----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:38:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.081986649999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.347668379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.253282369999999 Atomic positions (fractional): *1 Li 0.06803317937241 0.25000000000000 0.09683701637423 6.941 2 Li 0.56803317937241 0.25000000000000 0.40316298362577 6.941 3 Li 0.43196682062759 0.75000000000000 0.59683701637423 6.941 4 Li 0.93196682062759 0.75000000000000 0.90316298362577 6.941 *5 Dy 0.36010606166947 0.25000000000000 0.04803353280305 162.500 6 Dy 0.86010606166947 0.25000000000000 0.45196646719695 162.500 7 Dy 0.13989393833053 0.75000000000000 0.54803353280305 162.500 8 Dy 0.63989393833053 0.75000000000000 0.95196646719695 162.500 *9 O 0.70640048009524 0.25000000000000 0.18916993334119 15.999 *10 O 0.47450807595788 0.75000000000000 0.24153485317657 15.999 11 O 0.97450807595788 0.75000000000000 0.25846514682342 15.999 12 O 0.20640048009524 0.25000000000000 0.31083006665882 15.999 13 O 0.79359951990476 0.75000000000000 0.68916993334119 15.999 14 O 0.02549192404212 0.25000000000000 0.74153485317657 15.999 15 O 0.52549192404212 0.25000000000000 0.75846514682343 15.999 16 O 0.29359951990476 0.75000000000000 0.81083006665881 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.081986649999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.347668379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.253282369999999 Atomic positions (fractional): *1 Li 0.06803317937241 0.25000000000000 0.09683701637423 6.941 > 1 2 Li 0.56803317937241 0.25000000000000 0.40316298362577 6.941 > 2 3 Li 0.43196682062759 0.75000000000000 0.59683701637423 6.941 > 3 4 Li 0.93196682062759 0.75000000000000 0.90316298362577 6.941 > 4 *5 Dy 0.36010606166947 0.25000000000000 0.04803353280305 162.500 > 5 6 Dy 0.86010606166947 0.25000000000000 0.45196646719695 162.500 > 6 7 Dy 0.13989393833053 0.75000000000000 0.54803353280305 162.500 > 7 8 Dy 0.63989393833053 0.75000000000000 0.95196646719695 162.500 > 8 *9 O 0.70640048009524 0.25000000000000 0.18916993334119 15.999 > 9 *10 O 0.47450807595788 0.75000000000000 0.24153485317657 15.999 > 10 11 O 0.97450807595788 0.75000000000000 0.25846514682342 15.999 > 11 12 O 0.20640048009524 0.25000000000000 0.31083006665882 15.999 > 12 13 O 0.79359951990476 0.75000000000000 0.68916993334119 15.999 > 13 14 O 0.02549192404212 0.25000000000000 0.74153485317657 15.999 > 14 15 O 0.52549192404212 0.25000000000000 0.75846514682343 15.999 > 15 16 O 0.29359951990476 0.75000000000000 0.81083006665881 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.081986649999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.390673519999996 0.000000000000000 c 0.000000000000000 0.000000000000000 10.506564739999998 Atomic positions (fractional): *1 Li 0.06803317937241 0.06250000000000 0.04841850818712 6.941 > 1 2 Li 0.06803317937241 0.31250000000000 0.04841850818712 6.941 > 1 3 Li 0.06803317937241 0.56250000000000 0.04841850818712 6.941 > 1 4 Li 0.06803317937241 0.81250000000000 0.04841850818712 6.941 > 1 5 Li 0.06803317937241 0.06250000000000 0.54841850818712 6.941 > 1 6 Li 0.06803317937241 0.31250000000000 0.54841850818712 6.941 > 1 7 Li 0.06803317937241 0.56250000000000 0.54841850818712 6.941 > 1 8 Li 0.06803317937241 0.81250000000000 0.54841850818712 6.941 > 1 9 Li 0.56803317937241 0.06250000000000 0.20158149181288 6.941 > 2 10 Li 0.56803317937241 0.31250000000000 0.20158149181288 6.941 > 2 11 Li 0.56803317937241 0.56250000000000 0.20158149181288 6.941 > 2 12 Li 0.56803317937241 0.81250000000000 0.20158149181288 6.941 > 2 13 Li 0.56803317937241 0.06250000000000 0.70158149181288 6.941 > 2 14 Li 0.56803317937241 0.31250000000000 0.70158149181288 6.941 > 2 15 Li 0.56803317937241 0.56250000000000 0.70158149181288 6.941 > 2 16 Li 0.56803317937241 0.81250000000000 0.70158149181288 6.941 > 2 17 Li 0.43196682062759 0.18750000000000 0.29841850818712 6.941 > 3 18 Li 0.43196682062759 0.43750000000000 0.29841850818712 6.941 > 3 19 Li 0.43196682062759 0.68750000000000 0.29841850818712 6.941 > 3 20 Li 0.43196682062759 0.93750000000000 0.29841850818712 6.941 > 3 21 Li 0.43196682062759 0.18750000000000 0.79841850818712 6.941 > 3 22 Li 0.43196682062759 0.43750000000000 0.79841850818712 6.941 > 3 23 Li 0.43196682062759 0.68750000000000 0.79841850818712 6.941 > 3 24 Li 0.43196682062759 0.93750000000000 0.79841850818712 6.941 > 3 25 Li 0.93196682062759 0.18750000000000 0.45158149181288 6.941 > 4 26 Li 0.93196682062759 0.43750000000000 0.45158149181288 6.941 > 4 27 Li 0.93196682062759 0.68750000000000 0.45158149181288 6.941 > 4 28 Li 0.93196682062759 0.93750000000000 0.45158149181288 6.941 > 4 29 Li 0.93196682062759 0.18750000000000 0.95158149181288 6.941 > 4 30 Li 0.93196682062759 0.43750000000000 0.95158149181288 6.941 > 4 31 Li 0.93196682062759 0.68750000000000 0.95158149181288 6.941 > 4 32 Li 0.93196682062759 0.93750000000000 0.95158149181288 6.941 > 4 *33 Dy 0.36010606166947 0.06250000000000 0.02401676640153 162.500 > 5 34 Dy 0.36010606166947 0.31250000000000 0.02401676640153 162.500 > 5 35 Dy 0.36010606166947 0.56250000000000 0.02401676640153 162.500 > 5 36 Dy 0.36010606166947 0.81250000000000 0.02401676640153 162.500 > 5 37 Dy 0.36010606166947 0.06250000000000 0.52401676640153 162.500 > 5 38 Dy 0.36010606166947 0.31250000000000 0.52401676640153 162.500 > 5 39 Dy 0.36010606166947 0.56250000000000 0.52401676640153 162.500 > 5 40 Dy 0.36010606166947 0.81250000000000 0.52401676640153 162.500 > 5 41 Dy 0.86010606166947 0.06250000000000 0.22598323359847 162.500 > 6 42 Dy 0.86010606166947 0.31250000000000 0.22598323359847 162.500 > 6 43 Dy 0.86010606166947 0.56250000000000 0.22598323359847 162.500 > 6 44 Dy 0.86010606166947 0.81250000000000 0.22598323359847 162.500 > 6 45 Dy 0.86010606166947 0.06250000000000 0.72598323359847 162.500 > 6 46 Dy 0.86010606166947 0.31250000000000 0.72598323359847 162.500 > 6 47 Dy 0.86010606166947 0.56250000000000 0.72598323359847 162.500 > 6 48 Dy 0.86010606166947 0.81250000000000 0.72598323359847 162.500 > 6 49 Dy 0.13989393833053 0.18750000000000 0.27401676640153 162.500 > 7 50 Dy 0.13989393833053 0.43750000000000 0.27401676640153 162.500 > 7 51 Dy 0.13989393833053 0.68750000000000 0.27401676640153 162.500 > 7 52 Dy 0.13989393833053 0.93750000000000 0.27401676640153 162.500 > 7 53 Dy 0.13989393833053 0.18750000000000 0.77401676640153 162.500 > 7 54 Dy 0.13989393833053 0.43750000000000 0.77401676640153 162.500 > 7 55 Dy 0.13989393833053 0.68750000000000 0.77401676640153 162.500 > 7 56 Dy 0.13989393833053 0.93750000000000 0.77401676640153 162.500 > 7 57 Dy 0.63989393833053 0.18750000000000 0.47598323359847 162.500 > 8 58 Dy 0.63989393833053 0.43750000000000 0.47598323359847 162.500 > 8 59 Dy 0.63989393833053 0.68750000000000 0.47598323359847 162.500 > 8 60 Dy 0.63989393833053 0.93750000000000 0.47598323359847 162.500 > 8 61 Dy 0.63989393833053 0.18750000000000 0.97598323359847 162.500 > 8 62 Dy 0.63989393833053 0.43750000000000 0.97598323359847 162.500 > 8 63 Dy 0.63989393833053 0.68750000000000 0.97598323359847 162.500 > 8 64 Dy 0.63989393833053 0.93750000000000 0.97598323359847 162.500 > 8 *65 O 0.70640048009524 0.06250000000000 0.09458496667059 15.999 > 9 66 O 0.70640048009524 0.31250000000000 0.09458496667059 15.999 > 9 67 O 0.70640048009524 0.56250000000000 0.09458496667059 15.999 > 9 68 O 0.70640048009524 0.81250000000000 0.09458496667059 15.999 > 9 69 O 0.70640048009524 0.06250000000000 0.59458496667059 15.999 > 9 70 O 0.70640048009524 0.31250000000000 0.59458496667059 15.999 > 9 71 O 0.70640048009524 0.56250000000000 0.59458496667059 15.999 > 9 72 O 0.70640048009524 0.81250000000000 0.59458496667059 15.999 > 9 *73 O 0.47450807595788 0.18750000000000 0.12076742658829 15.999 > 10 74 O 0.47450807595788 0.43750000000000 0.12076742658829 15.999 > 10 75 O 0.47450807595788 0.68750000000000 0.12076742658829 15.999 > 10 76 O 0.47450807595788 0.93750000000000 0.12076742658829 15.999 > 10 77 O 0.47450807595788 0.18750000000000 0.62076742658829 15.999 > 10 78 O 0.47450807595788 0.43750000000000 0.62076742658829 15.999 > 10 79 O 0.47450807595788 0.68750000000000 0.62076742658829 15.999 > 10 80 O 0.47450807595788 0.93750000000000 0.62076742658829 15.999 > 10 81 O 0.97450807595788 0.18750000000000 0.12923257341171 15.999 > 11 82 O 0.97450807595788 0.43750000000000 0.12923257341171 15.999 > 11 83 O 0.97450807595788 0.68750000000000 0.12923257341171 15.999 > 11 84 O 0.97450807595788 0.93750000000000 0.12923257341171 15.999 > 11 85 O 0.97450807595788 0.18750000000000 0.62923257341171 15.999 > 11 86 O 0.97450807595788 0.43750000000000 0.62923257341171 15.999 > 11 87 O 0.97450807595788 0.68750000000000 0.62923257341171 15.999 > 11 88 O 0.97450807595788 0.93750000000000 0.62923257341171 15.999 > 11 89 O 0.20640048009524 0.06250000000000 0.15541503332941 15.999 > 12 90 O 0.20640048009524 0.31250000000000 0.15541503332941 15.999 > 12 91 O 0.20640048009524 0.56250000000000 0.15541503332941 15.999 > 12 92 O 0.20640048009524 0.81250000000000 0.15541503332941 15.999 > 12 93 O 0.20640048009524 0.06250000000000 0.65541503332941 15.999 > 12 94 O 0.20640048009524 0.31250000000000 0.65541503332941 15.999 > 12 95 O 0.20640048009524 0.56250000000000 0.65541503332941 15.999 > 12 96 O 0.20640048009524 0.81250000000000 0.65541503332941 15.999 > 12 97 O 0.79359951990476 0.18750000000000 0.34458496667059 15.999 > 13 98 O 0.79359951990476 0.43750000000000 0.34458496667059 15.999 > 13 99 O 0.79359951990476 0.68750000000000 0.34458496667059 15.999 > 13 100 O 0.79359951990476 0.93750000000000 0.34458496667059 15.999 > 13 101 O 0.79359951990476 0.18750000000000 0.84458496667059 15.999 > 13 102 O 0.79359951990476 0.43750000000000 0.84458496667059 15.999 > 13 103 O 0.79359951990476 0.68750000000000 0.84458496667059 15.999 > 13 104 O 0.79359951990476 0.93750000000000 0.84458496667059 15.999 > 13 105 O 0.02549192404212 0.06250000000000 0.37076742658829 15.999 > 14 106 O 0.02549192404212 0.31250000000000 0.37076742658829 15.999 > 14 107 O 0.02549192404212 0.56250000000000 0.37076742658829 15.999 > 14 108 O 0.02549192404212 0.81250000000000 0.37076742658829 15.999 > 14 109 O 0.02549192404212 0.06250000000000 0.87076742658829 15.999 > 14 110 O 0.02549192404212 0.31250000000000 0.87076742658829 15.999 > 14 111 O 0.02549192404212 0.56250000000000 0.87076742658829 15.999 > 14 112 O 0.02549192404212 0.81250000000000 0.87076742658829 15.999 > 14 113 O 0.52549192404212 0.06250000000000 0.37923257341171 15.999 > 15 114 O 0.52549192404212 0.31250000000000 0.37923257341171 15.999 > 15 115 O 0.52549192404212 0.56250000000000 0.37923257341171 15.999 > 15 116 O 0.52549192404212 0.81250000000000 0.37923257341171 15.999 > 15 117 O 0.52549192404212 0.06250000000000 0.87923257341171 15.999 > 15 118 O 0.52549192404212 0.31250000000000 0.87923257341171 15.999 > 15 119 O 0.52549192404212 0.56250000000000 0.87923257341171 15.999 > 15 120 O 0.52549192404212 0.81250000000000 0.87923257341171 15.999 > 15 121 O 0.29359951990476 0.18750000000000 0.40541503332941 15.999 > 16 122 O 0.29359951990476 0.43750000000000 0.40541503332941 15.999 > 16 123 O 0.29359951990476 0.68750000000000 0.40541503332941 15.999 > 16 124 O 0.29359951990476 0.93750000000000 0.40541503332941 15.999 > 16 125 O 0.29359951990476 0.18750000000000 0.90541503332941 15.999 > 16 126 O 0.29359951990476 0.43750000000000 0.90541503332941 15.999 > 16 127 O 0.29359951990476 0.68750000000000 0.90541503332941 15.999 > 16 128 O 0.29359951990476 0.93750000000000 0.90541503332941 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8839981 0.0000000 0.0000000 0.0000000 4.0976317 0.0000000 0.0000000 0.0000000 3.6031405 -------------------------- Born effective charges -------------------------- 1 Li 0.9204212 0.0000000 -0.0191594 0.0000000 0.9352041 0.0000000 0.0056680 0.0000000 1.1392243 2 Li 0.9204212 0.0000000 0.0191594 0.0000000 0.9352041 0.0000000 -0.0056680 0.0000000 1.1392243 3 Li 0.9204212 0.0000000 0.0191594 0.0000000 0.9352041 0.0000000 -0.0056680 0.0000000 1.1392243 4 Li 0.9204212 0.0000000 -0.0191594 0.0000000 0.9352041 0.0000000 0.0056680 0.0000000 1.1392243 5 Dy 3.8276780 0.0000000 -0.1610545 0.0000000 4.1682250 0.0000000 -0.3379679 0.0000000 3.2636314 6 Dy 3.8276780 0.0000000 0.1610545 0.0000000 4.1682250 0.0000000 0.3379679 0.0000000 3.2636314 7 Dy 3.8276780 0.0000000 0.1610545 0.0000000 4.1682250 0.0000000 0.3379679 0.0000000 3.2636314 8 Dy 3.8276780 0.0000000 -0.1610545 0.0000000 4.1682250 0.0000000 -0.3379679 0.0000000 3.2636314 9 O -2.3705236 0.0000000 -0.8832985 0.0000000 -2.5995985 0.0000000 -0.9009917 0.0000000 -2.3240524 10 O -2.3775756 0.0000000 0.0034080 0.0000000 -2.5038306 0.0000000 -0.0181821 0.0000000 -2.0788033 11 O -2.3775756 0.0000000 -0.0034080 0.0000000 -2.5038306 0.0000000 0.0181821 0.0000000 -2.0788033 12 O -2.3705236 0.0000000 0.8832985 0.0000000 -2.5995985 0.0000000 0.9009917 0.0000000 -2.3240524 13 O -2.3705236 0.0000000 0.8832985 0.0000000 -2.5995985 0.0000000 0.9009917 0.0000000 -2.3240524 14 O -2.3775756 0.0000000 -0.0034080 0.0000000 -2.5038306 0.0000000 0.0181821 0.0000000 -2.0788033 15 O -2.3775756 0.0000000 0.0034080 0.0000000 -2.5038306 0.0000000 -0.0181821 0.0000000 -2.0788033 16 O -2.3705236 0.0000000 -0.8832985 0.0000000 -2.5995985 0.0000000 -0.9009917 0.0000000 -2.3240524 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.797 Solver_block: 200 / 240 - Time: 1.747 Solver_block: 240 / 240 - Time: 0.774 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.347 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:38:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:38:51]------------------------- 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): [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.081986649999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.347668379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.253282369999999 Atomic positions (fractional): 1 Li 0.06803317937241 0.25000000000000 0.09683701637423 6.941 2 Li 0.56803317937241 0.25000000000000 0.40316298362577 6.941 3 Li 0.43196682062759 0.75000000000000 0.59683701637423 6.941 4 Li 0.93196682062759 0.75000000000000 0.90316298362577 6.941 5 Dy 0.36010606166947 0.25000000000000 0.04803353280305 162.500 6 Dy 0.86010606166947 0.25000000000000 0.45196646719695 162.500 7 Dy 0.13989393833053 0.75000000000000 0.54803353280305 162.500 8 Dy 0.63989393833053 0.75000000000000 0.95196646719695 162.500 9 O 0.70640048009524 0.25000000000000 0.18916993334119 15.999 10 O 0.47450807595788 0.75000000000000 0.24153485317657 15.999 11 O 0.97450807595788 0.75000000000000 0.25846514682342 15.999 12 O 0.20640048009524 0.25000000000000 0.31083006665882 15.999 13 O 0.79359951990476 0.75000000000000 0.68916993334119 15.999 14 O 0.02549192404212 0.25000000000000 0.74153485317657 15.999 15 O 0.52549192404212 0.25000000000000 0.75846514682343 15.999 16 O 0.29359951990476 0.75000000000000 0.81083006665881 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.081986649999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.390673519999996 0.000000000000000 c 0.000000000000000 0.000000000000000 10.506564739999998 Atomic positions (fractional): 1 Li 0.06803317937241 0.06250000000000 0.04841850818712 6.941 > 1 2 Li 0.06803317937241 0.31250000000000 0.04841850818712 6.941 > 1 3 Li 0.06803317937241 0.56250000000000 0.04841850818712 6.941 > 1 4 Li 0.06803317937241 0.81250000000000 0.04841850818712 6.941 > 1 5 Li 0.06803317937241 0.06250000000000 0.54841850818712 6.941 > 1 6 Li 0.06803317937241 0.31250000000000 0.54841850818712 6.941 > 1 7 Li 0.06803317937241 0.56250000000000 0.54841850818712 6.941 > 1 8 Li 0.06803317937241 0.81250000000000 0.54841850818712 6.941 > 1 9 Li 0.56803317937241 0.06250000000000 0.20158149181288 6.941 > 9 10 Li 0.56803317937241 0.31250000000000 0.20158149181288 6.941 > 9 11 Li 0.56803317937241 0.56250000000000 0.20158149181288 6.941 > 9 12 Li 0.56803317937241 0.81250000000000 0.20158149181288 6.941 > 9 13 Li 0.56803317937241 0.06250000000000 0.70158149181288 6.941 > 9 14 Li 0.56803317937241 0.31250000000000 0.70158149181288 6.941 > 9 15 Li 0.56803317937241 0.56250000000000 0.70158149181288 6.941 > 9 16 Li 0.56803317937241 0.81250000000000 0.70158149181288 6.941 > 9 17 Li 0.43196682062759 0.18750000000000 0.29841850818712 6.941 > 17 18 Li 0.43196682062759 0.43750000000000 0.29841850818712 6.941 > 17 19 Li 0.43196682062759 0.68750000000000 0.29841850818712 6.941 > 17 20 Li 0.43196682062759 0.93750000000000 0.29841850818712 6.941 > 17 21 Li 0.43196682062759 0.18750000000000 0.79841850818712 6.941 > 17 22 Li 0.43196682062759 0.43750000000000 0.79841850818712 6.941 > 17 23 Li 0.43196682062759 0.68750000000000 0.79841850818712 6.941 > 17 24 Li 0.43196682062759 0.93750000000000 0.79841850818712 6.941 > 17 25 Li 0.93196682062759 0.18750000000000 0.45158149181288 6.941 > 25 26 Li 0.93196682062759 0.43750000000000 0.45158149181288 6.941 > 25 27 Li 0.93196682062759 0.68750000000000 0.45158149181288 6.941 > 25 28 Li 0.93196682062759 0.93750000000000 0.45158149181288 6.941 > 25 29 Li 0.93196682062759 0.18750000000000 0.95158149181288 6.941 > 25 30 Li 0.93196682062759 0.43750000000000 0.95158149181288 6.941 > 25 31 Li 0.93196682062759 0.68750000000000 0.95158149181288 6.941 > 25 32 Li 0.93196682062759 0.93750000000000 0.95158149181288 6.941 > 25 33 Dy 0.36010606166947 0.06250000000000 0.02401676640153 162.500 > 33 34 Dy 0.36010606166947 0.31250000000000 0.02401676640153 162.500 > 33 35 Dy 0.36010606166947 0.56250000000000 0.02401676640153 162.500 > 33 36 Dy 0.36010606166947 0.81250000000000 0.02401676640153 162.500 > 33 37 Dy 0.36010606166947 0.06250000000000 0.52401676640153 162.500 > 33 38 Dy 0.36010606166947 0.31250000000000 0.52401676640153 162.500 > 33 39 Dy 0.36010606166947 0.56250000000000 0.52401676640153 162.500 > 33 40 Dy 0.36010606166947 0.81250000000000 0.52401676640153 162.500 > 33 41 Dy 0.86010606166947 0.06250000000000 0.22598323359847 162.500 > 41 42 Dy 0.86010606166947 0.31250000000000 0.22598323359847 162.500 > 41 43 Dy 0.86010606166947 0.56250000000000 0.22598323359847 162.500 > 41 44 Dy 0.86010606166947 0.81250000000000 0.22598323359847 162.500 > 41 45 Dy 0.86010606166947 0.06250000000000 0.72598323359847 162.500 > 41 46 Dy 0.86010606166947 0.31250000000000 0.72598323359847 162.500 > 41 47 Dy 0.86010606166947 0.56250000000000 0.72598323359847 162.500 > 41 48 Dy 0.86010606166947 0.81250000000000 0.72598323359847 162.500 > 41 49 Dy 0.13989393833053 0.18750000000000 0.27401676640153 162.500 > 49 50 Dy 0.13989393833053 0.43750000000000 0.27401676640153 162.500 > 49 51 Dy 0.13989393833053 0.68750000000000 0.27401676640153 162.500 > 49 52 Dy 0.13989393833053 0.93750000000000 0.27401676640153 162.500 > 49 53 Dy 0.13989393833053 0.18750000000000 0.77401676640153 162.500 > 49 54 Dy 0.13989393833053 0.43750000000000 0.77401676640153 162.500 > 49 55 Dy 0.13989393833053 0.68750000000000 0.77401676640153 162.500 > 49 56 Dy 0.13989393833053 0.93750000000000 0.77401676640153 162.500 > 49 57 Dy 0.63989393833053 0.18750000000000 0.47598323359847 162.500 > 57 58 Dy 0.63989393833053 0.43750000000000 0.47598323359847 162.500 > 57 59 Dy 0.63989393833053 0.68750000000000 0.47598323359847 162.500 > 57 60 Dy 0.63989393833053 0.93750000000000 0.47598323359847 162.500 > 57 61 Dy 0.63989393833053 0.18750000000000 0.97598323359847 162.500 > 57 62 Dy 0.63989393833053 0.43750000000000 0.97598323359847 162.500 > 57 63 Dy 0.63989393833053 0.68750000000000 0.97598323359847 162.500 > 57 64 Dy 0.63989393833053 0.93750000000000 0.97598323359847 162.500 > 57 65 O 0.70640048009524 0.06250000000000 0.09458496667059 15.999 > 65 66 O 0.70640048009524 0.31250000000000 0.09458496667059 15.999 > 65 67 O 0.70640048009524 0.56250000000000 0.09458496667059 15.999 > 65 68 O 0.70640048009524 0.81250000000000 0.09458496667059 15.999 > 65 69 O 0.70640048009524 0.06250000000000 0.59458496667059 15.999 > 65 70 O 0.70640048009524 0.31250000000000 0.59458496667059 15.999 > 65 71 O 0.70640048009524 0.56250000000000 0.59458496667059 15.999 > 65 72 O 0.70640048009524 0.81250000000000 0.59458496667059 15.999 > 65 73 O 0.47450807595788 0.18750000000000 0.12076742658829 15.999 > 73 74 O 0.47450807595788 0.43750000000000 0.12076742658829 15.999 > 73 75 O 0.47450807595788 0.68750000000000 0.12076742658829 15.999 > 73 76 O 0.47450807595788 0.93750000000000 0.12076742658829 15.999 > 73 77 O 0.47450807595788 0.18750000000000 0.62076742658829 15.999 > 73 78 O 0.47450807595788 0.43750000000000 0.62076742658829 15.999 > 73 79 O 0.47450807595788 0.68750000000000 0.62076742658829 15.999 > 73 80 O 0.47450807595788 0.93750000000000 0.62076742658829 15.999 > 73 81 O 0.97450807595788 0.18750000000000 0.12923257341171 15.999 > 81 82 O 0.97450807595788 0.43750000000000 0.12923257341171 15.999 > 81 83 O 0.97450807595788 0.68750000000000 0.12923257341171 15.999 > 81 84 O 0.97450807595788 0.93750000000000 0.12923257341171 15.999 > 81 85 O 0.97450807595788 0.18750000000000 0.62923257341171 15.999 > 81 86 O 0.97450807595788 0.43750000000000 0.62923257341171 15.999 > 81 87 O 0.97450807595788 0.68750000000000 0.62923257341171 15.999 > 81 88 O 0.97450807595788 0.93750000000000 0.62923257341171 15.999 > 81 89 O 0.20640048009524 0.06250000000000 0.15541503332941 15.999 > 89 90 O 0.20640048009524 0.31250000000000 0.15541503332941 15.999 > 89 91 O 0.20640048009524 0.56250000000000 0.15541503332941 15.999 > 89 92 O 0.20640048009524 0.81250000000000 0.15541503332941 15.999 > 89 93 O 0.20640048009524 0.06250000000000 0.65541503332941 15.999 > 89 94 O 0.20640048009524 0.31250000000000 0.65541503332941 15.999 > 89 95 O 0.20640048009524 0.56250000000000 0.65541503332941 15.999 > 89 96 O 0.20640048009524 0.81250000000000 0.65541503332941 15.999 > 89 97 O 0.79359951990476 0.18750000000000 0.34458496667059 15.999 > 97 98 O 0.79359951990476 0.43750000000000 0.34458496667059 15.999 > 97 99 O 0.79359951990476 0.68750000000000 0.34458496667059 15.999 > 97 100 O 0.79359951990476 0.93750000000000 0.34458496667059 15.999 > 97 101 O 0.79359951990476 0.18750000000000 0.84458496667059 15.999 > 97 102 O 0.79359951990476 0.43750000000000 0.84458496667059 15.999 > 97 103 O 0.79359951990476 0.68750000000000 0.84458496667059 15.999 > 97 104 O 0.79359951990476 0.93750000000000 0.84458496667059 15.999 > 97 105 O 0.02549192404212 0.06250000000000 0.37076742658829 15.999 > 105 106 O 0.02549192404212 0.31250000000000 0.37076742658829 15.999 > 105 107 O 0.02549192404212 0.56250000000000 0.37076742658829 15.999 > 105 108 O 0.02549192404212 0.81250000000000 0.37076742658829 15.999 > 105 109 O 0.02549192404212 0.06250000000000 0.87076742658829 15.999 > 105 110 O 0.02549192404212 0.31250000000000 0.87076742658829 15.999 > 105 111 O 0.02549192404212 0.56250000000000 0.87076742658829 15.999 > 105 112 O 0.02549192404212 0.81250000000000 0.87076742658829 15.999 > 105 113 O 0.52549192404212 0.06250000000000 0.37923257341171 15.999 > 113 114 O 0.52549192404212 0.31250000000000 0.37923257341171 15.999 > 113 115 O 0.52549192404212 0.56250000000000 0.37923257341171 15.999 > 113 116 O 0.52549192404212 0.81250000000000 0.37923257341171 15.999 > 113 117 O 0.52549192404212 0.06250000000000 0.87923257341171 15.999 > 113 118 O 0.52549192404212 0.31250000000000 0.87923257341171 15.999 > 113 119 O 0.52549192404212 0.56250000000000 0.87923257341171 15.999 > 113 120 O 0.52549192404212 0.81250000000000 0.87923257341171 15.999 > 113 121 O 0.29359951990476 0.18750000000000 0.40541503332941 15.999 > 121 122 O 0.29359951990476 0.43750000000000 0.40541503332941 15.999 > 121 123 O 0.29359951990476 0.68750000000000 0.40541503332941 15.999 > 121 124 O 0.29359951990476 0.93750000000000 0.40541503332941 15.999 > 121 125 O 0.29359951990476 0.18750000000000 0.90541503332941 15.999 > 121 126 O 0.29359951990476 0.43750000000000 0.90541503332941 15.999 > 121 127 O 0.29359951990476 0.68750000000000 0.90541503332941 15.999 > 121 128 O 0.29359951990476 0.93750000000000 0.90541503332941 15.999 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8839981 0.0000000 0.0000000 0.0000000 4.0976317 0.0000000 0.0000000 0.0000000 3.6031405 -------------------------- Born effective charges -------------------------- 1 Li 0.9204212 0.0000000 -0.0191594 0.0000000 0.9352041 0.0000000 0.0056680 0.0000000 1.1392243 2 Li 0.9204212 0.0000000 0.0191594 0.0000000 0.9352041 0.0000000 -0.0056680 0.0000000 1.1392243 3 Li 0.9204212 0.0000000 0.0191594 0.0000000 0.9352041 0.0000000 -0.0056680 0.0000000 1.1392243 4 Li 0.9204212 0.0000000 -0.0191594 0.0000000 0.9352041 0.0000000 0.0056680 0.0000000 1.1392243 5 Dy 3.8276780 0.0000000 -0.1610545 0.0000000 4.1682250 0.0000000 -0.3379679 0.0000000 3.2636314 6 Dy 3.8276780 0.0000000 0.1610545 0.0000000 4.1682250 0.0000000 0.3379679 0.0000000 3.2636314 7 Dy 3.8276780 0.0000000 0.1610545 0.0000000 4.1682250 0.0000000 0.3379679 0.0000000 3.2636314 8 Dy 3.8276780 0.0000000 -0.1610545 0.0000000 4.1682250 0.0000000 -0.3379679 0.0000000 3.2636314 9 O -2.3705236 0.0000000 -0.8832985 0.0000000 -2.5995985 0.0000000 -0.9009917 0.0000000 -2.3240524 10 O -2.3775756 0.0000000 0.0034080 0.0000000 -2.5038306 0.0000000 -0.0181821 0.0000000 -2.0788033 11 O -2.3775756 0.0000000 -0.0034080 0.0000000 -2.5038306 0.0000000 0.0181821 0.0000000 -2.0788033 12 O -2.3705236 0.0000000 0.8832985 0.0000000 -2.5995985 0.0000000 0.9009917 0.0000000 -2.3240524 13 O -2.3705236 0.0000000 0.8832985 0.0000000 -2.5995985 0.0000000 0.9009917 0.0000000 -2.3240524 14 O -2.3775756 0.0000000 -0.0034080 0.0000000 -2.5038306 0.0000000 0.0181821 0.0000000 -2.0788033 15 O -2.3775756 0.0000000 0.0034080 0.0000000 -2.5038306 0.0000000 -0.0181821 0.0000000 -2.0788033 16 O -2.3705236 0.0000000 -0.8832985 0.0000000 -2.5995985 0.0000000 -0.9009917 0.0000000 -2.3240524 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) 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 2026-01-09 04:39:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:39:08]------------------------- 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): [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.081986649999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.347668379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.253282369999999 Atomic positions (fractional): 1 Li 0.06803317937241 0.25000000000000 0.09683701637423 6.941 2 Li 0.56803317937241 0.25000000000000 0.40316298362577 6.941 3 Li 0.43196682062759 0.75000000000000 0.59683701637423 6.941 4 Li 0.93196682062759 0.75000000000000 0.90316298362577 6.941 5 Dy 0.36010606166947 0.25000000000000 0.04803353280305 162.500 6 Dy 0.86010606166947 0.25000000000000 0.45196646719695 162.500 7 Dy 0.13989393833053 0.75000000000000 0.54803353280305 162.500 8 Dy 0.63989393833053 0.75000000000000 0.95196646719695 162.500 9 O 0.70640048009524 0.25000000000000 0.18916993334119 15.999 10 O 0.47450807595788 0.75000000000000 0.24153485317657 15.999 11 O 0.97450807595788 0.75000000000000 0.25846514682342 15.999 12 O 0.20640048009524 0.25000000000000 0.31083006665882 15.999 13 O 0.79359951990476 0.75000000000000 0.68916993334119 15.999 14 O 0.02549192404212 0.25000000000000 0.74153485317657 15.999 15 O 0.52549192404212 0.25000000000000 0.75846514682343 15.999 16 O 0.29359951990476 0.75000000000000 0.81083006665881 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.081986649999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.390673519999996 0.000000000000000 c 0.000000000000000 0.000000000000000 10.506564739999998 Atomic positions (fractional): 1 Li 0.06803317937241 0.06250000000000 0.04841850818712 6.941 > 1 2 Li 0.06803317937241 0.31250000000000 0.04841850818712 6.941 > 1 3 Li 0.06803317937241 0.56250000000000 0.04841850818712 6.941 > 1 4 Li 0.06803317937241 0.81250000000000 0.04841850818712 6.941 > 1 5 Li 0.06803317937241 0.06250000000000 0.54841850818712 6.941 > 1 6 Li 0.06803317937241 0.31250000000000 0.54841850818712 6.941 > 1 7 Li 0.06803317937241 0.56250000000000 0.54841850818712 6.941 > 1 8 Li 0.06803317937241 0.81250000000000 0.54841850818712 6.941 > 1 9 Li 0.56803317937241 0.06250000000000 0.20158149181288 6.941 > 9 10 Li 0.56803317937241 0.31250000000000 0.20158149181288 6.941 > 9 11 Li 0.56803317937241 0.56250000000000 0.20158149181288 6.941 > 9 12 Li 0.56803317937241 0.81250000000000 0.20158149181288 6.941 > 9 13 Li 0.56803317937241 0.06250000000000 0.70158149181288 6.941 > 9 14 Li 0.56803317937241 0.31250000000000 0.70158149181288 6.941 > 9 15 Li 0.56803317937241 0.56250000000000 0.70158149181288 6.941 > 9 16 Li 0.56803317937241 0.81250000000000 0.70158149181288 6.941 > 9 17 Li 0.43196682062759 0.18750000000000 0.29841850818712 6.941 > 17 18 Li 0.43196682062759 0.43750000000000 0.29841850818712 6.941 > 17 19 Li 0.43196682062759 0.68750000000000 0.29841850818712 6.941 > 17 20 Li 0.43196682062759 0.93750000000000 0.29841850818712 6.941 > 17 21 Li 0.43196682062759 0.18750000000000 0.79841850818712 6.941 > 17 22 Li 0.43196682062759 0.43750000000000 0.79841850818712 6.941 > 17 23 Li 0.43196682062759 0.68750000000000 0.79841850818712 6.941 > 17 24 Li 0.43196682062759 0.93750000000000 0.79841850818712 6.941 > 17 25 Li 0.93196682062759 0.18750000000000 0.45158149181288 6.941 > 25 26 Li 0.93196682062759 0.43750000000000 0.45158149181288 6.941 > 25 27 Li 0.93196682062759 0.68750000000000 0.45158149181288 6.941 > 25 28 Li 0.93196682062759 0.93750000000000 0.45158149181288 6.941 > 25 29 Li 0.93196682062759 0.18750000000000 0.95158149181288 6.941 > 25 30 Li 0.93196682062759 0.43750000000000 0.95158149181288 6.941 > 25 31 Li 0.93196682062759 0.68750000000000 0.95158149181288 6.941 > 25 32 Li 0.93196682062759 0.93750000000000 0.95158149181288 6.941 > 25 33 Dy 0.36010606166947 0.06250000000000 0.02401676640153 162.500 > 33 34 Dy 0.36010606166947 0.31250000000000 0.02401676640153 162.500 > 33 35 Dy 0.36010606166947 0.56250000000000 0.02401676640153 162.500 > 33 36 Dy 0.36010606166947 0.81250000000000 0.02401676640153 162.500 > 33 37 Dy 0.36010606166947 0.06250000000000 0.52401676640153 162.500 > 33 38 Dy 0.36010606166947 0.31250000000000 0.52401676640153 162.500 > 33 39 Dy 0.36010606166947 0.56250000000000 0.52401676640153 162.500 > 33 40 Dy 0.36010606166947 0.81250000000000 0.52401676640153 162.500 > 33 41 Dy 0.86010606166947 0.06250000000000 0.22598323359847 162.500 > 41 42 Dy 0.86010606166947 0.31250000000000 0.22598323359847 162.500 > 41 43 Dy 0.86010606166947 0.56250000000000 0.22598323359847 162.500 > 41 44 Dy 0.86010606166947 0.81250000000000 0.22598323359847 162.500 > 41 45 Dy 0.86010606166947 0.06250000000000 0.72598323359847 162.500 > 41 46 Dy 0.86010606166947 0.31250000000000 0.72598323359847 162.500 > 41 47 Dy 0.86010606166947 0.56250000000000 0.72598323359847 162.500 > 41 48 Dy 0.86010606166947 0.81250000000000 0.72598323359847 162.500 > 41 49 Dy 0.13989393833053 0.18750000000000 0.27401676640153 162.500 > 49 50 Dy 0.13989393833053 0.43750000000000 0.27401676640153 162.500 > 49 51 Dy 0.13989393833053 0.68750000000000 0.27401676640153 162.500 > 49 52 Dy 0.13989393833053 0.93750000000000 0.27401676640153 162.500 > 49 53 Dy 0.13989393833053 0.18750000000000 0.77401676640153 162.500 > 49 54 Dy 0.13989393833053 