0 0.515 1.546 0.515 0.000 0.000 -0.000 3/28224 970.0 0.510 1.530 0.510 0.000 0.000 -0.000 3/28224 980.0 0.505 1.515 0.505 0.000 0.000 -0.000 3/28224 990.0 0.500 1.499 0.500 0.000 0.000 -0.000 3/28224 1000.0 0.495 1.484 0.495 0.000 0.000 -0.000 3/28224 Thermal conductivity related properties were written into "kappa-m8147.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:06:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|