0.43750000000000 0.77401676640153 162.500 > 49 55 Dy 0.13989393833053 0.68750000000000 0.77401676640153 162.500 > 49 56 Dy 0.13989393833053 0.93750000000000 0.77401676640153 162.500 > 49 57 Dy 0.63989393833053 0.18750000000000 0.47598323359847 162.500 > 57 58 Dy 0.63989393833053 0.43750000000000 0.47598323359847 162.500 > 57 59 Dy 0.63989393833053 0.68750000000000 0.47598323359847 162.500 > 57 60 Dy 0.63989393833053 0.93750000000000 0.47598323359847 162.500 > 57 61 Dy 0.63989393833053 0.18750000000000 0.97598323359847 162.500 > 57 62 Dy 0.63989393833053 0.43750000000000 0.97598323359847 162.500 > 57 63 Dy 0.63989393833053 0.68750000000000 0.97598323359847 162.500 > 57 64 Dy 0.63989393833053 0.93750000000000 0.97598323359847 162.500 > 57 65 O 0.70640048009524 0.06250000000000 0.09458496667059 15.999 > 65 66 O 0.70640048009524 0.31250000000000 0.09458496667059 15.999 > 65 67 O 0.70640048009524 0.56250000000000 0.09458496667059 15.999 > 65 68 O 0.70640048009524 0.81250000000000 0.09458496667059 15.999 > 65 69 O 0.70640048009524 0.06250000000000 0.59458496667059 15.999 > 65 70 O 0.70640048009524 0.31250000000000 0.59458496667059 15.999 > 65 71 O 0.70640048009524 0.56250000000000 0.59458496667059 15.999 > 65 72 O 0.70640048009524 0.81250000000000 0.59458496667059 15.999 > 65 73 O 0.47450807595788 0.18750000000000 0.12076742658829 15.999 > 73 74 O 0.47450807595788 0.43750000000000 0.12076742658829 15.999 > 73 75 O 0.47450807595788 0.68750000000000 0.12076742658829 15.999 > 73 76 O 0.47450807595788 0.93750000000000 0.12076742658829 15.999 > 73 77 O 0.47450807595788 0.18750000000000 0.62076742658829 15.999 > 73 78 O 0.47450807595788 0.43750000000000 0.62076742658829 15.999 > 73 79 O 0.47450807595788 0.68750000000000 0.62076742658829 15.999 > 73 80 O 0.47450807595788 0.93750000000000 0.62076742658829 15.999 > 73 81 O 0.97450807595788 0.18750000000000 0.12923257341171 15.999 > 81 82 O 0.97450807595788 0.43750000000000 0.12923257341171 15.999 > 81 83 O 0.97450807595788 0.68750000000000 0.12923257341171 15.999 > 81 84 O 0.97450807595788 0.93750000000000 0.12923257341171 15.999 > 81 85 O 0.97450807595788 0.18750000000000 0.62923257341171 15.999 > 81 86 O 0.97450807595788 0.43750000000000 0.62923257341171 15.999 > 81 87 O 0.97450807595788 0.68750000000000 0.62923257341171 15.999 > 81 88 O 0.97450807595788 0.93750000000000 0.62923257341171 15.999 > 81 89 O 0.20640048009524 0.06250000000000 0.15541503332941 15.999 > 89 90 O 0.20640048009524 0.31250000000000 0.15541503332941 15.999 > 89 91 O 0.20640048009524 0.56250000000000 0.15541503332941 15.999 > 89 92 O 0.20640048009524 0.81250000000000 0.15541503332941 15.999 > 89 93 O 0.20640048009524 0.06250000000000 0.65541503332941 15.999 > 89 94 O 0.20640048009524 0.31250000000000 0.65541503332941 15.999 > 89 95 O 0.20640048009524 0.56250000000000 0.65541503332941 15.999 > 89 96 O 0.20640048009524 0.81250000000000 0.65541503332941 15.999 > 89 97 O 0.79359951990476 0.18750000000000 0.34458496667059 15.999 > 97 98 O 0.79359951990476 0.43750000000000 0.34458496667059 15.999 > 97 99 O 0.79359951990476 0.68750000000000 0.34458496667059 15.999 > 97 100 O 0.79359951990476 0.93750000000000 0.34458496667059 15.999 > 97 101 O 0.79359951990476 0.18750000000000 0.84458496667059 15.999 > 97 102 O 0.79359951990476 0.43750000000000 0.84458496667059 15.999 > 97 103 O 0.79359951990476 0.68750000000000 0.84458496667059 15.999 > 97 104 O 0.79359951990476 0.93750000000000 0.84458496667059 15.999 > 97 105 O 0.02549192404212 0.06250000000000 0.37076742658829 15.999 > 105 106 O 0.02549192404212 0.31250000000000 0.37076742658829 15.999 > 105 107 O 0.02549192404212 0.56250000000000 0.37076742658829 15.999 > 105 108 O 0.02549192404212 0.81250000000000 0.37076742658829 15.999 > 105 109 O 0.02549192404212 0.06250000000000 0.87076742658829 15.999 > 105 110 O 0.02549192404212 0.31250000000000 0.87076742658829 15.999 > 105 111 O 0.02549192404212 0.56250000000000 0.87076742658829 15.999 > 105 112 O 0.02549192404212 0.81250000000000 0.87076742658829 15.999 > 105 113 O 0.52549192404212 0.06250000000000 0.37923257341171 15.999 > 113 114 O 0.52549192404212 0.31250000000000 0.37923257341171 15.999 > 113 115 O 0.52549192404212 0.56250000000000 0.37923257341171 15.999 > 113 116 O 0.52549192404212 0.81250000000000 0.37923257341171 15.999 > 113 117 O 0.52549192404212 0.06250000000000 0.87923257341171 15.999 > 113 118 O 0.52549192404212 0.31250000000000 0.87923257341171 15.999 > 113 119 O 0.52549192404212 0.56250000000000 0.87923257341171 15.999 > 113 120 O 0.52549192404212 0.81250000000000 0.87923257341171 15.999 > 113 121 O 0.29359951990476 0.18750000000000 0.40541503332941 15.999 > 121 122 O 0.29359951990476 0.43750000000000 0.40541503332941 15.999 > 121 123 O 0.29359951990476 0.68750000000000 0.40541503332941 15.999 > 121 124 O 0.29359951990476 0.93750000000000 0.40541503332941 15.999 > 121 125 O 0.29359951990476 0.18750000000000 0.90541503332941 15.999 > 121 126 O 0.29359951990476 0.43750000000000 0.90541503332941 15.999 > 121 127 O 0.29359951990476 0.68750000000000 0.90541503332941 15.999 > 121 128 O 0.29359951990476 0.93750000000000 0.90541503332941 15.999 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8839981 0.0000000 0.0000000 0.0000000 4.0976317 0.0000000 0.0000000 0.0000000 3.6031405 -------------------------- Born effective charges -------------------------- 1 Li 0.9204212 0.0000000 -0.0191594 0.0000000 0.9352041 0.0000000 0.0056680 0.0000000 1.1392243 2 Li 0.9204212 0.0000000 0.0191594 0.0000000 0.9352041 0.0000000 -0.0056680 0.0000000 1.1392243 3 Li 0.9204212 0.0000000 0.0191594 0.0000000 0.9352041 0.0000000 -0.0056680 0.0000000 1.1392243 4 Li 0.9204212 0.0000000 -0.0191594 0.0000000 0.9352041 0.0000000 0.0056680 0.0000000 1.1392243 5 Dy 3.8276780 0.0000000 -0.1610545 0.0000000 4.1682250 0.0000000 -0.3379679 0.0000000 3.2636314 6 Dy 3.8276780 0.0000000 0.1610545 0.0000000 4.1682250 0.0000000 0.3379679 0.0000000 3.2636314 7 Dy 3.8276780 0.0000000 0.1610545 0.0000000 4.1682250 0.0000000 0.3379679 0.0000000 3.2636314 8 Dy 3.8276780 0.0000000 -0.1610545 0.0000000 4.1682250 0.0000000 -0.3379679 0.0000000 3.2636314 9 O -2.3705236 0.0000000 -0.8832985 0.0000000 -2.5995985 0.0000000 -0.9009917 0.0000000 -2.3240524 10 O -2.3775756 0.0000000 0.0034080 0.0000000 -2.5038306 0.0000000 -0.0181821 0.0000000 -2.0788033 11 O -2.3775756 0.0000000 -0.0034080 0.0000000 -2.5038306 0.0000000 0.0181821 0.0000000 -2.0788033 12 O -2.3705236 0.0000000 0.8832985 0.0000000 -2.5995985 0.0000000 0.9009917 0.0000000 -2.3240524 13 O -2.3705236 0.0000000 0.8832985 0.0000000 -2.5995985 0.0000000 0.9009917 0.0000000 -2.3240524 14 O -2.3775756 0.0000000 -0.0034080 0.0000000 -2.5038306 0.0000000 0.0181821 0.0000000 -2.0788033 15 O -2.3775756 0.0000000 0.0034080 0.0000000 -2.5038306 0.0000000 -0.0181821 0.0000000 -2.0788033 16 O -2.3705236 0.0000000 -0.8832985 0.0000000 -2.5995985 0.0000000 -0.9009917 0.0000000 -2.3240524 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 15 10 ] 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: 0.72, Number of G-points: 301, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 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 1.629 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.284 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 8.713 ( 0.000 0.000 0.000) 0.000 9.100 ( 0.000 0.000 0.000) 0.000 9.425 ( 0.000 0.000 0.000) 0.000 9.866 ( 0.000 0.000 0.000) 0.000 10.308 ( 0.000 0.000 0.000) 0.000 10.612 ( 0.000 0.000 0.000) 0.000 10.621 ( 0.000 0.000 0.000) 0.000 10.649 ( 0.000 0.000 0.000) 0.000 11.341 ( 0.000 0.000 0.000) 0.000 11.588 ( 0.000 0.000 0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 11.701 ( 0.000 0.000 0.000) 0.000 11.771 ( 0.000 0.000 0.000) 0.000 11.792 ( 0.000 0.000 0.000) 0.000 11.846 ( 0.000 0.000 0.000) 0.000 12.231 ( 0.000 0.000 0.000) 0.000 12.746 ( 0.000 0.000 0.000) 0.000 14.320 ( 0.000 0.000 0.000) 0.000 14.529 ( 0.000 0.000 0.000) 0.000 14.932 ( 0.000 0.000 0.000) 0.000 14.996 ( 0.000 0.000 0.000) 0.000 15.349 ( 0.000 0.000 0.000) 0.000 16.935 ( 0.000 0.000 0.000) 0.000 17.980 ( 0.000 0.000 0.000) 0.000 18.185 ( 0.000 0.000 0.000) 0.000 18.402 ( 0.000 0.000 0.000) 0.000 18.424 ( 0.000 0.000 0.000) 0.000 20.200 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 24.961 0.000 0.000) 24.961 0.612 ( 33.169 0.000 0.000) 33.169 1.036 ( 56.612 0.000 0.000) 56.612 1.522 ( -11.098 0.000 0.000) 11.098 2.058 ( -15.562 0.000 0.000) 15.562 2.455 ( 5.125 0.000 0.000) 5.125 2.724 ( -2.516 0.000 0.000) 2.516 3.688 ( 11.923 0.000 0.000) 11.923 3.733 ( -37.734 0.000 0.000) 37.734 4.396 ( -7.457 0.000 0.000) 7.457 4.559 ( 3.229 0.000 0.000) 3.229 4.606 ( 9.387 0.000 0.000) 9.387 6.071 ( 0.270 0.000 0.000) 0.270 6.090 ( -0.196 0.000 0.000) 0.196 6.958 ( 7.798 0.000 0.000) 7.798 7.277 ( -1.020 0.000 0.000) 1.020 7.691 ( 2.951 0.000 0.000) 2.951 7.962 ( -4.053 0.000 0.000) 4.053 8.691 ( 0.717 0.000 0.000) 0.717 8.714 ( 0.011 0.000 0.000) 0.011 8.828 ( -1.093 0.000 0.000) 1.093 9.004 ( -7.902 0.000 0.000) 7.902 9.541 ( 10.495 0.000 0.000) 10.495 10.210 ( -9.665 0.000 0.000) 9.665 10.625 ( 0.471 0.000 0.000) 0.471 10.649 ( -0.063 0.000 0.000) 0.063 10.652 ( 4.072 0.000 0.000) 4.072 10.769 ( 2.355 0.000 0.000) 2.355 11.359 ( 1.949 0.000 0.000) 1.949 11.554 ( -3.378 0.000 0.000) 3.378 11.635 ( 0.309 0.000 0.000) 0.309 11.763 ( -2.975 0.000 0.000) 2.975 11.764 ( 6.436 0.000 0.000) 6.436 11.788 ( 1.557 0.000 0.000) 1.557 11.843 ( -0.282 0.000 0.000) 0.282 12.208 ( -5.095 0.000 0.000) 5.095 14.341 ( 2.220 0.000 0.000) 2.220 14.508 ( -2.198 0.000 0.000) 2.198 14.943 ( 1.082 0.000 0.000) 1.082 14.994 ( -0.291 0.000 0.000) 0.291 15.358 ( 0.939 0.000 0.000) 0.939 15.448 ( -1.376 0.000 0.000) 1.376 17.774 ( 1.843 0.000 0.000) 1.843 17.953 ( -2.811 0.000 0.000) 2.811 18.411 ( 0.797 0.000 0.000) 0.797 18.427 ( 0.268 0.000 0.000) 0.268 20.122 ( 0.877 0.000 0.000) 0.877 20.192 ( -0.892 0.000 0.000) 0.892 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 22.262 0.000 0.000) 22.262 1.184 ( 29.940 0.000 0.000) 29.940 1.255 ( -17.901 0.000 0.000) 17.901 1.676 ( -23.201 0.000 0.000) 23.201 2.044 ( 52.121 0.000 0.000) 52.121 2.560 ( 5.983 0.000 0.000) 5.983 2.658 ( -4.681 0.000 0.000) 4.681 2.957 ( -47.533 0.000 0.000) 47.533 3.944 ( 15.304 0.000 0.000) 15.304 4.207 ( -13.045 0.000 0.000) 13.045 4.631 ( 4.083 0.000 0.000) 4.083 4.679 ( -0.346 0.000 0.000) 0.346 6.077 ( 0.405 0.000 0.000) 0.405 6.085 ( -0.360 0.000 0.000) 0.360 7.116 ( 8.446 0.000 0.000) 8.446 7.233 ( -4.294 0.000 0.000) 4.294 7.766 ( 5.189 0.000 0.000) 5.189 7.869 ( -5.835 0.000 0.000) 5.835 8.705 ( 0.631 0.000 0.000) 0.631 8.712 ( -0.216 0.000 0.000) 0.216 8.820 ( 0.885 0.000 0.000) 0.885 8.876 ( -5.434 0.000 0.000) 5.434 9.758 ( 13.040 0.000 0.000) 13.040 9.998 ( -13.096 0.000 0.000) 13.096 10.636 ( 0.616 0.000 0.000) 0.616 10.645 ( -0.370 0.000 0.000) 0.370 10.736 ( 4.433 0.000 0.000) 4.433 10.787 ( -0.889 0.000 0.000) 0.889 11.410 ( 3.568 0.000 0.000) 3.568 11.482 ( -4.263 0.000 0.000) 4.263 11.653 ( 1.746 0.000 0.000) 1.746 11.700 ( -3.430 0.000 0.000) 3.430 11.816 ( 1.349 0.000 0.000) 1.349 11.834 ( -0.744 0.000 0.000) 0.744 11.913 ( 9.401 0.000 0.000) 9.401 12.081 ( -8.641 0.000 0.000) 8.641 14.394 ( 3.393 0.000 0.000) 3.393 14.456 ( -3.359 0.000 0.000) 3.359 14.966 ( 1.235 0.000 0.000) 1.235 14.984 ( -0.778 0.000 0.000) 0.778 15.382 ( 1.714 0.000 0.000) 1.714 15.417 ( -1.981 0.000 0.000) 1.981 17.821 ( 3.359 0.000 0.000) 3.359 17.889 ( -3.915 0.000 0.000) 3.915 18.425 ( 0.610 0.000 0.000) 0.610 18.430 ( 0.006 0.000 0.000) 0.006 20.143 ( 1.431 0.000 0.000) 1.431 20.170 ( -1.440 0.000 0.000) 1.440 ======================= Grid point 5 (4/144) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 27.107 0.000) 27.107 0.550 ( 0.000 28.600 0.000) 28.600 1.194 ( 0.000 58.437 0.000) 58.437 1.982 ( 0.000 30.682 0.000) 30.682 2.211 ( 0.000 0.742 0.000) 0.742 2.565 ( 0.000 14.999 0.000) 14.999 2.967 ( 0.000 20.707 0.000) 20.707 3.449 ( 0.000 2.640 0.000) 2.640 4.255 ( 0.000 0.847 0.000) 0.847 4.379 ( 0.000 2.554 0.000) 2.554 4.437 ( 0.000 -2.598 0.000) 2.598 4.537 ( 0.000 0.768 0.000) 0.768 6.117 ( 0.000 1.610 0.000) 1.610 6.147 ( 0.000 7.669 0.000) 7.669 6.762 ( 0.000 -9.687 0.000) 9.687 7.127 ( 0.000 -1.121 0.000) 1.121 7.372 ( 0.000 8.860 0.000) 8.860 8.214 ( 0.000 19.436 0.000) 19.436 8.738 ( 0.000 1.834 0.000) 1.834 8.799 ( 0.000 6.104 0.000) 6.104 9.271 ( 0.000 18.245 0.000) 18.245 9.447 ( 0.000 2.225 0.000) 2.225 9.836 ( 0.000 -0.554 0.000) 0.554 10.301 ( 0.000 -0.778 0.000) 0.778 10.604 ( 0.000 -0.724 0.000) 0.724 10.627 ( 0.000 0.040 0.000) 0.040 10.652 ( 0.000 -0.971 0.000) 0.971 10.859 ( 0.000 -8.712 0.000) 8.712 10.939 ( 0.000 -25.732 0.000) 25.732 11.578 ( 0.000 -5.477 0.000) 5.477 11.731 ( 0.000 -3.188 0.000) 3.188 11.816 ( 0.000 1.860 0.000) 1.860 11.922 ( 0.000 7.510 0.000) 7.510 11.984 ( 0.000 15.947 0.000) 15.947 12.328 ( 0.000 8.269 0.000) 8.269 12.789 ( 0.000 4.781 0.000) 4.781 14.316 ( 0.000 -0.625 0.000) 0.625 14.519 ( 0.000 -0.990 0.000) 0.990 14.891 ( 0.000 -4.222 0.000) 4.222 14.956 ( 0.000 -3.821 0.000) 3.821 15.379 ( 0.000 3.028 0.000) 3.028 16.941 ( 0.000 0.558 0.000) 0.558 17.440 ( 0.000 -2.148 0.000) 2.148 17.941 ( 0.000 -3.881 0.000) 3.881 18.114 ( 0.000 -6.926 0.000) 6.926 18.379 ( 0.000 -2.307 0.000) 2.307 18.409 ( 0.000 -1.520 0.000) 1.520 20.089 ( 0.000 -10.746 0.000) 10.746 ======================= Grid point 6 (5/144) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 23.990 18.545 0.000) 30.322 0.920 ( 26.011 21.096 0.000) 33.490 1.457 ( 30.630 43.529 0.000) 53.225 1.872 ( -11.059 29.667 0.000) 31.661 2.077 ( -13.855 2.481 0.000) 14.075 2.625 ( 5.590 16.084 0.000) 17.028 2.944 ( -2.459 20.641 0.000) 20.787 3.622 ( 15.276 -1.441 0.000) 15.344 3.787 ( -34.875 5.666 0.000) 35.332 4.368 ( -7.385 -2.553 0.000) 7.814 4.557 ( 2.474 0.165 0.000) 2.480 4.600 ( 8.579 -0.382 0.000) 8.587 6.117 ( 0.083 1.941 0.000) 1.942 6.138 ( -0.771 6.333 0.000) 6.380 6.840 ( 7.555 -8.938 0.000) 11.703 7.113 ( -1.071 -3.969 0.000) 4.111 7.600 ( 19.324 2.669 0.000) 19.508 8.209 ( -0.732 21.508 0.000) 21.521 8.672 ( -6.390 -1.458 0.000) 6.554 8.761 ( -4.416 6.768 0.000) 8.081 9.248 ( -1.282 21.799 0.000) 21.837 9.541 ( 9.005 -0.047 0.000) 9.005 9.630 ( -18.807 20.476 0.000) 27.803 10.233 ( -9.615 0.936 0.000) 9.660 10.574 ( -1.456 -8.668 0.000) 8.789 10.633 ( 0.680 -0.334 0.000) 0.757 10.669 ( 0.530 1.330 0.000) 1.432 10.691 ( -10.795 -5.812 0.000) 12.260 11.042 ( 10.241 -18.372 0.000) 21.033 11.592 ( 1.587 -4.893 0.000) 5.144 11.693 ( -6.444 -2.553 0.000) 6.931 11.772 ( -3.544 0.878 0.000) 3.651 11.917 ( -0.384 8.321 0.000) 8.330 12.024 ( 4.056 14.917 0.000) 15.458 12.148 ( -23.618 27.040 0.000) 35.902 12.356 ( -9.800 13.792 0.000) 16.919 14.340 ( 2.310 -0.386 0.000) 2.342 14.500 ( -2.053 -0.856 0.000) 2.225 14.902 ( 1.103 -4.246 0.000) 4.387 14.958 ( -0.088 -3.884 0.000) 3.885 15.395 ( 1.874 3.789 0.000) 4.227 15.871 ( -32.370 28.243 0.000) 42.959 17.743 ( 3.434 -2.911 0.000) 4.501 17.917 ( -2.512 -3.585 0.000) 4.378 18.350 ( 1.642 -8.046 0.000) 8.212 18.382 ( 0.271 -2.798 0.000) 2.811 19.291 ( 50.828 -45.057 0.000) 67.924 20.068 ( -2.384 -11.857 0.000) 12.095 ======================= Grid point 7 (6/144) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 26.465 10.305 0.000) 28.400 1.305 ( 18.648 28.966 0.000) 34.450 1.621 ( -16.140 29.204 0.000) 33.367 1.732 ( -21.907 5.601 0.000) 22.612 2.200 ( 44.235 18.755 0.000) 48.046 2.713 ( 0.721 14.991 0.000) 15.009 2.885 ( -3.386 20.811 0.000) 21.085 3.093 ( -38.240 13.818 0.000) 40.661 3.913 ( 16.069 -2.106 0.000) 16.206 4.181 ( -13.048 -2.263 0.000) 13.243 4.619 ( 3.792 -0.931 0.000) 3.905 4.666 ( -0.448 -1.226 0.000) 1.306 6.120 ( 0.211 2.834 0.000) 2.842 6.126 ( -0.503 4.298 0.000) 4.327 6.984 ( 7.232 -7.941 0.000) 10.741 7.079 ( -3.240 -6.514 0.000) 7.275 7.935 ( 16.395 7.384 0.000) 17.981 8.155 ( -7.027 20.408 0.000) 21.584 8.578 ( -1.445 -2.339 0.000) 2.749 8.646 ( -7.154 6.133 0.000) 9.423 9.250 ( 1.956 26.175 0.000) 26.248 9.347 ( -10.080 30.289 0.000) 31.922 9.742 ( 12.840 -1.797 0.000) 12.965 9.992 ( -14.590 -0.498 0.000) 14.598 10.569 ( 0.732 -13.262 0.000) 13.282 10.593 ( -2.136 -12.835 0.000) 13.011 10.651 ( 1.067 0.133 0.000) 1.076 10.667 ( -0.592 0.483 0.000) 0.764 11.261 ( 13.072 -8.174 0.000) 15.417 11.496 ( -12.782 -1.129 0.000) 12.831 11.637 ( 3.404 -3.409 0.000) 4.817 11.708 ( -4.070 -1.874 0.000) 4.481 11.913 ( 0.015 9.912 0.000) 9.912 11.934 ( -3.478 15.389 0.000) 15.778 12.120 ( 6.288 13.275 0.000) 14.689 12.237 ( -6.390 11.403 0.000) 13.071 14.392 ( 3.262 -0.329 0.000) 3.278 14.451 ( -3.169 -0.567 0.000) 3.219 14.926 ( 1.388 -4.180 0.000) 4.405 14.948 ( -0.973 -3.952 0.000) 4.070 15.449 ( 4.173 6.412 0.000) 7.650 15.559 ( -8.991 12.740 0.000) 15.593 17.797 ( 3.196 -2.393 0.000) 3.993 17.860 ( -3.557 -2.952 0.000) 4.623 18.373 ( 0.979 -5.727 0.000) 5.810 18.384 ( -0.229 -4.044 0.000) 4.050 19.820 ( 15.385 -26.754 0.000) 30.863 19.996 ( -5.980 -16.066 0.000) 17.143 ======================= Grid point 10 (7/144) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.000 26.534 0.000) 26.534 1.138 ( 0.000 30.023 0.000) 30.023 2.123 ( 0.000 15.054 0.000) 15.054 2.437 ( 0.000 41.733 0.000) 41.733 2.640 ( 0.000 31.031 0.000) 31.031 2.922 ( 0.000 18.832 0.000) 18.832 3.476 ( 0.000 21.715 0.000) 21.715 3.548 ( 0.000 14.098 0.000) 14.098 4.254 ( 0.000 -3.319 0.000) 3.319 4.433 ( 0.000 6.092 0.000) 6.092 4.459 ( 0.000 5.671 0.000) 5.671 4.552 ( 0.000 0.388 0.000) 0.388 6.160 ( 0.000 2.907 0.000) 2.907 6.360 ( 0.000 13.307 0.000) 13.307 6.589 ( 0.000 -5.926 0.000) 5.926 7.122 ( 0.000 0.931 0.000) 0.931 7.633 ( 0.000 16.928 0.000) 16.928 8.660 ( 0.000 22.531 0.000) 22.531 8.704 ( 0.000 -4.757 0.000) 4.757 8.829 ( 0.000 -4.409 0.000) 4.409 9.517 ( 0.000 4.926 0.000) 4.926 9.758 ( 0.000 27.451 0.000) 27.451 9.961 ( 0.000 13.864 0.000) 13.864 10.267 ( 0.000 -3.208 0.000) 3.208 10.338 ( 0.000 -24.520 0.000) 24.520 10.587 ( 0.000 -0.792 0.000) 0.792 10.606 ( 0.000 -2.025 0.000) 2.025 10.654 ( 0.000 -10.459 0.000) 10.459 10.745 ( 0.000 1.826 0.000) 1.826 11.420 ( 0.000 -10.416 0.000) 10.416 11.665 ( 0.000 -3.310 0.000) 3.310 11.843 ( 0.000 0.534 0.000) 0.534 12.142 ( 0.000 14.356 0.000) 14.356 12.238 ( 0.000 9.722 0.000) 9.722 12.490 ( 0.000 6.699 0.000) 6.699 12.962 ( 0.000 12.924 0.000) 12.924 14.278 ( 0.000 -3.757 0.000) 3.757 14.488 ( 0.000 -2.184 0.000) 2.184 14.768 ( 0.000 -7.767 0.000) 7.767 14.862 ( 0.000 -4.905 0.000) 4.905 15.468 ( 0.000 5.707 0.000) 5.707 16.956 ( 0.000 0.913 0.000) 0.913 17.373 ( 0.000 -4.652 0.000) 4.652 17.824 ( 0.000 -7.886 0.000) 7.886 17.920 ( 0.000 -12.104 0.000) 12.104 18.315 ( 0.000 -3.895 0.000) 3.895 18.364 ( 0.000 -2.924 0.000) 2.924 19.802 ( 0.000 -17.093 0.000) 17.093 ======================= Grid point 11 (8/144) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 13.574 25.700 0.000) 29.065 1.309 ( 22.466 19.794 0.000) 29.942 2.101 ( -5.214 7.376 0.000) 9.032 2.469 ( -14.938 25.912 0.000) 29.909 2.499 ( 9.954 48.880 0.000) 49.883 3.036 ( 8.554 23.342 0.000) 24.860 3.459 ( -2.654 27.744 0.000) 27.870 3.653 ( 11.164 5.386 0.000) 12.395 3.968 ( -25.218 11.736 0.000) 27.816 4.313 ( -7.331 -1.651 0.000) 7.514 4.562 ( 1.355 0.150 0.000) 1.364 4.610 ( 5.415 2.153 0.000) 5.827 6.164 ( 0.519 2.999 0.000) 3.043 6.294 ( -4.724 8.323 0.000) 9.570 6.715 ( 10.763 -1.437 0.000) 10.859 7.111 ( -1.641 2.144 0.000) 2.700 7.757 ( 13.113 12.754 0.000) 18.293 8.632 ( -7.068 -2.888 0.000) 7.636 8.674 ( -0.012 22.190 0.000) 22.190 8.814 ( -1.669 -3.031 0.000) 3.460 9.529 ( 3.169 -0.600 0.000) 3.225 9.766 ( 0.707 26.797 0.000) 26.806 9.923 ( -3.796 15.706 0.000) 16.158 10.219 ( -6.730 -2.545 0.000) 7.195 10.296 ( -1.245 -15.364 0.000) 15.415 10.525 ( -9.405 -6.998 0.000) 11.723 10.637 ( 0.621 -1.917 0.000) 2.015 10.693 ( 2.025 0.606 0.000) 2.114 10.826 ( 14.046 -4.092 0.000) 14.630 11.451 ( 3.360 -9.256 0.000) 9.847 11.619 ( -5.642 -4.047 0.000) 6.943 11.788 ( -5.757 0.115 0.000) 5.758 12.153 ( 1.271 15.134 0.000) 15.188 12.265 ( 2.951 9.364 0.000) 9.818 12.458 ( -3.826 8.206 0.000) 9.054 12.707 ( -21.427 19.711 0.000) 29.114 14.311 ( 2.993 -3.078 0.000) 4.293 14.472 ( -1.762 -2.066 0.000) 2.716 14.778 ( 1.057 -7.790 0.000) 7.861 14.856 ( -0.727 -5.600 0.000) 5.647 15.502 ( 3.839 6.563 0.000) 7.604 16.295 ( -35.695 14.401 0.000) 38.491 17.668 ( 6.059 -4.367 0.000) 7.469 17.808 ( -1.683 -7.403 0.000) 7.592 18.098 ( 9.434 -16.676 0.000) 19.160 18.305 ( -1.158 -4.707 0.000) 4.847 18.712 ( 35.280 -16.775 0.000) 39.065 19.758 ( -5.059 -18.140 0.000) 18.833 ======================= Grid point 12 (9/144) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 17.956 17.315 0.000) 24.945 1.728 ( 18.347 13.231 0.000) 22.620 1.923 ( -9.936 14.444 0.000) 17.531 2.157 ( -19.153 21.615 0.000) 28.879 2.827 ( 24.294 39.853 0.000) 46.674 3.144 ( -0.772 26.741 0.000) 26.752 3.393 ( -3.812 27.828 0.000) 28.088 3.488 ( -22.537 24.435 0.000) 33.241 3.894 ( 14.305 0.949 0.000) 14.337 4.137 ( -11.998 -1.354 0.000) 12.074 4.602 ( 2.797 -0.536 0.000) 2.848 4.643 ( -1.013 -0.370 0.000) 1.079 6.182 ( 1.604 3.638 0.000) 3.976 6.223 ( -3.024 5.250 0.000) 6.058 6.909 ( 9.743 1.008 0.000) 9.795 7.048 ( -5.530 2.480 0.000) 6.061 8.061 ( 19.119 7.480 0.000) 20.530 8.400 ( -17.168 4.432 0.000) 17.731 8.707 ( 3.049 11.368 0.000) 11.770 8.768 ( -3.261 2.110 0.000) 3.884 9.679 ( 13.437 -3.107 0.000) 13.792 9.789 ( 2.146 24.899 0.000) 24.992 9.846 ( -4.189 19.646 0.000) 20.088 9.980 ( -17.842 0.065 0.000) 17.842 10.316 ( 2.882 -8.470 0.000) 8.947 10.386 ( -5.161 -5.988 0.000) 7.905 10.659 ( 1.521 -0.078 0.000) 1.523 10.686 ( -1.308 0.880 0.000) 1.577 11.141 ( 18.118 -4.608 0.000) 18.695 11.439 ( -14.107 -3.972 0.000) 14.655 11.538 ( 6.155 -6.371 0.000) 8.858 11.663 ( -7.361 -2.628 0.000) 7.816 12.196 ( 3.953 17.681 0.000) 18.118 12.319 ( -10.005 19.769 0.000) 22.157 12.339 ( 4.938 8.624 0.000) 9.938 12.442 ( -7.171 10.158 0.000) 12.434 14.370 ( 3.401 -2.207 0.000) 4.054 14.428 ( -2.920 -1.945 0.000) 3.508 14.804 ( 1.683 -7.559 0.000) 7.744 14.835 ( -1.595 -6.762 0.000) 6.948 15.612 ( 8.611 9.134 0.000) 12.553 15.835 ( -17.210 13.186 0.000) 21.681 17.726 ( 2.347 -4.771 0.000) 5.317 17.770 ( -2.412 -6.208 0.000) 6.661 18.208 ( 4.382 -10.525 0.000) 11.401 18.271 ( -2.666 -6.949 0.000) 7.443 19.284 ( 24.622 -24.452 0.000) 34.700 19.607 ( -12.253 -21.195 0.000) 24.482 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.000 23.760 0.000) 23.760 1.723 ( 0.000 28.017 0.000) 28.017 2.257 ( 0.000 6.119 0.000) 6.119 3.106 ( 0.000 14.957 0.000) 14.957 3.247 ( 0.000 12.661 0.000) 12.661 3.402 ( 0.000 46.938 0.000) 46.938 3.637 ( 0.000 6.465 0.000) 6.465 4.123 ( 0.000 -8.718 0.000) 8.718 4.135 ( 0.000 31.310 0.000) 31.310 4.536 ( 0.000 -2.324 0.000) 2.324 4.615 ( 0.000 10.347 0.000) 10.347 4.720 ( 0.000 21.313 0.000) 21.313 6.251 ( 0.000 6.982 0.000) 6.982 6.569 ( 0.000 4.368 0.000) 4.368 6.662 ( 0.000 16.777 0.000) 16.777 7.167 ( 0.000 3.490 0.000) 3.490 8.023 ( 0.000 21.471 0.000) 21.471 8.569 ( 0.000 -8.279 0.000) 8.279 8.686 ( 0.000 -7.575 0.000) 7.575 9.039 ( 0.000 14.709 0.000) 14.709 9.645 ( 0.000 7.806 0.000) 7.806 9.901 ( 0.000 -16.966 0.000) 16.966 10.144 ( 0.000 -9.289 0.000) 9.289 10.266 ( 0.000 10.527 0.000) 10.527 10.271 ( 0.000 19.905 0.000) 19.905 10.501 ( 0.000 -4.141 0.000) 4.141 10.579 ( 0.000 0.227 0.000) 0.227 10.599 ( 0.000 5.079 0.000) 5.079 10.829 ( 0.000 7.510 0.000) 7.510 11.164 ( 0.000 -15.128 0.000) 15.128 11.600 ( 0.000 -3.056 0.000) 3.056 11.832 ( 0.000 -1.588 0.000) 1.588 12.391 ( 0.000 6.104 0.000) 6.104 12.467 ( 0.000 17.226 0.000) 17.226 12.582 ( 0.000 2.799 0.000) 2.799 13.288 ( 0.000 18.900 0.000) 18.900 14.144 ( 0.000 -9.983 0.000) 9.983 14.432 ( 0.000 -3.443 0.000) 3.443 14.601 ( 0.000 -8.539 0.000) 8.539 14.786 ( 0.000 -2.404 0.000) 2.404 15.594 ( 0.000 6.653 0.000) 6.653 16.968 ( 0.000 -0.201 0.000) 0.201 17.253 ( 0.000 -7.382 0.000) 7.382 17.628 ( 0.000 -11.789 0.000) 11.789 17.659 ( 0.000 -13.159 0.000) 13.159 18.234 ( 0.000 -3.959 0.000) 3.959 18.293 ( 0.000 -4.186 0.000) 4.186 19.445 ( 0.000 -17.962 0.000) 17.962 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 12.894 19.085 0.000) 23.032 1.789 ( 6.829 25.378 0.000) 26.281 2.253 ( -0.682 9.133 0.000) 9.159 2.847 ( -18.652 12.888 0.000) 22.672 3.425 ( 3.616 38.278 0.000) 38.448 3.447 ( 12.088 15.231 0.000) 19.446 3.736 ( 9.456 11.897 0.000) 15.197 4.067 ( -6.019 -4.170 0.000) 7.322 4.087 ( -4.703 27.265 0.000) 27.667 4.469 ( -12.496 17.338 0.000) 21.372 4.564 ( 2.824 0.921 0.000) 2.970 4.746 ( -0.035 13.678 0.000) 13.678 6.258 ( 0.842 7.141 0.000) 7.190 6.455 ( -6.812 8.801 0.000) 11.130 6.819 ( 11.121 11.044 0.000) 15.674 7.175 ( 0.106 4.120 0.000) 4.121 8.081 ( 6.619 18.762 0.000) 19.895 8.544 ( -2.771 -6.031 0.000) 6.637 8.691 ( 0.692 -7.028 0.000) 7.062 9.021 ( -5.299 11.878 0.000) 13.006 9.510 ( -3.286 -0.631 0.000) 3.346 10.042 ( 7.607 -2.686 0.000) 8.067 10.089 ( -6.251 -7.154 0.000) 9.500 10.252 ( -1.918 9.185 0.000) 9.384 10.289 ( 2.038 16.696 0.000) 16.820 10.445 ( -4.951 -0.973 0.000) 5.046 10.627 ( 2.686 4.524 0.000) 5.262 10.678 ( 7.745 -1.517 0.000) 7.892 10.842 ( 4.141 5.778 0.000) 7.108 11.228 ( 6.663 -12.674 0.000) 14.319 11.540 ( -6.775 -3.699 0.000) 7.719 11.769 ( -6.842 -1.913 0.000) 7.104 12.399 ( 1.198 5.823 0.000) 5.945 12.505 ( 3.994 17.800 0.000) 18.242 12.560 ( -2.332 2.901 0.000) 3.722 13.115 ( -16.270 20.665 0.000) 26.301 14.197 ( 4.804 -8.418 0.000) 9.692 14.413 ( -2.051 -3.999 0.000) 4.494 14.616 ( 1.554 -7.889 0.000) 8.040 14.765 ( -2.264 -3.177 0.000) 3.901 15.641 ( 5.230 7.029 0.000) 8.761 16.485 ( -29.168 5.534 0.000) 29.688 17.580 ( 6.001 -4.304 0.000) 7.385 17.621 ( -0.704 -11.405 0.000) 11.427 17.734 ( 14.480 -18.769 0.000) 23.705 18.208 ( -2.965 -4.739 0.000) 5.590 18.478 ( 19.264 -8.864 0.000) 21.205 19.387 ( -6.571 -18.322 0.000) 19.465 ======================= Grid point 17 (12/144) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 7.560 18.159 0.000) 19.670 1.950 ( 9.754 10.963 0.000) 14.674 2.253 ( 4.082 17.190 0.000) 17.668 2.498 ( -19.069 14.162 0.000) 23.753 3.543 ( 8.283 23.560 0.000) 24.973 3.609 ( 3.982 15.354 0.000) 15.862 3.904 ( 4.249 24.576 0.000) 24.940 3.938 ( -5.930 12.946 0.000) 14.239 4.025 ( 3.194 13.633 0.000) 14.002 4.223 ( -13.782 16.172 0.000) 21.248 4.630 ( 4.321 5.515 0.000) 7.006 4.707 ( -3.731 9.151 0.000) 9.883 6.288 ( 2.565 7.663 0.000) 8.081 6.352 ( -4.584 8.492 0.000) 9.650 7.011 ( 9.422 8.481 0.000) 12.677 7.140 ( -4.513 6.149 0.000) 7.627 8.257 ( 11.969 11.470 0.000) 16.578 8.454 ( -8.123 1.030 0.000) 8.188 8.721 ( 3.201 -4.670 0.000) 5.662 8.840 ( -10.524 2.549 0.000) 10.829 9.635 ( 13.849 -0.292 0.000) 13.852 9.905 ( -13.943 -3.753 0.000) 14.439 10.132 ( 3.508 6.546 0.000) 7.427 10.196 ( -3.712 9.161 0.000) 9.885 10.332 ( 2.268 9.127 0.000) 9.404 10.372 ( -2.692 3.388 0.000) 4.328 10.680 ( 2.800 4.808 0.000) 5.564 10.719 ( -1.236 3.891 0.000) 4.083 11.066 ( 16.878 -2.456 0.000) 17.056 11.353 ( -13.754 -4.263 0.000) 14.400 11.390 ( 10.892 -7.983 0.000) 13.505 11.599 ( -11.369 -3.728 0.000) 11.964 12.439 ( 3.154 4.653 0.000) 5.621 12.504 ( -3.688 3.457 0.000) 5.055 12.612 ( 8.167 20.008 0.000) 21.611 12.816 ( -14.667 22.080 0.000) 26.508 14.286 ( 4.684 -6.463 0.000) 7.981 14.361 ( -3.582 -5.096 0.000) 6.229 14.656 ( 2.806 -6.510 0.000) 7.089 14.712 ( -3.269 -4.838 0.000) 5.839 15.786 ( 11.041 7.933 0.000) 13.595 16.052 ( -18.916 8.371 0.000) 20.685 17.598 ( 0.092 -8.615 0.000) 8.616 17.606 ( -0.746 -10.347 0.000) 10.374 17.979 ( 10.439 -11.302 0.000) 15.385 18.126 ( -6.180 -7.064 0.000) 9.385 18.876 ( 21.643 -16.702 0.000) 27.338 19.202 ( -14.085 -18.754 0.000) 23.454 ======================= Grid point 20 (13/144) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 0.000 20.264 0.000) 20.264 2.230 ( 0.000 22.436 0.000) 22.436 2.408 ( 0.000 8.936 0.000) 8.936 3.272 ( 0.000 3.392 0.000) 3.392 3.408 ( 0.000 3.753 0.000) 3.753 3.755 ( 0.000 4.845 0.000) 4.845 3.927 ( 0.000 -10.667 0.000) 10.667 4.228 ( 0.000 32.281 0.000) 32.281 4.461 ( 0.000 -2.176 0.000) 2.176 4.716 ( 0.000 26.315 0.000) 26.315 4.880 ( 0.000 16.162 0.000) 16.162 5.198 ( 0.000 24.479 0.000) 24.479 6.462 ( 0.000 14.420 0.000) 14.420 6.760 ( 0.000 14.391 0.000) 14.391 7.018 ( 0.000 18.623 0.000) 18.623 7.253 ( 0.000 5.042 0.000) 5.042 8.401 ( 0.000 -7.905 0.000) 7.905 8.451 ( 0.000 20.413 0.000) 20.413 8.592 ( 0.000 -1.048 0.000) 1.048 9.242 ( 0.000 5.890 0.000) 5.890 9.641 ( 0.000 -9.270 0.000) 9.270 9.817 ( 0.000 8.940 0.000) 8.940 9.937 ( 0.000 -10.176 0.000) 10.176 10.272 ( 0.000 -5.636 0.000) 5.636 10.473 ( 0.000 0.667 0.000) 0.667 10.506 ( 0.000 4.653 0.000) 4.653 10.613 ( 0.000 3.460 0.000) 3.460 10.827 ( 0.000 -18.198 0.000) 18.198 10.842 ( 0.000 13.560 0.000) 13.560 11.079 ( 0.000 16.040 0.000) 16.040 11.562 ( 0.000 0.197 0.000) 0.197 11.788 ( 0.000 -2.617 0.000) 2.617 12.496 ( 0.000 4.780 0.000) 4.780 12.610 ( 0.000 0.162 0.000) 0.162 12.784 ( 0.000 13.675 0.000) 13.675 13.679 ( 0.000 19.718 0.000) 19.718 13.891 ( 0.000 -14.862 0.000) 14.862 14.352 ( 0.000 -4.550 0.000) 4.550 14.442 ( 0.000 -7.308 0.000) 7.308 14.761 ( 0.000 -0.460 0.000) 0.460 15.725 ( 0.000 6.406 0.000) 6.406 16.912 ( 0.000 -6.433 0.000) 6.433 17.082 ( 0.000 -9.717 0.000) 9.717 17.361 ( 0.000 -14.824 0.000) 14.824 17.453 ( 0.000 -5.939 0.000) 5.939 18.169 ( 0.000 -2.378 0.000) 2.378 18.198 ( 0.000 -5.322 0.000) 5.322 19.108 ( 0.000 -15.598 0.000) 15.598 ======================= Grid point 21 (14/144) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 5.252 17.007 0.000) 17.799 2.252 ( 2.011 20.626 0.000) 20.723 2.461 ( 5.303 11.348 0.000) 12.526 3.029 ( -16.374 6.393 0.000) 17.577 3.612 ( 11.641 2.182 0.000) 11.844 3.734 ( -1.686 4.441 0.000) 4.751 3.919 ( -0.081 -9.375 0.000) 9.375 4.276 ( 1.929 17.044 0.000) 17.152 4.394 ( -2.919 14.875 0.000) 15.159 4.788 ( 6.288 22.066 0.000) 22.945 4.824 ( -5.976 18.283 0.000) 19.235 5.156 ( -4.507 23.945 0.000) 24.366 6.471 ( 1.131 14.468 0.000) 14.512 6.690 ( -5.862 15.282 0.000) 16.368 7.101 ( 7.134 16.262 0.000) 17.758 7.274 ( 1.723 5.857 0.000) 6.105 8.407 ( 0.607 -7.016 0.000) 7.042 8.446 ( -0.484 14.732 0.000) 14.740 8.614 ( 2.691 2.074 0.000) 3.397 9.160 ( -11.599 3.195 0.000) 12.031 9.520 ( 0.522 1.177 0.000) 1.288 9.915 ( -2.794 -8.756 0.000) 9.191 10.060 ( 14.537 4.090 0.000) 15.101 10.280 ( 0.795 -4.192 0.000) 4.267 10.435 ( -3.657 0.828 0.000) 3.750 10.454 ( -4.180 -0.093 0.000) 4.181 10.664 ( 5.476 -0.255 0.000) 5.482 10.850 ( 0.715 12.148 0.000) 12.169 10.925 ( 9.254 -8.938 0.000) 12.866 11.117 ( 4.656 12.841 0.000) 13.659 11.496 ( -7.228 0.463 0.000) 7.243 11.720 ( -7.414 -2.708 0.000) 7.893 12.491 ( -0.240 3.872 0.000) 3.880 12.590 ( -2.141 0.228 0.000) 2.153 12.836 ( 5.580 14.320 0.000) 15.369 13.486 ( -15.550 14.244 0.000) 21.088 14.009 ( 7.989 -8.001 0.000) 11.306 14.310 ( -3.703 -6.108 0.000) 7.142 14.483 ( 3.604 -5.397 0.000) 6.490 14.727 ( -3.525 -0.934 0.000) 3.647 15.773 ( 5.382 6.211 0.000) 8.218 16.534 ( -23.069 -0.432 0.000) 23.073 17.349 ( 5.773 -18.218 0.000) 19.111 17.359 ( -0.182 -14.707 0.000) 14.708 17.531 ( 13.845 -1.656 0.000) 13.944 18.130 ( -4.323 -2.819 0.000) 5.161 18.320 ( 12.586 -7.415 0.000) 14.608 19.048 ( -6.633 -15.451 0.000) 16.814 ======================= Grid point 22 (15/144) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 7.259 12.440 0.000) 14.404 2.269 ( -1.342 15.308 0.000) 15.367 2.577 ( 7.486 14.969 0.000) 16.737 2.756 ( -12.948 12.001 0.000) 17.655 3.717 ( 0.177 1.176 0.000) 1.189 3.726 ( 0.795 -1.131 0.000) 1.382 3.989 ( 8.495 -3.450 0.000) 9.169 4.167 ( -9.865 -1.377 0.000) 9.961 4.496 ( 9.816 29.813 0.000) 31.388 4.678 ( -9.642 23.634 0.000) 25.525 4.914 ( 7.413 21.100 0.000) 22.364 5.047 ( -7.104 22.481 0.000) 23.577 6.509 ( 3.224 14.736 0.000) 15.084 6.586 ( -5.253 15.221 0.000) 16.102 7.224 ( 5.678 12.586 0.000) 13.808 7.286 ( -1.066 8.618 0.000) 8.684 8.420 ( 0.851 -3.798 0.000) 3.892 8.435 ( -0.709 3.626 0.000) 3.695 8.705 ( 7.927 6.130 0.000) 10.020 8.905 ( -13.797 4.957 0.000) 14.660 9.645 ( 10.207 0.413 0.000) 10.216 9.820 ( -7.962 -4.536 0.000) 9.163 10.241 ( 5.722 6.507 0.000) 8.665 10.291 ( -0.241 1.514 0.000) 1.533 10.374 ( -1.964 -1.572 0.000) 2.516 10.387 ( -2.776 -3.909 0.000) 4.794 10.790 ( 6.575 -1.450 0.000) 6.733 10.854 ( -0.878 7.129 0.000) 7.183 11.103 ( 10.385 4.839 0.000) 11.457 11.279 ( 13.049 0.817 0.000) 13.074 11.315 ( -12.116 2.365 0.000) 12.344 11.529 ( -13.199 -2.571 0.000) 13.447 12.501 ( 1.510 2.074 0.000) 2.566 12.542 ( -2.806 0.728 0.000) 2.898 12.979 ( 10.151 15.419 0.000) 18.460 13.204 ( -14.647 15.367 0.000) 21.229 14.136 ( 6.069 -7.179 0.000) 9.401 14.233 ( -4.775 -6.991 0.000) 8.466 14.558 ( 4.646 -3.550 0.000) 5.847 14.647 ( -4.997 -2.081 0.000) 5.413 15.920 ( 10.877 5.496 0.000) 12.187 16.170 ( -16.974 3.679 0.000) 17.368 17.357 ( 0.048 -14.513 0.000) 14.513 17.362 ( -0.559 -14.866 0.000) 14.876 17.810 ( 13.737 -5.038 0.000) 14.632 18.012 ( -8.754 -3.984 0.000) 9.618 18.598 ( 16.562 -11.776 0.000) 20.322 18.871 ( -12.864 -14.552 0.000) 19.423 ======================= Grid point 25 (16/144) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 0.000 17.019 0.000) 17.019 2.602 ( 0.000 10.250 0.000) 10.250 2.608 ( 0.000 15.670 0.000) 15.670 3.292 ( 0.000 -0.629 0.000) 0.629 3.422 ( 0.000 -1.604 0.000) 1.604 3.707 ( 0.000 -11.246 0.000) 11.246 3.812 ( 0.000 0.622 0.000) 0.622 4.236 ( 0.000 -10.856 0.000) 10.856 4.897 ( 0.000 25.626 0.000) 25.626 5.164 ( 0.000 18.409 0.000) 18.409 5.244 ( 0.000 19.727 0.000) 19.727 5.633 ( 0.000 18.377 0.000) 18.377 6.816 ( 0.000 20.339 0.000) 20.339 7.117 ( 0.000 20.850 0.000) 20.850 7.368 ( 0.000 6.549 0.000) 6.549 7.389 ( 0.000 18.178 0.000) 18.178 8.276 ( 0.000 -4.287 0.000) 4.287 8.644 ( 0.000 5.584 0.000) 5.584 8.789 ( 0.000 12.368 0.000) 12.368 9.275 ( 0.000 -2.747 0.000) 2.747 9.518 ( 0.000 -3.417 0.000) 3.417 9.778 ( 0.000 -5.075 0.000) 5.075 9.981 ( 0.000 7.431 0.000) 7.431 10.131 ( 0.000 -7.890 0.000) 7.890 10.417 ( 0.000 -20.154 0.000) 20.154 10.518 ( 0.000 3.845 0.000) 3.845 10.537 ( 0.000 -0.412 0.000) 0.412 10.775 ( 0.000 10.643 0.000) 10.643 11.005 ( 0.000 2.341 0.000) 2.341 11.373 ( 0.000 11.917 0.000) 11.917 11.641 ( 0.000 7.461 0.000) 7.461 11.740 ( 0.000 -1.803 0.000) 1.803 12.594 ( 0.000 5.393 0.000) 5.393 12.597 ( 0.000 -1.063 0.000) 1.063 12.992 ( 0.000 7.113 0.000) 7.113 13.572 ( 0.000 -16.699 0.000) 16.699 14.050 ( 0.000 17.082 0.000) 17.082 14.254 ( 0.000 -5.143 0.000) 5.143 14.311 ( 0.000 -5.861 0.000) 5.861 14.754 ( 0.000 -0.538 0.000) 0.538 15.850 ( 0.000 6.302 0.000) 6.302 16.723 ( 0.000 -11.009 0.000) 11.009 16.875 ( 0.000 -10.819 0.000) 10.819 17.048 ( 0.000 -16.318 0.000) 16.318 17.432 ( 0.000 2.782 0.000) 2.782 18.082 ( 0.000 -6.289 0.000) 6.289 18.146 ( 0.000 0.250 0.000) 0.250 18.827 ( 0.000 -12.737 0.000) 12.737 ======================= Grid point 26 (17/144) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 0.974 15.283 0.000) 15.314 2.603 ( -1.198 14.655 0.000) 14.704 2.688 ( 8.012 11.137 0.000) 13.720 3.127 ( -10.303 3.903 0.000) 11.017 3.581 ( 8.356 -4.340 0.000) 9.415 3.715 ( 2.877 -10.664 0.000) 11.045 3.771 ( -4.116 -0.530 0.000) 4.150 4.184 ( -5.506 -10.123 0.000) 11.524 4.934 ( 3.834 24.794 0.000) 25.088 5.209 ( 4.873 18.336 0.000) 18.972 5.210 ( -3.593 20.090 0.000) 20.409 5.590 ( -4.646 18.486 0.000) 19.061 6.823 ( 0.995 20.087 0.000) 20.111 7.052 ( -5.800 20.435 0.000) 21.242 7.409 ( 3.961 7.651 0.000) 8.616 7.442 ( 4.348 17.530 0.000) 18.061 8.293 ( 1.964 -3.914 0.000) 4.379 8.579 ( -5.962 4.547 0.000) 7.498 8.823 ( 2.994 11.582 0.000) 11.963 9.182 ( -9.238 -0.815 0.000) 9.274 9.528 ( 3.458 -0.671 0.000) 3.522 9.770 ( -1.062 -5.300 0.000) 5.406 10.152 ( 14.199 3.798 0.000) 14.699 10.152 ( 2.068 -7.779 0.000) 8.049 10.330 ( -5.209 -12.002 0.000) 13.084 10.493 ( -2.374 4.758 0.000) 5.317 10.609 ( 3.764 -3.812 0.000) 5.357 10.869 ( 10.798 5.890 0.000) 12.300 10.977 ( -3.435 0.617 0.000) 3.490 11.399 ( 2.747 12.050 0.000) 12.359 11.588 ( -6.212 7.124 0.000) 9.452 11.681 ( -5.995 -0.161 0.000) 5.997 12.568 ( -2.192 4.396 0.000) 4.912 12.580 ( -1.758 -0.801 0.000) 1.932 13.050 ( 5.911 6.845 0.000) 9.044 13.510 ( -6.550 -10.753 0.000) 12.591 14.056 ( 0.710 11.736 0.000) 11.758 14.191 ( -4.120 -5.195 0.000) 6.630 14.387 ( 5.639 -4.586 0.000) 7.269 14.712 ( -4.341 -0.865 0.000) 4.426 15.890 ( 4.477 5.728 0.000) 7.270 16.483 ( -16.423 -4.020 0.000) 16.908 17.002 ( 4.941 -16.243 0.000) 16.978 17.047 ( -0.092 -16.288 0.000) 16.288 17.540 ( 11.064 2.369 0.000) 11.315 18.102 ( -4.885 0.128 0.000) 4.886 18.175 ( 9.543 -7.288 0.000) 12.008 18.772 ( -6.037 -12.444 0.000) 13.831 ======================= Grid point 27 (18/144) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 5.168 12.952 0.000) 13.945 2.543 ( -5.370 12.438 0.000) 13.547 2.843 ( 8.191 11.700 0.000) 14.282 2.975 ( -6.981 9.904 0.000) 12.117 3.637 ( 1.252 -7.001 0.000) 7.112 3.688 ( -4.323 -3.792 0.000) 5.751 3.865 ( 10.759 -8.077 0.000) 13.453 4.049 ( -9.153 -8.827 0.000) 12.716 5.022 ( 5.584 22.897 0.000) 23.568 5.125 ( -5.524 21.163 0.000) 21.872 5.329 ( 7.883 18.493 0.000) 20.103 5.475 ( -7.756 18.619 0.000) 20.170 6.861 ( 3.391 19.833 0.000) 20.120 6.944 ( -5.632 19.964 0.000) 20.744 7.481 ( 3.191 10.682 0.000) 11.149 7.501 ( 1.342 14.754 0.000) 14.815 8.352 ( 4.691 -2.037 0.000) 5.114 8.459 ( -6.769 1.444 0.000) 6.921 8.892 ( 4.935 9.192 0.000) 10.433 9.012 ( -8.469 4.662 0.000) 9.668 9.630 ( 6.505 -2.109 0.000) 6.838 9.728 ( -3.893 -4.545 0.000) 5.984 10.192 ( 2.103 -8.612 0.000) 8.865 10.235 ( -2.884 -10.602 0.000) 10.987 10.389 ( 7.054 7.467 0.000) 10.272 10.452 ( -1.953 6.958 0.000) 7.227 10.697 ( 7.971 -5.291 0.000) 9.567 10.868 ( -8.693 -3.472 0.000) 9.361 11.126 ( 16.118 1.415 0.000) 16.180 11.405 ( -13.726 2.542 0.000) 13.959 11.466 ( 4.615 11.638 0.000) 12.520 11.564 ( -6.159 7.617 0.000) 9.795 12.538 ( -0.732 2.244 0.000) 2.360 12.547 ( -1.492 0.246 0.000) 1.512 13.187 ( 8.876 4.834 0.000) 10.107 13.358 ( -9.591 -0.986 0.000) 9.642 14.079 ( 1.931 2.871 0.000) 3.460 14.125 ( -3.147 -2.847 0.000) 4.244 14.496 ( 6.338 -3.084 0.000) 7.049 14.612 ( -6.331 -1.767 0.000) 6.573 16.011 ( 8.894 4.000 0.000) 9.752 16.211 ( -13.247 0.949 0.000) 13.281 17.041 ( 0.569 -16.544 0.000) 16.554 17.045 ( -0.085 -16.291 0.000) 16.292 17.769 ( 12.786 0.437 0.000) 12.794 17.972 ( -9.413 -0.050 0.000) 9.413 18.390 ( 13.156 -9.498 0.000) 16.226 18.615 ( -11.067 -11.422 0.000) 15.904 ======================= Grid point 30 (19/144) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 0.000 13.582 0.000) 13.582 2.801 ( 0.000 9.211 0.000) 9.211 2.867 ( 0.000 10.757 0.000) 10.757 3.267 ( 0.000 -1.684 0.000) 1.684 3.372 ( 0.000 -2.881 0.000) 2.881 3.490 ( 0.000 -10.134 0.000) 10.134 3.783 ( 0.000 -3.051 0.000) 3.051 3.999 ( 0.000 -12.047 0.000) 12.047 5.306 ( 0.000 15.567 0.000) 15.567 5.447 ( 0.000 10.108 0.000) 10.108 5.627 ( 0.000 17.632 0.000) 17.632 5.913 ( 0.000 9.550 0.000) 9.550 7.222 ( 0.000 18.985 0.000) 18.985 7.504 ( 0.000 6.534 0.000) 6.534 7.565 ( 0.000 23.251 0.000) 23.251 7.718 ( 0.000 14.187 0.000) 14.187 8.233 ( 0.000 0.105 0.000) 0.105 8.777 ( 0.000 6.756 0.000) 6.756 8.926 ( 0.000 2.141 0.000) 2.141 9.119 ( 0.000 -13.267 0.000) 13.267 9.497 ( 0.000 1.199 0.000) 1.199 9.741 ( 0.000 0.674 0.000) 0.674 9.974 ( 0.000 -7.532 0.000) 7.532 10.010 ( 0.000 -15.619 0.000) 15.619 10.144 ( 0.000 5.204 0.000) 5.204 10.503 ( 0.000 -2.960 0.000) 2.960 10.625 ( 0.000 6.642 0.000) 6.642 10.979 ( 0.000 -3.684 0.000) 3.684 11.035 ( 0.000 14.321 0.000) 14.321 11.523 ( 0.000 2.877 0.000) 2.877 11.728 ( 0.000 0.847 0.000) 0.847 11.793 ( 0.000 5.880 0.000) 5.880 12.595 ( 0.000 1.830 0.000) 1.830 12.722 ( 0.000 7.565 0.000) 7.565 13.068 ( 0.000 0.575 0.000) 0.575 13.241 ( 0.000 -16.272 0.000) 16.272 14.158 ( 0.000 -4.087 0.000) 4.087 14.206 ( 0.000 -4.740 0.000) 4.740 14.348 ( 0.000 12.675 0.000) 12.675 14.732 ( 0.000 -1.858 0.000) 1.858 15.986 ( 0.000 7.742 0.000) 7.742 16.529 ( 0.000 -7.482 0.000) 7.482 16.665 ( 0.000 -9.797 0.000) 9.797 16.722 ( 0.000 -16.094 0.000) 16.094 17.526 ( 0.000 6.070 0.000) 6.070 17.950 ( 0.000 -6.997 0.000) 6.997 18.181 ( 0.000 3.179 0.000) 3.179 18.597 ( 0.000 -10.365 0.000) 10.365 ======================= Grid point 31 (20/144) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -0.477 13.393 0.000) 13.402 2.849 ( -2.465 10.619 0.000) 10.901 2.890 ( 7.776 8.600 0.000) 11.595 3.198 ( -3.183 3.419 0.000) 4.671 3.450 ( 0.615 -8.925 0.000) 8.946 3.522 ( 7.622 -7.873 0.000) 10.958 3.722 ( -6.303 -3.804 0.000) 7.362 3.961 ( -4.202 -11.473 0.000) 12.218 5.334 ( 3.057 15.581 0.000) 15.878 5.494 ( 4.997 10.132 0.000) 11.297 5.593 ( -3.607 17.402 0.000) 17.772 5.872 ( -4.504 9.581 0.000) 10.587 7.224 ( 0.619 18.882 0.000) 18.892 7.473 ( -7.301 20.755 0.000) 22.002 7.562 ( 5.695 6.892 0.000) 8.940 7.773 ( 2.927 14.707 0.000) 14.996 8.262 ( 3.478 1.258 0.000) 3.698 8.692 ( -7.725 6.404 0.000) 10.034 8.963 ( 2.610 2.343 0.000) 3.507 9.093 ( -2.623 -9.573 0.000) 9.926 9.514 ( 2.326 0.388 0.000) 2.358 9.714 ( -2.618 -0.427 0.000) 2.653 9.989 ( 1.184 -8.222 0.000) 8.307 10.002 ( -0.765 -15.360 0.000) 15.379 10.263 ( 11.895 4.513 0.000) 12.722 10.551 ( 4.347 -2.892 0.000) 5.221 10.614 ( -0.960 6.968 0.000) 7.034 10.933 ( -5.131 -3.705 0.000) 6.328 11.074 ( 4.814 12.962 0.000) 13.827 11.552 ( 3.057 2.921 0.000) 4.229 11.651 ( -8.183 1.780 0.000) 8.374 11.772 ( -2.393 5.202 0.000) 5.726 12.587 ( -0.696 2.521 0.000) 2.615 12.682 ( -3.710 7.229 0.000) 8.125 13.106 ( 3.494 -1.159 0.000) 3.681 13.235 ( -0.650 -14.975 0.000) 14.989 14.120 ( -1.291 -1.719 0.000) 2.150 14.293 ( 6.709 -4.921 0.000) 8.321 14.305 ( -4.403 11.658 0.000) 12.462 14.684 ( -5.009 -2.151 0.000) 5.452 16.014 ( 3.057 7.069 0.000) 7.702 16.405 ( -9.861 -2.938 0.000) 10.289 16.710 ( 2.086 -12.886 0.000) 13.053 16.723 ( 0.076 -15.938 0.000) 15.939 17.618 ( 9.227 5.254 0.000) 10.619 18.028 ( 8.151 -7.401 0.000) 11.009 18.135 ( -4.944 3.192 0.000) 5.885 18.548 ( -5.419 -10.128 0.000) 11.487 ======================= Grid point 32 (21/144) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 3.291 12.635 0.000) 13.057 2.775 ( -5.073 11.121 0.000) 12.223 3.040 ( 8.044 7.680 0.000) 11.121 3.152 ( -3.750 7.897 0.000) 8.742 3.465 ( 3.518 -9.720 0.000) 10.337 3.582 ( -8.269 -5.956 0.000) 10.191 3.692 ( 9.640 -8.998 0.000) 13.186 3.851 ( -7.757 -10.403 0.000) 12.977 5.410 ( 5.076 15.983 0.000) 16.770 5.508 ( -5.436 16.757 0.000) 17.617 5.615 ( 7.876 9.991 0.000) 12.722 5.759 ( -7.585 9.731 0.000) 12.338 7.259 ( 3.414 19.079 0.000) 19.382 7.347 ( -6.210 19.580 0.000) 20.541 7.680 ( 6.592 7.943 0.000) 10.322 7.773 ( -3.035 10.906 0.000) 11.320 8.368 ( 8.032 4.412 0.000) 9.164 8.531 ( -9.508 6.160 0.000) 11.329 9.002 ( 1.924 0.947 0.000) 2.144 9.042 ( -2.618 -3.097 0.000) 4.055 9.580 ( 4.432 -1.650 0.000) 4.729 9.656 ( -3.766 -1.949 0.000) 4.240 9.994 ( 0.097 -12.614 0.000) 12.614 10.000 ( -0.135 -10.131 0.000) 10.132 10.501 ( 11.728 3.499 0.000) 12.239 10.596 ( -1.348 6.640 0.000) 6.776 10.630 ( 5.047 -1.567 0.000) 5.284 10.792 ( -10.223 -3.344 0.000) 10.756 11.223 ( 11.410 8.245 0.000) 14.077 11.453 ( -12.925 3.899 0.000) 13.500 11.625 ( 4.717 3.319 0.000) 5.768 11.710 ( -4.355 4.251 0.000) 6.086 12.583 ( 0.611 4.288 0.000) 4.332 12.616 ( -3.045 6.135 0.000) 6.849 13.170 ( 3.188 -5.806 0.000) 6.624 13.214 ( -1.756 -11.190 0.000) 11.327 14.133 ( 2.736 3.164 0.000) 4.183 14.210 ( -5.414 8.357 0.000) 9.958 14.425 ( 7.795 -4.124 0.000) 8.819 14.567 ( -7.556 -2.993 0.000) 8.127 16.097 ( 6.066 5.074 0.000) 7.908 16.232 ( -8.816 1.766 0.000) 8.992 16.725 ( 0.159 -15.485 0.000) 15.486 16.726 ( 0.126 -14.672 0.000) 14.673 17.815 ( 11.517 3.960 0.000) 12.179 18.006 ( -9.186 3.340 0.000) 9.775 18.212 ( 11.332 -8.383 0.000) 14.096 18.408 ( -9.741 -9.427 0.000) 13.556 ======================= Grid point 35 (22/144) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 0.000 7.070 0.000) 7.070 2.939 ( 0.000 3.551 0.000) 3.551 3.056 ( 0.000 8.624 0.000) 8.624 3.207 ( 0.000 -5.568 0.000) 5.568 3.325 ( 0.000 -1.472 0.000) 1.472 3.336 ( 0.000 -3.875 0.000) 3.875 3.729 ( 0.000 -0.998 0.000) 0.998 3.792 ( 0.000 -7.624 0.000) 7.624 5.524 ( 0.000 6.474 0.000) 6.474 5.568 ( 0.000 1.975 0.000) 1.975 5.908 ( 0.000 9.934 0.000) 9.934 6.009 ( 0.000 -0.077 0.000) 0.077 7.517 ( 0.000 9.556 0.000) 9.556 7.593 ( 0.000 1.300 0.000) 1.300 7.933 ( 0.000 6.869 0.000) 6.869 7.940 ( 0.000 9.325 0.000) 9.325 8.342 ( 0.000 14.541 0.000) 14.541 8.755 ( 0.000 -22.108 0.000) 22.108 8.882 ( 0.000 3.528 0.000) 3.528 8.925 ( 0.000 -1.225 0.000) 1.225 9.565 ( 0.000 5.650 0.000) 5.650 9.729 ( 0.000 -11.079 0.000) 11.079 9.774 ( 0.000 2.445 0.000) 2.445 9.846 ( 0.000 -5.020 0.000) 5.020 10.285 ( 0.000 7.315 0.000) 7.315 10.417 ( 0.000 -5.663 0.000) 5.663 10.764 ( 0.000 6.804 0.000) 6.804 10.886 ( 0.000 -5.432 0.000) 5.432 11.306 ( 0.000 12.083 0.000) 12.083 11.490 ( 0.000 -5.873 0.000) 5.873 11.775 ( 0.000 3.483 0.000) 3.483 11.836 ( 0.000 -1.442 0.000) 1.442 12.702 ( 0.000 9.006 0.000) 9.006 12.884 ( 0.000 8.123 0.000) 8.123 12.936 ( 0.000 -13.971 0.000) 13.971 13.021 ( 0.000 -5.045 0.000) 5.045 14.107 ( 0.000 -0.786 0.000) 0.786 14.128 ( 0.000 -2.758 0.000) 2.758 14.553 ( 0.000 7.994 0.000) 7.994 14.673 ( 0.000 -4.256 0.000) 4.256 16.169 ( 0.000 10.816 0.000) 10.816 16.419 ( 0.000 -14.093 0.000) 14.093 16.447 ( 0.000 -0.574 0.000) 0.574 16.504 ( 0.000 -5.926 0.000) 5.926 17.660 ( 0.000 7.172 0.000) 7.172 17.806 ( 0.000 -7.348 0.000) 7.348 18.271 ( 0.000 5.885 0.000) 5.885 18.412 ( 0.000 -8.218 0.000) 8.218 ======================= Grid point 36 (23/144) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 0.702 9.244 0.000) 9.271 2.995 ( 4.921 0.679 0.000) 4.968 3.045 ( -1.725 9.424 0.000) 9.581 3.224 ( 2.300 -6.435 0.000) 6.833 3.305 ( -1.744 0.843 0.000) 1.936 3.391 ( 5.555 -5.670 0.000) 7.937 3.668 ( -6.259 0.022 0.000) 6.259 3.756 ( -4.060 -8.301 0.000) 9.241 5.558 ( 3.729 6.949 0.000) 7.886 5.611 ( 4.631 1.623 0.000) 4.907 5.869 ( -4.140 9.747 0.000) 10.589 5.968 ( -4.415 -0.029 0.000) 4.415 7.529 ( 1.725 10.909 0.000) 11.045 7.640 ( 4.633 -0.201 0.000) 4.638 7.821 ( -7.547 12.711 0.000) 14.783 7.948 ( -2.780 0.776 0.000) 2.886 8.412 ( 6.917 15.380 0.000) 16.864 8.791 ( 3.491 -19.435 0.000) 19.746 8.823 ( -5.271 6.582 0.000) 8.433 8.937 ( 0.056 -4.212 0.000) 4.212 9.573 ( 1.147 5.627 0.000) 5.743 9.736 ( 0.918 -10.779 0.000) 10.818 9.743 ( -3.057 3.218 0.000) 4.439 9.840 ( -0.929 -6.420 0.000) 6.487 10.369 ( 8.566 5.716 0.000) 10.297 10.476 ( 5.958 -4.746 0.000) 7.617 10.748 ( -1.800 6.008 0.000) 6.272 10.851 ( -3.946 -4.523 0.000) 6.003 11.332 ( 3.000 11.895 0.000) 12.267 11.517 ( 2.940 -6.045 0.000) 6.722 11.716 ( -6.251 4.492 0.000) 7.698 11.797 ( -4.068 -2.478 0.000) 4.763 12.707 ( 0.714 9.534 0.000) 9.561 12.850 ( -3.306 9.082 0.000) 9.665 12.945 ( 0.938 -13.733 0.000) 13.765 13.018 ( -0.563 -7.106 0.000) 7.129 14.126 ( 3.236 2.209 0.000) 3.918 14.196 ( 6.145 -4.506 0.000) 7.620 14.500 ( -5.634 7.815 0.000) 9.634 14.620 ( -5.575 -4.451 0.000) 7.134 16.185 ( 1.671 10.253 0.000) 10.388 16.394 ( -4.766 2.179 0.000) 5.241 16.424 ( 0.643 -13.729 0.000) 13.744 16.498 ( -1.058 -8.173 0.000) 8.241 17.740 ( 8.091 6.758 0.000) 10.542 17.881 ( 7.733 -7.333 0.000) 10.657 18.227 ( -4.905 5.874 0.000) 7.653 18.366 ( -5.030 -8.100 0.000) 9.535 ======================= Grid point 37 (24/144) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 2.851 11.101 0.000) 11.461 2.994 ( -3.453 10.990 0.000) 11.519 3.097 ( 6.114 -3.423 0.000) 7.006 3.201 ( -4.896 -8.006 0.000) 9.385 3.362 ( 7.848 4.969 0.000) 9.289 3.514 ( 7.647 -8.640 0.000) 11.538 3.523 ( -9.159 2.136 0.000) 9.404 3.652 ( -7.129 -9.165 0.000) 11.611 5.651 ( 6.236 8.030 0.000) 10.167 5.723 ( 7.330 0.881 0.000) 7.382 5.770 ( -6.481 9.100 0.000) 11.172 5.859 ( -7.228 0.253 0.000) 7.232 7.585 ( 4.494 12.912 0.000) 13.671 7.688 ( -6.760 13.784 0.000) 15.353 7.743 ( 6.496 -2.396 0.000) 6.923 7.861 ( -6.148 -2.714 0.000) 6.720 8.558 ( 8.583 14.199 0.000) 16.592 8.706 ( -7.519 10.865 0.000) 13.213 8.861 ( 3.816 -14.052 0.000) 14.560 8.917 ( -2.217 -8.795 0.000) 9.070 9.612 ( 3.089 5.035 0.000) 5.907 9.678 ( -3.927 4.207 0.000) 5.755 9.765 ( 2.226 -9.943 0.000) 10.189 9.809 ( -2.370 -8.542 0.000) 8.865 10.555 ( 10.815 2.492 0.000) 11.098 10.601 ( 7.058 -1.900 0.000) 7.309 10.695 ( -4.367 3.263 0.000) 5.451 10.741 ( -8.067 -2.002 0.000) 8.312 11.421 ( 6.886 10.422 0.000) 12.491 11.570 ( -9.033 7.263 0.000) 11.591 11.593 ( 5.373 -5.950 0.000) 8.017 11.701 ( -6.137 -4.594 0.000) 7.666 12.732 ( 2.124 10.343 0.000) 10.558 12.784 ( -3.521 10.258 0.000) 10.846 12.968 ( 1.573 -12.736 0.000) 12.833 12.998 ( -1.536 -10.483 0.000) 10.595 14.223 ( 7.198 5.372 0.000) 8.982 14.331 ( 8.462 -5.233 0.000) 9.949 14.368 ( -8.284 7.109 0.000) 10.917 14.488 ( -8.498 -4.934 0.000) 9.826 16.230 ( 3.331 8.578 0.000) 9.202 16.304 ( -4.766 5.832 0.000) 7.532 16.442 ( 1.291 -12.642 0.000) 12.708 16.470 ( -1.733 -10.811 0.000) 10.949 17.918 ( 10.709 6.158 0.000) 12.353 18.054 ( 10.599 -7.468 0.000) 12.966 18.100 ( -8.923 5.903 0.000) 10.699 18.237 ( -9.048 -7.796 0.000) 11.943 ======================= Grid point 75 (25/144) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 0.000 27.294) 27.294 0.639 ( 0.000 0.000 32.691) 32.691 1.015 ( 0.000 0.000 52.104) 52.104 1.661 ( 0.000 0.000 3.308) 3.308 2.166 ( 0.000 0.000 -3.861) 3.861 2.412 ( 0.000 0.000 1.026) 1.026 2.742 ( 0.000 0.000 -0.558) 0.558 3.291 ( 0.000 0.000 -10.560) 10.560 4.222 ( 0.000 0.000 -12.383) 12.383 4.373 ( 0.000 0.000 -6.386) 6.386 4.437 ( 0.000 0.000 13.465) 13.465 4.666 ( 0.000 0.000 8.341) 8.341 6.081 ( 0.000 0.000 1.260) 1.260 6.107 ( 0.000 0.000 1.603) 1.603 6.999 ( 0.000 0.000 -13.148) 13.148 7.252 ( 0.000 0.000 10.777) 10.777 7.641 ( 0.000 0.000 18.190) 18.190 7.673 ( 0.000 0.000 0.982) 0.982 7.998 ( 0.000 0.000 -0.335) 0.335 8.698 ( 0.000 0.000 1.528) 1.528 8.727 ( 0.000 0.000 1.444) 1.444 9.304 ( 0.000 0.000 -11.131) 11.131 9.928 ( 0.000 0.000 5.010) 5.010 10.312 ( 0.000 0.000 0.399) 0.399 10.357 ( 0.000 0.000 3.310) 3.310 10.557 ( 0.000 0.000 -6.415) 6.415 10.563 ( 0.000 0.000 -8.369) 8.369 10.605 ( 0.000 0.000 -0.630) 0.630 11.352 ( 0.000 0.000 1.159) 1.159 11.509 ( 0.000 0.000 -11.961) 11.961 11.649 ( 0.000 0.000 5.697) 5.697 11.722 ( 0.000 0.000 -6.492) 6.492 11.747 ( 0.000 0.000 -1.772) 1.772 11.887 ( 0.000 0.000 3.473) 3.473 12.237 ( 0.000 0.000 2.932) 2.932 12.298 ( 0.000 0.000 5.860) 5.860 12.743 ( 0.000 0.000 -0.413) 0.413 14.126 ( 0.000 0.000 -23.392) 23.392 14.525 ( 0.000 0.000 -0.343) 0.343 14.667 ( 0.000 0.000 -12.280) 12.280 15.510 ( 0.000 0.000 17.482) 17.482 16.764 ( 0.000 0.000 -14.760) 14.760 17.864 ( 0.000 0.000 -2.377) 2.377 17.973 ( 0.000 0.000 -5.406) 5.406 18.272 ( 0.000 0.000 11.413) 11.413 18.501 ( 0.000 0.000 7.774) 7.774 20.249 ( 0.000 0.000 4.720) 4.720 20.832 ( 0.000 0.000 -1.898) 1.898 ======================= Grid point 76 (26/144) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 15.472 0.000 19.936) 25.235 0.737 ( 18.497 0.000 19.889) 27.161 1.499 ( 39.647 0.000 35.814) 53.428 1.565 ( -10.025 0.000 4.320) 10.916 2.023 ( -14.481 0.000 -2.473) 14.690 2.462 ( 4.824 0.000 0.680) 4.872 2.719 ( -2.444 0.000 -0.490) 2.492 3.378 ( 1.069 0.000 -15.754) 15.791 3.956 ( -17.982 0.000 8.072) 19.710 4.320 ( -6.944 0.000 -8.119) 10.683 4.502 ( 5.212 0.000 0.311) 5.221 4.715 ( 2.401 0.000 6.158) 6.610 6.084 ( 0.298 0.000 1.284) 1.318 6.105 ( -0.243 0.000 1.560) 1.579 6.918 ( 4.503 0.000 -3.061) 5.445 7.335 ( -2.111 0.000 4.566) 5.030 7.700 ( 2.885 0.000 0.917) 3.027 7.961 ( -3.850 0.000 -0.123) 3.852 8.236 ( 35.316 0.000 -17.028) 39.206 8.705 ( 0.656 0.000 1.459) 1.599 8.727 ( -0.013 0.000 1.421) 1.421 9.099 ( -15.788 0.000 -4.151) 16.324 9.782 ( -1.246 0.000 11.251) 11.319 10.258 ( -8.677 0.000 4.205) 9.643 10.558 ( 0.127 0.000 -6.931) 6.932 10.565 ( 0.143 0.000 -7.978) 7.979 10.608 ( 7.911 0.000 -1.365) 8.028 10.789 ( 15.145 0.000 -1.676) 15.238 11.372 ( 2.215 0.000 1.349) 2.593 11.525 ( 1.864 0.000 -10.596) 10.759 11.597 ( -4.454 0.000 3.622) 5.741 11.692 ( -3.112 0.000 -5.190) 6.051 11.784 ( 2.828 0.000 0.411) 2.858 11.881 ( -0.632 0.000 3.272) 3.332 11.907 ( -8.316 0.000 9.030) 12.276 12.261 ( -5.460 0.000 4.796) 7.267 13.491 ( 40.911 0.000 -48.640) 63.558 14.136 ( 0.542 0.000 -26.936) 26.942 14.516 ( 0.061 0.000 -0.860) 0.863 14.671 ( -0.267 0.000 -10.020) 10.024 15.574 ( 6.974 0.000 17.885) 19.197 16.454 ( -26.061 0.000 13.387) 29.299 17.719 ( -4.574 0.000 -2.068) 5.019 17.931 ( -4.779 0.000 -4.965) 6.891 18.385 ( 6.279 0.000 5.395) 8.278 18.526 ( 1.280 0.000 7.525) 7.633 20.235 ( -0.875 0.000 5.611) 5.679 20.525 ( -17.198 0.000 17.896) 24.820 ======================= Grid point 77 (27/144) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 18.288 0.000 11.808) 21.769 1.184 ( 27.268 0.000 4.031) 27.565 1.326 ( -15.822 0.000 7.048) 17.321 1.651 ( -23.254 0.000 -0.897) 23.271 2.290 ( 43.398 0.000 21.490) 48.427 2.561 ( 5.721 0.000 0.125) 5.723 2.656 ( -4.522 0.000 -0.273) 4.530 3.030 ( -35.892 0.000 5.413) 36.298 3.916 ( 10.415 0.000 -1.549) 10.530 4.140 ( -12.310 0.000 -6.505) 13.923 4.609 ( 6.193 0.000 -1.341) 6.336 4.703 ( -3.572 0.000 1.440) 3.852 6.091 ( 0.459 0.000 1.354) 1.430 6.099 ( -0.425 0.000 1.459) 1.520 7.072 ( 10.322 0.000 -3.046) 10.762 7.242 ( -7.747 0.000 0.791) 7.787 7.773 ( 5.036 0.000 0.699) 5.084 7.872 ( -5.604 0.000 0.316) 5.613 8.655 ( 14.422 0.000 -9.590) 17.319 8.718 ( 0.608 0.000 1.372) 1.501 8.725 ( -0.239 0.000 1.374) 1.395 8.862 ( -10.769 0.000 -2.808) 11.129 9.861 ( 8.742 0.000 7.310) 11.396 10.060 ( -12.135 0.000 5.231) 13.214 10.562 ( 0.263 0.000 -7.405) 7.410 10.566 ( -0.101 0.000 -7.701) 7.702 10.748 ( 8.020 0.000 1.990) 8.263 10.868 ( -3.751 0.000 5.503) 6.660 11.429 ( 3.989 0.000 1.814) 4.382 11.511 ( -4.864 0.000 2.463) 5.452 11.573 ( 3.151 0.000 -7.936) 8.539 11.633 ( -3.338 0.000 -6.188) 7.031 11.831 ( 2.230 0.000 1.823) 2.880 11.863 ( -1.378 0.000 2.706) 3.037 11.943 ( 8.659 0.000 2.115) 8.914 12.121 ( -9.597 0.000 3.509) 10.219 13.958 ( 14.253 0.000 -46.440) 48.578 14.111 ( -4.132 0.000 -35.663) 35.902 14.558 ( 4.359 0.000 -3.408) 5.533 14.637 ( -3.553 0.000 -7.396) 8.205 15.752 ( 12.564 0.000 20.212) 23.799 16.034 ( -19.210 0.000 23.155) 30.086 17.729 ( 4.013 0.000 -7.154) 8.202 17.827 ( -6.176 0.000 -6.608) 9.045 18.473 ( 3.768 0.000 6.718) 7.703 18.522 ( -1.600 0.000 7.745) 7.909 20.248 ( 2.621 0.000 8.257) 8.663 20.330 ( -6.599 0.000 13.142) 14.706 ======================= Grid point 80 (28/144) ======================= q-point: ( 0.00 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.000 15.801 23.613) 28.412 0.851 ( 0.000 18.793 23.753) 30.289 1.504 ( 0.000 44.071 29.230) 52.883 2.009 ( 0.000 30.305 2.735) 30.428 2.176 ( 0.000 1.658 -2.970) 3.402 2.579 ( 0.000 15.296 1.357) 15.356 2.961 ( 0.000 20.543 -0.661) 20.554 3.319 ( 0.000 2.958 -10.555) 10.962 4.198 ( 0.000 0.720 -12.768) 12.788 4.342 ( 0.000 -2.937 -5.487) 6.223 4.433 ( 0.000 0.157 11.698) 11.699 4.671 ( 0.000 0.453 7.840) 7.853 6.137 ( 0.000 2.265 2.108) 3.095 6.164 ( 0.000 8.099 1.778) 8.292 6.741 ( 0.000 -7.412 -1.095) 7.493 7.217 ( 0.000 -2.677 8.772) 9.171 7.545 ( 0.000 2.757 15.160) 15.409 8.220 ( 0.000 20.120 0.642) 20.130 8.717 ( 0.000 5.085 -4.046) 6.498 8.820 ( 0.000 6.723 2.209) 7.076 8.975 ( 0.000 39.126 -23.772) 45.782 9.325 ( 0.000 2.192 -11.119) 11.333 9.891 ( 0.000 -1.194 4.126) 4.296 10.339 ( 0.000 -0.657 0.340) 0.740 10.427 ( 0.000 1.733 -12.648) 12.767 10.566 ( 0.000 -0.168 -5.411) 5.413 10.605 ( 0.000 0.288 -0.421) 0.510 10.764 ( 0.000 -8.323 -5.751) 10.116 11.076 ( 0.000 -11.986 5.664) 13.257 11.360 ( 0.000 -9.938 -15.520) 18.429 11.754 ( 0.000 5.640 -4.698) 7.341 11.875 ( 0.000 3.144 7.601) 8.226 11.928 ( 0.000 8.235 0.151) 8.237 11.936 ( 0.000 18.719 -5.843) 19.610 12.342 ( 0.000 4.517 1.969) 4.928 12.788 ( 0.000 4.929 -0.259) 4.936 13.012 ( 0.000 51.472 -67.007) 84.494 14.155 ( 0.000 3.153 -23.575) 23.785 14.520 ( 0.000 -0.557 0.117) 0.569 14.739 ( 0.000 5.629 -9.238) 10.818 15.522 ( 0.000 1.646 14.526) 14.619 16.768 ( 0.000 0.445 -14.767) 14.773 17.819 ( 0.000 -4.773 0.583) 4.809 17.935 ( 0.000 -3.838 -5.814) 6.966 18.206 ( 0.000 -6.479 12.172) 13.789 18.457 ( 0.000 -4.459 7.973) 9.135 19.686 ( 0.000 -63.257 61.557) 88.265 20.136 ( 0.000 -10.981 4.503) 11.868 ======================= Grid point 81 (29/144) ======================= q-point: ( 0.20 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 15.983 15.535 13.058) 25.833 1.110 ( 16.595 23.379 15.458) 32.572 1.767 ( 26.546 29.516 26.592) 47.781 1.909 ( -10.024 28.708 3.473) 30.605 2.054 ( -12.026 4.478 -0.858) 12.862 2.636 ( 5.331 16.298 0.984) 17.176 2.939 ( -2.389 20.469 -0.588) 20.616 3.394 ( 2.805 2.366 -14.285) 14.748 3.956 ( -17.329 1.836 7.200) 18.855 4.295 ( -6.681 -2.241 -7.612) 10.373 4.486 ( 4.735 -0.796 -0.267) 4.808 4.708 ( 1.585 -0.694 5.569) 5.831 6.137 ( 0.072 2.646 2.094) 3.375 6.155 ( -0.706 6.788 1.836) 7.067 6.819 ( 7.994 -5.755 -0.986) 9.899 7.200 ( -2.151 -4.267 8.176) 9.470 7.696 ( 13.618 0.583 8.852) 16.253 8.215 ( -1.012 22.308 0.532) 22.337 8.669 ( -5.065 0.013 -0.730) 5.117 8.749 ( -7.008 11.656 -3.189) 13.969 9.022 ( 4.888 30.512 -19.802) 36.701 9.278 ( -4.311 11.377 -9.589) 15.491 9.823 ( -2.833 3.693 7.387) 8.731 10.260 ( -8.605 0.087 0.846) 8.647 10.482 ( 4.004 -3.747 -7.497) 9.288 10.571 ( -1.583 -3.132 -2.731) 4.447 10.580 ( 1.519 -3.434 -2.460) 4.489 10.824 ( -0.533 -0.519 1.575) 1.742 11.049 ( 3.172 -17.511 1.387) 17.850 11.372 ( 0.949 -8.663 -14.467) 16.889 11.726 ( -3.059 3.713 -2.946) 5.641 11.853 ( -3.582 1.186 7.171) 8.103 11.924 ( 0.746 11.094 -1.997) 11.297 11.974 ( 2.852 17.485 -1.322) 17.766 12.185 ( -16.500 17.429 2.450) 24.125 12.355 ( -7.647 10.704 0.497) 13.164 13.649 ( 29.694 12.632 -55.314) 64.039 14.164 ( 0.306 2.866 -26.981) 27.134 14.525 ( 1.284 0.640 -0.397) 1.488 14.728 ( -1.521 4.554 -8.206) 9.508 15.585 ( 6.783 1.358 15.305) 16.796 16.465 ( -25.825 1.128 10.884) 28.047 17.685 ( -3.854 -3.480 -2.285) 5.673 17.899 ( -4.571 -3.243 -4.968) 7.490 18.335 ( 6.878 -5.022 5.064) 9.908 18.475 ( 0.902 -5.020 7.851) 9.362 19.841 ( 11.498 -44.820 34.108) 57.484 20.135 ( -0.560 -13.502 6.884) 15.167 ======================= Grid point 82 (30/144) ======================= q-point: ( 0.40 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 24.455 10.476 2.388) 26.711 1.403 ( 16.123 28.000 9.625) 33.714 1.672 ( -15.834 24.633 3.619) 29.506 1.717 ( -20.374 10.096 1.441) 22.784 2.403 ( 36.159 14.349 17.899) 42.822 2.730 ( 3.231 15.904 1.379) 16.287 2.884 ( -2.659 20.605 -0.057) 20.776 3.127 ( -29.257 10.369 2.187) 31.117 3.903 ( 9.923 -0.503 -0.067) 9.936 4.121 ( -11.953 -1.580 -5.798) 13.379 4.588 ( 6.154 -1.631 -2.034) 6.683 4.686 ( -3.894 -1.617 0.940) 4.320 6.139 ( 0.179 3.555 2.054) 4.110 6.145 ( -0.430 4.866 1.970) 5.268 6.987 ( 9.392 -5.021 0.825) 10.682 7.129 ( -5.927 -5.142 4.794) 9.195 7.945 ( 13.000 7.339 1.109) 14.969 8.144 ( -7.961 20.300 -1.199) 21.838 8.587 ( -1.253 -1.956 1.001) 2.529 8.634 ( -5.163 8.323 -1.393) 9.893 9.118 ( 5.066 24.366 -11.928) 27.597 9.200 ( -4.203 20.640 -7.463) 22.347 9.868 ( 7.500 1.387 7.475) 10.679 10.059 ( -12.327 0.235 4.628) 13.169 10.533 ( 1.677 -5.440 -5.311) 7.785 10.552 ( -0.741 -5.586 -3.691) 6.736 10.634 ( 4.328 -6.307 0.655) 7.677 10.731 ( -6.241 -6.840 4.995) 10.521 11.208 ( 10.474 -9.783 -5.370) 15.305 11.354 ( -4.463 -6.636 -10.638) 13.308 11.681 ( -0.057 1.247 0.832) 1.500 11.745 ( -6.242 0.863 4.160) 7.551 11.948 ( 1.646 10.424 2.087) 10.758 11.979 ( -1.852 13.087 3.655) 13.713 12.119 ( 5.411 13.269 0.109) 14.330 12.239 ( -6.807 10.099 0.705) 12.199 13.999 ( 11.567 3.110 -42.969) 44.607 14.134 ( -4.194 1.985 -33.640) 33.959 14.586 ( 5.069 2.414 -3.996) 6.892 14.676 ( -4.249 3.243 -6.883) 8.715 15.759 ( 12.458 0.881 18.125) 22.011 16.043 ( -19.487 0.986 20.845) 28.552 17.701 ( 4.079 -2.846 -7.476) 8.979 17.798 ( -6.058 -2.930 -6.722) 9.512 18.425 ( 3.602 -4.745 6.474) 8.798 18.470 ( -1.434 -5.081 7.743) 9.371 20.006 ( 6.892 -24.639 14.635) 29.475 20.100 ( -3.536 -17.088 9.724) 19.977 ======================= Grid point 85 (31/144) ======================= q-point: ( 0.00 0.13 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 21.838 12.609) 25.217 1.259 ( 0.000 22.321 12.903) 25.781 2.178 ( 0.000 7.299 3.295) 8.009 2.530 ( 0.000 46.698 10.769) 47.923 2.662 ( 0.000 30.867 2.282) 30.951 2.944 ( 0.000 19.373 2.119) 19.488 3.376 ( 0.000 8.644 -10.397) 13.521 3.518 ( 0.000 27.540 -1.098) 27.562 4.255 ( 0.000 4.932 -13.856) 14.708 4.263 ( 0.000 -4.784 -2.745) 5.515 4.480 ( 0.000 5.851 6.683) 8.882 4.678 ( 0.000 0.119 6.066) 6.068 6.198 ( 0.000 4.243 4.067) 5.877 6.388 ( 0.000 13.991 3.013) 14.311 6.630 ( 0.000 -3.670 4.315) 5.665 7.178 ( 0.000 -0.685 5.546) 5.589 7.708 ( 0.000 13.564 7.544) 15.521 8.678 ( 0.000 22.792 1.771) 22.861 8.701 ( 0.000 -4.485 0.083) 4.486 8.860 ( 0.000 -4.083 3.219) 5.200 9.401 ( 0.000 5.532 -10.942) 12.261 9.614 ( 0.000 26.778 -13.845) 30.146 9.990 ( 0.000 11.591 1.602) 11.701 10.288 ( 0.000 -12.574 -4.170) 13.248 10.347 ( 0.000 -14.385 -0.609) 14.398 10.449 ( 0.000 1.409 -4.871) 5.071 10.530 ( 0.000 -3.171 -5.305) 6.180 10.621 ( 0.000 1.556 1.449) 2.126 10.964 ( 0.000 -3.364 12.693) 13.131 11.170 ( 0.000 -9.233 -17.708) 19.971 11.795 ( 0.000 0.036 -4.325) 4.325 11.857 ( 0.000 -3.223 11.557) 11.998 12.162 ( 0.000 13.534 1.342) 13.600 12.259 ( 0.000 12.159 1.644) 12.270 12.456 ( 0.000 5.946 -2.664) 6.516 12.962 ( 0.000 12.911 -0.060) 12.911 13.635 ( 0.000 13.639 -61.819) 63.306 14.261 ( 0.000 7.288 -28.015) 28.947 14.500 ( 0.000 -1.527 1.246) 1.971 14.797 ( 0.000 -0.956 0.549) 1.103 15.584 ( 0.000 4.225 7.432) 8.549 16.781 ( 0.000 0.770 -14.687) 14.707 17.665 ( 0.000 -10.525 7.843) 13.125 17.814 ( 0.000 -8.597 -7.085) 11.140 18.031 ( 0.000 -10.417 14.484) 17.841 18.326 ( 0.000 -8.178 7.775) 11.284 18.873 ( 0.000 -22.778 40.868) 46.787 19.842 ( 0.000 -17.635 3.767) 18.033 ======================= Grid point 86 (32/144) ======================= q-point: ( 0.20 0.13 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 11.368 22.810 5.559) 26.086 1.475 ( 18.660 16.089 13.442) 28.067 2.115 ( -7.772 7.069 0.862) 10.541 2.502 ( -13.339 26.268 3.521) 29.670 2.627 ( 10.698 45.454 12.529) 48.347 3.049 ( 8.125 23.471 1.218) 24.867 3.403 ( 0.349 16.350 -7.864) 18.146 3.534 ( 2.328 19.441 -5.752) 20.407 4.057 ( -14.831 7.926 3.753) 17.230 4.248 ( -5.603 -1.499 -6.663) 8.834 4.490 ( 2.210 1.843 -1.325) 3.168 4.693 ( -0.083 -0.540 3.840) 3.879 6.204 ( 0.664 4.352 4.225) 6.101 6.327 ( -4.404 9.506 3.516) 11.051 6.753 ( 10.658 0.182 3.925) 11.359 7.170 ( -1.581 0.533 5.800) 6.035 7.805 ( 10.489 10.638 4.812) 15.695 8.630 ( -7.926 -2.696 0.035) 8.371 8.690 ( 0.422 22.169 1.661) 22.235 8.841 ( -2.015 -2.514 2.749) 4.235 9.381 ( 0.830 4.116 -13.318) 13.964 9.619 ( -0.368 23.614 -12.788) 26.857 9.973 ( -1.391 11.886 2.826) 12.297 10.243 ( -5.448 -3.152 -3.226) 7.073 10.300 ( -2.138 -14.631 0.384) 14.792 10.434 ( -1.638 -0.783 -2.031) 2.724 10.574 ( 2.549 -0.763 -4.864) 5.544 10.755 ( 9.477 -3.123 0.407) 9.987 10.900 ( -2.119 -1.130 8.250) 8.592 11.210 ( 3.337 -7.780 -15.494) 17.655 11.749 ( -4.553 -0.788 -3.325) 5.692 11.818 ( -4.837 -3.598 11.060) 12.596 12.165 ( 0.855 13.336 -0.213) 13.365 12.289 ( 2.946 11.935 2.898) 12.630 12.420 ( -4.310 7.942 -3.147) 9.569 12.678 ( -19.710 19.470 -3.578) 27.935 13.838 ( 14.083 4.898 -45.462) 47.845 14.245 ( -2.252 4.640 -27.490) 27.970 14.536 ( 4.096 0.565 -1.406) 4.367 14.779 ( -2.026 -0.546 -0.298) 2.120 15.636 ( 5.767 3.604 8.912) 11.210 16.496 ( -24.676 1.786 5.097) 25.260 17.582 ( -1.456 -6.725 -3.563) 7.748 17.800 ( -3.710 -6.833 -4.986) 9.236 18.184 ( 8.737 -10.322 7.155) 15.299 18.336 ( 0.561 -8.262 7.210) 10.980 19.102 ( 21.136 -27.140 30.894) 46.236 19.810 ( -3.659 -18.774 4.942) 19.756 ======================= Grid point 87 (33/144) ======================= q-point: ( 0.40 0.13 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 17.787 17.235 0.968) 24.786 1.806 ( 7.295 10.567 6.367) 14.332 1.933 ( -2.407 17.010 2.434) 17.351 2.213 ( -17.890 21.102 5.530) 28.212 2.926 ( 20.074 35.180 9.043) 41.501 3.158 ( 0.600 25.847 1.314) 25.887 3.364 ( -2.440 23.916 -3.014) 24.229 3.464 ( -12.100 23.556 -2.234) 26.576 3.931 ( 4.992 4.521 3.512) 7.595 4.097 ( -10.197 0.017 -3.856) 10.902 4.560 ( 5.051 -0.754 -3.155) 6.003 4.651 ( -4.281 -1.380 -0.224) 4.504 6.224 ( 1.536 4.981 4.285) 6.747 6.262 ( -2.782 6.529 4.003) 8.148 6.950 ( 10.267 1.826 4.210) 11.246 7.102 ( -6.196 1.933 5.309) 8.386 8.063 ( 17.173 6.890 0.413) 18.508 8.386 ( -17.356 4.639 -1.279) 18.010 8.727 ( 3.236 11.126 1.909) 11.743 8.791 ( -3.443 2.713 2.224) 4.915 9.469 ( 7.404 8.076 -14.553) 18.216 9.582 ( -4.118 17.651 -14.162) 23.001 9.973 ( 2.522 9.342 5.647) 11.203 10.088 ( -9.532 2.909 3.416) 10.536 10.317 ( 3.054 -9.830 0.235) 10.296 10.384 ( -3.736 -5.157 -0.076) 6.368 10.628 ( 3.611 1.628 -2.357) 4.610 10.712 ( -5.830 1.902 2.435) 6.598 11.095 ( 13.949 -2.767 -4.324) 14.864 11.244 ( -1.529 -4.731 -12.108) 13.089 11.665 ( -3.204 -2.563 0.305) 4.114 11.696 ( -6.569 -4.462 8.394) 11.555 12.204 ( 3.463 14.045 -1.092) 14.507 12.298 ( -7.195 14.623 -2.745) 16.527 12.357 ( 4.367 11.735 3.233) 12.932 12.452 ( -6.770 12.547 1.607) 14.347 14.044 ( 8.872 0.924 -33.278) 34.453 14.173 ( -5.634 1.474 -28.015) 28.614 14.632 ( 5.721 1.689 -4.004) 7.184 14.723 ( -4.169 0.597 -2.494) 4.895 15.795 ( 11.971 2.760 12.209) 17.320 16.078 ( -19.743 2.574 14.057) 24.373 17.617 ( 4.249 -5.538 -8.305) 10.849 17.710 ( -5.593 -5.892 -6.856) 10.630 18.289 ( 3.701 -8.833 6.912) 11.811 18.332 ( -1.220 -8.360 7.077) 11.021 19.467 ( 16.993 -26.215 15.856) 35.034 19.699 ( -9.071 -21.932 8.423) 25.184 ======================= Grid point 90 (34/144) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.000 21.622 6.596) 22.606 1.711 ( 0.000 22.229 0.914) 22.248 2.314 ( 0.000 8.258 4.677) 9.490 3.120 ( 0.000 14.396 1.156) 14.442 3.241 ( 0.000 13.683 -0.257) 13.686 3.495 ( 0.000 42.979 8.423) 43.797 3.511 ( 0.000 5.658 -11.155) 12.507 4.079 ( 0.000 12.452 -1.481) 12.540 4.211 ( 0.000 12.912 3.249) 13.315 4.381 ( 0.000 6.181 -11.135) 12.736 4.691 ( 0.000 2.774 3.371) 4.366 4.719 ( 0.000 18.603 -0.046) 18.603 6.319 ( 0.000 7.957 6.779) 10.453 6.627 ( 0.000 4.319 6.087) 7.464 6.706 ( 0.000 17.591 4.468) 18.149 7.194 ( 0.000 2.091 2.697) 3.413 8.053 ( 0.000 19.953 3.155) 20.200 8.570 ( 0.000 -7.973 0.340) 7.980 8.710 ( 0.000 -8.033 2.574) 8.435 9.059 ( 0.000 14.149 1.957) 14.284 9.543 ( 0.000 8.680 -10.012) 13.251 9.873 ( 0.000 -14.709 -3.374) 15.091 9.986 ( 0.000 2.668 -10.809) 11.133 10.218 ( 0.000 5.790 -5.542) 8.015 10.274 ( 0.000 -0.223 -6.425) 6.429 10.479 ( 0.000 0.030 -5.832) 5.832 10.533 ( 0.000 7.067 5.927) 9.223 10.701 ( 0.000 7.541 6.201) 9.763 10.955 ( 0.000 3.680 11.264) 11.850 10.978 ( 0.000 -10.089 -14.283) 17.487 11.767 ( 0.000 -5.318 12.309) 13.409 11.770 ( 0.000 -2.430 -5.991) 6.465 12.411 ( 0.000 8.295 -6.129) 10.314 12.440 ( 0.000 6.827 5.043) 8.487 12.598 ( 0.000 10.823 2.182) 11.041 13.288 ( 0.000 18.890 -0.088) 18.890 13.736 ( 0.000 -0.582 -37.240) 37.245 14.395 ( 0.000 4.317 -26.410) 26.761 14.457 ( 0.000 -2.823 2.513) 3.780 14.731 ( 0.000 -3.790 7.448) 8.357 15.669 ( 0.000 4.103 3.488) 5.386 16.794 ( 0.000 0.309 -14.011) 14.014 17.424 ( 0.000 -12.959 9.615) 16.136 17.587 ( 0.000 -13.937 -6.925) 15.563 17.820 ( 0.000 -10.206 15.692) 18.719 18.169 ( 0.000 -6.951 2.645) 7.438 18.584 ( 0.000 -9.572 21.216) 23.275 19.471 ( 0.000 -18.821 2.411) 18.975 ======================= Grid point 91 (35/144) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 9.717 22.070 1.962) 24.194 1.795 ( 9.513 16.442 4.543) 19.532 2.291 ( -2.627 10.528 3.038) 11.268 2.871 ( -18.019 12.014 2.176) 21.766 3.404 ( 8.190 19.851 -0.885) 21.492 3.509 ( 5.167 17.206 0.344) 17.969 3.633 ( 9.384 25.214 -3.625) 27.146 4.048 ( -2.989 14.388 -1.774) 14.802 4.153 ( -5.331 9.260 3.778) 11.333 4.383 ( -2.556 14.799 -6.935) 16.542 4.584 ( -5.136 7.003 0.930) 8.734 4.745 ( -1.016 10.043 -0.240) 10.097 6.325 ( 0.789 7.981 6.765) 10.492 6.511 ( -6.593 9.609 5.860) 13.044 6.866 ( 11.102 11.114 4.888) 16.452 7.205 ( 0.506 2.804 3.037) 4.165 8.099 ( 5.335 17.763 1.877) 18.642 8.546 ( -2.709 -5.612 0.431) 6.246 8.715 ( 0.531 -7.595 2.472) 8.004 9.025 ( -7.211 10.317 0.198) 12.589 9.440 ( -1.293 3.169 -7.089) 7.872 9.920 ( -2.372 4.503 -11.188) 12.291 10.018 ( 4.584 -6.685 -4.553) 9.297 10.212 ( -2.172 2.072 -4.996) 5.828 10.250 ( -0.256 4.187 -6.162) 7.455 10.477 ( -3.691 4.684 1.464) 6.141 10.581 ( 7.064 1.740 -2.424) 7.668 10.749 ( 4.308 3.981 5.462) 8.015 10.931 ( 1.887 3.909 7.105) 8.326 11.066 ( 6.550 -5.238 -9.336) 12.550 11.686 ( -6.765 -5.408 3.012) 9.169 11.744 ( -4.835 -3.303 4.015) 7.100 12.388 ( -0.799 7.203 -3.309) 7.967 12.462 ( 0.507 4.733 -1.517) 4.996 12.607 ( 1.532 14.021 4.449) 14.790 13.086 ( -16.374 20.582 -3.765) 26.568 13.867 ( 10.014 -0.895 -28.719) 30.428 14.304 ( -6.478 0.460 -18.032) 19.166 14.546 ( 5.899 -0.174 -5.014) 7.745 14.724 ( -0.867 -3.462 6.304) 7.244 15.715 ( 5.160 4.046 4.204) 7.789 16.527 ( -22.564 1.070 0.177) 22.590 17.425 ( 1.700 -8.772 -6.119) 10.829 17.618 ( -1.187 -11.701 -4.741) 12.681 17.938 ( 10.073 -13.018 13.747) 21.445 18.179 ( 0.313 -7.089 2.338) 7.471 18.714 ( 13.908 -13.770 19.331) 27.509 19.423 ( -5.348 -19.281 3.443) 20.303 ======================= Grid point 92 (36/144) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 9.397 17.761 -0.509) 20.100 1.996 ( 6.185 9.962 4.527) 12.569 2.265 ( 4.754 15.919 1.538) 16.684 2.528 ( -19.171 12.344 3.066) 23.007 3.533 ( 6.635 16.802 -1.301) 18.111 3.597 ( 1.246 12.583 -2.828) 12.957 3.814 ( 9.971 26.518 -1.484) 28.370 3.973 ( -6.782 21.833 -1.840) 22.936 4.088 ( 1.965 8.554 5.363) 10.285 4.232 ( -11.220 18.367 1.052) 21.549 4.594 ( 4.400 5.977 -3.517) 8.213 4.686 ( -4.898 7.914 -2.184) 9.560 6.353 ( 2.410 8.436 6.631) 10.997 6.413 ( -4.327 9.350 6.308) 12.080 7.056 ( 9.205 8.318 4.616) 13.237 7.179 ( -4.054 5.330 3.943) 7.771 8.252 ( 11.188 11.538 -0.368) 16.076 8.450 ( -8.782 2.008 -0.266) 9.012 8.736 ( 2.326 -5.645 1.602) 6.312 8.833 ( -9.469 0.664 -0.660) 9.515 9.573 ( 12.520 3.935 -6.150) 14.493 9.797 ( -10.631 3.708 -9.719) 14.874 10.081 ( 2.818 0.717 -4.398) 5.272 10.142 ( -4.082 2.724 -4.656) 6.764 10.294 ( 4.129 3.690 -4.159) 6.925 10.385 ( -5.641 3.041 -1.115) 6.505 10.698 ( 5.264 5.310 1.070) 7.553 10.768 ( -2.277 4.276 4.266) 6.455 11.083 ( 11.629 1.812 1.879) 11.918 11.176 ( 3.241 -0.766 -8.582) 9.206 11.560 ( -4.749 -7.485 4.910) 10.133 11.610 ( -8.402 -4.146 4.288) 10.304 12.399 ( 1.864 5.052 -4.315) 6.900 12.442 ( -2.339 3.273 -4.603) 6.113 12.670 ( 5.614 18.644 4.942) 20.089 12.822 ( -11.638 21.371 0.476) 24.339 14.036 ( 8.539 -1.510 -22.872) 24.461 14.179 ( -7.412 -1.053 -19.407) 20.801 14.639 ( 4.252 -1.117 -1.627) 4.688 14.697 ( -2.229 -2.514 3.013) 4.513 15.863 ( 11.566 3.876 5.751) 13.486 16.138 ( -18.916 3.099 6.250) 20.162 17.481 ( 4.049 -8.189 -8.677) 12.600 17.560 ( -4.351 -9.368 -6.230) 12.063 18.085 ( 5.941 -10.927 8.784) 15.227 18.160 ( -2.531 -8.372 4.750) 9.953 19.014 ( 16.862 -19.137 12.350) 28.338 19.273 ( -11.406 -20.066 6.615) 24.010 ======================= Grid point 95 (37/144) ======================= q-point: ( 0.00 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.000 19.199 3.559) 19.526 2.118 ( 0.000 18.329 -6.707) 19.517 2.508 ( 0.000 10.732 6.181) 12.385 3.286 ( 0.000 3.848 0.588) 3.892 3.398 ( 0.000 3.340 -1.296) 3.582 3.567 ( 0.000 -0.302 -13.494) 13.498 4.013 ( 0.000 -6.079 3.932) 7.240 4.260 ( 0.000 26.741 2.648) 26.872 4.417 ( 0.000 2.997 -4.091) 5.071 4.737 ( 0.000 26.245 1.828) 26.308 4.886 ( 0.000 16.529 0.886) 16.552 5.167 ( 0.000 24.092 -3.156) 24.298 6.516 ( 0.000 12.147 5.743) 13.437 6.824 ( 0.000 15.126 6.343) 16.403 7.077 ( 0.000 19.292 5.795) 20.144 7.254 ( 0.000 3.827 0.330) 3.841 8.364 ( 0.000 -1.954 -1.243) 2.316 8.509 ( 0.000 14.834 3.651) 15.277 8.602 ( 0.000 -1.986 1.135) 2.287 9.237 ( 0.000 3.866 -0.963) 3.984 9.613 ( 0.000 -9.828 -2.823) 10.226 9.738 ( 0.000 10.448 -7.888) 13.092 9.911 ( 0.000 -7.354 -2.903) 7.906 10.183 ( 0.000 -5.776 -8.791) 10.519 10.307 ( 0.000 2.135 -9.526) 9.762 10.535 ( 0.000 4.280 -5.984) 7.357 10.644 ( 0.000 2.859 6.364) 6.977 10.705 ( 0.000 -12.057 -7.736) 14.325 10.958 ( 0.000 10.118 6.585) 12.072 11.130 ( 0.000 12.116 5.309) 13.228 11.670 ( 0.000 -3.579 8.973) 9.660 11.707 ( 0.000 -3.665 -8.195) 8.977 12.482 ( 0.000 1.002 -9.477) 9.530 12.557 ( 0.000 5.494 6.237) 8.312 12.869 ( 0.000 13.661 5.770) 14.829 13.668 ( 0.000 -5.747 -20.019) 20.828 13.680 ( 0.000 19.740 -0.029) 19.740 14.382 ( 0.000 -4.953 -11.733) 12.735 14.387 ( 0.000 -4.148 3.498) 5.426 14.712 ( 0.000 1.552 1.869) 2.429 15.750 ( 0.000 4.158 0.775) 4.230 16.776 ( 0.000 -2.623 -10.957) 11.266 17.166 ( 0.000 -12.750 6.381) 14.258 17.286 ( 0.000 -15.575 -6.090) 16.724 17.639 ( 0.000 -7.455 14.615) 16.406 18.055 ( 0.000 -4.517 -1.987) 4.934 18.426 ( 0.000 -6.890 14.095) 15.689 19.115 ( 0.000 -16.592 0.577) 16.602 ======================= Grid point 96 (38/144) ======================= q-point: ( 0.20 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 4.826 15.201 2.772) 16.188 2.174 ( 5.468 19.086 -4.790) 20.423 2.516 ( 0.762 11.460 3.449) 11.992 3.038 ( -16.506 5.870 0.519) 17.527 3.574 ( 3.896 1.297 -11.275) 12.000 3.612 ( 9.407 1.080 -1.233) 9.548 3.987 ( -1.778 -5.630 3.220) 6.725 4.277 ( -1.168 9.679 -0.194) 9.751 4.400 ( 1.383 20.275 0.610) 20.332 4.784 ( 4.577 24.347 -0.132) 24.774 4.829 ( -5.883 18.101 0.600) 19.043 5.126 ( -4.360 23.674 -2.970) 24.255 6.527 ( 1.373 12.551 5.927) 13.948 6.758 ( -5.650 15.649 6.741) 17.951 7.153 ( 6.604 16.632 5.190) 18.633 7.280 ( 2.365 4.826 0.883) 5.446 8.379 ( 1.605 -1.486 -0.845) 2.344 8.500 ( -1.075 10.755 3.669) 11.414 8.617 ( 1.901 0.358 0.417) 1.979 9.127 ( -13.130 1.521 -3.491) 13.671 9.502 ( 1.348 2.021 -2.036) 3.170 9.881 ( -3.319 -6.455 -3.605) 8.104 9.978 ( 13.113 3.756 -7.799) 15.713 10.195 ( 1.078 -3.915 -8.265) 9.208 10.292 ( -1.021 1.766 -8.373) 8.618 10.519 ( -7.773 -3.129 -0.670) 8.405 10.601 ( 6.580 1.451 -4.246) 7.964 10.814 ( 5.416 -3.025 -2.096) 6.548 11.003 ( 5.558 7.574 5.650) 10.963 11.167 ( 4.446 11.454 5.282) 13.374 11.581 ( -8.359 -3.810 3.062) 9.683 11.679 ( -4.497 -3.078 -0.887) 5.521 12.468 ( -1.151 1.550 -7.458) 7.704 12.532 ( -2.425 3.812 2.266) 5.054 12.912 ( 4.560 14.412 5.828) 16.201 13.440 ( -13.690 12.205 -5.737) 19.217 13.856 ( 8.757 2.267 -12.050) 15.067 14.263 ( -6.928 -4.006 -7.627) 11.055 14.496 ( 5.710 -4.522 -0.498) 7.301 14.697 ( -1.583 0.574 2.180) 2.755 15.796 ( 5.161 4.158 0.997) 6.702 16.528 ( -19.694 -1.245 -1.477) 19.789 17.234 ( 3.113 -10.600 -7.123) 13.145 17.336 ( 2.571 -16.098 -2.301) 16.464 17.720 ( 8.744 -8.028 13.699) 18.126 18.062 ( -0.234 -4.477 -1.802) 4.832 18.494 ( 7.823 -9.269 13.109) 17.860 19.064 ( -5.640 -16.544 1.441) 17.539 ======================= Grid point 97 (39/144) ======================= q-point: ( 0.40 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 6.246 11.480 1.320) 13.135 2.258 ( 1.452 14.833 -0.483) 14.912 2.560 ( 5.858 13.545 -1.315) 14.816 2.752 ( -14.379 10.603 -0.337) 17.869 3.639 ( 4.460 -0.855 -6.751) 8.137 3.707 ( -1.046 0.340 -2.400) 2.640 4.021 ( 6.722 -3.211 2.097) 7.740 4.173 ( -8.455 -1.088 0.758) 8.559 4.512 ( 8.957 28.304 1.318) 29.717 4.683 ( -9.354 23.509 0.467) 25.306 4.893 ( 6.818 22.260 -1.959) 23.363 5.021 ( -6.899 22.780 -2.630) 23.947 6.571 ( 3.604 13.589 6.424) 15.457 6.655 ( -5.441 14.882 6.845) 17.260 7.264 ( 4.843 12.331 4.062) 13.857 7.309 ( -0.018 7.865 2.380) 8.217 8.420 ( 2.807 -0.750 0.684) 2.985 8.469 ( -2.334 3.029 2.811) 4.746 8.688 ( 6.603 4.394 -1.583) 8.088 8.868 ( -13.175 3.947 -3.671) 14.235 9.621 ( 9.244 0.658 -2.756) 9.669 9.782 ( -7.649 -3.354 -4.014) 9.267 10.141 ( 5.508 5.295 -8.920) 11.745 10.200 ( -1.273 2.862 -8.630) 9.181 10.301 ( 2.556 -1.813 -5.087) 5.975 10.385 ( -6.503 -3.730 -2.236) 7.823 10.750 ( 8.072 -0.490 -3.212) 8.701 10.845 ( -1.961 0.848 -1.426) 2.568 11.158 ( 10.731 4.974 3.311) 12.283 11.293 ( 6.096 10.679 3.492) 12.783 11.407 ( -7.167 -6.540 3.847) 10.437 11.537 ( -10.662 -2.047 2.626) 11.170 12.458 ( 0.426 1.684 -5.056) 5.347 12.485 ( -2.364 1.925 -2.667) 4.051 13.026 ( 8.033 15.608 4.146) 18.037 13.205 ( -11.766 15.503 -0.055) 19.462 14.001 ( 7.559 -1.108 -12.181) 14.379 14.135 ( -7.266 -2.951 -10.407) 13.031 14.588 ( 4.418 -3.560 1.898) 5.983 14.655 ( -3.059 -1.598 2.598) 4.320 15.940 ( 10.894 3.678 1.550) 11.602 16.190 ( -16.691 1.890 1.667) 16.880 17.285 ( 2.813 -11.629 -6.516) 13.624 17.332 ( -2.077 -13.426 -3.741) 14.091 17.893 ( 8.852 -7.431 7.653) 13.862 18.018 ( -4.819 -5.428 1.916) 7.507 18.693 ( 12.929 -13.587 8.520) 20.600 18.914 ( -10.741 -15.940 4.077) 19.649 ======================= Grid point 100 (40/144) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 0.000 16.293 1.822) 16.395 2.447 ( 0.000 15.052 -8.244) 17.162 2.715 ( 0.000 9.389 3.610) 10.059 3.313 ( 0.000 -0.460 1.888) 1.944 3.409 ( 0.000 -1.495 -1.531) 2.139 3.512 ( 0.000 -4.618 -14.143) 14.878 3.887 ( 0.000 -6.617 2.298) 7.005 4.208 ( 0.000 -10.490 -2.837) 10.867 4.894 ( 0.000 24.547 -0.112) 24.547 5.186 ( 0.000 18.591 2.198) 18.720 5.270 ( 0.000 20.442 2.538) 20.599 5.608 ( 0.000 19.123 -2.647) 19.305 6.814 ( 0.000 17.535 0.843) 17.555 7.190 ( 0.000 20.480 6.249) 21.412 7.345 ( 0.000 5.461 -1.496) 5.662 7.456 ( 0.000 18.030 5.845) 18.954 8.269 ( 0.000 -3.504 0.174) 3.509 8.635 ( 0.000 4.831 -0.696) 4.881 8.845 ( 0.000 13.898 4.702) 14.672 9.220 ( 0.000 -5.397 -5.789) 7.914 9.481 ( 0.000 -3.389 -3.616) 4.956 9.776 ( 0.000 -5.198 -0.100) 5.199 9.934 ( 0.000 8.798 -4.981) 10.110 10.058 ( 0.000 -6.399 -6.207) 8.914 10.350 ( 0.000 2.216 -9.572) 9.825 10.414 ( 0.000 -15.153 -0.990) 15.185 10.673 ( 0.000 0.859 6.132) 6.192 10.678 ( 0.000 9.336 -8.243) 12.455 11.081 ( 0.000 0.949 6.119) 6.192 11.343 ( 0.000 7.840 -2.393) 8.197 11.633 ( 0.000 -3.589 -11.168) 11.731 11.652 ( 0.000 1.479 -0.588) 1.591 12.500 ( 0.000 1.747 -5.916) 6.168 12.679 ( 0.000 7.092 8.381) 10.979 13.094 ( 0.000 8.590 7.799) 11.603 13.517 ( 0.000 -9.263 -4.941) 10.498 14.048 ( 0.000 16.471 -0.301) 16.474 14.263 ( 0.000 -5.925 -5.798) 8.290 14.296 ( 0.000 -4.634 4.170) 6.234 14.744 ( 0.000 1.001 0.390) 1.074 15.841 ( 0.000 5.085 -1.517) 5.307 16.675 ( 0.000 -7.260 -4.323) 8.450 16.920 ( 0.000 -11.922 4.036) 12.587 16.983 ( 0.000 -14.795 -5.820) 15.898 17.549 ( 0.000 -1.228 10.547) 10.618 17.984 ( 0.000 -2.914 -3.795) 4.785 18.303 ( 0.000 -5.268 9.897) 11.212 18.815 ( 0.000 -13.562 -1.263) 13.621 ======================= Grid point 101 (41/144) ======================= q-point: ( 0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 0.659 14.325 -0.198) 14.341 2.516 ( 4.201 15.263 -5.306) 16.696 2.727 ( 1.695 9.481 1.457) 9.740 3.131 ( -11.111 3.904 0.038) 11.777 3.516 ( 1.131 -5.636 -11.095) 12.495 3.597 ( 10.822 -2.796 -1.497) 11.277 3.848 ( -3.240 -7.809 1.760) 8.636 4.169 ( -4.281 -9.893 -1.464) 10.878 4.931 ( 3.841 23.930 -0.174) 24.237 5.208 ( -0.016 18.836 0.988) 18.862 5.245 ( -0.110 20.583 2.376) 20.720 5.567 ( -4.396 19.215 -2.419) 19.860 6.829 ( 1.824 17.448 1.457) 17.603 7.111 ( -6.728 18.593 5.096) 20.419 7.402 ( 4.968 7.621 -0.260) 9.101 7.497 ( 3.284 17.091 5.022) 18.114 8.295 ( 2.953 -2.988 0.963) 4.310 8.603 ( -3.790 4.165 1.737) 5.893 8.838 ( -0.175 12.445 1.558) 12.543 9.119 ( -9.282 -2.414 -6.232) 11.437 9.506 ( 3.812 -0.980 -2.512) 4.669 9.764 ( -1.603 -4.703 -0.765) 5.027 10.062 ( 5.954 -1.253 -6.682) 9.037 10.110 ( 9.909 0.775 -5.751) 11.483 10.327 ( -2.785 -4.107 -2.743) 5.670 10.377 ( -2.701 -4.024 -6.282) 7.934 10.650 ( 0.606 2.819 -0.826) 2.999 10.788 ( 7.466 2.705 -3.621) 8.728 11.077 ( 0.134 -1.537 6.818) 6.990 11.360 ( 1.459 6.535 -2.976) 7.328 11.560 ( -5.748 0.284 -6.778) 8.892 11.646 ( -2.310 0.579 -2.193) 3.238 12.494 ( -0.497 2.108 -5.004) 5.452 12.632 ( -4.542 6.432 6.483) 10.199 13.141 ( 4.748 8.042 7.045) 11.698 13.482 ( -3.946 -5.778 -2.485) 7.425 14.031 ( -1.076 12.103 -2.368) 12.379 14.179 ( -5.025 -2.972 -2.483) 6.345 14.397 ( 6.560 -5.121 1.291) 8.422 14.710 ( -3.617 0.151 0.852) 3.719 15.883 ( 4.728 4.772 -1.103) 6.808 16.478 ( -15.224 -3.412 -0.533) 15.610 16.993 ( 1.153 -14.369 -5.044) 15.272 17.013 ( 4.359 -14.841 0.833) 15.490 17.630 ( 8.360 -1.161 8.513) 11.988 18.001 ( 0.450 -1.895 -4.182) 4.613 18.329 ( 3.688 -7.338 9.724) 12.727 18.767 ( -5.238 -13.352 -0.556) 14.354 ======================= Grid point 102 (42/144) ======================= q-point: ( 0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 4.728 12.103 -0.376) 13.000 2.524 ( -3.549 12.051 -1.812) 12.693 2.805 ( 7.030 11.212 -3.063) 13.584 2.953 ( -8.890 9.496 -2.192) 13.191 3.564 ( 4.433 -6.198 -6.782) 10.201 3.659 ( -4.477 -4.674 -3.094) 7.174 3.890 ( 8.873 -8.689 1.642) 12.527 4.055 ( -8.181 -8.887 0.609) 12.095 5.021 ( 5.832 22.544 -0.004) 23.286 5.130 ( -5.934 21.142 0.637) 21.969 5.329 ( 6.769 19.366 -0.067) 20.515 5.460 ( -7.130 19.357 -1.629) 20.693 6.885 ( 4.456 17.406 2.783) 18.182 6.986 ( -6.584 17.693 4.064) 19.311 7.492 ( 4.217 10.227 1.070) 11.114 7.533 ( 0.014 13.914 3.029) 14.240 8.377 ( 6.069 -0.954 2.815) 6.758 8.501 ( -6.986 2.037 3.922) 8.267 8.861 ( 3.161 8.886 -2.848) 9.852 8.958 ( -7.505 3.821 -5.091) 9.841 9.606 ( 6.375 -1.657 -2.614) 7.087 9.709 ( -4.555 -3.435 -2.115) 6.084 10.141 ( 4.845 -6.730 -4.352) 9.365 10.240 ( -5.495 -7.535 -2.565) 9.672 10.297 ( 6.257 5.549 -6.762) 10.755 10.351 ( -0.915 6.448 -7.994) 10.311 10.713 ( 6.768 -2.171 -0.010) 7.108 10.837 ( -4.034 -0.578 -3.197) 5.180 11.153 ( 9.208 -4.169 2.411) 10.391 11.328 ( -7.387 -1.632 -4.672) 8.892 11.501 ( 1.575 7.387 -1.059) 7.627 11.574 ( -4.986 4.600 -0.447) 6.798 12.497 ( 1.255 3.165 -2.221) 4.065 12.546 ( -4.158 4.805 2.126) 6.701 13.249 ( 6.941 6.009 5.029) 10.468 13.379 ( -6.997 1.264 1.904) 7.361 14.036 ( 1.888 4.803 -4.303) 6.719 14.094 ( -4.249 0.195 -3.560) 5.547 14.514 ( 6.371 -3.752 1.900) 7.635 14.624 ( -5.631 -1.771 1.685) 6.139 16.010 ( 9.246 3.512 -0.193) 9.892 16.214 ( -13.293 0.828 0.415) 13.325 17.019 ( 1.586 -14.798 -2.684) 15.123 17.041 ( -0.460 -15.127 -0.624) 15.147 17.806 ( 9.880 -1.340 3.969) 10.731 17.954 ( -5.833 -1.024 -0.805) 5.977 18.454 ( 9.545 -10.707 5.709) 15.438 18.633 ( -9.267 -12.546 1.671) 15.687 ======================= Grid point 105 (43/144) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 0.000 12.625 0.153) 12.626 2.726 ( 0.000 12.930 -6.181) 14.332 2.871 ( 0.000 6.419 -0.762) 6.464 3.280 ( 0.000 -2.898 1.044) 3.080 3.363 ( 0.000 -2.518 -0.975) 2.701 3.410 ( 0.000 -4.872 -7.596) 9.025 3.750 ( 0.000 -6.703 -3.529) 7.575 3.977 ( 0.000 -12.073 -2.351) 12.300 5.295 ( 0.000 15.809 -0.685) 15.824 5.471 ( 0.000 9.988 2.428) 10.279 5.654 ( 0.000 17.149 2.403) 17.317 5.904 ( 0.000 10.321 -1.103) 10.379 7.183 ( 0.000 18.360 -2.915) 18.590 7.464 ( 0.000 6.060 -3.434) 6.966 7.590 ( 0.000 18.243 1.042) 18.272 7.767 ( 0.000 12.314 3.950) 12.931 8.256 ( 0.000 2.757 3.420) 4.393 8.762 ( 0.000 6.774 -1.851) 7.022 9.007 ( 0.000 2.499 6.975) 7.409 9.033 ( 0.000 -12.721 -7.034) 14.536 9.481 ( 0.000 3.075 -1.395) 3.377 9.727 ( 0.000 0.365 -1.033) 1.095 9.924 ( 0.000 -7.216 -2.054) 7.502 10.082 ( 0.000 0.217 0.705) 0.737 10.129 ( 0.000 -6.656 0.561) 6.680 10.385 ( 0.000 0.641 -9.255) 9.277 10.702 ( 0.000 2.537 4.866) 5.488 10.902 ( 0.000 11.098 -10.187) 15.064 11.035 ( 0.000 -3.024 3.241) 4.433 11.435 ( 0.000 1.744 -7.731) 7.925 11.562 ( 0.000 -3.482 -15.980) 16.355 11.672 ( 0.000 -0.700 -12.730) 12.749 12.581 ( 0.000 6.654 1.474) 6.815 12.837 ( 0.000 8.083 9.743) 12.660 13.208 ( 0.000 2.966 11.333) 11.715 13.313 ( 0.000 -10.503 7.542) 12.930 14.160 ( 0.000 -4.327 -4.709) 6.395 14.170 ( 0.000 -4.158 1.140) 4.311 14.366 ( 0.000 11.847 1.897) 11.998 14.741 ( 0.000 -1.361 1.151) 1.782 15.960 ( 0.000 7.165 -2.835) 7.705 16.521 ( 0.000 -7.502 -0.835) 7.549 16.697 ( 0.000 -13.525 -2.580) 13.769 16.700 ( 0.000 -9.871 3.414) 10.445 17.583 ( 0.000 4.084 5.696) 7.008 17.921 ( 0.000 -3.991 -1.978) 4.455 18.234 ( 0.000 -1.147 4.483) 4.628 18.573 ( 0.000 -10.742 -2.515) 11.033 ======================= Grid point 106 (44/144) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -0.725 12.838 -1.421) 12.936 2.787 ( 1.705 12.147 -4.840) 13.187 2.887 ( 3.319 6.478 -1.145) 7.368 3.205 ( -3.926 3.488 0.495) 5.275 3.382 ( -0.692 -7.325 -7.272) 10.345 3.509 ( 9.288 -5.591 -0.806) 10.870 3.691 ( -5.886 -7.349 -3.386) 10.006 3.948 ( -3.318 -11.716 -1.426) 12.260 5.327 ( 3.331 15.849 -0.515) 16.204 5.507 ( 3.650 10.498 1.508) 11.216 5.619 ( -3.401 16.655 2.266) 17.149 5.864 ( -4.344 10.283 -0.952) 11.204 7.193 ( 1.295 18.023 -2.372) 18.224 7.439 ( -4.458 12.837 -3.035) 13.924 7.588 ( 2.818 10.664 1.526) 11.135 7.793 ( 1.061 11.305 1.410) 11.442 8.297 ( 4.676 3.980 4.436) 7.576 8.720 ( -4.980 7.014 1.823) 8.794 8.971 ( -2.075 -2.365 -2.632) 4.102 9.026 ( -1.481 -4.238 -1.872) 4.864 9.509 ( 3.071 2.074 -0.509) 3.741 9.711 ( -1.739 -0.243 -0.373) 1.795 9.934 ( 1.227 -8.084 -2.053) 8.430 10.089 ( -2.107 -12.659 4.425) 13.575 10.213 ( 11.071 5.850 -5.046) 13.500 10.427 ( 3.846 2.390 -8.645) 9.759 10.694 ( -0.860 2.263 3.495) 4.251 10.911 ( -0.934 4.560 -6.050) 7.634 11.021 ( 0.720 1.022 -0.523) 1.355 11.432 ( -1.878 1.802 -10.053) 10.384 11.535 ( -1.449 -3.055 -12.288) 12.744 11.661 ( -1.417 -0.997 -11.864) 11.990 12.584 ( 0.581 7.272 2.366) 7.669 12.789 ( -4.799 8.987 9.889) 14.199 13.217 ( 1.155 -1.278 7.667) 7.858 13.319 ( 0.035 -8.456 9.271) 12.548 14.095 ( -1.637 -1.016 -2.958) 3.530 14.283 ( 5.605 -1.985 -0.993) 6.028 14.324 ( -2.910 8.033 2.205) 8.824 14.694 ( -4.975 -1.862 1.168) 5.439 15.995 ( 3.753 6.686 -2.071) 7.943 16.413 ( -9.362 -2.506 0.829) 9.726 16.689 ( 0.976 -14.811 -2.012) 14.979 16.748 ( 1.535 -12.385 2.122) 12.659 17.660 ( 7.878 3.778 4.354) 9.762 17.968 ( 3.976 -2.249 -3.560) 5.791 18.215 ( -1.206 -3.218 5.618) 6.586 18.529 ( -4.810 -10.604 -1.969) 11.809 ======================= Grid point 107 (45/144) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 2.902 12.038 -1.785) 12.511 2.748 ( -4.210 10.761 -2.805) 11.891 3.003 ( 7.763 8.153 -3.178) 11.698 3.130 ( -5.583 8.115 -2.190) 10.090 3.411 ( 4.839 -8.582 -5.378) 11.224 3.537 ( -7.764 -6.703 -4.612) 11.246 3.702 ( 9.023 -9.796 0.755) 13.340 3.853 ( -7.103 -10.926 0.014) 13.032 5.408 ( 5.426 16.164 -0.050) 17.050 5.510 ( -5.118 16.409 0.362) 17.193 5.629 ( 6.280 10.507 1.171) 12.296 5.757 ( -7.080 10.241 -0.340) 12.455 7.239 ( 3.947 17.434 -1.560) 17.943 7.332 ( -6.119 16.530 -1.419) 17.683 7.679 ( 5.935 7.113 -0.330) 9.270 7.770 ( -3.568 8.264 -0.563) 9.019 8.422 ( 8.629 6.023 5.570) 11.906 8.587 ( -9.025 6.710 5.145) 12.367 8.960 ( 0.781 -0.604 -5.152) 5.245 8.989 ( -2.182 -0.447 -3.031) 3.761 9.583 ( 4.709 0.165 0.021) 4.712 9.662 ( -3.711 -0.728 0.132) 3.784 9.972 ( 2.943 -9.588 -0.807) 10.062 10.034 ( -3.602 -11.102 1.629) 11.785 10.428 ( 9.714 5.972 -7.099) 13.432 10.489 ( 1.881 6.020 -7.295) 9.644 10.690 ( 2.053 -0.122 1.945) 2.830 10.808 ( -8.725 -2.968 0.502) 9.230 11.131 ( 9.851 3.624 -7.180) 12.718 11.318 ( -9.634 1.405 -10.514) 14.329 11.559 ( 3.178 -1.581 -8.978) 9.654 11.619 ( -3.078 -1.243 -10.185) 10.712 12.613 ( 2.889 8.620 4.886) 10.321 12.690 ( -5.429 9.486 8.086) 13.595 13.252 ( 2.628 -5.570 5.976) 8.582 13.300 ( -2.164 -7.170 8.273) 11.160 14.114 ( 3.581 4.165 -2.034) 5.857 14.208 ( -6.274 8.651 -0.324) 10.691 14.434 ( 8.061 -4.494 1.069) 9.291 14.577 ( -7.562 -3.106 1.206) 8.263 16.092 ( 6.901 5.114 -0.449) 8.601 16.239 ( -9.240 2.173 0.846) 9.530 16.717 ( 1.869 -14.963 -0.504) 15.087 16.747 ( -1.223 -14.139 1.342) 14.256 17.829 ( 9.703 3.299 1.551) 10.366 17.973 ( -4.948 2.713 -2.409) 6.135 18.259 ( 6.837 -8.979 3.775) 11.900 18.407 ( -8.241 -10.189 -0.159) 13.106 ======================= Grid point 110 (46/144) ======================= q-point: ( 0.00 0.47 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 0.000 5.972 -2.190) 6.361 2.912 ( 0.000 3.443 -2.726) 4.392 3.012 ( 0.000 9.367 -4.456) 10.373 3.185 ( 0.000 -6.907 -2.528) 7.355 3.327 ( 0.000 -0.767 0.107) 0.775 3.341 ( 0.000 -2.088 0.709) 2.205 3.663 ( 0.000 -0.461 -6.584) 6.601 3.757 ( 0.000 -9.039 -3.551) 9.712 5.525 ( 0.000 7.251 0.396) 7.262 5.584 ( 0.000 1.342 1.772) 2.223 5.923 ( 0.000 9.351 1.273) 9.437 6.013 ( 0.000 0.478 0.187) 0.514 7.481 ( 0.000 9.871 -3.426) 10.449 7.553 ( 0.000 1.769 -3.791) 4.183 7.860 ( 0.000 8.216 -7.409) 11.063 7.918 ( 0.000 2.447 -2.368) 3.405 8.406 ( 0.000 12.447 6.134) 13.876 8.707 ( 0.000 -15.736 -3.699) 16.165 8.912 ( 0.000 4.603 3.272) 5.647 8.992 ( 0.000 -2.890 5.867) 6.540 9.581 ( 0.000 6.845 2.305) 7.223 9.752 ( 0.000 -9.700 2.236) 9.955 9.778 ( 0.000 4.256 -0.045) 4.256 9.893 ( 0.000 -7.670 3.807) 8.562 10.244 ( 0.000 6.695 -4.471) 8.050 10.353 ( 0.000 -3.875 -6.568) 7.626 10.783 ( 0.000 5.323 1.788) 5.615 10.896 ( 0.000 -5.679 0.957) 5.759 11.184 ( 0.000 11.743 -11.628) 16.527 11.382 ( 0.000 -7.368 -10.635) 12.937 11.544 ( 0.000 2.427 -19.614) 19.763 11.618 ( 0.000 -4.065 -18.938) 19.369 12.755 ( 0.000 10.066 5.284) 11.369 12.921 ( 0.000 -3.236 4.190) 5.294 13.167 ( 0.000 -1.017 19.388) 19.415 13.214 ( 0.000 -2.237 16.360) 16.512 14.097 ( 0.000 -1.789 -3.215) 3.679 14.099 ( 0.000 -2.112 -0.675) 2.218 14.567 ( 0.000 8.016 1.379) 8.134 14.687 ( 0.000 -4.210 1.414) 4.441 16.132 ( 0.000 10.122 -3.663) 10.765 16.351 ( 0.000 -10.857 -4.326) 11.688 16.511 ( 0.000 -3.129 3.871) 4.977 16.543 ( 0.000 -5.362 3.829) 6.589 17.690 ( 0.000 6.267 3.088) 6.987 17.818 ( 0.000 -6.143 1.197) 6.259 18.266 ( 0.000 4.135 -0.638) 4.184 18.387 ( 0.000 -7.852 -2.596) 8.271 ======================= Grid point 111 (47/144) ======================= q-point: ( 0.20 0.47 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 0.535 8.420 -2.515) 8.804 2.963 ( 3.967 0.160 -3.102) 5.038 3.009 ( -0.387 10.426 -3.835) 11.116 3.197 ( 1.254 -7.491 -2.944) 8.146 3.304 ( -1.627 2.604 0.161) 3.075 3.392 ( 5.154 -5.642 0.070) 7.642 3.609 ( -5.603 0.811 -5.932) 8.200 3.727 ( -3.381 -9.710 -2.896) 10.682 5.560 ( 3.812 7.544 0.410) 8.462 5.624 ( 4.265 1.274 1.396) 4.665 5.882 ( -4.324 9.210 1.118) 10.235 5.971 ( -4.437 0.435 0.188) 4.463 7.494 ( 1.697 10.903 -3.372) 11.538 7.590 ( 3.535 1.662 -4.562) 6.006 7.787 ( -5.915 8.705 -4.203) 11.333 7.898 ( -3.147 -0.994 -4.589) 5.653 8.472 ( 6.574 12.791 5.762) 15.492 8.751 ( 4.349 -13.726 -3.058) 14.719 8.867 ( -4.637 6.449 4.100) 8.939 8.978 ( -1.749 -3.990 4.009) 5.921 9.592 ( 1.373 6.239 2.222) 6.763 9.748 ( -1.183 -2.695 0.655) 3.015 9.759 ( -0.714 -2.515 1.634) 3.083 9.877 ( -1.819 -8.217 3.163) 8.990 10.332 ( 9.039 5.701 -3.977) 11.402 10.423 ( 6.891 -2.840 -5.479) 9.250 10.761 ( -2.346 4.390 1.099) 5.097 10.856 ( -4.486 -4.901 0.388) 6.656 11.204 ( 2.362 11.417 -12.072) 16.783 11.402 ( 2.079 -7.470 -11.203) 13.624 11.505 ( -4.300 3.174 -18.188) 18.957 11.595 ( -2.499 -4.852 -17.809) 18.627 12.770 ( 1.773 10.586 6.122) 12.357 12.927 ( 0.370 0.148 6.056) 6.069 13.109 ( -4.516 -2.150 15.140) 15.945 13.199 ( -2.475 -5.893 15.709) 16.960 14.109 ( 3.636 2.533 -1.803) 4.784 14.186 ( 6.907 -4.838 -0.767) 8.468 14.510 ( -5.949 7.861 1.061) 9.915 14.632 ( -5.795 -4.479 1.193) 7.420 16.158 ( 2.760 9.765 -2.587) 10.472 16.362 ( 0.599 -7.409 -2.553) 7.860 16.456 ( -4.006 -3.164 2.855) 5.849 16.538 ( -1.483 -8.148 3.519) 8.998 17.762 ( 7.367 6.048 2.349) 9.817 17.885 ( 6.943 -5.790 0.466) 9.052 18.224 ( -4.457 3.816 -0.263) 5.873 18.344 ( -4.664 -7.835 -2.259) 9.394 ======================= Grid point 112 (48/144) ======================= q-point: ( 0.40 0.47 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 2.690 10.570 -2.855) 11.274 2.962 ( -2.861 10.660 -3.416) 11.554 3.069 ( 5.765 -3.208 -2.951) 7.228 3.170 ( -4.697 -8.141 -3.235) 9.940 3.342 ( 6.251 6.123 -1.800) 8.933 3.479 ( -7.703 3.261 -4.316) 9.413 3.510 ( 6.906 -9.233 -0.515) 11.542 3.637 ( -6.397 -10.359 -1.545) 12.273 5.655 ( 6.325 8.325 0.450) 10.465 5.726 ( 6.132 1.994 0.493) 6.467 5.782 ( -5.810 7.775 0.995) 9.757 5.863 ( -7.088 0.430 0.350) 7.110 7.547 ( 4.052 12.547 -3.724) 13.701 7.624 ( -2.771 11.335 -5.523) 12.910 7.727 ( 2.322 -1.958 -2.606) 4.002 7.814 ( -5.490 -3.868 -4.565) 8.121 8.613 ( 8.356 11.989 5.227) 15.520 8.757 ( -7.293 9.529 4.814) 12.929 8.842 ( 5.200 -9.746 -1.376) 11.132 8.926 ( -3.897 -6.387 1.129) 7.567 9.634 ( 3.137 5.072 2.005) 6.291 9.697 ( -3.537 4.293 1.419) 5.741 9.780 ( 2.257 -9.065 1.518) 9.465 9.831 ( -3.039 -8.786 2.022) 9.514 10.526 ( 10.924 3.779 -3.258) 12.010 10.561 ( 7.100 0.871 -3.934) 8.163 10.699 ( -4.309 0.941 -0.235) 4.417 10.737 ( -8.222 -3.172 -0.505) 8.827 11.276 ( 5.667 9.456 -13.053) 17.086 11.396 ( -6.816 6.089 -14.643) 17.262 11.458 ( 3.665 -7.814 -13.547) 16.063 11.533 ( -4.167 -6.582 -15.450) 17.303 12.822 ( 4.000 11.632 8.547) 14.978 12.901 ( -3.851 10.617 10.555) 15.458 13.070 ( 1.318 -10.626 9.061) 14.026 13.131 ( -4.360 -9.831 11.577) 15.801 14.217 ( 7.818 5.819 -0.590) 9.764 14.332 ( 8.671 -5.257 0.115) 10.141 14.373 ( -8.488 7.024 0.490) 11.028 14.496 ( -8.766 -5.116 0.791) 10.180 16.227 ( 4.680 8.596 -0.264) 9.791 16.318 ( -5.035 5.921 1.446) 7.905 16.442 ( 2.258 -12.175 0.148) 12.383 16.494 ( -3.033 -10.895 2.111) 11.505 17.924 ( 9.639 5.947 0.718) 11.349 18.028 ( 5.527 -0.757 -1.875) 5.885 18.123 ( -4.072 -1.242 1.516) 4.519 18.226 ( -8.125 -7.962 -1.146) 11.434 ======================= Grid point 150 (49/144) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.000 0.000 23.920) 23.920 1.232 ( 0.000 0.000 29.426) 29.426 1.745 ( 0.000 0.000 5.162) 5.162 1.936 ( 0.000 0.000 38.223) 38.223 2.124 ( 0.000 0.000 6.404) 6.404 2.438 ( 0.000 0.000 1.612) 1.612 2.723 ( 0.000 0.000 -1.450) 1.450 3.118 ( 0.000 0.000 -6.380) 6.380 3.968 ( 0.000 0.000 -14.022) 14.022 4.162 ( 0.000 0.000 -13.346) 13.346 4.745 ( 0.000 0.000 15.529) 15.529 4.790 ( 0.000 0.000 4.212) 4.212 6.114 ( 0.000 0.000 2.152) 2.152 6.148 ( 0.000 0.000 2.450) 2.450 6.825 ( 0.000 0.000 -4.475) 4.475 7.512 ( 0.000 0.000 15.005) 15.005 7.703 ( 0.000 0.000 2.118) 2.118 7.982 ( 0.000 0.000 17.690) 17.690 7.988 ( 0.000 0.000 -0.766) 0.766 8.743 ( 0.000 0.000 3.118) 3.118 8.769 ( 0.000 0.000 2.928) 2.928 9.051 ( 0.000 0.000 -14.512) 14.512 10.019 ( 0.000 0.000 4.256) 4.256 10.309 ( 0.000 0.000 -1.160) 1.160 10.362 ( 0.000 0.000 -12.015) 12.015 10.391 ( 0.000 0.000 -10.597) 10.597 10.424 ( 0.000 0.000 2.779) 2.779 10.591 ( 0.000 0.000 -0.759) 0.759 11.225 ( 0.000 0.000 -16.948) 16.948 11.385 ( 0.000 0.000 2.292) 2.292 11.581 ( 0.000 0.000 -7.535) 7.535 11.712 ( 0.000 0.000 -2.009) 2.009 11.776 ( 0.000 0.000 7.070) 7.070 11.959 ( 0.000 0.000 3.772) 3.772 12.296 ( 0.000 0.000 3.002) 3.002 12.414 ( 0.000 0.000 5.670) 5.670 12.724 ( 0.000 0.000 -1.695) 1.695 13.536 ( 0.000 0.000 -33.427) 33.427 14.521 ( 0.000 0.000 0.036) 0.036 14.567 ( 0.000 0.000 -1.302) 1.302 15.779 ( 0.000 0.000 11.306) 11.306 16.484 ( 0.000 0.000 -12.912) 12.912 17.775 ( 0.000 0.000 -6.935) 6.935 17.789 ( 0.000 0.000 -12.257) 12.257 18.538 ( 0.000 0.000 14.357) 14.357 18.687 ( 0.000 0.000 10.633) 10.633 20.354 ( 0.000 0.000 5.680) 5.680 20.781 ( 0.000 0.000 -3.302) 3.302 ======================= Grid point 151 (50/144) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 7.971 0.000 21.189) 22.639 1.231 ( 3.397 0.000 28.203) 28.407 1.674 ( -7.422 0.000 6.674) 9.982 1.966 ( -8.748 0.000 3.575) 9.450 2.248 ( 21.907 0.000 34.919) 41.222 2.478 ( 3.974 0.000 0.993) 4.096 2.703 ( -2.219 0.000 -1.307) 2.576 3.136 ( 1.010 0.000 -9.629) 9.682 3.973 ( -0.661 0.000 -5.299) 5.340 4.117 ( -4.921 0.000 -12.068) 13.033 4.626 ( -6.880 0.000 10.689) 12.711 4.801 ( -2.381 0.000 2.714) 3.610 6.117 ( 0.350 0.000 2.171) 2.199 6.144 ( -0.335 0.000 2.411) 2.434 6.866 ( 6.086 0.000 -1.145) 6.192 7.466 ( -6.832 0.000 9.066) 11.352 7.727 ( 2.626 0.000 1.930) 3.259 7.957 ( -3.260 0.000 -0.371) 3.281 8.205 ( 20.529 0.000 7.754) 21.945 8.748 ( 0.505 0.000 3.018) 3.060 8.768 ( -0.071 0.000 2.895) 2.896 8.976 ( -7.126 0.000 -7.415) 10.284 9.913 ( -2.536 0.000 3.809) 4.576 10.338 ( -8.089 0.000 3.428) 8.785 10.365 ( 0.323 0.000 -11.902) 11.906 10.389 ( -0.255 0.000 -10.789) 10.792 10.605 ( 12.888 0.000 0.284) 12.891 10.704 ( 16.872 0.000 -6.183) 17.969 11.270 ( 4.549 0.000 -15.341) 16.001 11.407 ( 2.399 0.000 2.253) 3.291 11.563 ( -2.033 0.000 -7.705) 7.968 11.647 ( -4.976 0.000 0.917) 5.060 11.828 ( 3.549 0.000 4.253) 5.539 11.951 ( -0.882 0.000 3.737) 3.839 12.049 ( -15.241 0.000 5.601) 16.238 12.353 ( -7.077 0.000 3.891) 8.076 12.985 ( 18.417 0.000 -12.979) 22.531 13.512 ( -2.729 0.000 -32.837) 32.950 14.511 ( 0.525 0.000 0.421) 0.673 14.604 ( 1.863 0.000 -0.539) 1.939 15.837 ( 6.408 0.000 10.199) 12.045 16.419 ( -7.328 0.000 -8.274) 11.052 17.661 ( -7.174 0.000 -5.369) 8.961 17.768 ( -4.410 0.000 -10.733) 11.604 18.578 ( 3.814 0.000 12.470) 13.040 18.708 ( 1.332 0.000 10.656) 10.739 20.351 ( 0.423 0.000 5.867) 5.882 20.687 ( -8.685 0.000 2.065) 8.927 ======================= Grid point 152 (51/144) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 11.721 0.000 15.632) 19.538 1.406 ( 15.077 0.000 18.196) 23.631 1.500 ( -11.305 0.000 10.427) 15.379 1.713 ( -17.155 0.000 8.298) 19.056 2.563 ( 4.949 0.000 -0.059) 4.949 2.646 ( -4.037 0.000 -0.856) 4.127 2.715 ( 25.782 0.000 20.204) 32.755 3.070 ( -11.246 0.000 -2.147) 11.449 3.940 ( -0.585 0.000 4.083) 4.125 4.004 ( -6.509 0.000 -5.927) 8.804 4.598 ( 3.875 0.000 0.428) 3.898 4.710 ( -6.876 0.000 -1.092) 6.962 6.126 ( 0.560 0.000 2.229) 2.298 6.136 ( -0.551 0.000 2.319) 2.384 7.043 ( 12.478 0.000 0.595) 12.492 7.279 ( -12.732 0.000 3.391) 13.176 7.793 ( 4.499 0.000 1.368) 4.703 7.880 ( -4.878 0.000 0.507) 4.904 8.564 ( 17.258 0.000 0.016) 17.258 8.758 ( 0.535 0.000 2.873) 2.922 8.765 ( -0.279 0.000 2.843) 2.856 8.815 ( -10.961 0.000 -1.389) 11.048 9.969 ( 7.849 0.000 3.901) 8.764 10.154 ( -11.354 0.000 4.043) 12.053 10.373 ( 0.518 0.000 -11.610) 11.622 10.382 ( -0.476 0.000 -11.205) 11.215 10.787 ( 9.939 0.000 0.867) 9.977 10.909 ( 0.021 0.000 -2.498) 2.498 11.374 ( 6.693 0.000 -11.988) 13.730 11.468 ( 4.220 0.000 2.098) 4.713 11.494 ( -5.921 0.000 -7.847) 9.830 11.554 ( -5.121 0.000 1.746) 5.410 11.885 ( 2.764 0.000 3.703) 4.620 11.927 ( -1.807 0.000 3.669) 4.090 11.961 ( 6.806 0.000 -0.633) 6.835 12.170 ( -12.643 0.000 0.189) 12.645 13.264 ( 12.164 0.000 -24.221) 27.104 13.430 ( -6.589 0.000 -30.200) 30.910 14.548 ( 3.214 0.000 0.817) 3.316 14.602 ( -2.043 0.000 0.452) 2.092 16.004 ( 11.618 0.000 7.294) 13.718 16.231 ( -12.585 0.000 1.230) 12.645 17.598 ( 0.734 0.000 -6.716) 6.756 17.666 ( -5.814 0.000 -9.435) 11.082 18.653 ( 3.971 0.000 11.133) 11.820 18.707 ( -1.679 0.000 10.899) 11.028 20.398 ( 4.996 0.000 6.352) 8.081 20.524 ( -8.552 0.000 6.172) 10.547 ======================= Grid point 155 (52/144) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.000 6.798 25.961) 26.836 1.308 ( 0.000 19.504 23.219) 30.324 2.079 ( 0.000 29.406 4.341) 29.724 2.091 ( 0.000 10.047 10.862) 14.797 2.196 ( 0.000 14.986 24.357) 28.598 2.612 ( 0.000 15.893 2.023) 16.021 2.937 ( 0.000 19.256 -2.015) 19.361 3.141 ( 0.000 3.092 -6.876) 7.540 3.942 ( 0.000 -0.805 -13.910) 13.933 4.151 ( 0.000 -0.915 -12.354) 12.388 4.704 ( 0.000 -3.528 13.555) 14.006 4.781 ( 0.000 -0.965 3.445) 3.578 6.196 ( 0.000 4.412 4.018) 5.967 6.215 ( 0.000 9.676 3.492) 10.287 6.751 ( 0.000 -2.179 2.638) 3.422 7.420 ( 0.000 -6.640 11.306) 13.112 7.856 ( 0.000 -1.083 15.960) 15.996 8.239 ( 0.000 21.851 1.352) 21.893 8.437 ( 0.000 41.792 -15.877) 44.706 8.813 ( 0.000 6.150 1.498) 6.330 8.876 ( 0.000 7.987 2.736) 8.443 9.078 ( 0.000 2.587 -12.957) 13.213 9.943 ( 0.000 -4.105 0.481) 4.133 10.140 ( 0.000 -4.657 -11.496) 12.403 10.408 ( 0.000 -0.274 -2.603) 2.617 10.437 ( 0.000 2.151 -7.040) 7.361 10.602 ( 0.000 1.318 -0.046) 1.319 10.675 ( 0.000 1.986 -1.572) 2.533 11.045 ( 0.000 -12.683 -17.061) 21.259 11.114 ( 0.000 -5.160 -0.909) 5.239 11.695 ( 0.000 4.479 -1.894) 4.863 11.845 ( 0.000 9.805 -0.270) 9.808 11.891 ( 0.000 12.707 -3.566) 13.198 11.988 ( 0.000 2.888 4.115) 5.027 12.412 ( 0.000 0.183 4.845) 4.848 12.495 ( 0.000 13.895 -6.232) 15.228 12.773 ( 0.000 5.255 -1.483) 5.460 13.586 ( 0.000 4.917 -32.669) 33.037 14.528 ( 0.000 0.562 0.785) 0.965 14.657 ( 0.000 7.736 -1.405) 7.863 15.761 ( 0.000 -1.578 10.593) 10.709 16.489 ( 0.000 0.548 -12.875) 12.887 17.742 ( 0.000 -3.365 -7.061) 7.822 17.748 ( 0.000 -4.152 -12.267) 12.951 18.481 ( 0.000 -5.538 14.664) 15.675 18.642 ( 0.000 -4.439 10.371) 11.281 20.236 ( 0.000 -11.517 5.373) 12.709 20.319 ( 0.000 -38.427 14.771) 41.168 ======================= Grid point 156 (53/144) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 3.841 8.478 23.899) 25.647 1.448 ( 9.330 21.777 18.934) 30.328 1.971 ( -10.124 17.345 2.868) 20.287 2.046 ( -7.633 15.563 5.408) 18.158 2.373 ( 18.833 15.466 29.872) 38.552 2.659 ( 4.799 16.705 1.570) 17.451 2.918 ( -1.993 19.470 -1.700) 19.646 3.161 ( 1.358 3.257 -9.718) 10.339 3.958 ( 0.527 -0.321 -5.959) 5.991 4.106 ( -4.794 -0.789 -11.051) 12.072 4.595 ( -6.982 -2.674 9.443) 12.044 4.780 ( -2.714 -1.948 1.953) 3.870 6.196 ( -0.000 4.971 3.955) 6.353 6.208 ( -0.552 8.344 3.574) 9.094 6.833 ( 8.518 -0.800 2.765) 8.991 7.385 ( -4.733 -5.058 10.180) 12.314 7.882 ( 3.358 0.845 9.412) 10.029 8.218 ( -3.132 26.153 -0.898) 26.355 8.510 ( 6.504 29.551 -10.195) 31.930 8.697 ( -7.774 -2.545 0.602) 8.202 8.893 ( 2.291 9.420 1.595) 9.825 9.122 ( 1.360 10.003 -6.921) 12.239 9.899 ( -1.144 -0.167 0.611) 1.308 10.164 ( -0.853 -7.205 -9.994) 12.350 10.406 ( 0.299 0.787 -6.118) 6.176 10.470 ( 1.312 1.209 -1.522) 2.345 10.606 ( 1.065 -3.929 2.392) 4.721 10.753 ( 7.073 0.882 -6.801) 9.852 11.077 ( -2.427 -10.311 -0.720) 10.617 11.089 ( 3.683 -12.460 -13.861) 18.998 11.677 ( -1.441 3.479 -2.085) 4.304 11.868 ( 2.274 9.536 -0.214) 9.806 11.921 ( 1.435 13.488 -2.627) 13.817 11.987 ( 1.199 5.082 3.196) 6.122 12.226 ( -14.319 10.061 1.845) 17.597 12.397 ( -5.192 5.875 3.403) 8.548 13.035 ( 17.585 4.897 -15.508) 23.952 13.559 ( -3.025 4.681 -32.558) 33.031 14.533 ( 1.217 1.617 1.071) 2.289 14.669 ( 0.381 5.984 -0.430) 6.012 15.822 ( 6.653 -1.355 9.652) 11.800 16.421 ( -7.632 0.281 -8.155) 11.173 17.622 ( -7.095 -3.927 -5.598) 9.854 17.735 ( -4.270 -3.349 -10.784) 12.072 18.524 ( 3.963 -5.273 12.455) 14.094 18.658 ( 0.966 -4.875 10.471) 11.591 20.201 ( -1.193 -17.102 7.873) 18.864 20.340 ( -0.023 -27.085 10.829) 29.170 ======================= Grid point 157 (54/144) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 14.653 7.673 14.602) 22.064 1.636 ( 11.196 25.044 13.804) 30.710 1.735 ( -15.441 9.216 6.420) 19.094 1.853 ( -12.127 23.295 9.853) 28.050 2.722 ( 11.254 12.618 7.623) 18.547 2.772 ( 7.349 14.703 6.612) 17.717 2.896 ( 4.725 17.951 2.851) 18.781 3.118 ( -8.672 5.794 -3.626) 11.042 3.941 ( -0.471 0.626 3.712) 3.794 3.999 ( -6.027 -0.237 -5.468) 8.141 4.564 ( 3.992 -2.882 -0.305) 4.933 4.682 ( -7.297 -2.520 -1.511) 7.866 6.196 ( 0.098 5.898 3.832) 7.035 6.200 ( -0.296 6.636 3.728) 7.617 7.028 ( 12.175 -0.370 3.527) 12.681 7.241 ( -10.683 -2.145 6.430) 12.652 7.978 ( 6.921 8.564 2.282) 11.245 8.115 ( -7.615 20.228 -1.382) 21.658 8.599 ( 2.341 9.941 -1.158) 10.278 8.619 ( -1.293 -0.761 2.046) 2.537 8.974 ( 6.423 13.823 -2.523) 15.449 9.087 ( -4.899 14.314 -4.146) 15.687 9.949 ( 6.314 -0.645 0.697) 6.385 10.085 ( -7.214 -4.295 -3.285) 9.016 10.420 ( 1.251 2.345 -6.574) 7.091 10.452 ( -2.086 4.209 -3.970) 6.150 10.680 ( 6.322 -11.659 2.585) 13.512 10.789 ( -4.055 -9.253 -0.742) 10.130 11.085 ( 3.956 -12.069 -6.083) 14.082 11.140 ( -0.165 -9.086 -11.378) 14.562 11.688 ( 3.971 2.682 -0.081) 4.792 11.813 ( -8.174 5.442 2.432) 10.116 11.958 ( 3.908 7.289 -0.443) 8.282 12.027 ( -3.051 10.051 1.245) 10.578 12.115 ( 6.364 13.989 -1.175) 15.414 12.271 ( -8.580 10.345 1.505) 13.524 13.303 ( 11.927 3.898 -25.924) 28.801 13.471 ( -6.920 4.092 -30.902) 31.931 14.580 ( 3.736 2.756 1.307) 4.823 14.646 ( -2.920 3.996 0.845) 5.020 15.993 ( 11.884 -0.971 7.134) 13.895 16.226 ( -12.991 -0.413 1.362) 13.069 17.562 ( 0.956 -3.504 -7.051) 7.932 17.633 ( -5.858 -3.245 -9.642) 11.740 18.599 ( 3.920 -5.208 10.907) 12.707 18.653 ( -1.760 -5.256 10.695) 12.046 20.224 ( 3.503 -17.148 7.924) 19.212 20.300 ( -3.958 -19.657 8.748) 21.877 ======================= Grid point 160 (55/144) ======================= q-point: ( 0.00 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.000 13.676 18.336) 22.874 1.609 ( 0.000 11.550 22.528) 25.316 2.221 ( 0.000 7.330 2.186) 7.649 2.721 ( 0.000 30.457 3.767) 30.689 2.804 ( 0.000 35.524 14.767) 38.471 3.000 ( 0.000 22.981 4.364) 23.392 3.162 ( 0.000 4.637 -10.608) 11.577 3.496 ( 0.000 29.784 -1.556) 29.824 3.984 ( 0.000 5.609 -14.127) 15.200 4.141 ( 0.000 0.383 -8.918) 8.927 4.640 ( 0.000 -1.562 8.305) 8.450 4.751 ( 0.000 -1.897 1.815) 2.625 6.314 ( 0.000 7.480 7.905) 10.884 6.476 ( 0.000 15.918 6.108) 17.050 6.750 ( 0.000 1.163 8.157) 8.240 7.307 ( 0.000 -4.183 7.185) 8.314 7.897 ( 0.000 7.060 11.608) 13.586 8.722 ( 0.000 23.388 2.514) 23.523 8.729 ( 0.000 -3.562 3.466) 4.970 8.944 ( 0.000 -3.333 4.859) 5.892 9.149 ( 0.000 5.234 -13.978) 14.926 9.285 ( 0.000 30.047 -18.949) 35.523 9.967 ( 0.000 6.055 -5.001) 7.853 10.095 ( 0.000 -1.299 -13.042) 13.106 10.229 ( 0.000 -19.678 -6.947) 20.868 10.421 ( 0.000 -3.244 -4.943) 5.912 10.544 ( 0.000 0.677 5.682) 5.723 10.661 ( 0.000 5.187 2.191) 5.631 10.832 ( 0.000 -8.050 -16.854) 18.678 11.187 ( 0.000 2.183 9.820) 10.060 11.711 ( 0.000 -2.034 -3.819) 4.327 12.020 ( 0.000 0.529 5.018) 5.046 12.137 ( 0.000 9.569 -4.226) 10.460 12.246 ( 0.000 24.064 -5.856) 24.766 12.453 ( 0.000 5.284 3.116) 6.135 12.732 ( 0.000 10.832 -24.370) 26.669 12.953 ( 0.000 13.072 -1.083) 13.116 13.724 ( 0.000 8.654 -29.446) 30.691 14.535 ( 0.000 0.005 2.444) 2.444 14.802 ( 0.000 5.161 -0.178) 5.165 15.730 ( 0.000 -1.229 7.715) 7.812 16.506 ( 0.000 1.217 -12.652) 12.710 17.622 ( 0.000 -8.550 -12.046) 14.772 17.638 ( 0.000 -7.166 -6.710) 9.817 18.330 ( 0.000 -9.244 15.365) 17.931 18.514 ( 0.000 -8.349 10.272) 13.237 19.552 ( 0.000 -34.421 26.562) 43.478 19.924 ( 0.000 -18.843 4.378) 19.345 ======================= Grid point 161 (56/144) ======================= q-point: ( 0.20 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 3.792 14.533 15.911) 21.880 1.788 ( 14.242 11.356 18.733) 26.129 2.139 ( -8.631 8.971 2.377) 12.674 2.588 ( -11.549 24.625 5.080) 27.669 2.907 ( 9.562 34.031 14.291) 38.128 3.079 ( 6.919 24.498 2.121) 25.545 3.207 ( 4.150 8.061 -9.624) 13.222 3.474 ( -2.332 28.252 -2.558) 28.463 4.006 ( 1.418 6.183 -8.497) 10.604 4.103 ( -3.973 1.019 -7.241) 8.322 4.547 ( -6.859 -1.252 5.483) 8.870 4.733 ( -3.448 -2.399 0.598) 4.242 6.321 ( 0.777 7.666 7.890) 11.028 6.427 ( -3.655 12.567 6.836) 14.766 6.861 ( 10.095 3.644 7.297) 12.978 7.304 ( -1.269 -2.731 7.423) 8.011 7.932 ( 4.648 6.461 8.218) 11.440 8.643 ( -10.823 -1.498 1.310) 11.005 8.733 ( 0.567 21.564 2.621) 21.730 8.912 ( -3.429 0.172 4.391) 5.574 9.097 ( 2.549 10.947 -14.336) 18.217 9.355 ( 2.079 17.316 -13.944) 22.330 9.965 ( 0.232 6.283 -4.459) 7.708 10.082 ( -1.452 -1.691 -11.378) 11.594 10.252 ( 2.340 -16.507 -4.424) 17.249 10.459 ( -0.250 -3.676 -2.540) 4.475 10.497 ( -0.071 1.601 -0.312) 1.633 10.738 ( 6.900 2.183 -1.196) 7.336 10.915 ( 7.369 -5.312 -11.559) 14.702 11.091 ( -8.904 3.900 7.101) 12.038 11.677 ( -2.806 -2.613 -3.470) 5.171 11.976 ( -5.018 0.039 5.106) 7.159 12.120 ( -0.605 10.641 -3.708) 11.285 12.309 ( 3.581 14.280 -2.419) 14.920 12.385 ( -6.029 13.766 -2.732) 15.275 12.584 ( -6.348 11.442 -1.801) 13.208 13.176 ( 15.119 9.357 -19.197) 26.166 13.691 ( -3.717 8.187 -29.841) 31.166 14.560 ( 2.890 0.948 2.446) 3.903 14.787 ( -1.854 4.398 0.679) 4.821 15.793 ( 6.933 -1.203 7.398) 10.210 16.431 ( -8.511 0.684 -7.744) 11.527 17.504 ( -6.411 -7.876 -6.089) 11.841 17.636 ( -3.648 -6.585 -10.711) 13.092 18.380 ( 4.392 -8.866 12.481) 15.927 18.520 ( 0.244 -8.778 10.349) 13.572 19.621 ( 6.743 -31.481 20.841) 38.352 19.917 ( -1.140 -20.278 5.594) 21.067 ======================= Grid point 162 (57/144) ======================= q-point: ( 0.40 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 12.923 13.446 9.217) 20.803 1.908 ( -12.706 9.689 5.473) 16.889 2.079 ( 14.034 16.333 11.906) 24.606 2.348 ( -14.576 19.652 7.994) 25.740 3.099 ( 9.486 25.613 7.046) 28.208 3.181 ( 1.552 21.924 0.384) 21.982 3.293 ( 6.339 20.452 -3.042) 21.627 3.412 ( -4.979 24.976 -3.177) 25.664 3.997 ( -1.598 6.136 0.670) 6.376 4.019 ( -4.207 3.325 -1.644) 5.608 4.507 ( 3.546 -2.292 -2.149) 4.738 4.625 ( -7.659 -2.639 -2.329) 8.429 6.340 ( 1.361 8.383 7.776) 11.516 6.372 ( -2.301 9.888 7.459) 12.598 7.059 ( 10.907 3.733 6.771) 13.370 7.229 ( -7.246 1.077 7.271) 10.321 8.088 ( 12.608 5.351 2.531) 13.928 8.364 ( -17.032 4.995 -0.616) 17.760 8.776 ( 3.726 11.012 3.281) 12.079 8.848 ( -3.858 5.268 3.719) 7.515 9.212 ( 7.769 10.955 -11.401) 17.617 9.329 ( -4.488 12.518 -12.030) 17.932 9.989 ( 2.465 3.623 -3.997) 5.931 10.042 ( -2.918 0.061 -7.224) 7.792 10.305 ( 3.529 -12.441 -2.156) 13.111 10.380 ( -4.758 -7.520 -1.043) 8.959 10.596 ( 7.849 5.184 -0.985) 9.457 10.756 ( -7.748 4.340 1.046) 8.942 11.009 ( 2.780 2.098 -4.040) 5.334 11.031 ( 2.825 -3.049 -9.764) 10.612 11.671 ( 4.074 -3.217 0.531) 5.218 11.824 ( -10.761 -2.130 5.209) 12.143 12.142 ( 3.104 10.010 -4.139) 11.268 12.224 ( -6.008 9.013 -4.184) 11.612 12.432 ( 5.047 17.033 1.915) 17.868 12.509 ( -3.609 12.574 4.481) 13.828 13.417 ( 11.353 7.287 -27.044) 30.222 13.588 ( -7.659 7.286 -29.670) 31.497 14.637 ( 5.196 2.432 2.244) 6.160 14.729 ( -4.498 3.376 1.771) 5.896 15.971 ( 12.332 -1.092 6.155) 13.826 16.217 ( -13.994 -0.458 1.476) 14.079 17.461 ( 1.777 -6.546 -7.963) 10.460 17.540 ( -5.898 -6.069 -10.094) 13.172 18.457 ( 3.770 -8.729 10.446) 14.125 18.508 ( -1.772 -8.968 10.310) 13.779 19.757 ( 7.499 -26.436 12.605) 30.232 19.869 ( -4.478 -22.945 8.154) 24.760 ======================= Grid point 165 (58/144) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.000 16.620 11.345) 20.123 1.826 ( 0.000 11.109 11.753) 16.172 2.399 ( 0.000 9.979 3.984) 10.745 3.107 ( 0.000 7.394 -4.909) 8.875 3.230 ( 0.000 10.668 -1.449) 10.766 3.318 ( 0.000 10.069 -5.745) 11.592 3.669 ( 0.000 37.813 8.602) 38.780 4.046 ( 0.000 13.554 -2.577) 13.797 4.166 ( 0.000 10.962 -10.683) 15.307 4.231 ( 0.000 17.840 -1.154) 17.878 4.718 ( 0.000 11.519 -0.061) 11.519 4.730 ( 0.000 1.513 1.203) 1.933 6.493 ( 0.000 10.004 11.052) 14.908 6.795 ( 0.000 4.462 11.343) 12.189 6.827 ( 0.000 18.913 8.072) 20.564 7.261 ( 0.000 -0.502 4.000) 4.032 8.140 ( 0.000 16.262 5.743) 17.246 8.598 ( 0.000 -8.080 3.012) 8.623 8.782 ( 0.000 -9.181 4.855) 10.385 9.098 ( 0.000 11.625 1.564) 11.730 9.297 ( 0.000 9.929 -14.931) 17.930 9.704 ( 0.000 9.605 -13.834) 16.842 9.839 ( 0.000 -14.476 -5.035) 15.327 10.041 ( 0.000 -0.992 -12.452) 12.491 10.096 ( 0.000 0.443 -10.591) 10.600 10.384 ( 0.000 0.888 -3.967) 4.065 10.626 ( 0.000 5.452 1.965) 5.796 10.697 ( 0.000 -6.470 -13.155) 14.660 10.830 ( 0.000 11.310 5.311) 12.495 11.210 ( 0.000 1.791 14.217) 14.330 11.635 ( 0.000 -5.302 -7.094) 8.856 11.967 ( 0.000 -5.576 7.298) 9.185 12.269 ( 0.000 4.212 -6.741) 7.948 12.574 ( 0.000 8.846 8.673) 12.388 12.658 ( 0.000 14.484 3.529) 14.908 13.001 ( 0.000 15.659 -33.867) 37.312 13.280 ( 0.000 19.025 -0.778) 19.040 13.913 ( 0.000 9.671 -24.710) 26.536 14.521 ( 0.000 -1.534 4.029) 4.311 14.839 ( 0.000 -0.900 3.351) 3.470 15.721 ( 0.000 0.378 3.101) 3.124 16.537 ( 0.000 1.837 -11.823) 11.964 17.410 ( 0.000 -12.526 -11.024) 16.686 17.458 ( 0.000 -10.753 -4.636) 11.710 18.131 ( 0.000 -10.378 15.785) 18.891 18.319 ( 0.000 -10.741 10.348) 14.915 19.008 ( 0.000 -20.548 20.911) 29.317 19.522 ( 0.000 -20.724 2.610) 20.888 ======================= Grid point 166 (59/144) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 4.139 16.397 7.361) 18.444 1.974 ( 11.261 9.238 12.811) 19.397 2.347 ( -5.094 11.094 2.863) 12.539 2.903 ( -15.482 8.736 0.343) 17.780 3.324 ( 6.641 4.937 -8.133) 11.602 3.436 ( 8.883 15.210 -1.217) 17.655 3.726 ( 5.810 35.889 7.072) 37.038 3.980 ( -4.727 14.032 -5.493) 15.793 4.181 ( -1.823 8.779 -1.056) 9.029 4.259 ( 4.323 21.263 -5.312) 22.338 4.593 ( -9.074 6.612 0.149) 11.229 4.734 ( -3.137 5.879 -0.842) 6.716 6.500 ( 0.824 9.884 11.142) 14.917 6.670 ( -6.121 11.591 10.525) 16.811 6.999 ( 10.737 10.892 8.780) 17.636 7.279 ( 1.438 0.241 4.386) 4.622 8.155 ( 2.290 15.113 4.011) 15.803 8.572 ( -3.216 -4.977 2.515) 6.438 8.783 ( -0.064 -8.829 4.500) 9.910 9.008 ( -12.376 4.542 -2.867) 13.491 9.275 ( 5.034 10.182 -8.605) 14.250 9.677 ( -3.083 10.739 -13.719) 17.693 9.931 ( 5.412 -10.162 -4.965) 12.538 10.057 ( 0.797 -2.208 -10.573) 10.831 10.090 ( 0.959 2.068 -9.679) 9.944 10.425 ( -1.192 0.656 -5.408) 5.577 10.541 ( 1.525 0.901 -3.834) 4.223 10.829 ( 6.370 -2.075 -3.145) 7.401 10.871 ( 5.605 8.984 -0.191) 10.591 11.181 ( -2.485 5.698 11.815) 13.351 11.589 ( -3.994 -6.052 -6.305) 9.609 11.922 ( -5.668 -5.042 8.095) 11.094 12.270 ( 0.403 4.455 -6.417) 7.822 12.481 ( -6.769 7.695 2.031) 10.448 12.724 ( 4.050 14.751 7.494) 17.034 12.905 ( -6.557 20.128 -16.008) 26.540 13.402 ( 9.784 13.033 -14.267) 21.659 13.866 ( -5.086 8.675 -24.415) 26.405 14.564 ( 4.467 -0.668 3.421) 5.666 14.820 ( -2.163 -0.770 3.438) 4.134 15.782 ( 6.715 0.188 3.594) 7.618 16.448 ( -9.862 1.001 -6.747) 11.991 17.316 ( -4.252 -10.589 -6.833) 13.300 17.474 ( -2.051 -9.641 -9.571) 13.739 18.185 ( 4.792 -10.389 12.822) 17.184 18.321 ( 0.048 -10.707 10.141) 14.747 19.088 ( 8.154 -21.607 17.908) 29.224 19.497 ( -2.945 -21.269 3.721) 21.792 ======================= Grid point 167 (60/144) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 9.578 14.739 3.825) 17.989 2.101 ( -3.841 9.340 5.900) 11.696 2.332 ( 10.034 10.983 6.075) 16.069 2.605 ( -16.962 8.417 4.662) 19.501 3.457 ( 7.220 6.534 -6.427) 11.667 3.534 ( 0.361 12.548 -2.780) 12.858 3.844 ( 6.096 29.304 2.329) 30.022 3.920 ( -2.306 22.517 -2.841) 22.812 4.155 ( 1.587 10.957 1.516) 11.174 4.263 ( -6.647 19.752 1.914) 20.928 4.510 ( 3.402 4.919 -4.956) 7.767 4.631 ( -7.463 6.433 -3.357) 10.409 6.527 ( 2.257 10.275 11.216) 15.378 6.582 ( -3.870 11.280 11.011) 16.231 7.176 ( 8.258 7.927 7.623) 13.753 7.277 ( -2.584 3.562 5.899) 7.360 8.251 ( 8.821 11.030 0.572) 14.135 8.447 ( -10.832 4.076 0.009) 11.574 8.781 ( 0.224 -7.693 3.067) 8.284 8.820 ( -5.548 -4.090 -0.516) 6.912 9.431 ( 9.947 9.514 -7.749) 15.796 9.589 ( -6.918 10.021 -11.330) 16.633 9.985 ( 1.920 -3.722 -6.096) 7.396 10.027 ( -2.614 -2.132 -7.351) 8.088 10.178 ( 6.786 -0.025 -7.296) 9.964 10.311 ( -7.724 -0.120 -6.109) 9.848 10.684 ( 9.521 1.771 -2.651) 10.041 10.828 ( -5.296 1.226 0.743) 5.486 11.024 ( 8.577 4.343 -6.223) 11.452 11.140 ( -3.413 9.133 0.726) 9.777 11.576 ( 5.187 -6.091 1.492) 8.138 11.756 ( -11.799 -4.425 7.458) 14.643 12.297 ( 2.769 5.004 -4.942) 7.559 12.369 ( -5.238 5.874 -2.784) 8.348 12.780 ( 2.344 16.677 6.259) 17.966 12.822 ( -2.829 19.815 -0.866) 20.035 13.579 ( 9.522 8.647 -21.498) 25.052 13.741 ( -8.281 7.610 -23.752) 26.280 14.663 ( 5.899 0.044 2.941) 6.592 14.760 ( -4.513 -0.299 3.245) 5.567 15.957 ( 12.383 -0.117 3.967) 13.004 16.211 ( -14.895 -0.039 1.178) 14.941 17.310 ( 3.121 -8.354 -8.990) 12.662 17.397 ( -5.493 -8.193 -10.046) 14.079 18.265 ( 3.630 -10.224 10.157) 14.862 18.311 ( -1.439 -10.432 9.795) 14.382 19.260 ( 9.701 -22.643 11.832) 27.328 19.411 ( -6.658 -22.285 6.827) 24.240 ======================= Grid point 170 (61/144) ======================= q-point: ( 0.00 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 0.000 12.620 1.942) 12.769 2.145 ( 0.000 16.356 6.705) 17.677 2.592 ( 0.000 8.933 2.543) 9.288 3.180 ( 0.000 1.794 -13.040) 13.163 3.348 ( 0.000 2.360 -4.172) 4.793 3.419 ( 0.000 0.254 -0.407) 0.480 4.039 ( 0.000 -5.923 -0.753) 5.971 4.256 ( 0.000 1.193 -4.611) 4.763 4.375 ( 0.000 27.457 1.345) 27.490 4.768 ( 0.000 27.110 0.850) 27.123 4.919 ( 0.000 17.806 2.519) 17.983 5.088 ( 0.000 22.920 -4.692) 23.395 6.677 ( 0.000 8.616 10.935) 13.921 6.982 ( 0.000 14.347 9.797) 17.373 7.200 ( 0.000 15.713 5.347) 16.598 7.291 ( 0.000 5.699 4.922) 7.530 8.383 ( 0.000 -2.132 3.427) 4.036 8.566 ( 0.000 14.996 2.293) 15.170 8.639 ( 0.000 -4.182 2.853) 5.063 9.179 ( 0.000 -2.155 -5.767) 6.157 9.540 ( 0.000 13.318 -12.063) 17.969 9.543 ( 0.000 -10.464 -4.260) 11.297 9.816 ( 0.000 -0.907 -7.321) 7.377 9.982 ( 0.000 -3.082 -10.857) 11.286 10.130 ( 0.000 2.437 -8.989) 9.314 10.426 ( 0.000 2.504 -5.518) 6.060 10.554 ( 0.000 -7.787 -8.106) 11.240 10.710 ( 0.000 2.542 -0.102) 2.544 11.052 ( 0.000 9.311 2.710) 9.697 11.274 ( 0.000 3.841 9.324) 10.084 11.508 ( 0.000 -7.283 -11.235) 13.389 11.811 ( 0.000 -9.780 4.220) 10.651 12.350 ( 0.000 4.844 -2.230) 5.333 12.708 ( 0.000 6.565 8.199) 10.503 12.966 ( 0.000 15.101 4.222) 15.681 13.275 ( 0.000 11.028 -17.473) 20.663 13.675 ( 0.000 19.773 -0.566) 19.781 14.068 ( 0.000 4.884 -18.205) 18.849 14.473 ( 0.000 -3.247 5.187) 6.119 14.803 ( 0.000 -1.793 4.809) 5.133 15.742 ( 0.000 1.707 -0.568) 1.800 16.574 ( 0.000 1.621 -9.504) 9.641 17.136 ( 0.000 -14.591 -9.329) 17.319 17.224 ( 0.000 -12.290 -1.349) 12.364 17.932 ( 0.000 -9.210 15.222) 17.791 18.116 ( 0.000 -8.933 7.424) 11.615 18.691 ( 0.000 -12.454 13.012) 18.011 19.124 ( 0.000 -18.883 0.187) 18.884 ======================= Grid point 171 (62/144) ======================= q-point: ( 0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 4.502 12.484 1.159) 13.322 2.206 ( 6.074 14.098 6.640) 16.725 2.556 ( -3.304 9.581 0.744) 10.162 3.022 ( -14.241 4.364 -2.986) 15.191 3.351 ( 5.404 -1.438 -10.439) 11.842 3.591 ( 9.262 2.085 -1.818) 9.667 3.997 ( -2.629 -5.573 -1.710) 6.394 4.257 ( -0.936 -0.226 -2.239) 2.438 4.418 ( 4.595 27.364 1.307) 27.778 4.783 ( 1.948 26.625 -0.446) 26.700 4.849 ( -7.109 19.940 1.549) 21.226 5.053 ( -3.836 22.590 -4.194) 23.294 6.691 ( 1.675 9.407 10.993) 14.565 6.926 ( -5.036 14.656 10.310) 18.613 7.262 ( 5.503 11.311 4.432) 13.337 7.330 ( 3.558 7.950 5.640) 10.377 8.397 ( 1.652 -0.044 2.912) 3.349 8.561 ( -0.588 12.841 2.317) 13.062 8.642 ( 0.224 -4.211 2.683) 4.998 9.024 ( -14.823 -1.415 -7.330) 16.597 9.430 ( 2.283 3.516 -5.828) 7.179 9.774 ( -4.181 -0.796 -7.737) 8.830 9.808 ( 12.300 0.485 -8.884) 15.180 10.012 ( 2.154 -1.836 -9.714) 10.118 10.135 ( 0.992 2.340 -8.171) 8.557 10.428 ( -4.859 -2.100 -7.242) 8.970 10.528 ( 4.796 -0.775 -4.119) 6.369 10.781 ( 4.596 -1.769 -2.705) 5.619 11.072 ( 2.163 8.297 0.809) 8.613 11.304 ( 3.462 5.280 7.930) 10.136 11.445 ( -5.831 -7.888 -10.710) 14.524 11.786 ( -3.647 -8.424 5.772) 10.843 12.351 ( 0.499 4.907 -2.125) 5.371 12.625 ( -7.563 7.441 6.165) 12.271 13.015 ( 4.384 13.861 3.729) 15.008 13.260 ( -2.000 14.128 -10.152) 17.511 13.688 ( 1.869 15.414 -5.078) 16.336 14.005 ( -6.209 4.710 -16.824) 18.541 14.530 ( 5.434 -2.785 3.874) 7.232 14.785 ( -2.026 -1.996 4.661) 5.460 15.801 ( 6.432 1.652 0.266) 6.646 16.465 ( -11.380 0.546 -4.518) 12.256 17.096 ( -0.603 -11.290 -7.938) 13.815 17.257 ( 0.250 -11.900 -6.087) 13.369 17.980 ( 4.645 -9.618 13.192) 16.974 18.121 ( 0.270 -8.784 7.240) 11.386 18.741 ( 5.289 -14.125 11.943) 19.239 19.092 ( -3.462 -18.958 1.278) 19.314 ======================= Grid point 172 (63/144) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 6.496 11.276 0.612) 13.028 2.292 ( -0.072 10.244 3.638) 10.871 2.546 ( 5.726 10.621 0.392) 12.073 2.753 ( -14.578 7.278 0.633) 16.306 3.489 ( 8.836 -1.993 -8.646) 12.522 3.630 ( -5.092 -0.549 -5.704) 7.666 4.042 ( 7.773 -3.006 0.228) 8.337 4.190 ( -6.711 -1.788 0.425) 6.958 4.533 ( 7.913 26.549 0.739) 27.713 4.693 ( -9.357 23.498 0.400) 25.295 4.848 ( 5.208 25.045 -2.537) 25.706 4.957 ( -6.309 23.145 -3.659) 24.267 6.742 ( 3.962 11.203 11.076) 16.244 6.829 ( -5.378 13.237 10.885) 17.962 7.356 ( 3.957 8.258 4.521) 10.212 7.382 ( 1.202 8.794 5.606) 10.498 8.449 ( 4.230 3.064 2.191) 5.664 8.530 ( -3.489 6.498 3.171) 8.028 8.662 ( 2.934 -1.089 -0.475) 3.165 8.777 ( -10.478 1.760 -5.424) 11.930 9.535 ( 7.720 1.139 -6.076) 9.891 9.672 ( -6.938 -0.494 -7.031) 9.890 9.962 ( 5.283 2.366 -9.095) 10.781 10.021 ( -1.485 1.719 -9.221) 9.496 10.189 ( 5.051 0.266 -6.567) 8.289 10.303 ( -7.203 -1.661 -6.096) 9.582 10.682 ( 9.346 -0.911 -3.879) 10.160 10.804 ( -3.030 -2.209 -3.023) 4.816 11.142 ( 6.087 4.349 -5.266) 9.149 11.278 ( -7.866 1.327 -8.859) 11.921 11.463 ( 9.752 -3.097 6.614) 12.183 11.659 ( -10.129 -5.145 7.238) 13.471 12.386 ( 3.683 5.321 -0.437) 6.486 12.485 ( -7.100 6.632 2.676) 10.077 13.105 ( 5.353 14.702 3.085) 15.947 13.198 ( -4.630 16.342 -0.079) 16.985 13.754 ( 5.468 9.008 -12.030) 15.992 13.875 ( -7.495 5.714 -15.310) 17.978 14.637 ( 5.830 -2.550 3.426) 7.227 14.729 ( -4.161 -2.365 4.086) 6.294 15.968 ( 11.892 1.246 1.603) 12.064 16.215 ( -14.813 0.425 0.827) 14.842 17.135 ( 4.111 -9.277 -8.859) 13.470 17.216 ( -4.139 -9.956 -8.117) 13.496 18.065 ( 3.979 -9.395 9.787) 14.138 18.113 ( -1.408 -8.813 7.727) 11.805 18.866 ( 7.855 -17.103 8.521) 20.659 19.001 ( -6.589 -18.706 4.326) 20.299 ======================= Grid point 175 (64/144) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 0.000 13.656 -3.645) 14.134 2.452 ( 0.000 14.188 3.633) 14.646 2.741 ( 0.000 5.930 -0.609) 5.962 3.201 ( 0.000 0.532 -15.242) 15.251 3.356 ( 0.000 -0.971 -4.128) 4.241 3.377 ( 0.000 -3.390 1.518) 3.714 3.876 ( 0.000 -10.006 -2.721) 10.369 4.135 ( 0.000 -9.513 -4.513) 10.529 4.900 ( 0.000 23.199 0.849) 23.215 5.236 ( 0.000 19.496 2.619) 19.671 5.329 ( 0.000 20.889 3.256) 21.141 5.535 ( 0.000 20.431 -4.799) 20.987 6.877 ( 0.000 12.016 6.006) 13.433 7.305 ( 0.000 16.248 5.060) 17.018 7.317 ( 0.000 3.564 -1.183) 3.755 7.591 ( 0.000 15.848 7.438) 17.507 8.319 ( 0.000 -0.802 5.515) 5.573 8.626 ( 0.000 2.518 -0.039) 2.519 8.918 ( 0.000 16.128 2.191) 16.276 9.067 ( 0.000 -7.604 -9.350) 12.052 9.398 ( 0.000 -3.581 -4.546) 5.787 9.770 ( 0.000 -2.616 -1.053) 2.820 9.793 ( 0.000 11.381 -9.555) 14.860 9.938 ( 0.000 -1.652 -6.029) 6.251 10.171 ( 0.000 1.503 -9.044) 9.168 10.359 ( 0.000 -9.552 -5.315) 10.931 10.522 ( 0.000 5.455 -7.127) 8.975 10.740 ( 0.000 1.071 0.101) 1.076 11.162 ( 0.000 1.531 0.341) 1.569 11.308 ( 0.000 -2.485 -2.760) 3.714 11.367 ( 0.000 -5.138 -12.294) 13.324 11.591 ( 0.000 -11.844 -3.751) 12.424 12.483 ( 0.000 8.562 4.400) 9.626 12.860 ( 0.000 8.403 8.850) 12.203 13.230 ( 0.000 11.109 5.933) 12.594 13.440 ( 0.000 5.754 -1.650) 5.986 14.037 ( 0.000 15.643 -0.872) 15.667 14.093 ( 0.000 -1.853 -11.012) 11.167 14.399 ( 0.000 -3.702 6.213) 7.232 14.785 ( 0.000 -0.202 3.067) 3.074 15.792 ( 0.000 3.480 -2.781) 4.455 16.587 ( 0.000 -0.774 -4.447) 4.514 16.847 ( 0.000 -13.963 -8.224) 16.205 16.984 ( 0.000 -11.535 1.559) 11.640 17.781 ( 0.000 -5.452 12.973) 14.072 17.976 ( 0.000 -5.133 2.929) 5.910 18.478 ( 0.000 -9.394 7.967) 12.318 18.779 ( 0.000 -15.603 -2.427) 15.790 ======================= Grid point 176 (65/144) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 2.562 12.400 -2.490) 12.904 2.486 ( 2.827 13.139 1.938) 13.579 2.724 ( -1.192 7.339 -1.580) 7.601 3.101 ( -10.699 4.020 -4.305) 12.213 3.293 ( 3.680 -3.934 -10.273) 11.600 3.570 ( 8.425 -3.546 -2.767) 9.551 3.832 ( -2.447 -10.204 -2.300) 10.742 4.128 ( -1.511 -9.657 -2.947) 10.209 4.934 ( 3.681 22.949 0.659) 23.251 5.237 ( -1.180 19.561 1.601) 19.662 5.294 ( -2.089 21.521 2.584) 21.776 5.501 ( -3.664 20.487 -4.354) 21.263 6.900 ( 2.622 12.007 6.156) 13.746 7.207 ( -6.570 11.582 4.385) 14.019 7.405 ( 5.809 8.421 0.533) 10.244 7.608 ( 1.054 13.933 5.948) 15.186 8.357 ( 4.128 0.023 5.757) 7.084 8.628 ( -0.152 2.726 1.022) 2.915 8.864 ( -5.381 11.553 0.193) 12.746 8.980 ( -7.317 -1.188 -6.956) 10.165 9.430 ( 3.838 -0.847 -5.219) 6.533 9.734 ( -3.583 -2.046 -2.633) 4.895 9.905 ( 8.589 6.246 -9.696) 14.381 9.988 ( 5.176 -0.441 -5.900) 7.860 10.183 ( 1.121 2.812 -8.686) 9.198 10.317 ( -4.152 -8.083 -4.093) 9.966 10.559 ( 4.336 3.760 -6.025) 8.321 10.764 ( 1.980 0.038 -1.749) 2.642 11.152 ( -1.136 -1.048 -0.765) 1.724 11.272 ( -4.218 -6.559 -10.812) 13.331 11.372 ( 2.052 -0.620 -5.160) 5.588 11.595 ( -0.640 -10.440 -2.127) 10.674 12.490 ( 1.131 9.106 4.982) 10.441 12.799 ( -6.472 9.938 9.902) 15.450 13.238 ( 2.084 7.953 1.689) 8.393 13.466 ( 1.270 7.189 2.677) 7.776 13.962 ( -4.926 7.809 -5.745) 10.875 14.080 ( -3.067 6.781 -6.307) 9.755 14.455 ( 5.519 -4.522 4.671) 8.528 14.756 ( -3.166 -1.063 3.214) 4.635 15.850 ( 6.261 3.434 -1.728) 7.347 16.463 ( -11.707 -0.815 -0.966) 11.775 16.867 ( 2.686 -11.861 -7.906) 14.505 17.015 ( 1.337 -11.989 -1.334) 12.137 17.825 ( 4.461 -5.454 11.223) 13.252 17.986 ( 0.667 -4.682 2.689) 5.440 18.498 ( 2.345 -10.725 7.568) 13.334 18.748 ( -3.323 -15.525 -1.405) 15.938 ======================= Grid point 177 (66/144) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 4.744 10.124 -1.500) 11.280 2.495 ( -2.831 9.670 -0.755) 10.104 2.755 ( 5.766 10.334 -1.758) 11.964 2.907 ( -10.143 8.285 -2.110) 13.265 3.408 ( 8.188 -5.765 -9.252) 13.634 3.560 ( -7.433 -6.035 -7.310) 12.046 3.909 ( 9.090 -8.997 0.281) 12.793 4.058 ( -6.368 -9.432 -0.706) 11.402 5.026 ( 6.238 22.299 0.572) 23.162 5.148 ( -6.866 21.312 1.091) 22.418 5.323 ( 4.088 20.966 -0.516) 21.367 5.414 ( -5.457 20.717 -2.985) 21.631 6.972 ( 5.257 11.950 6.265) 14.481 7.083 ( -6.811 11.853 5.767) 14.836 7.516 ( 5.934 8.581 1.170) 10.499 7.598 ( -2.659 10.499 3.239) 11.305 8.460 ( 6.980 1.773 5.579) 9.110 8.585 ( -5.571 2.622 4.303) 7.512 8.796 ( 0.112 7.075 -3.861) 8.061 8.858 ( -5.684 5.739 -3.858) 8.952 9.529 ( 6.597 -0.143 -5.191) 8.396 9.647 ( -5.964 -0.999 -4.196) 7.360 10.023 ( 4.994 0.993 -8.254) 9.698 10.071 ( 1.219 2.785 -10.028) 10.478 10.205 ( 1.361 2.671 -6.849) 7.476 10.241 ( -3.217 -3.462 -3.122) 5.664 10.674 ( 7.495 0.288 -3.549) 8.298 10.773 ( -2.243 -0.520 -3.504) 4.193 11.138 ( 0.563 -5.469 -6.238) 8.315 11.188 ( -4.395 -5.742 -11.907) 13.930 11.444 ( 5.425 -2.040 -1.786) 6.065 11.544 ( -4.839 -6.722 -0.817) 8.322 12.540 ( 4.697 10.151 6.812) 13.096 12.658 ( -8.004 10.798 9.032) 16.194 13.318 ( 6.327 6.008 1.261) 8.816 13.433 ( -5.120 6.822 4.174) 9.496 13.927 ( 1.619 7.242 -6.918) 10.145 13.997 ( -5.157 8.262 -5.705) 11.287 14.568 ( 6.464 -4.200 3.623) 8.518 14.677 ( -5.391 -2.805 3.412) 6.970 16.008 ( 10.842 2.765 0.280) 11.192 16.229 ( -13.242 1.033 1.119) 13.329 16.934 ( 4.196 -11.108 -6.238) 13.413 17.001 ( -2.690 -11.544 -3.973) 12.502 17.916 ( 4.839 -4.957 7.291) 10.058 17.979 ( -1.856 -4.317 3.813) 6.051 18.566 ( 5.065 -13.348 5.251) 15.212 18.666 ( -5.513 -15.001 1.485) 16.051 ======================= Grid point 180 (67/144) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 0.000 14.052 -6.012) 15.285 2.695 ( 0.000 9.648 0.198) 9.650 2.829 ( 0.000 3.004 -3.418) 4.551 3.201 ( 0.000 -1.404 -10.575) 10.668 3.324 ( 0.000 -0.356 -0.213) 0.415 3.328 ( 0.000 -1.379 -2.896) 3.208 3.658 ( 0.000 -11.312 -5.336) 12.507 3.915 ( 0.000 -12.055 -3.799) 12.640 5.295 ( 0.000 16.458 0.908) 16.483 5.533 ( 0.000 10.120 3.767) 10.798 5.701 ( 0.000 15.922 2.312) 16.089 5.864 ( 0.000 12.062 -3.235) 12.488 7.148 ( 0.000 14.385 -0.402) 14.390 7.397 ( 0.000 4.318 -3.212) 5.382 7.569 ( 0.000 9.407 -3.050) 9.889 7.819 ( 0.000 5.893 0.321) 5.902 8.383 ( 0.000 6.930 9.320) 11.615 8.693 ( 0.000 1.958 -4.793) 5.178 8.950 ( 0.000 -1.772 -0.196) 1.783 9.117 ( 0.000 3.022 3.239) 4.429 9.445 ( 0.000 8.381 -2.906) 8.870 9.739 ( 0.000 -0.105 3.290) 3.292 9.889 ( 0.000 -2.941 -2.199) 3.672 9.987 ( 0.000 7.131 -8.271) 10.921 10.154 ( 0.000 -10.507 -1.182) 10.574 10.190 ( 0.000 0.322 -10.914) 10.919 10.676 ( 0.000 9.492 -11.717) 15.079 10.766 ( 0.000 1.787 1.028) 2.062 11.116 ( 0.000 -5.887 3.613) 6.907 11.188 ( 0.000 -6.692 -19.151) 20.286 11.304 ( 0.000 -3.393 -6.448) 7.287 11.373 ( 0.000 -8.976 -15.300) 17.739 12.678 ( 0.000 10.578 7.909) 13.208 13.006 ( 0.000 4.938 7.085) 8.636 13.410 ( 0.000 7.228 8.800) 11.388 13.520 ( 0.000 2.787 13.272) 13.562 14.034 ( 0.000 -2.992 -8.101) 8.635 14.194 ( 0.000 -2.197 1.135) 2.473 14.422 ( 0.000 8.396 3.993) 9.297 14.774 ( 0.000 -1.367 1.978) 2.404 15.888 ( 0.000 6.350 -3.995) 7.502 16.500 ( 0.000 -9.645 -1.397) 9.745 16.628 ( 0.000 -5.831 -4.297) 7.243 16.774 ( 0.000 -9.214 3.658) 9.914 17.728 ( 0.000 0.109 9.015) 9.016 17.904 ( 0.000 -2.543 0.538) 2.599 18.317 ( 0.000 -6.431 3.695) 7.416 18.506 ( 0.000 -11.753 -4.391) 12.546 ======================= Grid point 181 (68/144) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 0.304 12.691 -4.336) 13.415 2.712 ( 0.180 9.457 -2.666) 9.827 2.848 ( 2.976 4.737 -2.686) 6.206 3.195 ( -4.569 4.139 -7.401) 9.632 3.214 ( -0.189 -2.174 -3.908) 4.476 3.471 ( 5.474 -5.748 -4.497) 9.123 3.614 ( -1.963 -10.961 -3.129) 11.566 3.906 ( -1.589 -12.212 -2.947) 12.663 5.328 ( 3.485 16.478 0.839) 16.863 5.550 ( 1.496 11.072 2.683) 11.490 5.663 ( -3.635 15.488 2.126) 16.050 5.829 ( -3.746 11.911 -2.842) 12.805 7.164 ( 1.926 13.929 -0.211) 14.064 7.378 ( -2.693 6.909 -2.972) 7.988 7.582 ( 2.258 7.044 -2.264) 7.736 7.801 ( -2.148 4.309 -1.301) 4.987 8.435 ( 5.482 7.510 9.331) 13.173 8.715 ( 1.893 3.980 -2.626) 5.130 8.890 ( -5.138 -0.288 -0.699) 5.194 9.070 ( -4.798 3.251 2.702) 6.395 9.482 ( 3.660 6.410 -2.766) 7.883 9.710 ( -2.718 0.103 0.495) 2.765 9.909 ( 1.989 -4.115 -0.663) 4.618 10.055 ( 4.119 1.972 -9.198) 10.269 10.149 ( 1.842 -5.396 -1.109) 5.808 10.249 ( 5.377 3.188 -9.854) 11.669 10.667 ( -0.607 6.289 -7.734) 9.987 10.787 ( 1.863 2.705 -2.870) 4.362 11.037 ( -6.056 -7.997 -3.763) 10.713 11.186 ( -2.000 -3.330 -13.004) 13.571 11.307 ( 1.107 -5.736 -9.418) 11.082 11.396 ( 1.248 -8.659 -11.341) 14.323 12.698 ( 2.327 11.190 8.621) 14.317 12.991 ( -2.467 8.111 9.999) 13.110 13.333 ( -3.849 2.419 4.940) 6.714 13.554 ( -0.527 1.278 13.659) 13.729 14.000 ( -0.460 1.010 -6.886) 6.975 14.258 ( 2.695 3.177 -1.512) 4.432 14.393 ( -0.864 2.297 4.857) 5.442 14.727 ( -4.908 -2.169 2.038) 5.740 15.944 ( 5.888 6.173 -2.648) 8.933 16.436 ( -7.605 -2.041 1.580) 8.031 16.626 ( 1.993 -11.505 -4.663) 12.573 16.791 ( 0.273 -10.335 1.925) 10.517 17.775 ( 4.872 0.392 7.349) 8.826 17.930 ( 2.236 -1.358 -0.211) 2.624 18.310 ( -0.388 -7.841 3.954) 8.790 18.476 ( -3.227 -11.815 -3.502) 12.739 ======================= Grid point 182 (69/144) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 2.372 10.751 -3.663) 11.603 2.678 ( -3.139 8.976 -4.042) 10.332 2.945 ( 7.064 7.864 -2.518) 10.867 3.078 ( -7.166 8.167 -3.250) 11.341 3.280 ( 6.089 -5.967 -7.642) 11.449 3.412 ( -7.704 -7.667 -8.115) 13.564 3.710 ( 8.500 -10.706 -0.164) 13.671 3.842 ( -5.626 -11.927 -1.391) 13.260 5.415 ( 5.859 16.522 0.838) 17.551 5.524 ( -5.403 16.020 1.070) 16.941 5.650 ( 3.616 11.468 0.882) 12.057 5.740 ( -5.558 11.556 -1.500) 12.910 7.219 ( 4.062 12.688 -0.261) 13.325 7.303 ( -4.952 10.579 -1.305) 11.753 7.653 ( 4.932 3.715 -2.721) 6.747 7.740 ( -4.377 2.766 -2.869) 5.920 8.560 ( 7.770 7.954 8.093) 13.753 8.692 ( -5.798 7.787 5.131) 10.981 8.860 ( 3.522 0.819 -3.308) 4.901 8.962 ( -6.563 3.041 0.315) 7.240 9.562 ( 4.907 3.549 -2.477) 6.543 9.648 ( -4.221 1.270 -1.696) 4.722 9.959 ( 3.534 -6.166 -0.945) 7.170 10.030 ( -3.948 -7.293 -2.918) 8.791 10.268 ( 6.913 6.568 -8.748) 12.941 10.323 ( 1.200 7.618 -9.737) 12.421 10.684 ( 3.479 0.077 -2.450) 4.255 10.777 ( -4.607 -0.121 -3.111) 5.560 10.996 ( 3.512 -5.545 -9.582) 11.614 11.105 ( -6.454 -2.671 -11.890) 13.790 11.346 ( 2.850 -7.417 -9.880) 12.679 11.392 ( -1.732 -8.214 -9.574) 12.733 12.770 ( 5.785 12.357 10.448) 17.185 12.896 ( -7.339 12.413 12.182) 18.877 13.346 ( 5.011 -2.649 3.584) 6.706 13.470 ( -7.350 -2.635 8.398) 11.468 14.060 ( 6.339 7.055 -3.231) 10.020 14.192 ( -7.331 9.886 -1.443) 12.391 14.474 ( 7.487 -5.239 3.161) 9.669 14.612 ( -7.401 -3.866 2.328) 8.668 16.085 ( 9.293 5.239 0.016) 10.668 16.265 ( -10.296 2.963 1.926) 10.886 16.692 ( 4.398 -12.887 -2.453) 13.835 16.764 ( -3.127 -11.995 -0.005) 12.396 17.878 ( 5.638 1.057 3.635) 6.791 17.947 ( -1.321 0.959 0.103) 1.636 18.325 ( 2.615 -10.877 2.775) 11.526 18.399 ( -4.831 -11.882 -0.836) 12.854 ======================= Grid point 185 (70/144) ======================= q-point: ( 0.00 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 0.000 3.467 -3.886) 5.208 2.841 ( 0.000 3.630 -4.484) 5.769 2.899 ( 0.000 9.786 -6.984) 12.022 3.107 ( 0.000 -8.052 -5.604) 9.810 3.322 ( 0.000 1.227 -0.875) 1.507 3.369 ( 0.000 -0.024 2.107) 2.107 3.500 ( 0.000 0.718 -9.762) 9.788 3.672 ( 0.000 -11.889 -4.838) 12.836 5.549 ( 0.000 8.794 2.225) 9.072 5.636 ( 0.000 0.262 3.593) 3.602 5.943 ( 0.000 7.911 0.552) 7.930 6.004 ( 0.000 1.942 -1.302) 2.338 7.401 ( 0.000 9.280 -4.561) 10.340 7.467 ( 0.000 1.680 -4.807) 5.092 7.697 ( 0.000 5.162 -8.899) 10.288 7.815 ( 0.000 -5.154 -8.370) 9.830 8.546 ( 0.000 7.858 7.718) 11.014 8.663 ( 0.000 -3.940 -0.521) 3.974 9.014 ( 0.000 5.685 7.510) 9.419 9.106 ( 0.000 -2.929 5.677) 6.389 9.641 ( 0.000 9.532 0.822) 9.568 9.783 ( 0.000 4.900 3.105) 5.801 9.798 ( 0.000 -6.185 1.804) 6.443 9.934 ( 0.000 -9.611 -1.091) 9.673 10.117 ( 0.000 4.416 -8.012) 9.148 10.178 ( 0.000 -1.686 -11.416) 11.540 10.821 ( 0.000 3.866 1.822) 4.273 10.859 ( 0.000 6.278 -10.820) 12.509 10.979 ( 0.000 -4.533 -2.678) 5.265 11.060 ( 0.000 -6.581 -21.265) 22.260 11.240 ( 0.000 -1.951 -10.731) 10.907 11.253 ( 0.000 -3.285 -16.997) 17.312 12.882 ( 0.000 9.261 7.650) 12.012 13.019 ( 0.000 -3.707 5.786) 6.872 13.522 ( 0.000 3.890 13.912) 14.445 13.557 ( 0.000 0.451 19.735) 19.740 14.012 ( 0.000 1.495 -5.379) 5.583 14.092 ( 0.000 -5.748 0.480) 5.768 14.600 ( 0.000 7.837 1.954) 8.077 14.720 ( 0.000 -4.240 1.788) 4.601 16.049 ( 0.000 9.705 -4.456) 10.680 16.268 ( 0.000 -11.995 -4.244) 12.724 16.579 ( 0.000 -0.003 3.137) 3.137 16.629 ( 0.000 -5.072 4.607) 6.852 17.772 ( 0.000 3.783 5.316) 6.525 17.850 ( 0.000 -3.384 2.154) 4.012 18.246 ( 0.000 -0.061 -1.431) 1.432 18.318 ( 0.000 -6.888 -4.554) 8.258 ======================= Grid point 186 (71/144) ======================= q-point: ( 0.20 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 0.037 6.722 -4.249) 7.953 2.881 ( 1.366 1.105 -5.544) 5.815 2.908 ( 2.315 9.011 -6.179) 11.169 3.111 ( 0.005 -7.666 -5.981) 9.723 3.310 ( -1.506 3.415 0.096) 3.733 3.394 ( 3.458 -3.716 0.137) 5.078 3.464 ( -3.402 2.283 -8.289) 9.246 3.657 ( -1.895 -12.329 -4.081) 13.125 5.582 ( 3.558 8.776 1.937) 9.666 5.666 ( 3.215 0.631 2.913) 4.384 5.900 ( -4.466 7.943 0.570) 9.130 5.965 ( -4.173 1.713 -1.060) 4.634 7.416 ( 1.674 9.802 -4.461) 10.899 7.489 ( 1.997 2.798 -5.571) 6.546 7.668 ( -2.667 3.422 -7.434) 8.607 7.777 ( -3.736 -5.560 -8.152) 10.551 8.603 ( 5.843 7.817 7.283) 12.177 8.714 ( 5.270 -3.248 -0.338) 6.199 8.972 ( -4.394 6.322 6.943) 10.367 9.069 ( -4.029 -2.772 5.172) 7.118 9.638 ( 0.292 8.098 0.397) 8.113 9.749 ( -2.173 2.520 0.208) 3.334 9.804 ( -0.044 -4.434 2.767) 5.226 9.913 ( -2.264 -9.245 -0.712) 9.544 10.216 ( 9.941 5.236 -7.844) 13.702 10.280 ( 9.558 -0.720 -8.859) 13.052 10.762 ( -5.015 3.647 -2.943) 6.864 10.843 ( -4.982 -2.843 -2.803) 6.385 10.948 ( 0.684 4.788 -13.068) 13.934 11.097 ( 2.588 -6.858 -15.475) 17.123 11.211 ( -2.718 -1.178 -13.412) 13.735 11.260 ( -0.256 -5.112 -13.534) 14.470 12.912 ( 3.470 9.756 8.290) 13.264 13.052 ( 3.569 -2.952 6.766) 8.199 13.400 ( -9.663 5.358 13.222) 17.231 13.514 ( -6.589 -4.779 15.566) 17.566 14.062 ( 6.047 5.147 -2.593) 8.353 14.182 ( 7.955 -6.267 0.693) 10.150 14.536 ( -6.612 7.692 1.573) 10.264 14.660 ( -6.215 -4.714 1.555) 7.954 16.100 ( 5.373 9.489 -2.961) 11.299 16.310 ( 4.233 -10.712 -2.698) 11.830 16.517 ( -5.721 1.409 3.131) 6.673 16.611 ( -2.568 -7.352 3.782) 8.658 17.826 ( 5.482 4.018 4.144) 7.961 17.900 ( 5.097 -2.579 1.140) 5.825 18.214 ( -3.382 -0.804 -0.861) 3.581 18.284 ( -3.636 -7.127 -3.941) 8.919 ======================= Grid point 187 (72/144) ======================= q-point: ( 0.40 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 1.960 9.221 -5.048) 10.693 2.868 ( -1.908 10.332 -6.074) 12.136 2.987 ( 5.389 -4.543 -5.601) 9.003 3.079 ( -3.992 -8.474 -6.253) 11.262 3.308 ( 2.245 7.708 -1.625) 8.192 3.379 ( -4.708 7.392 -5.526) 10.361 3.495 ( 6.001 -10.519 -1.062) 12.157 3.597 ( -4.746 -12.353 -2.516) 13.470 5.671 ( 6.020 8.840 1.278) 10.771 5.743 ( 4.102 3.107 1.191) 5.282 5.801 ( -5.047 6.228 0.924) 8.069 5.866 ( -6.235 1.134 -0.158) 6.340 7.460 ( 3.056 10.743 -4.900) 12.197 7.507 ( -1.114 9.239 -6.211) 11.189 7.642 ( 1.062 -4.060 -5.934) 7.268 7.700 ( -4.382 -6.186 -7.240) 10.482 8.731 ( 7.676 7.759 6.478) 12.692 8.830 ( 5.787 -0.361 1.151) 5.911 8.871 ( -5.251 5.202 6.150) 9.615 8.968 ( -6.815 -2.462 3.404) 8.006 9.663 ( 2.366 6.363 0.045) 6.789 9.710 ( -2.466 5.173 -0.238) 5.736 9.813 ( 1.607 -7.711 1.392) 7.999 9.860 ( -3.192 -8.703 0.165) 9.271 10.418 ( 10.488 7.040 -7.971) 14.937 10.458 ( 7.928 4.247 -6.878) 11.323 10.660 ( -5.138 -1.621 -4.214) 6.840 10.706 ( -8.400 -5.722 -3.622) 10.790 11.010 ( 5.223 6.122 -13.570) 15.777 11.108 ( -4.008 2.728 -13.305) 14.161 11.177 ( 1.798 -8.297 -13.885) 16.275 11.231 ( -2.836 -7.533 -12.909) 15.213 13.009 ( 7.056 11.044 10.088) 16.539 13.117 ( -0.227 7.019 10.964) 13.021 13.251 ( -2.369 -3.971 8.872) 10.005 13.358 ( -9.312 -7.894 10.939) 16.392 14.207 ( 9.251 7.425 -0.205) 11.864 14.336 ( 6.300 -2.428 0.197) 6.755 14.392 ( -6.373 3.871 1.747) 7.658 14.517 ( -9.043 -5.768 1.376) 10.814 16.223 ( 7.733 8.703 0.067) 11.642 16.353 ( -4.467 4.848 2.092) 6.916 16.446 ( 2.731 -10.150 0.091) 10.511 16.538 ( -5.260 -10.251 2.185) 11.727 17.945 ( 6.825 5.099 1.458) 8.643 17.998 ( 3.537 2.646 -1.077) 4.546 18.144 ( -2.595 -5.915 0.616) 6.489 18.195 ( -5.688 -8.277 -2.003) 10.241 ======================= Grid point 225 (73/144) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.000 0.000 18.752) 18.752 1.752 ( 0.000 0.000 25.060) 25.060 1.844 ( 0.000 0.000 4.755) 4.755 2.121 ( 0.000 0.000 6.539) 6.539 2.471 ( 0.000 0.000 1.761) 1.761 2.684 ( 0.000 0.000 -2.667) 2.667 2.758 ( 0.000 0.000 33.713) 33.713 3.067 ( 0.000 0.000 0.886) 0.886 3.698 ( 0.000 0.000 -13.825) 13.825 3.891 ( 0.000 0.000 -14.623) 14.623 4.828 ( 0.000 0.000 0.494) 0.494 4.982 ( 0.000 0.000 8.730) 8.730 6.158 ( 0.000 0.000 2.390) 2.390 6.193 ( 0.000 0.000 2.134) 2.134 6.843 ( 0.000 0.000 6.369) 6.369 7.744 ( 0.000 0.000 6.567) 6.567 7.753 ( 0.000 0.000 3.154) 3.154 7.967 ( 0.000 0.000 -1.388) 1.388 8.314 ( 0.000 0.000 17.040) 17.040 8.806 ( 0.000 0.000 -9.030) 9.030 8.816 ( 0.000 0.000 4.459) 4.459 8.837 ( 0.000 0.000 4.076) 4.076 10.089 ( 0.000 0.000 3.192) 3.192 10.130 ( 0.000 0.000 -11.736) 11.736 10.173 ( 0.000 0.000 -11.714) 11.714 10.254 ( 0.000 0.000 -4.740) 4.740 10.435 ( 0.000 0.000 -1.689) 1.689 10.560 ( 0.000 0.000 -4.117) 4.117 10.919 ( 0.000 0.000 -12.377) 12.377 11.436 ( 0.000 0.000 3.032) 3.032 11.449 ( 0.000 0.000 -6.820) 6.820 11.670 ( 0.000 0.000 -2.415) 2.415 11.903 ( 0.000 0.000 5.967) 5.967 12.022 ( 0.000 0.000 2.680) 2.680 12.342 ( 0.000 0.000 1.552) 1.552 12.494 ( 0.000 0.000 2.202) 2.202 12.681 ( 0.000 0.000 -2.395) 2.395 12.976 ( 0.000 0.000 -23.119) 23.119 14.530 ( 0.000 0.000 0.977) 0.977 14.564 ( 0.000 0.000 0.480) 0.480 15.959 ( 0.000 0.000 8.037) 8.037 16.302 ( 0.000 0.000 -6.148) 6.148 17.548 ( 0.000 0.000 -12.186) 12.186 17.611 ( 0.000 0.000 -9.845) 9.845 18.782 ( 0.000 0.000 10.927) 10.927 18.872 ( 0.000 0.000 8.208) 8.208 20.450 ( 0.000 0.000 4.243) 4.243 20.712 ( 0.000 0.000 -3.894) 3.894 ======================= Grid point 226 (74/144) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 4.161 0.000 17.347) 17.839 1.744 ( 0.300 0.000 24.970) 24.972 1.802 ( -4.412 0.000 6.251) 7.651 2.081 ( -4.683 0.000 9.339) 10.447 2.497 ( 2.704 0.000 0.984) 2.878 2.668 ( -1.820 0.000 -2.431) 3.036 2.852 ( 8.271 0.000 24.791) 26.134 3.009 ( -3.901 0.000 -3.892) 5.510 3.827 ( 11.410 0.000 -8.225) 14.065 3.909 ( 2.805 0.000 -8.492) 8.944 4.764 ( -6.887 0.000 0.879) 6.942 4.869 ( -11.132 0.000 6.224) 12.754 6.162 ( 0.350 0.000 2.364) 2.389 6.190 ( -0.358 0.000 2.157) 2.186 6.913 ( 7.587 0.000 6.402) 9.927 7.618 ( -12.435 0.000 4.709) 13.297 7.772 ( 2.053 0.000 2.789) 3.463 7.945 ( -2.349 0.000 -0.868) 2.504 8.411 ( 10.068 0.000 12.514) 16.062 8.819 ( 0.327 0.000 4.362) 4.375 8.836 ( -0.112 0.000 4.067) 4.068 8.854 ( 2.460 0.000 -4.403) 5.044 9.961 ( -3.256 0.000 1.923) 3.781 10.134 ( 0.441 0.000 -11.734) 11.742 10.169 ( -0.441 0.000 -11.719) 11.728 10.363 ( -6.995 0.000 -1.006) 7.067 10.544 ( 19.175 0.000 -7.200) 20.482 10.608 ( 5.224 0.000 -5.178) 7.356 10.999 ( 8.069 0.000 -10.306) 13.089 11.418 ( -2.828 0.000 -7.365) 7.889 11.455 ( 2.005 0.000 2.706) 3.368 11.640 ( -3.015 0.000 -1.286) 3.278 11.922 ( 1.887 0.000 5.028) 5.370 12.015 ( -0.796 0.000 2.782) 2.893 12.121 ( -16.605 0.000 2.048) 16.731 12.365 ( -12.804 0.000 -3.608) 13.303 12.834 ( 10.598 0.000 -4.460) 11.498 13.019 ( 3.151 0.000 -16.925) 17.216 14.531 ( 1.191 0.000 1.592) 1.988 14.605 ( 2.520 0.000 0.259) 2.533 15.988 ( 3.297 0.000 6.201) 7.023 16.279 ( -2.713 0.000 -5.388) 6.033 17.509 ( -3.468 0.000 -9.736) 10.335 17.570 ( -4.024 0.000 -9.557) 10.370 18.805 ( 2.516 0.000 10.671) 10.964 18.898 ( 1.921 0.000 8.645) 8.856 20.443 ( -0.074 0.000 3.700) 3.700 20.673 ( -4.147 0.000 -2.552) 4.869 ======================= Grid point 227 (75/144) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 6.615 0.000 13.875) 15.372 1.697 ( -6.716 0.000 9.758) 11.846 1.802 ( 6.394 0.000 21.515) 22.445 1.952 ( -8.934 0.000 15.410) 17.812 2.557 ( 3.686 0.000 -0.486) 3.718 2.621 ( -3.200 0.000 -1.705) 3.625 2.967 ( 3.055 0.000 3.801) 4.877 2.982 ( 0.469 0.000 -4.567) 4.591 3.986 ( 6.936 0.000 4.930) 8.509 4.026 ( 5.396 0.000 4.120) 6.789 4.619 ( -5.869 0.000 0.436) 5.885 4.663 ( -9.367 0.000 -2.701) 9.748 6.170 ( 0.570 0.000 2.297) 2.367 6.181 ( -0.575 0.000 2.218) 2.291 7.102 ( 12.830 0.000 5.404) 13.922 7.359 ( -15.058 0.000 4.158) 15.621 7.823 ( 3.445 0.000 1.775) 3.876 7.889 ( -3.625 0.000 0.390) 3.646 8.627 ( 12.392 0.000 5.625) 13.609 8.814 ( -7.202 0.000 1.012) 7.273 8.826 ( 0.401 0.000 4.185) 4.204 8.832 ( -0.272 0.000 4.080) 4.089 10.023 ( 8.651 0.000 2.298) 8.951 10.145 ( 0.717 0.000 -11.731) 11.753 10.158 ( -0.718 0.000 -11.728) 11.750 10.205 ( -10.134 0.000 1.338) 10.222 10.719 ( 6.819 0.000 -9.301) 11.533 10.778 ( 3.388 0.000 -10.187) 10.736 11.182 ( 11.404 0.000 -6.270) 13.014 11.354 ( -5.805 0.000 -6.456) 8.682 11.505 ( 3.457 0.000 1.796) 3.896 11.574 ( -3.947 0.000 0.428) 3.970 11.925 ( -0.761 0.000 -2.621) 2.729 11.960 ( 2.084 0.000 3.825) 4.356 11.993 ( -1.544 0.000 3.123) 3.484 12.095 ( -15.320 0.000 -7.526) 17.069 12.987 ( 5.958 0.000 -7.218) 9.360 13.046 ( -0.671 0.000 -10.651) 10.672 14.574 ( 3.094 0.000 1.693) 3.527 14.619 ( -1.208 0.000 0.989) 1.561 16.080 ( 6.562 0.000 1.826) 6.811 16.200 ( -5.973 0.000 -2.644) 6.532 17.463 ( -0.678 0.000 -7.374) 7.405 17.493 ( -3.647 0.000 -8.209) 8.983 18.863 ( 3.449 0.000 10.326) 10.887 18.909 ( -1.090 0.000 9.677) 9.738 20.475 ( 3.967 0.000 2.033) 4.457 20.574 ( -6.234 0.000 -0.167) 6.236 ======================= Grid point 230 (76/144) ======================= q-point: ( 0.00 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 0.000 22.310 18.924) 29.255 1.769 ( 0.000 2.344 23.300) 23.417 2.162 ( 0.000 28.402 4.050) 28.690 2.168 ( 0.000 4.458 6.256) 7.682 2.631 ( 0.000 14.484 2.954) 14.782 2.817 ( 0.000 7.800 27.083) 28.183 2.884 ( 0.000 16.317 -3.476) 16.683 3.076 ( 0.000 3.097 -0.097) 3.099 3.677 ( 0.000 -0.797 -13.528) 13.551 3.898 ( 0.000 0.945 -13.757) 13.790 4.810 ( 0.000 -1.800 0.282) 1.822 4.907 ( 0.000 -6.630 7.288) 9.852 6.282 ( 0.000 8.286 4.693) 9.523 6.291 ( 0.000 12.423 4.260) 13.133 6.856 ( 0.000 2.110 8.600) 8.855 7.593 ( 0.000 -9.502 5.509) 10.983 8.065 ( 0.000 14.972 2.975) 15.265 8.256 ( 0.000 22.543 -0.765) 22.556 8.332 ( 0.000 14.425 6.842) 15.966 8.769 ( 0.000 1.631 -10.107) 10.238 8.890 ( 0.000 3.919 6.223) 7.355 9.031 ( 0.000 10.887 5.824) 12.347 9.884 ( 0.000 -9.865 -6.737) 11.946 9.926 ( 0.000 -9.132 -11.274) 14.509 10.272 ( 0.000 -3.177 -9.456) 9.975 10.342 ( 0.000 6.910 -2.461) 7.335 10.568 ( 0.000 -0.349 -7.061) 7.069 10.675 ( 0.000 9.498 -0.949) 9.545 10.763 ( 0.000 -10.301 -8.188) 13.159 11.072 ( 0.000 -8.441 -2.919) 8.931 11.689 ( 0.000 6.245 1.604) 6.448 11.807 ( 0.000 10.588 -4.453) 11.486 11.914 ( 0.000 2.286 5.672) 6.115 12.048 ( 0.000 2.685 2.227) 3.489 12.463 ( 0.000 9.366 0.082) 9.367 12.490 ( 0.000 -0.109 2.405) 2.408 12.734 ( 0.000 5.611 -2.278) 6.056 13.011 ( 0.000 4.145 -25.474) 25.810 14.552 ( 0.000 1.925 1.773) 2.617 14.646 ( 0.000 7.143 -0.140) 7.145 15.936 ( 0.000 -2.291 8.019) 8.340 16.306 ( 0.000 0.450 -6.322) 6.338 17.508 ( 0.000 -4.056 -12.131) 12.791 17.576 ( 0.000 -3.515 -9.910) 10.515 18.730 ( 0.000 -5.121 11.094) 12.218 18.822 ( 0.000 -4.834 8.020) 9.365 20.325 ( 0.000 -12.157 3.879) 12.761 20.457 ( 0.000 -23.463 2.286) 23.574 ======================= Grid point 231 (77/144) ======================= q-point: ( 0.20 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 0.834 10.968 21.345) 24.013 1.804 ( 3.867 14.472 18.376) 23.708 2.061 ( -7.038 14.481 6.635) 17.415 2.174 ( -3.600 16.842 7.586) 18.819 2.666 ( 3.765 15.304 1.198) 15.806 2.865 ( -1.143 16.214 0.070) 16.255 2.905 ( 7.179 7.044 17.296) 20.008 3.033 ( -2.751 4.822 -3.653) 6.645 3.798 ( 10.623 -1.914 -9.007) 14.058 3.917 ( 2.974 1.039 -8.090) 8.682 4.730 ( -8.466 -3.483 2.122) 9.397 4.815 ( -9.065 -4.452 3.569) 10.711 6.281 ( -0.103 8.784 4.692) 9.959 6.285 ( -0.432 11.317 4.325) 12.124 6.932 ( 7.920 2.420 7.713) 11.317 7.537 ( -7.043 -6.096 4.467) 10.330 8.013 ( -2.498 10.344 3.677) 11.259 8.189 ( -3.552 26.489 -0.374) 26.728 8.475 ( 9.192 12.017 4.464) 15.774 8.699 ( -3.653 -3.191 -1.185) 4.993 8.941 ( 2.512 6.667 3.278) 7.843 9.067 ( 2.229 10.322 2.154) 10.777 9.850 ( -0.581 -6.035 -5.482) 8.174 9.945 ( 0.661 -10.100 -12.135) 15.802 10.250 ( 0.748 3.069 -8.444) 9.015 10.458 ( 4.995 -1.125 -1.199) 5.259 10.593 ( 2.824 -2.988 -7.175) 8.269 10.642 ( -0.212 7.342 -4.252) 8.487 10.846 ( 7.058 -9.093 -7.135) 13.543 11.057 ( -1.634 -11.094 -2.382) 11.464 11.662 ( -1.933 4.867 0.883) 5.311 11.835 ( 2.333 14.175 -4.112) 14.943 11.925 ( 1.408 2.190 4.253) 4.987 12.044 ( -0.276 3.237 2.283) 3.970 12.253 ( -14.966 7.009 0.731) 16.542 12.420 ( -8.858 7.929 -3.045) 12.272 12.866 ( 9.291 3.284 -4.684) 10.911 13.040 ( 2.165 2.687 -19.430) 19.734 14.564 ( 1.706 2.702 2.106) 3.827 14.671 ( 1.577 5.979 0.183) 6.186 15.969 ( 3.832 -1.780 6.310) 7.594 16.282 ( -2.828 0.358 -5.484) 6.180 17.468 ( -3.485 -4.094 -9.698) 11.089 17.535 ( -4.039 -3.489 -9.709) 11.079 18.752 ( 2.402 -5.173 10.738) 12.159 18.844 ( 1.619 -5.201 8.500) 10.096 20.306 ( -0.951 -13.658 3.877) 14.229 20.451 ( -1.432 -20.303 1.793) 20.432 ======================= Grid point 232 (78/144) ======================= q-point: ( 0.40 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 6.133 7.101 18.112) 20.398 1.892 ( 1.291 15.630 12.774) 20.227 1.932 ( -2.666 13.975 12.743) 19.100 2.053 ( -8.383 18.095 10.755) 22.658 2.749 ( 4.799 17.532 -0.045) 18.177 2.823 ( -3.235 18.123 -1.096) 18.442 3.011 ( 2.623 4.577 0.310) 5.285 3.020 ( 0.994 6.013 -2.636) 6.640 3.962 ( 7.573 -2.024 2.547) 8.242 4.018 ( 4.165 -0.232 3.564) 5.487 4.571 ( -5.162 -4.301 0.140) 6.721 4.632 ( -9.562 -2.710 -3.005) 10.383 6.279 ( -0.052 9.868 4.588) 10.883 6.280 ( -0.151 9.591 4.456) 10.576 7.118 ( 12.070 1.839 5.703) 13.475 7.347 ( -12.695 -0.735 4.062) 13.349 8.030 ( 3.647 12.710 3.127) 13.587 8.113 ( -4.868 20.462 1.462) 21.084 8.608 ( 5.120 5.678 2.030) 7.910 8.662 ( -1.445 -2.301 1.980) 3.362 8.987 ( 3.196 8.727 2.922) 9.743 9.054 ( -3.373 9.704 0.958) 10.318 9.889 ( 3.712 -6.510 -6.751) 10.087 9.940 ( -1.485 -9.033 -10.541) 13.961 10.307 ( 5.433 7.629 -4.477) 10.381 10.422 ( -6.111 8.441 -0.404) 10.428 10.661 ( 3.576 -6.595 -7.515) 10.619 10.683 ( 1.794 -8.963 -7.462) 11.800 10.962 ( 4.427 -9.671 -5.368) 11.914 11.017 ( -2.548 -13.668 -1.877) 14.029 11.682 ( 5.768 4.279 -0.006) 7.182 11.828 ( -6.159 11.294 -0.465) 12.872 11.965 ( 2.799 3.044 1.198) 4.305 12.035 ( -6.727 5.047 -1.429) 8.530 12.071 ( 4.992 11.176 -1.953) 12.395 12.230 ( -11.014 14.539 -6.393) 19.328 13.001 ( 5.361 1.673 -7.894) 9.687 13.056 ( -0.847 1.415 -12.165) 12.276 14.615 ( 3.567 3.588 2.142) 5.494 14.670 ( -1.888 4.583 1.306) 5.126 16.072 ( 7.087 -0.795 2.122) 7.440 16.199 ( -6.278 -0.029 -2.476) 6.749 17.424 ( -0.535 -3.960 -7.505) 8.503 17.457 ( -3.805 -3.635 -8.432) 9.940 18.807 ( 3.279 -5.453 10.257) 12.070 18.851 ( -1.170 -5.579 9.558) 11.129 20.323 ( 3.022 -14.757 2.827) 15.326 20.396 ( -4.245 -16.674 1.810) 17.301 ======================= Grid point 235 (79/144) ======================= q-point: ( 0.00 0.13 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.000 7.343 18.855) 20.234 2.059 ( 0.000 8.842 23.488) 25.097 2.292 ( 0.000 8.308 5.531) 9.981 2.793 ( 0.000 29.566 3.312) 29.751 2.957 ( 0.000 15.712 1.815) 15.817 3.002 ( 0.000 1.125 -5.932) 6.038 3.163 ( 0.000 26.976 10.755) 29.041 3.453 ( 0.000 28.576 -2.966) 28.730 3.736 ( 0.000 8.326 -11.384) 14.104 3.948 ( 0.000 4.923 -10.972) 12.026 4.763 ( 0.000 -2.460 0.034) 2.460 4.764 ( 0.000 -6.567 4.427) 7.919 6.488 ( 0.000 11.621 9.922) 15.281 6.610 ( 0.000 18.692 7.563) 20.164 6.934 ( 0.000 5.256 11.003) 12.194 7.426 ( 0.000 -6.863 4.726) 8.333 8.123 ( 0.000 2.087 11.314) 11.505 8.716 ( 0.000 19.360 -7.818) 20.879 8.848 ( 0.000 -0.223 9.085) 9.087 8.874 ( 0.000 9.479 -5.028) 10.730 8.959 ( 0.000 25.964 -13.893) 29.448 9.104 ( 0.000 -4.771 6.935) 8.417 9.802 ( 0.000 0.636 -11.273) 11.291 9.846 ( 0.000 0.409 -12.986) 12.992 10.079 ( 0.000 -16.128 -8.361) 18.167 10.362 ( 0.000 -5.519 -2.737) 6.161 10.483 ( 0.000 -2.165 -15.335) 15.487 10.600 ( 0.000 -3.794 0.317) 3.808 10.755 ( 0.000 6.946 4.352) 8.197 11.253 ( 0.000 11.285 -4.397) 12.111 11.715 ( 0.000 -2.908 5.937) 6.611 11.989 ( 0.000 5.866 -5.291) 7.899 12.107 ( 0.000 18.900 -3.458) 19.214 12.126 ( 0.000 4.904 2.108) 5.338 12.521 ( 0.000 4.529 2.434) 5.141 12.617 ( 0.000 5.682 3.556) 6.703 12.921 ( 0.000 13.442 -2.066) 13.600 13.170 ( 0.000 11.913 -27.587) 30.050 14.591 ( 0.000 1.576 3.317) 3.673 14.790 ( 0.000 6.012 -1.041) 6.102 15.875 ( 0.000 -3.518 7.575) 8.352 16.322 ( 0.000 1.210 -6.784) 6.891 17.387 ( 0.000 -8.001 -11.811) 14.266 17.473 ( 0.000 -6.670 -9.861) 11.905 18.589 ( 0.000 -8.659 11.550) 14.435 18.689 ( 0.000 -8.245 7.805) 11.353 19.893 ( 0.000 -30.389 10.789) 32.247 19.994 ( 0.000 -20.153 2.832) 20.351 ======================= Grid point 236 (80/144) ======================= q-point: ( 0.20 0.13 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.504 7.241 18.612) 19.978 2.158 ( 8.006 10.256 19.109) 23.118 2.223 ( -6.809 9.003 6.539) 13.045 2.674 ( -9.910 19.982 3.265) 22.542 3.003 ( 5.674 16.233 -3.233) 17.497 3.096 ( 6.235 13.060 -0.172) 14.473 3.216 ( 4.876 25.567 8.538) 27.393 3.410 ( -3.718 26.469 -4.291) 27.071 3.822 ( 7.336 6.969 -9.058) 13.581 3.969 ( 3.308 4.896 -6.910) 9.092 4.635 ( -10.254 -5.060 2.965) 11.813 4.732 ( -6.190 -3.399 -0.187) 7.064 6.494 ( 0.604 11.917 9.792) 15.436 6.577 ( -2.662 16.616 8.514) 18.859 7.020 ( 8.106 6.285 9.010) 13.653 7.423 ( -1.293 -4.843 4.357) 6.641 8.099 ( -0.569 3.518 8.722) 9.422 8.643 ( -12.988 2.049 -2.382) 13.363 8.777 ( 1.862 23.445 0.973) 23.539 8.921 ( 3.953 19.329 -0.883) 19.749 8.985 ( 1.118 0.079 -0.887) 1.429 9.145 ( 2.022 -0.446 -3.758) 4.291 9.813 ( 1.422 1.544 -10.480) 10.688 9.849 ( 0.303 0.101 -12.776) 12.780 10.129 ( 4.746 -14.250 -8.175) 17.100 10.387 ( 0.184 -8.360 -6.343) 10.495 10.453 ( 1.144 -1.645 -3.208) 3.782 10.686 ( 6.461 0.856 -4.886) 8.146 10.792 ( 3.746 3.633 0.156) 5.221 11.147 ( -10.292 9.909 -2.940) 14.587 11.672 ( -2.877 -2.687 4.317) 5.842 12.011 ( 1.067 4.701 -0.701) 4.871 12.080 ( -2.251 7.314 0.111) 7.653 12.217 ( 8.585 17.078 -4.115) 19.553 12.342 ( -13.258 5.376 -0.891) 14.335 12.647 ( -1.176 11.472 4.239) 12.286 12.983 ( 5.418 9.534 -5.159) 12.119 13.160 ( -1.054 9.916 -24.181) 26.157 14.617 ( 2.871 2.185 3.331) 4.910 14.794 ( -0.140 5.219 -0.108) 5.222 15.921 ( 5.074 -2.843 6.243) 8.533 16.295 ( -3.186 1.029 -5.650) 6.568 17.347 ( -3.395 -7.956 -9.486) 12.838 17.435 ( -3.973 -6.485 -10.001) 12.564 18.610 ( 2.208 -8.670 10.958) 14.147 18.702 ( 0.818 -8.817 8.297) 12.135 19.888 ( 0.390 -26.966 8.348) 28.231 20.005 ( 0.238 -22.273 3.378) 22.529 ======================= Grid point 237 (81/144) ======================= q-point: ( 0.40 0.13 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 6.617 7.398 14.329) 17.431 2.053 ( -10.230 7.333 9.481) 15.758 2.323 ( 9.226 14.985 12.696) 21.699 2.493 ( -9.713 17.022 6.710) 20.715 3.121 ( 6.197 15.939 -3.517) 17.459 3.176 ( 1.365 18.313 0.266) 18.366 3.288 ( 2.675 24.226 -0.543) 24.380 3.343 ( -3.439 25.759 -3.395) 26.209 3.957 ( 8.111 3.710 -0.902) 8.965 4.050 ( 1.425 4.824 1.424) 5.227 4.476 ( -3.227 -4.597 -1.397) 5.787 4.571 ( -10.054 -2.957 -3.015) 10.905 6.509 ( 1.135 12.839 9.570) 16.054 6.536 ( -1.851 14.380 9.268) 17.208 7.186 ( 9.674 5.172 6.039) 12.522 7.346 ( -7.235 0.856 4.268) 8.443 8.168 ( 8.575 3.663 5.999) 11.087 8.383 ( -14.175 4.344 3.179) 15.163 8.844 ( 4.419 15.368 2.811) 16.236 8.917 ( -3.174 15.081 1.961) 15.536 9.059 ( 5.356 2.468 -3.831) 7.032 9.137 ( -2.803 1.759 -6.726) 7.496 9.843 ( 1.356 1.071 -10.554) 10.694 9.854 ( 0.035 0.026 -11.884) 11.885 10.228 ( 5.862 -13.075 -5.630) 15.395 10.328 ( -4.874 -12.503 -4.498) 14.153 10.578 ( 10.310 4.021 -0.791) 11.095 10.743 ( -3.778 7.784 -1.592) 8.798 10.856 ( 3.805 -3.113 -7.579) 9.034 10.958 ( -8.148 5.166 -3.309) 10.200 11.699 ( 7.468 -1.181 2.895) 8.096 11.907 ( -12.454 -0.178 3.727) 13.001 12.086 ( 2.797 8.277 -1.222) 8.822 12.157 ( -5.901 7.793 -2.625) 10.121 12.398 ( 10.419 18.672 -4.830) 21.921 12.565 ( -7.427 16.925 -0.831) 18.501 13.074 ( 4.229 6.540 -9.764) 12.490 13.132 ( -2.241 6.898 -16.439) 17.968 14.689 ( 4.686 3.192 2.938) 6.386 14.765 ( -3.211 4.061 1.701) 5.449 16.049 ( 8.518 -1.382 2.757) 9.059 16.200 ( -7.324 0.130 -1.927) 7.575 17.309 ( 0.058 -7.366 -7.902) 10.803 17.353 ( -4.249 -6.607 -9.049) 11.983 18.659 ( 2.837 -9.021 10.102) 13.837 18.699 ( -1.286 -9.305 9.300) 13.219 19.923 ( 3.221 -24.037 5.159) 24.795 19.983 ( -2.710 -23.213 3.625) 23.650 ======================= Grid point 240 (82/144) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 0.000 11.213 13.394) 17.468 2.137 ( 0.000 2.033 19.627) 19.732 2.469 ( 0.000 8.409 3.391) 9.067 2.949 ( 0.000 -1.285 -8.667) 8.762 3.171 ( 0.000 5.975 -4.850) 7.695 3.291 ( 0.000 13.613 -0.283) 13.616 3.791 ( 0.000 33.015 3.926) 33.248 3.974 ( 0.000 15.105 -4.670) 15.810 4.001 ( 0.000 14.912 -6.233) 16.162 4.172 ( 0.000 22.807 -4.784) 23.303 4.720 ( 0.000 5.230 0.403) 5.245 4.749 ( 0.000 2.992 0.897) 3.124 6.724 ( 0.000 11.577 12.848) 17.294 7.002 ( 0.000 19.737 9.814) 22.042 7.040 ( 0.000 5.349 13.730) 14.735 7.331 ( 0.000 -2.431 2.976) 3.842 8.261 ( 0.000 11.830 6.583) 13.538 8.689 ( 0.000 -9.597 6.220) 11.436 8.871 ( 0.000 -7.117 1.022) 7.190 9.018 ( 0.000 6.215 -10.843) 12.497 9.101 ( 0.000 7.475 -1.165) 7.565 9.431 ( 0.000 16.141 -13.048) 20.755 9.738 ( 0.000 -15.897 -5.826) 16.930 9.797 ( 0.000 -0.901 -11.851) 11.885 9.893 ( 0.000 3.365 -10.448) 10.977 10.293 ( 0.000 -0.703 -8.346) 8.375 10.462 ( 0.000 -1.525 -9.049) 9.176 10.599 ( 0.000 1.928 -4.065) 4.499 10.928 ( 0.000 9.021 4.598) 10.126 11.361 ( 0.000 0.790 -2.964) 3.068 11.616 ( 0.000 -6.279 9.056) 11.020 12.000 ( 0.000 -4.472 -2.208) 4.987 12.242 ( 0.000 6.977 3.424) 7.772 12.548 ( 0.000 19.129 -13.748) 23.557 12.709 ( 0.000 13.916 1.330) 13.979 12.753 ( 0.000 11.695 9.236) 14.902 13.257 ( 0.000 19.456 -1.638) 19.525 13.454 ( 0.000 15.438 -22.755) 27.498 14.604 ( 0.000 -0.421 4.510) 4.529 14.861 ( 0.000 1.153 -0.729) 1.364 15.808 ( 0.000 -2.940 6.055) 6.731 16.357 ( 0.000 2.429 -7.261) 7.656 17.194 ( 0.000 -11.151 -10.843) 15.554 17.317 ( 0.000 -8.786 -9.067) 12.626 18.399 ( 0.000 -10.121 12.092) 15.769 18.501 ( 0.000 -10.514 8.225) 13.349 19.327 ( 0.000 -25.343 12.325) 28.181 19.560 ( 0.000 -22.666 1.222) 22.699 ======================= Grid point 241 (83/144) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -0.295 10.060 12.735) 16.232 2.257 ( 7.829 3.481 15.997) 18.147 2.407 ( -4.777 8.154 3.747) 10.166 2.866 ( -8.532 4.043 -3.741) 10.155 3.195 ( 5.611 2.819 -5.175) 8.136 3.416 ( 8.293 12.084 -1.951) 14.785 3.819 ( 1.514 30.478 1.689) 30.563 3.873 ( -2.627 18.372 -3.870) 18.958 4.125 ( 4.136 9.114 -4.145) 10.833 4.173 ( 3.556 26.758 -4.484) 27.363 4.600 ( -10.547 4.421 0.859) 11.469 4.717 ( -5.394 4.393 -0.862) 7.010 6.733 ( 1.032 11.621 12.981) 17.454 6.895 ( -5.441 14.024 12.564) 19.599 7.183 ( 8.804 10.472 9.743) 16.796 7.355 ( 2.218 -1.787 3.166) 4.259 8.245 ( -0.755 11.489 5.161) 12.618 8.637 ( -6.292 -2.934 3.403) 7.731 8.856 ( -1.803 -7.111 -0.306) 7.342 8.921 ( -7.826 -5.652 -2.062) 9.871 9.168 ( 7.699 10.979 -2.222) 13.592 9.422 ( -0.997 15.277 -11.856) 19.363 9.791 ( 2.675 -6.381 -10.144) 12.279 9.858 ( 3.757 -5.037 -10.056) 11.858 9.911 ( 4.490 1.881 -8.048) 9.406 10.278 ( -3.651 -1.858 -10.657) 11.418 10.459 ( 4.317 0.217 -3.145) 5.346 10.692 ( 7.452 -0.368 -7.843) 10.825 10.926 ( -0.682 7.919 2.465) 8.322 11.271 ( -9.146 2.069 -4.634) 10.460 11.590 ( -0.799 -4.913 8.415) 9.776 12.005 ( -1.927 -4.823 0.702) 5.241 12.226 ( -0.471 7.983 2.734) 8.452 12.514 ( -11.231 11.012 1.139) 15.770 12.621 ( 6.618 20.090 -10.673) 23.692 12.878 ( 4.851 14.135 8.176) 17.034 13.263 ( 0.675 17.456 -3.768) 17.871 13.413 ( -4.156 14.303 -22.517) 26.997 14.639 ( 3.776 -0.022 4.208) 5.654 14.854 ( -1.065 0.833 0.272) 1.379 15.866 ( 6.322 -2.410 5.342) 8.620 16.326 ( -3.893 2.074 -5.556) 7.094 17.158 ( -2.745 -10.713 -9.018) 14.270 17.285 ( -3.503 -8.276 -9.828) 13.317 18.420 ( 2.060 -10.174 11.257) 15.312 18.504 ( 0.108 -10.782 8.491) 13.724 19.357 ( 3.210 -24.756 10.143) 26.945 19.550 ( -1.213 -23.107 1.770) 23.207 ======================= Grid point 242 (84/144) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 6.109 9.937 8.619) 14.504 2.212 ( -8.644 8.220 5.885) 13.302 2.493 ( 10.635 4.710 9.916) 15.285 2.688 ( -10.614 5.184 3.585) 12.345 3.338 ( 8.805 3.816 -5.455) 11.038 3.467 ( -3.754 7.405 -4.238) 9.321 3.839 ( 3.908 25.288 -2.226) 25.685 3.898 ( -0.140 28.839 -0.575) 28.845 4.160 ( 5.374 12.966 -0.540) 14.046 4.292 ( -0.135 20.939 0.781) 20.954 4.420 ( -1.910 1.074 -3.898) 4.471 4.567 ( -10.339 5.980 -3.246) 12.377 6.763 ( 2.301 12.164 13.159) 18.067 6.816 ( -3.553 13.181 13.073) 18.902 7.319 ( 5.834 7.891 6.397) 11.714 7.379 ( -0.557 2.202 4.164) 4.743 8.282 ( 5.885 8.772 2.829) 10.936 8.454 ( -11.972 4.624 0.945) 12.868 8.825 ( -0.058 -9.415 1.296) 9.504 8.847 ( -2.018 -9.699 3.290) 10.438 9.309 ( 6.607 11.753 -4.427) 14.191 9.391 ( -2.754 13.795 -8.593) 16.484 9.832 ( 2.042 -2.505 -9.735) 10.257 9.863 ( -1.159 -1.302 -10.052) 10.202 10.043 ( 7.581 -3.060 -6.563) 10.484 10.173 ( -6.872 -2.631 -7.899) 10.795 10.618 ( 11.105 -0.005 -3.547) 11.658 10.778 ( -2.851 -3.023 -5.397) 6.811 10.918 ( 4.065 6.790 -4.895) 9.306 11.076 ( -11.065 3.884 -6.738) 13.525 11.661 ( 9.211 -2.476 6.651) 11.628 11.872 ( -11.803 -3.385 4.454) 13.062 12.256 ( 3.437 8.823 1.354) 9.566 12.345 ( -6.810 10.656 0.409) 12.653 12.772 ( 8.757 18.214 -4.328) 20.668 12.892 ( -3.438 16.882 4.658) 17.847 13.283 ( 1.686 13.862 -9.664) 16.982 13.332 ( -3.944 12.479 -18.291) 22.491 14.726 ( 5.297 0.417 3.360) 6.287 14.812 ( -3.759 0.511 2.031) 4.302 16.022 ( 10.315 -1.131 3.186) 10.855 16.207 ( -9.119 0.622 -0.951) 9.190 17.141 ( 1.472 -9.145 -8.573) 12.621 17.204 ( -4.774 -8.019 -9.671) 13.440 18.462 ( 2.337 -10.471 9.960) 14.639 18.495 ( -1.196 -10.855 9.105) 14.219 19.432 ( 4.704 -24.019 6.143) 25.235 19.509 ( -3.439 -23.673 3.289) 24.146 ======================= Grid point 245 (85/144) ======================= q-point: ( 0.00 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.000 4.704 11.837) 12.738 2.295 ( 0.000 12.667 8.793) 15.420 2.612 ( 0.000 5.921 -0.195) 5.924 2.924 ( 0.000 -1.006 -12.102) 12.143 3.238 ( 0.000 1.569 -7.140) 7.310 3.409 ( 0.000 0.388 -2.879) 2.905 4.014 ( 0.000 -6.156 -0.951) 6.229 4.156 ( 0.000 -0.376 -4.652) 4.668 4.413 ( 0.000 28.709 1.983) 28.778 4.742 ( 0.000 29.036 -4.011) 29.312 4.971 ( 0.000 18.802 2.555) 18.974 5.017 ( 0.000 21.426 -2.101) 21.528 6.915 ( 0.000 7.045 13.393) 15.133 7.180 ( 0.000 9.308 10.582) 14.093 7.271 ( 0.000 2.840 3.301) 4.355 7.425 ( 0.000 15.369 7.067) 16.916 8.491 ( 0.000 -0.499 7.501) 7.518 8.602 ( 0.000 12.493 1.741) 12.613 8.710 ( 0.000 -6.245 4.371) 7.623 9.014 ( 0.000 -6.211 -10.830) 12.484 9.314 ( 0.000 13.952 -10.770) 17.625 9.458 ( 0.000 -10.073 -4.631) 11.087 9.638 ( 0.000 4.381 -10.510) 11.387 9.807 ( 0.000 1.368 -7.381) 7.506 9.965 ( 0.000 3.496 -8.434) 9.130 10.275 ( 0.000 -2.439 -12.568) 12.802 10.423 ( 0.000 -1.532 -4.069) 4.348 10.636 ( 0.000 1.347 -6.853) 6.985 11.065 ( 0.000 4.037 -0.504) 4.069 11.306 ( 0.000 -6.276 -7.184) 9.539 11.490 ( 0.000 -5.927 10.552) 12.103 11.841 ( 0.000 -10.865 0.447) 10.874 12.410 ( 0.000 9.908 7.089) 12.183 12.788 ( 0.000 9.660 -0.440) 9.670 13.020 ( 0.000 15.925 1.219) 15.972 13.112 ( 0.000 19.176 -0.219) 19.178 13.657 ( 0.000 19.823 -1.241) 19.862 13.738 ( 0.000 11.991 -15.188) 19.350 14.575 ( 0.000 -2.338 5.342) 5.832 14.852 ( 0.000 -1.426 0.252) 1.448 15.768 ( 0.000 -0.959 3.803) 3.922 16.419 ( 0.000 3.693 -7.188) 8.081 16.954 ( 0.000 -12.729 -8.946) 15.558 17.135 ( 0.000 -9.139 -6.977) 11.498 18.198 ( 0.000 -9.836 12.314) 15.760 18.280 ( 0.000 -11.203 8.597) 14.122 18.899 ( 0.000 -17.855 8.495) 19.773 19.118 ( 0.000 -21.277 -0.843) 21.294 ======================= Grid point 246 (86/144) ======================= q-point: ( 0.20 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 1.366 7.920 8.502) 11.699 2.366 ( 5.600 8.237 9.895) 14.040 2.553 ( -4.395 6.674 -0.708) 8.022 2.921 ( -4.096 1.895 -6.844) 8.198 3.191 ( 1.915 -1.858 -6.866) 7.367 3.519 ( 5.611 -0.003 -6.400) 8.512 3.967 ( -1.637 -4.341 -0.425) 4.659 4.194 ( 1.825 -2.676 -3.932) 5.094 4.445 ( 3.562 28.337 1.419) 28.595 4.741 ( -0.061 28.119 -4.340) 28.452 4.886 ( -7.550 22.086 2.168) 23.442 4.991 ( -3.652 20.920 -1.957) 21.326 6.927 ( 1.548 7.511 13.258) 15.316 7.133 ( -4.254 10.516 11.016) 15.812 7.324 ( 5.264 1.827 2.974) 6.316 7.463 ( 3.018 13.459 6.493) 15.245 8.483 ( -0.743 4.414 5.457) 7.058 8.596 ( 0.016 6.927 2.196) 7.267 8.715 ( -0.196 -4.277 4.262) 6.041 8.861 ( -13.462 -2.255 -9.117) 16.414 9.299 ( 4.201 3.328 -6.548) 8.462 9.608 ( -2.554 4.218 -8.754) 10.047 9.654 ( 11.696 -2.448 -7.472) 14.093 9.844 ( 2.623 1.343 -8.083) 8.603 9.981 ( 2.153 3.410 -8.005) 8.963 10.248 ( -3.491 -2.368 -12.233) 12.940 10.456 ( 5.133 -0.209 -2.966) 5.932 10.676 ( 3.556 -0.987 -7.826) 8.652 11.043 ( -2.597 3.055 -2.847) 4.917 11.226 ( -7.829 -6.184 -8.606) 13.176 11.495 ( 1.970 -4.718 9.280) 10.595 11.848 ( -1.068 -10.467 1.358) 10.608 12.412 ( 0.779 10.750 7.463) 13.110 12.738 ( -7.537 11.651 5.466) 14.914 12.967 ( 2.515 14.894 -6.503) 16.445 13.226 ( 5.926 18.646 4.416) 20.057 13.615 ( -4.058 15.766 -4.695) 16.943 13.692 ( -4.519 13.814 -13.644) 19.935 14.616 ( 4.174 -2.246 4.724) 6.692 14.840 ( -1.514 -1.742 1.020) 2.523 15.835 ( 7.227 -0.566 3.757) 8.165 16.377 ( -5.158 3.046 -4.586) 7.545 16.934 ( -0.843 -11.508 -8.446) 14.300 17.115 ( -2.515 -8.516 -8.313) 12.164 18.216 ( 1.838 -9.992 11.305) 15.199 18.283 ( 0.131 -11.045 8.564) 13.977 18.926 ( 2.876 -18.509 7.306) 20.106 19.104 ( -1.529 -21.302 -0.119) 21.357 ======================= Grid point 247 (87/144) ======================= q-point: ( 0.40 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 5.064 8.678 4.853) 11.158 2.366 ( -5.572 7.093 3.823) 9.796 2.591 ( 8.693 6.158 4.336) 11.502 2.772 ( -10.296 4.126 0.910) 11.129 3.323 ( 10.142 -3.635 -8.346) 13.628 3.496 ( -7.458 -2.778 -8.001) 11.285 4.037 ( 8.208 -2.969 -0.705) 8.757 4.171 ( -4.893 -3.667 -2.489) 6.601 4.540 ( 6.932 26.990 0.219) 27.867 4.685 ( -8.035 24.231 -1.614) 25.580 4.810 ( 2.273 27.191 -0.995) 27.304 4.897 ( -5.971 23.283 -2.461) 24.162 6.974 ( 3.545 8.655 12.760) 15.820 7.050 ( -4.641 9.949 11.908) 16.197 7.430 ( 5.487 3.666 3.151) 7.313 7.491 ( -0.740 8.583 4.757) 9.841 8.489 ( 2.302 8.607 1.559) 9.045 8.574 ( -5.146 7.375 1.026) 9.051 8.678 ( -2.046 -4.144 -0.710) 4.675 8.699 ( -2.287 -1.871 0.907) 3.091 9.421 ( 7.689 1.045 -4.668) 9.055 9.540 ( -5.090 2.318 -6.125) 8.294 9.803 ( 5.016 0.877 -7.623) 9.167 9.857 ( -1.263 1.557 -8.113) 8.357 10.053 ( 5.458 1.772 -7.663) 9.574 10.158 ( -5.814 -0.349 -9.171) 10.864 10.605 ( 9.604 -0.739 -3.985) 10.425 10.717 ( -1.014 -2.810 -5.997) 6.700 10.993 ( -0.733 0.401 -9.015) 9.053 11.071 ( -8.100 -4.118 -10.501) 13.887 11.592 ( 8.543 -4.888 6.185) 11.625 11.760 ( -8.401 -8.017 3.174) 12.038 12.459 ( 4.585 11.769 7.304) 14.591 12.577 ( -8.408 12.775 6.374) 16.569 13.095 ( 9.594 13.883 -3.095) 17.157 13.245 ( -4.823 17.250 4.145) 18.385 13.562 ( -0.127 12.418 -10.333) 16.156 13.607 ( -4.210 15.130 -10.095) 18.669 14.706 ( 5.307 -2.269 3.547) 6.775 14.792 ( -3.871 -2.192 2.346) 5.029 16.012 ( 11.671 0.195 3.153) 12.091 16.226 ( -11.088 1.307 0.457) 11.174 16.960 ( 3.679 -8.838 -9.149) 13.242 17.044 ( -4.958 -7.838 -9.351) 13.170 18.253 ( 1.923 -10.270 9.625) 14.206 18.278 ( -0.803 -10.651 8.733) 13.797 18.993 ( 4.087 -19.911 4.590) 20.838 19.061 ( -3.237 -20.989 1.835) 21.317 ======================= Grid point 250 (88/144) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 0.000 8.267 4.157) 9.253 2.538 ( 0.000 10.918 5.217) 12.100 2.706 ( 0.000 3.567 -2.631) 4.432 2.922 ( 0.000 1.401 -13.144) 13.219 3.250 ( 0.000 -0.049 -6.871) 6.871 3.362 ( 0.000 -4.357 -4.639) 6.364 3.831 ( 0.000 -11.061 -0.691) 11.083 4.051 ( 0.000 -8.623 -4.026) 9.517 4.929 ( 0.000 23.085 2.197) 23.190 5.258 ( 0.000 22.005 -1.347) 22.047 5.384 ( 0.000 20.385 2.411) 20.527 5.449 ( 0.000 20.326 -3.125) 20.565 7.036 ( 0.000 6.132 10.296) 11.984 7.308 ( 0.000 1.908 0.335) 1.937 7.373 ( 0.000 8.612 2.181) 8.883 7.697 ( 0.000 9.348 2.635) 9.712 8.473 ( 0.000 2.368 10.023) 10.299 8.638 ( 0.000 -1.592 1.242) 2.019 8.914 ( 0.000 -1.067 -5.591) 5.692 8.929 ( 0.000 15.229 -0.515) 15.238 9.321 ( 0.000 -2.800 -3.440) 4.435 9.599 ( 0.000 13.655 -9.892) 16.861 9.703 ( 0.000 3.289 -6.454) 7.244 9.824 ( 0.000 0.190 -5.934) 5.937 10.013 ( 0.000 0.941 -7.527) 7.585 10.180 ( 0.000 -6.648 -13.803) 15.320 10.427 ( 0.000 2.043 -2.938) 3.578 10.654 ( 0.000 0.800 -8.312) 8.350 11.088 ( 0.000 -1.175 -5.470) 5.595 11.136 ( 0.000 -9.793 -6.412) 11.705 11.371 ( 0.000 -6.477 4.566) 7.925 11.584 ( 0.000 -14.647 2.092) 14.795 12.628 ( 0.000 11.566 9.774) 15.143 12.981 ( 0.000 9.103 4.398) 10.109 13.308 ( 0.000 12.647 2.144) 12.828 13.451 ( 0.000 15.042 0.214) 15.044 13.901 ( 0.000 4.016 -7.168) 8.216 14.014 ( 0.000 15.133 -1.543) 15.211 14.520 ( 0.000 -2.698 6.337) 6.888 14.824 ( 0.000 -1.214 0.410) 1.281 15.775 ( 0.000 1.789 1.804) 2.541 16.497 ( 0.000 3.820 -6.280) 7.350 16.697 ( 0.000 -12.801 -5.898) 14.095 16.962 ( 0.000 -8.139 -3.626) 8.910 18.020 ( 0.000 -7.649 11.624) 13.915 18.076 ( 0.000 -8.801 6.767) 11.101 18.595 ( 0.000 -13.220 4.166) 13.861 18.725 ( 0.000 -17.959 -3.192) 18.240 ======================= Grid point 251 (89/144) ======================= q-point: ( 0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 2.408 8.001 3.393) 9.018 2.548 ( -0.186 8.339 3.867) 9.194 2.686 ( -0.211 7.016 -1.653) 7.211 2.949 ( 0.259 1.274 -10.161) 10.244 3.156 ( -2.820 -1.054 -5.360) 6.148 3.460 ( 3.129 -5.330 -8.888) 10.826 3.809 ( 0.407 -10.009 0.484) 10.029 4.061 ( 0.048 -9.412 -3.848) 10.168 4.959 ( 3.255 23.050 1.905) 23.356 5.245 ( -1.862 21.884 -1.541) 22.017 5.340 ( -3.750 21.354 2.125) 21.784 5.422 ( -2.925 20.457 -3.043) 20.888 7.056 ( 2.211 6.180 9.805) 11.799 7.276 ( -3.462 3.631 3.102) 5.898 7.416 ( 4.690 6.832 0.372) 8.295 7.690 ( -1.334 7.384 1.640) 7.681 8.500 ( 2.766 2.931 8.376) 9.295 8.653 ( 1.802 0.545 1.959) 2.717 8.820 ( -7.732 2.630 -2.862) 8.654 8.909 ( -3.161 12.284 -1.393) 12.760 9.328 ( 3.119 1.341 -4.802) 5.880 9.656 ( -3.856 1.752 -5.339) 6.814 9.729 ( 9.644 7.970 -7.751) 14.718 9.876 ( 3.587 1.952 -6.701) 7.847 10.027 ( 1.700 1.123 -7.584) 7.853 10.167 ( -1.322 -5.645 -12.213) 13.519 10.467 ( 4.952 1.621 -3.400) 6.222 10.664 ( 0.965 -0.057 -8.317) 8.373 11.038 ( -6.230 -5.475 -9.201) 12.387 11.073 ( -5.044 -5.839 -5.237) 9.325 11.383 ( 2.110 -6.903 3.531) 8.035 11.601 ( 0.271 -13.964 1.669) 14.066 12.645 ( 2.112 12.232 10.155) 16.038 12.974 ( -3.060 11.468 8.326) 14.498 13.219 ( -2.116 10.455 -2.558) 10.969 13.565 ( 6.486 15.116 4.860) 17.152 13.804 ( -7.794 4.214 -8.423) 12.225 13.994 ( -3.184 14.816 -3.162) 15.481 14.556 ( 3.734 -3.589 5.477) 7.539 14.801 ( -2.552 -2.040 1.034) 3.427 15.849 ( 7.833 2.079 2.249) 8.411 16.440 ( -7.010 3.075 -1.961) 7.902 16.708 ( 2.531 -11.080 -7.845) 13.810 16.952 ( -1.643 -7.876 -5.104) 9.528 18.035 ( 1.592 -7.753 10.412) 13.078 18.084 ( 0.618 -8.450 6.755) 10.836 18.606 ( 1.245 -14.054 3.702) 14.586 18.712 ( -1.331 -17.877 -2.352) 18.080 ======================= Grid point 252 (90/144) ======================= q-point: ( 0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 4.293 7.102 1.875) 8.508 2.497 ( -4.575 6.107 1.072) 7.705 2.746 ( 6.034 8.916 0.588) 10.782 2.870 ( -7.055 5.826 -2.369) 9.451 3.228 ( 8.540 -5.283 -8.951) 13.452 3.395 ( -8.455 -6.833 -9.458) 14.409 3.900 ( 7.830 -9.233 -1.132) 12.159 4.022 ( -4.697 -9.840 -3.022) 11.315 5.044 ( 6.007 22.818 1.254) 23.629 5.164 ( -6.671 22.145 0.246) 23.129 5.311 ( 1.017 22.089 -0.663) 22.122 5.358 ( -3.628 21.283 -2.506) 21.735 7.114 ( 4.141 5.982 8.365) 11.086 7.197 ( -4.800 5.219 6.092) 9.348 7.525 ( 6.693 4.874 -0.514) 8.296 7.634 ( -4.884 4.788 0.053) 6.840 8.563 ( 4.198 3.666 4.492) 7.158 8.653 ( -4.978 3.400 2.776) 6.637 8.742 ( 2.965 6.628 -0.512) 7.279 8.829 ( -5.242 10.273 -0.062) 11.533 9.434 ( 7.608 1.638 -3.695) 8.615 9.566 ( -6.295 1.290 -3.703) 7.416 9.859 ( 4.512 4.095 -7.568) 9.716 9.905 ( -0.654 3.137 -7.868) 8.496 10.076 ( 3.440 0.520 -7.276) 8.065 10.133 ( -2.522 -2.231 -8.747) 9.373 10.603 ( 8.323 0.664 -3.661) 9.117 10.679 ( -0.091 -0.672 -6.595) 6.630 10.927 ( -3.575 -7.559 -12.320) 14.889 10.964 ( -6.359 -4.541 -9.232) 12.095 11.456 ( 5.620 -8.780 2.073) 10.629 11.559 ( -4.838 -11.888 1.278) 12.898 12.714 ( 5.723 13.392 10.331) 17.856 12.848 ( -8.618 14.015 9.899) 19.201 13.310 ( 10.116 7.426 -1.281) 12.614 13.517 ( -11.004 8.808 3.537) 14.532 13.786 ( 5.781 11.048 -6.914) 14.258 13.903 ( -6.296 14.034 -4.107) 15.920 14.641 ( 5.332 -4.144 3.773) 7.736 14.734 ( -4.669 -3.459 2.276) 6.240 16.035 ( 12.056 2.234 2.864) 12.591 16.259 ( -12.082 2.066 2.049) 12.428 16.791 ( 5.831 -8.291 -8.356) 13.137 16.892 ( -4.835 -7.574 -7.071) 11.434 18.068 ( 1.720 -7.783 8.227) 11.455 18.088 ( -0.364 -7.929 6.975) 10.567 18.638 ( 2.178 -15.871 2.161) 16.165 18.679 ( -2.226 -17.321 -0.217) 17.464 ======================= Grid point 255 (91/144) ======================= q-point: ( 0.00 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 0.000 10.974 -1.913) 11.139 2.693 ( 0.000 4.365 -0.666) 4.415 2.755 ( 0.000 1.419 -3.862) 4.115 3.002 ( 0.000 5.698 -9.103) 10.739 3.250 ( 0.000 0.467 -5.244) 5.265 3.262 ( 0.000 -4.367 -7.219) 8.438 3.603 ( 0.000 -11.123 0.518) 11.135 3.843 ( 0.000 -11.813 -3.549) 12.335 5.331 ( 0.000 17.249 2.799) 17.474 5.596 ( 0.000 11.539 2.127) 11.734 5.736 ( 0.000 14.383 1.307) 14.442 5.789 ( 0.000 13.264 -3.969) 13.845 7.174 ( 0.000 7.597 3.113) 8.210 7.349 ( 0.000 2.171 -1.684) 2.747 7.495 ( 0.000 3.694 -4.198) 5.592 7.754 ( 0.000 -3.260 -6.845) 7.581 8.576 ( 0.000 6.653 10.160) 12.145 8.636 ( 0.000 1.596 -0.348) 1.633 9.009 ( 0.000 9.142 5.201) 10.518 9.132 ( 0.000 5.427 -0.887) 5.499 9.377 ( 0.000 7.647 -3.239) 8.305 9.802 ( 0.000 3.196 -9.802) 10.310 9.804 ( 0.000 7.100 -0.648) 7.129 9.822 ( 0.000 1.374 -5.394) 5.566 9.993 ( 0.000 -3.012 -7.418) 8.006 10.044 ( 0.000 -5.278 -10.081) 11.379 10.504 ( 0.000 5.500 -5.789) 7.985 10.679 ( 0.000 1.830 -9.861) 10.030 10.948 ( 0.000 -8.261 -4.505) 9.410 11.042 ( 0.000 -2.738 -8.391) 8.826 11.229 ( 0.000 -7.611 -1.410) 7.741 11.276 ( 0.000 -15.580 2.736) 15.819 12.854 ( 0.000 10.664 10.075) 14.671 13.119 ( 0.000 4.184 5.496) 6.907 13.524 ( 0.000 9.274 3.048) 9.762 13.724 ( 0.000 12.649 2.130) 12.827 13.909 ( 0.000 -2.543 0.104) 2.545 14.206 ( 0.000 2.398 -0.068) 2.399 14.514 ( 0.000 3.681 5.440) 6.569 14.799 ( 0.000 -1.689 0.170) 1.697 15.844 ( 0.000 5.351 0.238) 5.356 16.437 ( 0.000 -12.248 -6.277) 13.763 16.573 ( 0.000 2.660 -0.331) 2.680 16.813 ( 0.000 -6.738 0.072) 6.738 17.908 ( 0.000 -3.343 9.459) 10.032 17.944 ( 0.000 -4.304 3.571) 5.592 18.363 ( 0.000 -10.029 0.966) 10.075 18.412 ( 0.000 -13.082 -5.214) 14.083 ======================= Grid point 256 (92/144) ======================= q-point: ( 0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 1.143 10.225 -1.832) 10.450 2.671 ( -2.564 4.478 -1.777) 5.457 2.796 ( 4.613 2.258 -2.825) 5.862 3.004 ( 0.148 4.257 -9.152) 10.095 3.169 ( -3.466 3.056 -3.841) 6.009 3.329 ( 0.189 -6.724 -9.070) 11.292 3.601 ( 1.943 -10.317 1.210) 10.568 3.843 ( -0.690 -12.196 -3.504) 12.709 5.360 ( 3.136 17.166 2.499) 17.628 5.594 ( -0.534 12.531 1.350) 12.615 5.697 ( -3.652 14.203 1.407) 14.733 5.763 ( -2.747 13.146 -3.526) 13.885 7.190 ( 1.763 7.339 2.885) 8.081 7.336 ( -1.628 3.091 -1.287) 3.723 7.515 ( 2.321 2.445 -4.339) 5.495 7.725 ( -3.019 -3.407 -6.549) 7.976 8.608 ( 3.286 6.658 7.013) 10.213 8.693 ( 5.942 3.227 2.734) 7.294 8.942 ( -6.255 9.239 4.606) 12.070 9.095 ( -4.012 5.913 0.031) 7.146 9.412 ( 3.609 6.777 -3.794) 8.564 9.694 ( -5.488 2.067 -3.192) 6.677 9.847 ( 3.263 1.121 -8.965) 9.606 9.935 ( 4.234 2.783 0.557) 5.098 10.042 ( 2.393 -5.489 -11.676) 13.122 10.056 ( 5.173 3.807 -8.913) 10.985 10.525 ( 2.938 4.078 -5.435) 7.402 10.679 ( 0.231 1.432 -9.772) 9.879 10.871 ( -7.173 -7.696 -5.305) 11.782 11.007 ( -4.261 -2.707 -8.367) 9.772 11.216 ( 0.512 -10.046 -0.593) 10.076 11.315 ( 1.546 -13.739 0.170) 13.826 12.882 ( 3.205 11.143 10.215) 15.453 13.155 ( 2.997 5.575 7.440) 9.768 13.401 ( -8.382 8.561 1.862) 12.125 13.798 ( -8.127 1.194 8.967) 12.161 13.852 ( 7.276 8.327 -5.927) 12.546 14.225 ( -0.017 6.773 -1.999) 7.062 14.497 ( -0.360 -0.835 5.774) 5.845 14.756 ( -4.455 -2.769 0.572) 5.276 15.922 ( 8.025 5.387 0.986) 9.716 16.472 ( -1.607 -6.554 1.075) 6.833 16.514 ( -0.688 -1.776 -5.845) 6.147 16.801 ( -1.858 -7.240 -1.156) 7.563 17.924 ( 1.804 -3.066 7.742) 8.520 17.962 ( 1.578 -3.567 3.640) 5.335 18.358 ( -0.412 -10.859 0.954) 10.909 18.400 ( -1.281 -13.223 -4.273) 13.955 ======================= Grid point 257 (93/144) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 2.297 8.304 -1.900) 8.822 2.615 ( -3.233 5.948 -2.121) 7.094 2.901 ( 6.145 4.302 -2.822) 8.014 2.988 ( -2.805 4.450 -6.595) 8.436 3.154 ( 2.669 0.378 -4.951) 5.637 3.252 ( -6.738 -5.995 -7.809) 11.930 3.694 ( 6.772 -11.096 -1.259) 13.060 3.800 ( -4.280 -12.208 -2.936) 13.266 5.440 ( 5.515 16.834 1.792) 17.805 5.545 ( -5.285 15.827 0.931) 16.712 5.661 ( 0.777 12.549 0.300) 12.576 5.704 ( -3.336 12.841 -2.110) 13.434 7.234 ( 3.014 6.453 1.904) 7.373 7.291 ( -3.081 4.933 0.211) 5.820 7.576 ( 4.169 -0.292 -5.100) 6.594 7.656 ( -4.376 -2.624 -5.922) 7.817 8.688 ( 5.344 7.941 4.733) 10.678 8.783 ( -2.416 8.357 5.287) 10.180 8.865 ( 4.021 5.694 2.941) 7.566 8.993 ( -7.067 5.833 2.197) 9.423 9.497 ( 5.582 4.430 -3.662) 8.013 9.599 ( -5.420 2.270 -3.175) 6.679 9.896 ( 2.490 -2.514 -6.921) 7.773 9.942 ( -2.172 -2.496 -4.771) 5.806 10.111 ( 4.396 4.393 -7.598) 9.816 10.144 ( 1.692 6.916 -8.900) 11.397 10.621 ( 6.419 0.003 -3.484) 7.304 10.702 ( 0.710 3.281 -6.430) 7.254 10.754 ( -1.701 -8.958 -10.342) 13.788 10.883 ( -9.072 -2.759 -10.015) 13.792 11.251 ( 3.024 -11.489 -1.345) 11.956 11.306 ( -2.358 -12.881 -1.276) 13.157 12.973 ( 6.861 12.161 10.196) 17.289 13.116 ( -7.847 12.461 10.311) 17.977 13.390 ( 8.125 0.840 1.380) 8.284 13.590 ( -12.442 -0.687 3.621) 12.976 14.012 ( 8.817 11.180 -1.235) 14.292 14.158 ( -6.859 11.428 -2.034) 13.483 14.544 ( 5.192 -5.590 3.863) 8.551 14.654 ( -6.351 -4.732 1.735) 8.108 16.105 ( 11.463 4.947 2.348) 12.704 16.313 ( -11.098 3.597 3.093) 12.069 16.618 ( 7.163 -9.313 -5.242) 12.866 16.735 ( -5.399 -8.309 -3.084) 10.378 17.963 ( 2.035 -2.351 5.000) 5.888 17.982 ( 0.169 -2.375 3.553) 4.277 18.355 ( 0.333 -12.581 0.269) 12.588 18.373 ( -1.494 -13.374 -1.910) 13.592 ======================= Grid point 260 (94/144) ======================= q-point: ( 0.00 0.47 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 0.000 1.431 -4.419) 4.645 2.751 ( 0.000 8.140 -4.894) 9.498 2.768 ( 0.000 3.432 -5.887) 6.814 2.977 ( 0.000 -8.804 -7.787) 11.753 3.285 ( 0.000 3.333 -2.973) 4.467 3.318 ( 0.000 7.733 -7.999) 11.125 3.422 ( 0.000 -4.648 2.764) 5.408 3.593 ( 0.000 -12.937 -3.111) 13.305 5.606 ( 0.000 9.978 3.598) 10.607 5.710 ( 0.000 -0.025 3.824) 3.824 5.941 ( 0.000 5.901 -0.692) 5.941 5.962 ( 0.000 3.874 -2.911) 4.846 7.322 ( 0.000 6.469 -3.392) 7.304 7.382 ( 0.000 0.426 -3.883) 3.906 7.541 ( 0.000 1.996 -7.263) 7.532 7.631 ( 0.000 -7.046 -9.928) 12.175 8.680 ( 0.000 2.736 6.168) 6.747 8.681 ( 0.000 1.971 2.216) 2.966 9.182 ( 0.000 5.923 9.247) 10.982 9.209 ( 0.000 2.367 5.071) 5.596 9.554 ( 0.000 9.540 -7.285) 12.003 9.745 ( 0.000 -8.918 -9.428) 12.978 9.817 ( 0.000 1.984 -9.532) 9.737 9.900 ( 0.000 -5.326 -4.797) 7.168 9.957 ( 0.000 6.491 -0.436) 6.506 10.024 ( 0.000 0.043 -0.424) 0.426 10.625 ( 0.000 5.874 -9.569) 11.228 10.704 ( 0.000 -1.045 -13.293) 13.334 10.856 ( 0.000 0.995 0.480) 1.105 10.992 ( 0.000 -9.922 -1.139) 9.987 11.015 ( 0.000 -1.160 -5.952) 6.064 11.084 ( 0.000 -6.259 -5.959) 8.642 13.038 ( 0.000 7.480 8.626) 11.418 13.138 ( 0.000 -2.268 6.677) 7.052 13.688 ( 0.000 7.351 3.100) 7.977 13.819 ( 0.000 -5.709 0.586) 5.739 13.959 ( 0.000 10.469 6.587) 12.369 14.138 ( 0.000 -7.157 4.235) 8.316 14.636 ( 0.000 6.649 1.793) 6.887 14.744 ( 0.000 -4.003 0.511) 4.035 15.989 ( 0.000 9.066 -1.250) 9.152 16.197 ( 0.000 -11.537 -3.110) 11.949 16.625 ( 0.000 2.825 1.720) 3.307 16.698 ( 0.000 -4.709 2.279) 5.232 17.884 ( 0.000 0.377 6.115) 6.127 17.897 ( 0.000 -0.950 2.794) 2.951 18.211 ( 0.000 -4.381 -2.214) 4.909 18.221 ( 0.000 -5.546 -5.395) 7.737 ======================= Grid point 261 (95/144) ======================= q-point: ( 0.20 0.47 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -0.296 5.220 -3.922) 6.536 2.762 ( -0.523 6.691 -6.237) 9.162 2.793 ( 3.261 0.596 -5.777) 6.660 2.975 ( -0.625 -8.343 -8.038) 11.602 3.283 ( -0.719 3.103 -3.635) 4.833 3.316 ( -0.165 9.851 -5.249) 11.163 3.419 ( 0.752 -6.399 1.679) 6.658 3.586 ( -1.038 -13.192 -3.077) 13.586 5.632 ( 2.739 9.666 3.096) 10.513 5.726 ( 1.706 0.671 3.077) 3.582 5.901 ( -4.084 6.154 -0.435) 7.399 5.930 ( -3.337 3.463 -2.399) 5.374 7.337 ( 1.584 6.716 -3.483) 7.730 7.394 ( 1.042 1.682 -4.131) 4.581 7.529 ( -1.118 0.303 -6.914) 7.010 7.605 ( -2.560 -6.873 -9.127) 11.708 8.719 ( 4.722 3.894 3.894) 7.254 8.749 ( 6.468 1.144 4.645) 8.045 9.116 ( -6.286 6.644 7.385) 11.756 9.170 ( -4.519 1.249 5.397) 7.149 9.567 ( 1.606 8.553 -6.216) 10.695 9.721 ( -2.183 -2.881 -5.223) 6.352 9.780 ( -1.640 -1.507 -8.469) 8.757 9.871 ( -2.411 -6.610 -4.266) 8.228 10.082 ( 10.305 5.939 -3.048) 12.279 10.138 ( 10.507 1.502 -4.088) 11.374 10.610 ( -2.047 3.761 -8.650) 9.652 10.676 ( -3.297 -2.836 -11.851) 12.623 10.818 ( -2.713 4.120 -0.945) 5.023 10.983 ( -0.412 -7.416 -4.264) 8.564 10.992 ( -2.285 -2.103 -4.900) 5.801 11.097 ( 0.142 -8.302 -5.354) 9.880 13.075 ( 4.117 7.903 8.613) 12.393 13.182 ( 4.878 -2.482 6.889) 8.799 13.570 ( -10.182 8.226 4.475) 13.834 13.717 ( -9.649 -6.248 3.883) 12.133 14.057 ( 8.380 9.624 3.476) 13.226 14.217 ( 7.024 -5.871 2.628) 9.524 14.568 ( -6.883 6.205 1.751) 9.432 14.682 ( -6.340 -4.779 0.521) 7.956 16.064 ( 7.690 8.802 -0.420) 11.695 16.263 ( 6.727 -10.822 -2.236) 12.937 16.566 ( -6.064 3.941 2.011) 7.506 16.667 ( -3.683 -6.099 1.717) 7.329 17.912 ( 3.009 1.189 4.399) 5.461 17.931 ( 3.308 -0.404 2.457) 4.140 18.189 ( -2.284 -5.033 -2.063) 5.899 18.202 ( -2.080 -6.105 -4.247) 7.722 ======================= Grid point 262 (96/144) ======================= q-point: ( 0.40 0.47 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 0.749 7.031 -4.601) 8.436 2.750 ( -0.907 8.921 -5.803) 10.681 2.864 ( 4.445 -5.549 -6.963) 9.952 2.940 ( -3.423 -8.301 -8.035) 12.049 3.274 ( 0.380 7.752 -2.354) 8.111 3.297 ( -1.742 11.319 -2.483) 11.719 3.471 ( 4.344 -10.961 -1.291) 11.861 3.546 ( -3.439 -12.937 -2.650) 13.646 5.702 ( 4.821 8.959 1.825) 10.337 5.766 ( 1.535 4.315 1.069) 4.703 5.815 ( -3.756 4.676 0.624) 6.030 5.856 ( -4.413 2.373 -0.897) 5.090 7.374 ( 2.206 7.211 -3.936) 8.506 7.403 ( -0.574 5.948 -4.384) 7.412 7.519 ( 0.627 -4.736 -6.659) 8.195 7.553 ( -2.812 -6.665 -7.597) 10.489 8.834 ( 7.522 5.841 4.292) 10.446 8.892 ( 8.469 0.727 5.328) 10.032 8.983 ( -7.641 6.198 5.267) 11.160 9.054 ( -7.949 -0.173 5.285) 9.547 9.612 ( 3.262 7.226 -4.985) 9.365 9.674 ( -3.177 5.392 -4.305) 7.596 9.778 ( 1.452 -7.711 -6.062) 9.915 9.821 ( -2.916 -7.686 -4.712) 9.475 10.271 ( 9.312 9.265 -5.624) 14.289 10.319 ( 6.497 7.393 -6.499) 11.794 10.550 ( -3.066 -5.606 -6.098) 8.832 10.589 ( -5.508 -7.306 -7.260) 11.680 10.817 ( 3.070 7.987 -5.858) 10.370 10.907 ( -5.834 5.377 -8.039) 11.295 11.014 ( 2.816 -11.556 -3.607) 12.429 11.071 ( -2.815 -10.388 -5.021) 11.876 13.186 ( 8.115 9.016 8.346) 14.724 13.301 ( 5.279 1.244 8.242) 9.866 13.386 ( -6.750 3.646 5.080) 9.201 13.519 ( -11.461 -6.001 5.595) 14.095 14.219 ( 9.209 9.392 1.526) 13.242 14.337 ( 2.314 3.163 -0.155) 3.922 14.439 ( -3.167 -1.672 2.928) 4.626 14.542 ( -8.438 -6.510 1.051) 10.709 16.234 ( 10.332 7.998 1.207) 13.122 16.393 ( 0.828 -0.873 1.812) 2.175 16.440 ( -1.397 -2.725 -0.478) 3.099 16.566 ( -7.225 -8.341 0.589) 11.051 17.977 ( 3.478 3.303 1.639) 5.069 17.992 ( 2.373 2.739 0.733) 3.697 18.143 ( -1.994 -7.988 -0.989) 8.292 18.154 ( -2.692 -8.213 -1.993) 8.870 ======================= Grid point 300 (97/144) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.000 0.000 12.052) 12.052 1.909 ( 0.000 0.000 1.639) 1.639 2.173 ( 0.000 0.000 18.382) 18.382 2.297 ( 0.000 0.000 10.205) 10.205 2.507 ( 0.000 0.000 2.137) 2.137 2.624 ( 0.000 0.000 -3.570) 3.570 3.120 ( 0.000 0.000 3.179) 3.179 3.178 ( 0.000 0.000 7.000) 7.000 3.501 ( 0.000 0.000 -3.553) 3.553 3.635 ( 0.000 0.000 -10.881) 10.881 4.858 ( 0.000 0.000 3.930) 3.930 5.060 ( 0.000 0.000 -0.634) 0.634 6.200 ( 0.000 0.000 1.855) 1.855 6.223 ( 0.000 0.000 0.879) 0.879 7.050 ( 0.000 0.000 14.705) 14.705 7.683 ( 0.000 0.000 -12.284) 12.284 7.818 ( 0.000 0.000 3.537) 3.537 7.933 ( 0.000 0.000 -2.225) 2.225 8.615 ( 0.000 0.000 13.669) 13.669 8.761 ( 0.000 0.000 2.847) 2.847 8.902 ( 0.000 0.000 4.122) 4.122 8.914 ( 0.000 0.000 3.540) 3.540 9.939 ( 0.000 0.000 -7.562) 7.562 9.970 ( 0.000 0.000 -8.807) 8.807 10.127 ( 0.000 0.000 -0.210) 0.210 10.140 ( 0.000 0.000 -6.190) 6.190 10.380 ( 0.000 0.000 -3.316) 3.316 10.396 ( 0.000 0.000 -9.420) 9.420 10.861 ( 0.000 0.000 5.223) 5.223 11.283 ( 0.000 0.000 -11.277) 11.277 11.498 ( 0.000 0.000 3.326) 3.326 11.619 ( 0.000 0.000 -2.883) 2.883 11.997 ( 0.000 0.000 3.893) 3.893 12.056 ( 0.000 0.000 0.782) 0.782 12.354 ( 0.000 0.000 0.507) 0.507 12.478 ( 0.000 0.000 -3.590) 3.590 12.656 ( 0.000 0.000 -0.185) 0.185 12.704 ( 0.000 0.000 -6.182) 6.182 14.554 ( 0.000 0.000 1.285) 1.285 14.574 ( 0.000 0.000 0.340) 0.340 16.093 ( 0.000 0.000 6.028) 6.028 16.231 ( 0.000 0.000 -2.166) 2.166 17.358 ( 0.000 0.000 -6.860) 6.860 17.425 ( 0.000 0.000 -8.806) 8.806 18.946 ( 0.000 0.000 6.184) 6.184 18.988 ( 0.000 0.000 3.874) 3.874 20.518 ( 0.000 0.000 3.048) 3.048 20.638 ( 0.000 0.000 -3.667) 3.667 ======================= Grid point 301 (98/144) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 1.933 0.000 11.177) 11.343 1.893 ( -1.748 0.000 2.822) 3.320 2.160 ( -0.803 0.000 18.044) 18.062 2.286 ( -1.516 0.000 10.358) 10.468 2.518 ( 1.202 0.000 1.355) 1.812 2.613 ( -1.188 0.000 -3.200) 3.413 2.969 ( -9.527 0.000 -0.787) 9.560 3.085 ( -7.971 0.000 -0.400) 7.981 3.738 ( 19.526 0.000 -0.545) 19.533 3.815 ( 16.701 0.000 -1.814) 16.799 4.772 ( -9.198 0.000 2.437) 9.515 4.940 ( -12.614 0.000 -0.147) 12.614 6.202 ( 0.232 0.000 1.766) 1.782 6.221 ( -0.232 0.000 0.977) 1.004 7.101 ( 5.368 0.000 12.705) 13.793 7.590 ( -8.980 0.000 -7.759) 11.868 7.829 ( 1.128 0.000 3.016) 3.220 7.922 ( -1.228 0.000 -1.640) 2.049 8.646 ( 3.917 0.000 11.272) 11.934 8.826 ( 4.169 0.000 0.499) 4.199 8.904 ( 0.155 0.000 4.039) 4.042 8.913 ( -0.081 0.000 3.573) 3.574 9.942 ( 0.329 0.000 -7.670) 7.677 9.968 ( -0.305 0.000 -8.678) 8.683 10.009 ( -1.190 0.000 3.685) 3.872 10.307 ( -1.547 0.000 -5.373) 5.591 10.405 ( 10.264 0.000 -7.825) 12.907 10.422 ( 2.998 0.000 -9.451) 9.915 10.951 ( 9.034 0.000 3.841) 9.817 11.266 ( -1.337 0.000 -9.099) 9.197 11.508 ( 1.122 0.000 2.813) 3.028 11.606 ( -1.395 0.000 -2.145) 2.559 12.005 ( 0.749 0.000 3.431) 3.512 12.051 ( -0.473 0.000 0.979) 1.088 12.136 ( -17.187 0.000 0.356) 17.191 12.253 ( -17.632 0.000 -5.919) 18.599 12.793 ( 9.343 0.000 -0.363) 9.350 12.845 ( 8.472 0.000 -3.970) 9.356 14.565 ( 1.671 0.000 1.829) 2.478 14.607 ( 2.478 0.000 -0.188) 2.485 16.088 ( -0.148 0.000 4.627) 4.629 16.212 ( -2.119 0.000 -2.289) 3.119 17.348 ( -0.907 0.000 -6.000) 6.068 17.403 ( -2.182 0.000 -7.628) 7.934 18.970 ( 2.638 0.000 6.518) 7.032 19.021 ( 2.799 0.000 4.062) 4.933 20.499 ( -1.447 0.000 2.533) 2.917 20.612 ( -2.868 0.000 -3.483) 4.512 ======================= Grid point 302 (99/144) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 3.030 0.000 8.813) 9.319 1.850 ( -2.917 0.000 5.664) 6.371 2.169 ( 2.218 0.000 15.808) 15.963 2.233 ( -4.069 0.000 12.297) 12.953 2.547 ( 1.941 0.000 -0.393) 1.980 2.583 ( -1.932 0.000 -2.095) 2.850 2.879 ( 0.001 0.000 -3.970) 3.970 2.947 ( -6.516 0.000 -5.189) 8.330 4.091 ( 17.461 0.000 3.974) 17.908 4.140 ( 15.547 0.000 7.144) 17.110 4.563 ( -10.836 0.000 -2.733) 11.176 4.653 ( -16.976 0.000 -1.208) 17.019 6.208 ( 0.375 0.000 1.530) 1.576 6.215 ( -0.375 0.000 1.229) 1.285 7.231 ( 8.749 0.000 7.492) 11.518 7.407 ( -10.411 0.000 0.267) 10.415 7.857 ( 1.872 0.000 1.626) 2.479 7.892 ( -1.933 0.000 -0.149) 1.939 8.745 ( 6.255 0.000 5.953) 8.635 8.838 ( -3.034 0.000 0.956) 3.181 8.907 ( 0.210 0.000 3.854) 3.860 8.911 ( -0.165 0.000 3.678) 3.682 9.950 ( 0.522 0.000 -7.964) 7.981 9.960 ( -0.507 0.000 -8.349) 8.365 10.079 ( 7.324 0.000 4.102) 8.395 10.214 ( -6.769 0.000 -0.103) 6.769 10.499 ( 5.105 0.000 -11.220) 12.327 10.549 ( 1.958 0.000 -12.302) 12.457 11.141 ( 10.442 0.000 0.807) 10.473 11.252 ( -1.250 0.000 -4.372) 4.547 11.536 ( 1.914 0.000 1.425) 2.386 11.573 ( -2.074 0.000 -0.432) 2.119 11.878 ( -7.732 0.000 -1.918) 7.967 11.949 ( -13.724 0.000 -6.330) 15.113 12.021 ( 1.027 0.000 2.460) 2.666 12.039 ( -0.865 0.000 1.559) 1.783 12.921 ( 4.408 0.000 -0.995) 4.519 12.943 ( 2.106 0.000 -2.271) 3.097 14.607 ( 2.443 0.000 1.615) 2.928 14.633 ( -0.022 0.000 0.375) 0.376 16.104 ( 2.108 0.000 1.185) 2.418 16.159 ( -3.482 0.000 -1.646) 3.851 17.339 ( 0.270 0.000 -4.865) 4.872 17.361 ( -2.062 0.000 -5.512) 5.885 19.027 ( 2.992 0.000 6.507) 7.162 19.055 ( 0.299 0.000 5.285) 5.293 20.493 ( 1.299 0.000 0.406) 1.361 20.545 ( -3.964 0.000 -2.217) 4.542 ======================= Grid point 305 (100/144) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.000 24.689 12.711) 27.769 2.165 ( 0.000 0.417 17.368) 17.373 2.218 ( 0.000 27.350 1.498) 27.391 2.328 ( 0.000 3.022 8.786) 9.292 2.664 ( 0.000 14.078 1.474) 14.155 2.805 ( 0.000 14.407 -4.776) 15.178 3.116 ( 0.000 1.709 3.396) 3.801 3.184 ( 0.000 1.146 8.302) 8.380 3.471 ( 0.000 -1.121 -5.438) 5.553 3.649 ( 0.000 1.684 -11.524) 11.646 4.831 ( 0.000 -2.536 2.826) 3.797 4.973 ( 0.000 -7.570 -0.285) 7.575 6.359 ( 0.000 12.687 3.107) 13.062 6.363 ( 0.000 15.012 2.929) 15.295 7.075 ( 0.000 2.593 14.060) 14.297 7.588 ( 0.000 -6.347 -6.678) 9.213 8.066 ( 0.000 20.110 -0.059) 20.110 8.176 ( 0.000 18.703 -6.209) 19.707 8.545 ( 0.000 -1.033 11.231) 11.279 8.683 ( 0.000 0.405 0.516) 0.656 9.040 ( 0.000 8.158 8.991) 12.141 9.152 ( 0.000 14.408 5.461) 15.408 9.724 ( 0.000 -12.948 -9.158) 15.860 9.724 ( 0.000 -14.387 -8.571) 16.747 10.106 ( 0.000 -4.143 -6.832) 7.990 10.241 ( 0.000 0.081 -11.916) 11.916 10.425 ( 0.000 2.322 0.500) 2.375 10.610 ( 0.000 11.433 -5.311) 12.606 10.771 ( 0.000 -3.636 5.074) 6.242 11.006 ( 0.000 -11.173 -4.401) 12.008 11.726 ( 0.000 11.209 1.233) 11.277 11.741 ( 0.000 9.953 -2.195) 10.192 12.017 ( 0.000 2.172 4.335) 4.848 12.073 ( 0.000 2.083 0.451) 2.131 12.427 ( 0.000 8.060 -3.906) 8.956 12.482 ( 0.000 0.508 -3.111) 3.152 12.703 ( 0.000 5.069 -0.922) 5.152 12.707 ( 0.000 0.462 -5.591) 5.610 14.590 ( 0.000 3.231 2.062) 3.833 14.642 ( 0.000 5.906 -0.487) 5.926 16.073 ( 0.000 -2.005 6.369) 6.677 16.229 ( 0.000 -0.138 -2.606) 2.609 17.319 ( 0.000 -3.897 -6.767) 7.809 17.390 ( 0.000 -3.550 -8.827) 9.514 18.896 ( 0.000 -4.905 6.235) 7.933 18.937 ( 0.000 -4.963 3.886) 6.303 20.385 ( 0.000 -12.961 2.509) 13.201 20.460 ( 0.000 -17.068 -1.238) 17.113 ======================= Grid point 306 (101/144) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 1.290 23.564 12.070) 26.507 2.146 ( -1.592 3.140 14.992) 15.400 2.179 ( -2.933 19.848 5.515) 20.808 2.323 ( -2.029 6.069 7.180) 9.618 2.681 ( 2.203 14.234 0.873) 14.430 2.800 ( -0.495 15.020 -4.082) 15.573 2.996 ( -7.475 5.244 0.014) 9.131 3.110 ( -6.608 3.561 0.268) 7.511 3.695 ( 18.804 -3.407 -0.716) 19.124 3.805 ( 14.851 -0.282 -4.017) 15.387 4.743 ( -9.305 -2.753 1.727) 9.857 4.862 ( -11.631 -6.676 -0.143) 13.412 6.358 ( -0.120 13.149 3.115) 13.513 6.361 ( -0.187 14.296 3.140) 14.638 7.120 ( 4.688 2.082 11.623) 12.704 7.526 ( -6.537 -4.237 -5.628) 9.611 8.057 ( 0.455 16.291 2.332) 16.463 8.180 ( -0.269 23.671 -2.172) 23.772 8.596 ( 4.030 0.155 6.685) 7.807 8.682 ( 0.129 -3.995 0.474) 4.025 9.049 ( 0.911 8.342 7.566) 11.299 9.148 ( -0.897 12.716 4.411) 13.489 9.713 ( -0.044 -12.559 -7.827) 14.798 9.731 ( 0.324 -13.168 -9.557) 16.274 10.122 ( 4.109 -0.200 -3.830) 5.621 10.355 ( 8.001 -4.672 -14.007) 16.794 10.446 ( 2.328 3.855 0.435) 4.524 10.563 ( -3.754 11.560 -4.140) 12.840 10.831 ( 5.343 -7.124 2.929) 9.374 10.998 ( -0.727 -12.058 -3.794) 12.662 11.697 ( -1.760 8.941 2.099) 9.351 11.774 ( 2.547 12.934 -2.233) 13.370 12.011 ( -0.686 1.633 4.243) 4.598 12.072 ( -0.198 2.427 0.684) 2.529 12.243 ( -16.111 5.854 -1.785) 17.234 12.280 ( -13.833 7.452 -8.360) 17.798 12.817 ( 8.061 2.793 -0.896) 8.578 12.844 ( 8.309 0.189 -3.635) 9.072 14.608 ( 2.008 3.662 2.340) 4.787 14.668 ( 2.103 5.447 -0.575) 5.867 16.075 ( 0.505 -1.348 4.960) 5.165 16.211 ( -2.009 -0.030 -2.581) 3.271 17.308 ( -0.998 -3.987 -5.953) 7.234 17.366 ( -2.329 -3.693 -7.706) 8.857 18.918 ( 2.419 -5.090 6.525) 8.622 18.967 ( 2.540 -5.262 4.105) 7.141 20.362 ( -1.722 -13.441 2.353) 13.754 20.445 ( -1.898 -15.917 -1.688) 16.118 ======================= Grid point 307 (102/144) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 2.088 19.858 10.532) 22.574 2.106 ( -2.832 17.468 8.053) 19.443 2.168 ( 2.323 5.003 11.834) 13.057 2.245 ( -5.474 5.110 8.484) 11.316 2.743 ( 3.847 17.395 -0.344) 17.819 2.788 ( -1.110 17.649 -2.234) 17.825 2.923 ( -0.219 5.999 -3.436) 6.916 2.987 ( -6.272 4.893 -4.737) 9.258 4.040 ( 17.080 -4.848 4.027) 18.206 4.095 ( 13.577 -3.261 4.087) 14.549 4.535 ( -10.755 -2.940 -2.154) 11.356 4.599 ( -15.183 -4.382 -1.649) 15.889 6.357 ( -0.013 13.575 3.236) 13.956 6.358 ( -0.121 13.558 3.260) 13.945 7.232 ( 7.479 0.657 5.960) 9.586 7.381 ( -8.677 -1.371 -0.603) 8.806 8.096 ( 3.317 18.528 3.730) 19.188 8.154 ( -2.583 23.572 1.914) 23.790 8.655 ( 2.441 -1.656 2.267) 3.720 8.683 ( -0.564 -6.287 0.329) 6.321 9.072 ( 1.753 8.894 5.739) 10.729 9.113 ( -2.574 10.037 4.260) 11.203 9.725 ( 0.905 -12.047 -9.109) 15.130 9.734 ( -0.050 -12.599 -9.837) 15.984 10.259 ( 9.671 4.504 -0.443) 10.678 10.404 ( -4.500 2.289 -2.315) 5.555 10.483 ( 2.642 5.209 -8.109) 9.994 10.527 ( -0.941 0.380 -7.443) 7.512 10.931 ( 4.927 -12.732 0.567) 13.664 10.985 ( -1.133 -14.432 -1.696) 14.575 11.705 ( 4.418 6.905 2.553) 8.586 11.819 ( -0.301 16.526 -0.436) 16.535 11.955 ( -10.445 2.469 -5.045) 11.859 11.974 ( -4.373 6.433 -1.442) 7.911 12.071 ( 0.006 3.904 0.480) 3.933 12.100 ( -4.817 10.570 -4.337) 12.399 12.928 ( 3.735 1.008 -1.187) 4.046 12.942 ( 2.306 0.202 -2.175) 3.176 14.655 ( 2.778 4.232 1.938) 5.420 14.688 ( -0.386 4.815 0.418) 4.848 16.102 ( 2.567 -0.237 1.436) 2.951 16.160 ( -3.446 0.150 -1.618) 3.810 17.298 ( 0.245 -4.115 -4.921) 6.419 17.321 ( -2.205 -3.993 -5.638) 7.252 18.970 ( 2.785 -5.516 6.495) 8.965 18.997 ( 0.200 -5.637 5.316) 7.751 20.351 ( 1.004 -13.757 0.700) 13.812 20.394 ( -3.229 -14.489 -1.314) 14.902 ======================= Grid point 310 (103/144) ======================= q-point: ( 0.00 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.000 3.393 15.521) 15.887 2.408 ( 0.000 4.732 5.700) 7.408 2.464 ( 0.000 13.495 17.682) 22.243 2.823 ( 0.000 24.107 -1.139) 24.134 2.932 ( 0.000 3.231 -1.699) 3.650 2.946 ( 0.000 10.910 -2.019) 11.095 3.312 ( 0.000 16.018 4.476) 16.631 3.393 ( 0.000 23.880 -2.898) 24.055 3.576 ( 0.000 13.709 -4.716) 14.498 3.737 ( 0.000 8.981 -10.595) 13.890 4.771 ( 0.000 -2.880 1.040) 3.062 4.810 ( 0.000 -7.653 0.616) 7.678 6.667 ( 0.000 16.554 8.131) 18.443 6.737 ( 0.000 21.202 4.871) 21.755 7.157 ( 0.000 5.618 11.990) 13.241 7.465 ( 0.000 -5.740 -1.244) 5.873 8.288 ( 0.000 2.627 5.038) 5.681 8.484 ( 0.000 10.696 -11.517) 15.717 8.791 ( 0.000 18.900 -2.571) 19.074 8.868 ( 0.000 15.132 0.093) 15.132 9.078 ( 0.000 -2.059 14.079) 14.229 9.244 ( 0.000 -7.490 7.189) 10.382 9.586 ( 0.000 1.639 -10.550) 10.676 9.609 ( 0.000 1.824 -11.524) 11.667 9.934 ( 0.000 -13.129 -6.001) 14.436 10.117 ( 0.000 -8.549 -16.236) 18.349 10.419 ( 0.000 -1.366 2.779) 3.096 10.569 ( 0.000 -6.244 -3.244) 7.036 10.852 ( 0.000 8.784 5.621) 10.429 11.109 ( 0.000 11.246 -8.271) 13.959 11.863 ( 0.000 1.984 6.928) 7.207 11.928 ( 0.000 7.011 -0.642) 7.040 12.121 ( 0.000 10.162 3.257) 10.671 12.154 ( 0.000 6.340 0.933) 6.408 12.522 ( 0.000 4.669 -1.994) 5.077 12.697 ( 0.000 18.674 -8.438) 20.492 12.737 ( 0.000 3.089 -4.657) 5.588 12.879 ( 0.000 13.100 -2.405) 13.319 14.657 ( 0.000 2.811 3.418) 4.425 14.762 ( 0.000 5.116 -1.934) 5.469 16.017 ( 0.000 -3.429 7.216) 7.990 16.228 ( 0.000 0.096 -3.937) 3.938 17.206 ( 0.000 -7.403 -6.339) 9.746 17.288 ( 0.000 -6.468 -8.834) 10.949 18.762 ( 0.000 -8.229 6.448) 10.454 18.803 ( 0.000 -8.179 3.936) 9.077 20.016 ( 0.000 -25.888 3.153) 26.080 20.032 ( 0.000 -21.473 1.207) 21.506 ======================= Grid point 311 (104/144) ======================= q-point: ( 0.20 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -2.354 2.925 15.180) 15.638 2.353 ( -5.700 4.390 5.946) 9.334 2.486 ( 2.019 14.018 13.957) 19.884 2.696 ( -8.288 13.060 -0.784) 15.487 2.967 ( 5.174 16.014 0.013) 16.830 3.075 ( 7.237 15.828 -2.826) 17.632 3.301 ( -4.343 18.996 -0.558) 19.494 3.338 ( -1.639 22.860 -1.744) 22.985 3.707 ( 12.196 8.871 -2.275) 15.251 3.842 ( 10.977 5.423 -6.444) 13.836 4.669 ( -10.510 -4.517 1.416) 11.527 4.728 ( -8.925 -5.391 -0.637) 10.447 6.671 ( 0.431 16.883 8.076) 18.720 6.723 ( -1.220 20.444 5.910) 21.316 7.192 ( 3.547 5.219 8.842) 10.863 7.448 ( -2.335 -3.400 -2.090) 4.624 8.245 ( -0.499 3.894 6.960) 7.990 8.578 ( 4.275 1.741 -6.127) 7.671 8.738 ( -3.273 23.156 -1.529) 23.436 8.868 ( -0.141 16.131 -3.274) 16.461 9.089 ( 1.144 -2.678 11.804) 12.158 9.221 ( -2.411 -5.989 7.334) 9.771 9.597 ( 0.937 1.104 -11.954) 12.042 9.609 ( -0.003 1.459 -12.089) 12.176 9.987 ( 6.147 -11.641 -5.036) 14.095 10.177 ( 4.761 -10.734 -12.570) 17.201 10.459 ( 4.325 -1.452 2.456) 5.181 10.603 ( 3.911 -3.671 -4.125) 6.767 10.834 ( -2.147 7.077 3.451) 8.161 11.033 ( -7.609 8.621 -6.982) 13.452 11.800 ( -4.481 1.555 7.373) 8.768 11.988 ( 4.203 5.557 -1.377) 7.103 12.124 ( -0.116 9.665 3.676) 10.341 12.177 ( 2.940 10.157 -1.015) 10.622 12.320 ( -15.219 6.831 -0.782) 16.700 12.606 ( -8.020 20.905 -11.154) 25.015 12.866 ( 8.114 2.915 -2.151) 8.886 12.934 ( 3.964 9.451 -2.520) 10.554 14.682 ( 2.677 3.144 3.373) 5.331 14.780 ( 1.366 4.757 -1.435) 5.153 16.036 ( 2.183 -2.434 5.858) 6.709 16.214 ( -1.642 0.385 -3.477) 3.865 17.192 ( -1.228 -7.552 -5.695) 9.538 17.261 ( -2.752 -6.710 -7.921) 10.740 18.780 ( 1.909 -8.451 6.579) 10.879 18.824 ( 1.790 -8.736 4.255) 9.880 19.986 ( -1.580 -23.461 3.011) 23.706 20.040 ( -0.454 -23.009 0.335) 23.016 ======================= Grid point 312 (105/144) ======================= q-point: ( 0.40 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 1.834 2.716 12.242) 12.673 2.234 ( -6.351 3.177 8.239) 10.877 2.525 ( 2.404 14.432 7.489) 16.437 2.583 ( -4.358 13.647 2.382) 14.523 3.077 ( 6.347 16.755 -0.354) 17.920 3.170 ( -0.342 18.470 -0.383) 18.477 3.219 ( 0.081 23.830 -4.509) 24.253 3.292 ( -4.053 25.508 -3.350) 26.044 3.971 ( 15.102 1.139 2.183) 15.301 4.063 ( 9.341 1.981 -0.421) 9.558 4.451 ( -9.795 -4.806 -0.709) 10.934 4.517 ( -12.714 -3.507 -2.802) 13.483 6.683 ( 0.840 17.793 7.834) 19.459 6.701 ( -1.176 19.069 7.194) 20.415 7.274 ( 5.368 3.771 3.266) 7.328 7.375 ( -5.345 0.931 -1.102) 5.536 8.318 ( 7.930 2.618 9.657) 12.768 8.491 ( -9.950 1.053 7.464) 12.483 8.786 ( 5.066 20.449 -8.755) 22.814 8.851 ( -2.059 17.023 -6.689) 18.406 9.118 ( 2.165 -3.209 9.217) 9.997 9.168 ( -3.158 -3.689 7.981) 9.342 9.609 ( 0.287 0.451 -13.524) 13.535 9.610 ( 0.107 0.633 -13.340) 13.356 10.129 ( 7.904 -12.224 -3.475) 14.966 10.219 ( -1.241 -12.784 -6.254) 14.286 10.579 ( 8.846 2.043 1.067) 9.141 10.696 ( 3.554 6.636 -3.974) 8.513 10.765 ( -3.586 -2.894 -1.112) 4.740 10.871 ( -9.273 2.662 -5.125) 10.924 11.783 ( 4.459 2.010 5.506) 7.364 11.953 ( -11.191 -0.388 -0.211) 11.200 12.108 ( 0.460 11.096 4.148) 11.855 12.135 ( -2.418 9.414 0.720) 9.746 12.285 ( 7.977 18.188 -6.042) 20.759 12.446 ( -9.292 21.351 -10.057) 25.365 12.970 ( 3.220 3.426 -1.969) 5.097 12.985 ( 1.292 5.453 -2.066) 5.973 14.741 ( 3.416 3.662 2.451) 5.576 14.786 ( -1.094 4.136 0.361) 4.293 16.094 ( 4.013 -0.467 2.233) 4.616 16.167 ( -3.562 0.587 -1.521) 3.918 17.179 ( 0.248 -7.686 -5.080) 9.216 17.207 ( -2.676 -7.299 -6.063) 9.859 18.821 ( 2.221 -9.099 6.451) 11.373 18.844 ( -0.028 -9.353 5.412) 10.806 19.980 ( 0.977 -22.456 1.493) 22.527 20.013 ( -2.194 -22.547 -0.021) 22.654 ======================= Grid point 315 (106/144) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 0.000 6.792 11.920) 13.719 2.499 ( 0.000 3.095 8.528) 9.072 2.536 ( 0.000 -0.829 11.275) 11.305 2.826 ( 0.000 -4.315 -4.089) 5.945 3.066 ( 0.000 2.784 -4.827) 5.572 3.236 ( 0.000 8.014 -6.317) 10.204 3.832 ( 0.000 31.528 1.133) 31.549 3.892 ( 0.000 21.553 -3.310) 21.806 3.931 ( 0.000 16.918 -1.238) 16.963 4.060 ( 0.000 23.005 -6.501) 23.906 4.735 ( 0.000 3.146 1.095) 3.331 4.761 ( 0.000 4.040 0.248) 4.047 6.964 ( 0.000 12.513 11.814) 17.209 7.163 ( 0.000 20.623 5.313) 21.296 7.283 ( 0.000 6.116 10.533) 12.180 7.371 ( 0.000 -3.458 1.746) 3.874 8.376 ( 0.000 8.180 5.341) 9.769 8.679 ( 0.000 9.426 -13.003) 16.060 8.788 ( 0.000 -9.092 2.794) 9.512 8.951 ( 0.000 -8.133 -5.276) 9.694 9.152 ( 0.000 -0.668 8.537) 8.564 9.303 ( 0.000 14.794 1.913) 14.917 9.593 ( 0.000 -11.933 -10.101) 15.635 9.617 ( 0.000 2.819 -7.209) 7.741 9.737 ( 0.000 1.869 -4.321) 4.709 10.021 ( 0.000 -1.972 -17.161) 17.274 10.400 ( 0.000 -0.704 0.279) 0.757 10.507 ( 0.000 -0.889 -4.803) 4.884 11.012 ( 0.000 5.958 4.557) 7.501 11.237 ( 0.000 1.431 -7.304) 7.442 11.822 ( 0.000 -5.075 9.535) 10.801 11.972 ( 0.000 -2.665 -0.536) 2.719 12.329 ( 0.000 11.044 5.167) 12.193 12.424 ( 0.000 18.363 -1.158) 18.400 12.702 ( 0.000 13.268 -1.604) 13.365 12.851 ( 0.000 8.735 -3.279) 9.330 13.128 ( 0.000 23.184 -6.719) 24.138 13.219 ( 0.000 20.072 -2.485) 20.225 14.688 ( 0.000 0.276 4.265) 4.274 14.825 ( 0.000 1.271 -2.735) 3.016 15.945 ( 0.000 -3.503 8.112) 8.836 16.238 ( 0.000 1.041 -6.113) 6.201 17.033 ( 0.000 -9.644 -5.143) 10.930 17.142 ( 0.000 -7.880 -8.604) 11.668 18.581 ( 0.000 -9.649 6.835) 11.825 18.622 ( 0.000 -9.835 4.259) 10.718 19.489 ( 0.000 -25.867 5.285) 26.401 19.569 ( 0.000 -24.205 -0.235) 24.206 ======================= Grid point 316 (107/144) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -2.813 6.079 11.758) 13.532 2.441 ( -6.361 4.509 2.356) 8.146 2.581 ( 4.437 -0.434 13.219) 13.950 2.795 ( -3.407 1.324 -3.123) 4.807 3.119 ( 6.831 -0.178 -1.970) 7.112 3.336 ( 7.452 5.752 -6.733) 11.574 3.801 ( -3.709 24.416 -0.358) 24.699 3.859 ( 1.544 29.591 -0.514) 29.635 4.047 ( 5.055 12.163 -3.464) 13.620 4.082 ( 5.996 24.519 -4.566) 25.651 4.628 ( -10.463 4.178 1.961) 11.435 4.698 ( -7.569 4.377 -1.254) 8.833 6.975 ( 1.222 12.822 11.887) 17.527 7.117 ( -3.600 17.273 9.293) 19.942 7.321 ( 3.114 7.344 3.683) 8.786 7.401 ( 2.365 -0.786 1.923) 3.148 8.344 ( -1.810 7.823 5.459) 9.710 8.628 ( -5.874 3.561 -5.342) 8.702 8.810 ( 1.647 -9.139 -0.648) 9.308 8.916 ( -2.501 -7.949 -2.535) 8.710 9.198 ( 4.465 5.488 5.149) 8.750 9.317 ( 1.076 13.744 3.177) 14.147 9.594 ( 1.368 -3.299 -10.524) 11.113 9.652 ( 1.045 1.273 -10.377) 10.507 9.801 ( 6.991 -2.724 -3.412) 8.242 10.031 ( 0.813 -3.735 -14.068) 14.578 10.436 ( 4.534 -0.825 0.450) 4.630 10.556 ( 5.128 -1.463 -5.997) 8.025 10.967 ( -5.101 4.798 2.345) 7.385 11.140 ( -9.650 1.353 -6.939) 11.963 11.777 ( -2.744 -3.571 9.269) 10.305 11.990 ( -0.417 -4.218 -1.872) 4.634 12.329 ( 0.200 11.710 6.310) 13.303 12.491 ( 4.868 18.647 -4.361) 19.759 12.546 ( -8.232 14.395 3.674) 16.985 12.982 ( 7.855 10.002 -8.343) 15.210 13.060 ( -6.699 22.673 -3.165) 23.853 13.208 ( -1.197 17.594 -2.832) 17.861 14.718 ( 3.095 0.429 3.974) 5.055 14.837 ( 0.800 1.011 -1.904) 2.299 15.985 ( 4.268 -2.492 6.968) 8.543 16.231 ( -1.037 1.473 -4.935) 5.253 17.015 ( -1.504 -9.831 -4.885) 11.081 17.110 ( -3.234 -8.010 -8.140) 11.869 18.594 ( 1.366 -9.880 6.760) 12.049 18.632 ( 0.856 -10.320 4.621) 11.340 19.488 ( 0.220 -25.072 4.306) 25.440 19.564 ( -0.721 -24.354 -0.299) 24.366 ======================= Grid point 317 (108/144) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 1.771 6.036 8.719) 10.751 2.320 ( -6.129 5.358 4.792) 9.447 2.658 ( 3.947 2.014 6.020) 7.475 2.727 ( -3.822 3.361 0.374) 5.103 3.275 ( 8.921 0.576 -0.339) 8.946 3.392 ( -2.565 2.623 -3.329) 4.955 3.792 ( 2.925 27.510 -2.237) 27.755 3.856 ( -2.556 29.022 -3.764) 29.377 4.158 ( 10.164 13.095 0.948) 16.604 4.267 ( 11.613 16.875 -3.322) 20.752 4.398 ( -13.410 4.195 1.581) 14.140 4.507 ( -12.670 6.535 -3.117) 14.593 7.008 ( 2.289 13.743 11.860) 18.297 7.056 ( -3.072 15.158 11.301) 19.155 7.380 ( 3.129 6.222 -0.289) 6.971 7.419 ( -0.745 3.561 -0.352) 3.655 8.363 ( 4.352 4.255 5.626) 8.289 8.487 ( -8.489 1.083 1.890) 8.764 8.841 ( 1.882 -9.609 -0.566) 9.808 8.877 ( -2.046 -8.590 -0.792) 8.865 9.278 ( 3.777 12.081 1.726) 12.774 9.322 ( -0.947 12.923 2.841) 13.265 9.628 ( 1.849 0.589 -11.715) 11.875 9.652 ( -0.712 2.362 -11.266) 11.533 9.939 ( 7.019 -5.160 -3.705) 9.467 10.026 ( -2.233 -5.633 -7.118) 9.348 10.572 ( 9.833 -1.446 -0.917) 9.981 10.667 ( 4.647 -3.286 -5.438) 7.872 10.842 ( -5.820 3.401 -2.470) 7.179 10.937 ( -11.507 1.421 -6.790) 13.436 11.786 ( 4.498 -2.038 5.907) 7.700 11.913 ( -7.558 -3.962 -0.174) 8.535 12.341 ( 1.245 12.964 6.102) 14.383 12.389 ( -4.791 15.039 4.073) 16.301 12.679 ( 11.328 19.853 -4.185) 23.237 12.886 ( -10.982 21.693 -7.957) 25.583 13.108 ( 5.033 10.951 -2.663) 12.343 13.175 ( -2.570 13.707 -3.191) 14.306 14.784 ( 3.667 0.523 2.620) 4.538 14.834 ( -1.513 0.609 0.268) 1.653 16.086 ( 6.331 -0.219 3.534) 7.254 16.187 ( -4.182 1.514 -1.254) 4.621 17.002 ( 0.629 -9.671 -5.323) 11.057 17.043 ( -3.571 -8.686 -6.850) 11.624 18.623 ( 1.512 -10.495 6.428) 12.400 18.640 ( -0.213 -10.821 5.586) 12.180 19.505 ( 1.619 -24.190 2.025) 24.328 19.539 ( -1.887 -24.206 0.176) 24.280 ======================= Grid point 320 (109/144) ======================= q-point: ( 0.00 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 0.000 9.242 8.063) 12.265 2.469 ( 0.000 -1.905 14.686) 14.809 2.597 ( 0.000 3.909 -0.858) 4.002 2.748 ( 0.000 -3.276 -5.968) 6.808 3.099 ( 0.000 0.875 -6.380) 6.440 3.277 ( 0.000 -1.850 -10.542) 10.703 4.024 ( 0.000 -4.444 1.755) 4.778 4.092 ( 0.000 -0.661 -2.175) 2.274 4.452 ( 0.000 29.407 2.389) 29.504 4.631 ( 0.000 30.048 -6.736) 30.794 5.005 ( 0.000 20.954 0.297) 20.956 5.006 ( 0.000 19.340 1.010) 19.366 7.159 ( 0.000 7.192 11.436) 13.510 7.330 ( 0.000 -0.753 2.189) 2.315 7.369 ( 0.000 2.311 8.737) 9.037 7.516 ( 0.000 13.629 1.999) 13.775 8.620 ( 0.000 14.545 3.334) 14.922 8.656 ( 0.000 -2.429 5.575) 6.081 8.769 ( 0.000 -3.119 -1.035) 3.286 8.818 ( 0.000 -2.769 -7.203) 7.717 9.176 ( 0.000 8.379 -2.268) 8.681 9.355 ( 0.000 -9.280 -6.678) 11.433 9.496 ( 0.000 5.491 -1.586) 5.716 9.698 ( 0.000 3.461 -4.174) 5.422 9.814 ( 0.000 3.799 -6.918) 7.892 9.969 ( 0.000 -3.901 -17.509) 17.938 10.390 ( 0.000 -0.196 -0.037) 0.199 10.501 ( 0.000 -0.128 -6.215) 6.216 11.069 ( 0.000 -0.091 1.393) 1.395 11.195 ( 0.000 -4.940 -4.733) 6.842 11.682 ( 0.000 -8.769 8.719) 12.366 11.847 ( 0.000 -9.355 -0.354) 9.362 12.575 ( 0.000 13.045 9.637) 16.219 12.780 ( 0.000 16.350 0.636) 16.363 13.009 ( 0.000 16.203 -2.185) 16.349 13.080 ( 0.000 13.577 -6.206) 14.929 13.564 ( 0.000 19.382 -2.095) 19.495 13.629 ( 0.000 19.992 -1.728) 20.066 14.672 ( 0.000 -1.655 4.787) 5.065 14.823 ( 0.000 -1.050 -2.854) 3.041 15.888 ( 0.000 -1.966 8.608) 8.830 16.272 ( 0.000 2.295 -8.960) 9.249 16.836 ( 0.000 -9.726 -2.513) 10.046 16.988 ( 0.000 -7.219 -7.812) 10.637 18.387 ( 0.000 -9.691 7.189) 12.066 18.415 ( 0.000 -10.748 5.139) 11.914 19.015 ( 0.000 -21.415 3.909) 21.769 19.094 ( 0.000 -22.979 -1.481) 23.027 ======================= Grid point 321 (110/144) ======================= q-point: ( 0.20 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -2.563 5.875 9.652) 11.587 2.530 ( -5.226 4.339 1.349) 6.925 2.579 ( 6.076 2.037 8.598) 10.723 2.795 ( 1.784 -1.027 -5.713) 6.072 3.085 ( 1.982 -2.021 -3.327) 4.368 3.345 ( 4.218 -2.958 -11.312) 12.429 3.990 ( -1.335 -3.025 2.595) 4.203 4.121 ( 1.238 -2.896 -3.641) 4.815 4.476 ( 2.708 29.133 2.057) 29.331 4.634 ( 0.502 29.212 -6.061) 29.838 4.925 ( -6.871 22.337 1.801) 23.439 4.970 ( -4.830 20.760 -0.716) 21.326 7.171 ( 1.349 6.860 11.545) 13.497 7.332 ( -3.272 4.718 9.539) 11.134 7.369 ( 4.037 -0.138 1.079) 4.181 7.538 ( 1.288 10.242 0.721) 10.348 8.562 ( -4.446 11.747 2.417) 12.790 8.668 ( 1.331 -2.065 4.570) 5.188 8.693 ( -8.621 1.967 -6.209) 10.804 8.780 ( -1.831 -3.629 0.482) 4.093 9.241 ( 7.917 1.570 1.371) 8.187 9.468 ( 2.722 1.653 -6.232) 6.999 9.536 ( 8.208 1.951 -3.213) 9.028 9.713 ( 1.068 3.316 -5.122) 6.194 9.837 ( 2.824 3.165 -6.659) 7.895 9.969 ( 0.016 -3.564 -15.787) 16.185 10.423 ( 4.102 -0.368 -0.371) 4.135 10.530 ( 3.212 -1.183 -6.464) 7.315 11.005 ( -7.112 -0.937 -0.414) 7.186 11.103 ( -9.013 -4.267 -4.802) 11.068 11.662 ( -0.631 -7.836 7.937) 11.171 11.849 ( -1.164 -9.673 -1.460) 9.852 12.583 ( 1.057 13.399 9.438) 16.423 12.846 ( -6.821 15.325 5.438) 17.634 12.855 ( 4.848 16.816 -4.148) 17.985 13.233 ( 9.024 14.265 -7.894) 18.634 13.480 ( -8.488 18.515 -0.772) 20.382 13.590 ( -4.043 19.386 -2.642) 19.978 14.703 ( 3.066 -1.803 4.287) 5.570 14.829 ( 0.219 -1.460 -1.920) 2.422 15.947 ( 6.196 -1.117 7.798) 10.023 16.275 ( -0.276 2.918 -6.786) 7.392 16.814 ( -1.700 -9.964 -3.018) 10.549 16.956 ( -3.398 -7.125 -7.968) 11.216 18.395 ( 0.830 -9.986 6.991) 12.218 18.419 ( 0.332 -10.853 5.300) 12.083 19.022 ( 0.844 -21.373 3.089) 21.612 19.090 ( -0.565 -22.840 -1.256) 22.882 ======================= Grid point 322 (111/144) ======================= q-point: ( 0.40 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 1.626 6.857 6.754) 9.762 2.438 ( -4.539 6.136 3.612) 8.444 2.682 ( 5.265 1.525 3.936) 6.748 2.767 ( -3.911 1.281 -1.699) 4.452 3.204 ( 9.224 -5.535 -3.063) 11.185 3.345 ( -4.824 -5.317 -7.383) 10.298 4.020 ( 4.471 -3.187 -0.630) 5.527 4.104 ( -3.382 -3.947 -4.145) 6.648 4.550 ( 5.397 27.701 1.014) 28.240 4.635 ( -1.994 26.101 -3.081) 26.357 4.813 ( -2.712 26.381 0.979) 26.538 4.862 ( -6.012 23.976 -1.420) 24.759 7.209 ( 2.811 6.446 11.397) 13.392 7.268 ( -3.563 5.978 10.671) 12.740 7.458 ( 5.165 2.180 -0.735) 5.654 7.531 ( -2.372 5.753 -1.064) 6.313 8.510 ( -0.652 9.152 0.862) 9.215 8.553 ( -5.517 5.219 -1.931) 7.836 8.701 ( 2.212 -2.369 2.962) 4.391 8.743 ( -2.291 -2.834 1.549) 3.960 9.390 ( 6.809 1.715 1.452) 7.170 9.465 ( -1.800 3.381 -1.297) 4.044 9.670 ( 4.715 3.217 -6.360) 8.546 9.717 ( -0.927 3.398 -5.954) 6.918 9.910 ( 4.297 0.752 -6.710) 8.003 9.963 ( -1.274 -1.997 -10.394) 10.661 10.544 ( 8.319 -1.050 -1.965) 8.613 10.606 ( 3.653 -2.719 -4.901) 6.691 10.851 ( -6.633 -2.287 -4.668) 8.427 10.914 ( -10.636 -3.204 -6.254) 12.747 11.692 ( 4.021 -7.373 4.348) 9.457 11.786 ( -5.296 -8.801 -0.249) 10.275 12.618 ( 2.958 14.428 8.203) 16.858 12.700 ( -6.335 15.734 5.546) 17.846 13.042 ( 12.315 16.003 -1.279) 20.233 13.270 ( -11.607 15.978 -6.413) 20.764 13.391 ( 6.008 16.469 -1.241) 17.575 13.500 ( -5.639 17.602 -3.676) 18.845 14.766 ( 3.504 -2.151 2.633) 4.882 14.816 ( -1.825 -2.102 0.256) 2.796 16.091 ( 8.880 0.798 5.020) 10.232 16.229 ( -5.435 2.766 -0.553) 6.124 16.810 ( 1.925 -9.225 -5.643) 10.984 16.878 ( -4.784 -7.591 -7.692) 11.818 18.412 ( 0.879 -10.546 6.471) 12.404 18.422 ( -0.190 -10.893 5.812) 12.347 19.044 ( 1.549 -21.637 1.247) 21.728 19.072 ( -1.362 -22.312 -0.405) 22.358 ======================= Grid point 325 (112/144) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 0.000 1.643 8.913) 9.063 2.641 ( 0.000 5.566 4.897) 7.413 2.666 ( 0.000 2.909 -0.627) 2.976 2.719 ( 0.000 3.157 -7.759) 8.377 3.111 ( 0.000 0.648 -6.963) 6.993 3.200 ( 0.000 -5.314 -10.875) 12.104 3.862 ( 0.000 -10.162 3.210) 10.657 3.984 ( 0.000 -8.582 -3.057) 9.110 4.984 ( 0.000 23.847 3.604) 24.118 5.179 ( 0.000 24.315 -5.920) 25.026 5.418 ( 0.000 19.928 1.191) 19.963 5.429 ( 0.000 19.690 0.164) 19.691 7.251 ( 0.000 2.013 11.689) 11.861 7.330 ( 0.000 0.424 1.824) 1.872 7.396 ( 0.000 1.224 0.504) 1.323 7.664 ( 0.000 0.909 -6.047) 6.115 8.664 ( 0.000 3.261 8.834) 9.417 8.681 ( 0.000 -3.103 3.769) 4.882 8.861 ( 0.000 7.810 -1.044) 7.880 8.911 ( 0.000 12.045 -1.743) 12.171 9.267 ( 0.000 0.964 -1.681) 1.938 9.442 ( 0.000 15.109 -6.661) 16.512 9.582 ( 0.000 4.476 -3.483) 5.671 9.728 ( 0.000 -0.468 -3.302) 3.335 9.873 ( 0.000 2.199 -7.485) 7.801 9.873 ( 0.000 -5.038 -16.438) 17.193 10.398 ( 0.000 1.215 -0.264) 1.244 10.500 ( 0.000 0.288 -6.486) 6.492 11.024 ( 0.000 -3.859 -1.108) 4.015 11.065 ( 0.000 -7.587 -2.284) 7.924 11.481 ( 0.000 -11.203 6.257) 12.831 11.615 ( 0.000 -13.627 0.328) 13.631 12.831 ( 0.000 12.320 11.202) 16.652 13.058 ( 0.000 11.273 3.566) 11.823 13.308 ( 0.000 13.302 -2.019) 13.455 13.357 ( 0.000 13.519 -8.858) 16.162 13.873 ( 0.000 11.498 2.817) 11.838 13.980 ( 0.000 14.620 -1.973) 14.752 14.634 ( 0.000 -1.816 5.518) 5.809 14.799 ( 0.000 -1.206 -2.797) 3.045 15.873 ( 0.000 0.521 8.357) 8.373 16.314 ( 0.000 1.108 -12.118) 12.168 16.667 ( 0.000 -6.513 2.110) 6.847 16.864 ( 0.000 -5.224 -6.178) 8.090 18.203 ( 0.000 -10.221 5.840) 11.772 18.204 ( 0.000 -8.323 7.170) 10.986 18.637 ( 0.000 -16.559 0.585) 16.569 18.666 ( 0.000 -19.816 -2.669) 19.995 ======================= Grid point 326 (113/144) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 0.503 2.964 7.751) 8.314 2.607 ( -3.145 3.378 2.345) 5.177 2.695 ( 3.019 7.971 2.379) 8.849 2.767 ( 3.564 -1.059 -8.250) 9.049 3.060 ( -1.955 -0.304 -4.109) 4.560 3.255 ( 2.199 -5.489 -11.664) 13.078 3.846 ( -0.435 -9.524 3.110) 10.029 3.988 ( -0.366 -9.257 -3.816) 10.019 5.006 ( 2.517 23.833 3.145) 24.171 5.174 ( -0.494 24.172 -5.086) 24.706 5.372 ( -4.355 20.796 1.304) 21.287 5.396 ( -3.472 19.990 -0.333) 20.292 7.258 ( 0.782 2.107 10.797) 11.029 7.335 ( -0.279 -1.060 3.304) 3.481 7.414 ( 2.683 2.198 -0.583) 3.518 7.648 ( -1.993 0.132 -5.942) 6.269 8.633 ( -1.362 1.871 5.458) 5.928 8.719 ( 2.459 2.817 4.363) 5.746 8.802 ( -6.067 7.992 0.149) 10.035 8.875 ( -2.987 11.239 -2.972) 12.003 9.291 ( 5.794 3.738 2.496) 7.333 9.566 ( -0.940 4.792 -3.104) 5.787 9.616 ( 11.970 9.339 -5.273) 16.072 9.747 ( 1.382 0.102 -4.517) 4.725 9.868 ( 1.118 -3.344 -14.286) 14.715 9.899 ( 1.683 0.237 -9.138) 9.295 10.427 ( 3.643 0.938 -0.812) 3.849 10.514 ( 1.647 -0.239 -6.135) 6.357 10.941 ( -8.833 -5.196 -1.501) 10.358 10.999 ( -6.781 -5.560 -3.006) 9.270 11.472 ( 0.082 -11.001 5.360) 12.238 11.615 ( -0.976 -13.584 -0.803) 13.643 12.846 ( 1.786 12.642 10.459) 16.505 13.123 ( 6.239 11.158 5.901) 14.080 13.155 ( -8.429 13.933 -2.552) 16.483 13.500 ( 7.620 11.601 -9.961) 17.084 13.788 ( -7.909 12.513 4.860) 15.580 13.939 ( -4.461 15.145 -2.869) 16.047 14.655 ( 2.184 -2.789 4.831) 5.990 14.791 ( -1.010 -2.173 -1.903) 3.060 15.946 ( 7.624 1.118 7.833) 10.988 16.338 ( 1.413 2.771 -9.324) 9.829 16.635 ( -2.429 -7.575 0.950) 8.011 16.834 ( -3.299 -5.126 -6.821) 9.148 18.202 ( 0.244 -9.532 6.519) 11.551 18.213 ( 0.480 -9.093 6.060) 10.938 18.641 ( 0.396 -16.911 0.281) 16.918 18.665 ( -0.110 -19.585 -2.318) 19.722 ======================= Grid point 327 (114/144) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 2.354 4.274 6.038) 7.763 2.546 ( -3.415 4.395 4.197) 6.971 2.752 ( 3.003 5.579 -1.094) 6.430 2.794 ( -1.037 1.481 -5.748) 6.026 3.101 ( 6.275 -3.896 -3.447) 8.150 3.224 ( -5.495 -6.151 -7.867) 11.399 3.879 ( 3.876 -9.296 -0.594) 10.089 3.954 ( -3.457 -9.676 -3.798) 10.954 5.072 ( 4.572 23.692 1.765) 24.194 5.149 ( -2.970 23.674 -1.686) 23.919 5.303 ( -1.719 21.877 0.019) 21.944 5.326 ( -3.434 21.249 -0.994) 21.548 7.280 ( 1.681 1.403 8.768) 9.037 7.313 ( -1.774 -0.108 6.122) 6.375 7.492 ( 5.365 0.724 -2.923) 6.152 7.587 ( -4.693 -0.460 -4.981) 6.860 8.633 ( 1.576 5.411 3.381) 6.572 8.692 ( -5.018 8.027 1.606) 9.602 8.767 ( 2.886 6.784 1.468) 7.517 8.821 ( -3.028 9.416 -1.346) 9.982 9.432 ( 7.730 2.475 4.046) 9.069 9.531 ( -3.224 2.872 0.458) 4.342 9.753 ( 2.430 5.718 -6.498) 8.990 9.763 ( 0.451 1.593 -4.690) 4.973 9.917 ( 3.016 -2.182 -12.027) 12.590 9.930 ( 1.328 1.101 -7.563) 7.757 10.539 ( 7.556 0.720 -2.675) 8.048 10.567 ( 4.050 -0.994 -4.048) 5.812 10.769 ( -7.236 -5.413 -4.069) 9.911 10.832 ( -10.632 -4.589 -5.200) 12.694 11.502 ( 3.065 -11.454 2.536) 12.125 11.569 ( -3.742 -12.748 -0.394) 13.292 12.900 ( 4.235 13.515 8.514) 16.524 13.002 ( -7.132 14.370 5.304) 16.897 13.299 ( 11.600 9.596 1.096) 15.094 13.507 ( -9.337 8.018 -5.277) 13.391 13.725 ( 4.287 16.269 1.152) 16.863 13.835 ( -6.508 15.611 -3.206) 17.214 14.705 ( 3.101 -3.907 2.789) 5.715 14.758 ( -2.587 -3.631 0.228) 4.465 16.120 ( 10.747 2.195 5.992) 12.499 16.294 ( -7.109 3.637 0.711) 8.017 16.645 ( 4.263 -7.325 -5.680) 10.202 16.748 ( -5.939 -5.469 -7.613) 11.097 18.210 ( 0.548 -9.478 6.104) 11.287 18.217 ( -0.103 -9.270 5.782) 10.926 18.651 ( 0.596 -17.823 -0.495) 17.840 18.660 ( -0.418 -18.870 -1.473) 18.932 ======================= Grid point 330 (115/144) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 0.000 5.213 2.760) 5.898 2.656 ( 0.000 -0.091 -3.142) 3.144 2.705 ( 0.000 0.773 -0.606) 0.982 2.874 ( 0.000 6.055 -5.069) 7.897 3.100 ( 0.000 -2.215 -7.336) 7.663 3.141 ( 0.000 2.700 -5.755) 6.357 3.652 ( 0.000 -10.390 3.630) 11.006 3.782 ( 0.000 -11.369 -3.065) 11.775 5.399 ( 0.000 17.708 4.172) 18.193 5.580 ( 0.000 15.483 -3.858) 15.957 5.748 ( 0.000 11.931 -0.135) 11.931 5.753 ( 0.000 13.011 0.464) 13.020 7.262 ( 0.000 0.130 6.017) 6.018 7.336 ( 0.000 0.016 0.247) 0.247 7.422 ( 0.000 0.943 -3.244) 3.379 7.590 ( 0.000 -6.622 -9.454) 11.543 8.677 ( 0.000 2.310 4.247) 4.834 8.739 ( 0.000 3.439 6.031) 6.942 9.091 ( 0.000 13.574 2.009) 13.722 9.105 ( 0.000 8.943 -1.530) 9.073 9.344 ( 0.000 4.779 -0.089) 4.780 9.632 ( 0.000 -0.713 -11.289) 11.311 9.678 ( 0.000 2.989 -6.613) 7.257 9.686 ( 0.000 -3.390 -4.918) 5.973 9.868 ( 0.000 8.455 -5.485) 10.078 9.937 ( 0.000 5.918 -2.565) 6.450 10.444 ( 0.000 3.399 -1.079) 3.566 10.518 ( 0.000 1.469 -5.812) 5.994 10.916 ( 0.000 -6.598 -0.541) 6.620 10.937 ( 0.000 -4.227 -2.818) 5.080 11.244 ( 0.000 -12.272 2.551) 12.535 11.318 ( 0.000 -15.744 0.744) 15.761 13.052 ( 0.000 9.585 10.506) 14.221 13.222 ( 0.000 5.155 4.717) 6.987 13.531 ( 0.000 9.138 -1.908) 9.335 13.593 ( 0.000 9.503 -9.457) 13.407 14.036 ( 0.000 5.691 7.361) 9.304 14.189 ( 0.000 5.845 -1.655) 6.075 14.619 ( 0.000 0.880 5.368) 5.440 14.776 ( 0.000 -1.295 -2.468) 2.787 15.912 ( 0.000 3.409 6.683) 7.502 16.276 ( 0.000 -5.121 -9.948) 11.189 16.608 ( 0.000 0.586 3.543) 3.591 16.777 ( 0.000 -3.641 -3.589) 5.112 18.029 ( 0.000 -6.666 4.950) 8.303 18.068 ( 0.000 -5.088 6.616) 8.346 18.318 ( 0.000 -14.565 -4.096) 15.130 18.352 ( 0.000 -12.130 -2.037) 12.300 ======================= Grid point 331 (116/144) ======================= q-point: ( 0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 0.934 5.029 2.596) 5.736 2.659 ( -1.417 1.682 0.988) 2.411 2.719 ( 3.131 -1.523 -5.063) 6.145 2.871 ( -0.401 4.852 -5.646) 7.455 3.078 ( -0.766 2.696 -4.057) 4.931 3.171 ( 1.043 -0.802 -6.935) 7.058 3.644 ( -0.026 -10.337 3.063) 10.781 3.776 ( -0.956 -11.651 -3.495) 12.202 5.420 ( 2.318 17.526 3.660) 18.053 5.576 ( -0.530 15.639 -3.275) 15.987 5.716 ( -3.472 13.215 0.653) 13.679 5.723 ( -2.608 12.337 -0.482) 12.619 7.270 ( 0.826 0.168 5.302) 5.368 7.334 ( -0.470 0.634 1.276) 1.500 7.430 ( 1.263 -0.443 -4.295) 4.499 7.574 ( -1.800 -6.162 -8.622) 10.749 8.697 ( 2.571 4.461 4.665) 6.947 8.797 ( 5.576 4.036 4.395) 8.167 9.016 ( -6.803 11.985 2.362) 13.982 9.084 ( -2.580 10.206 -1.056) 10.579 9.371 ( 3.580 3.732 0.517) 5.197 9.619 ( -3.151 0.255 -2.893) 4.285 9.705 ( 3.562 -4.767 -6.465) 8.787 9.756 ( 4.709 -2.885 -15.165) 16.139 9.896 ( 4.085 12.599 -3.387) 13.671 9.965 ( 2.917 6.825 -2.173) 7.734 10.464 ( 2.619 2.547 -1.378) 3.904 10.525 ( 0.836 1.058 -5.369) 5.536 10.827 ( -8.112 -5.044 -0.261) 9.556 10.899 ( -5.216 -4.092 -3.606) 7.547 11.234 ( -0.213 -12.619 2.287) 12.827 11.321 ( -0.520 -15.471 -0.561) 15.490 13.074 ( 2.492 9.934 9.702) 14.107 13.276 ( 5.854 4.475 4.108) 8.436 13.409 ( -8.361 11.168 0.386) 13.956 13.666 ( 1.793 4.625 -9.201) 10.453 13.999 ( -2.117 9.299 7.912) 12.392 14.180 ( -1.701 8.662 -2.800) 9.261 14.603 ( -0.972 -1.944 5.178) 5.616 14.743 ( -3.319 -2.767 -1.853) 4.702 15.993 ( 8.342 3.630 6.369) 11.106 16.337 ( 6.071 -3.854 -9.635) 12.022 16.552 ( -5.707 0.118 4.537) 7.292 16.747 ( -3.471 -3.867 -4.319) 6.757 18.035 ( 0.727 -6.343 4.843) 8.014 18.071 ( 0.203 -5.041 5.730) 7.634 18.320 ( 0.240 -14.569 -3.478) 14.980 18.348 ( -0.359 -12.487 -1.941) 12.642 ======================= Grid point 332 (117/144) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 2.064 4.137 2.571) 5.290 2.615 ( -2.786 2.820 2.446) 4.659 2.798 ( 4.376 -1.589 -7.754) 9.044 2.854 ( -1.769 1.754 -7.347) 7.758 3.090 ( 2.253 3.737 -1.402) 4.583 3.148 ( -3.246 0.545 -3.334) 4.685 3.674 ( 3.247 -10.965 -0.454) 11.445 3.738 ( -3.189 -11.680 -3.243) 12.534 5.479 ( 4.114 16.971 2.244) 17.607 5.550 ( -2.880 16.230 -0.606) 16.495 5.660 ( -1.494 13.454 -0.282) 13.540 5.673 ( -2.326 13.030 -0.886) 13.266 7.290 ( 1.331 0.398 3.836) 4.080 7.316 ( -1.394 0.814 2.465) 2.947 7.471 ( 2.999 -2.678 -5.566) 6.867 7.528 ( -3.088 -4.719 -7.012) 8.999 8.771 ( 5.377 7.896 4.644) 10.622 8.885 ( -7.069 10.683 4.114) 13.455 8.912 ( 6.456 6.697 1.391) 9.406 9.016 ( -4.846 9.260 -0.350) 10.457 9.462 ( 5.747 0.843 1.132) 5.918 9.555 ( -4.243 -0.328 -0.388) 4.273 9.749 ( 2.161 -3.861 -8.092) 9.223 9.784 ( -1.163 -4.553 -11.642) 12.554 10.001 ( 4.615 11.558 -4.188) 13.131 10.019 ( 2.015 8.868 -2.796) 9.515 10.561 ( 4.137 -0.567 -3.260) 5.298 10.564 ( 8.335 -0.055 -3.895) 9.200 10.669 ( -8.148 -2.362 -1.352) 8.591 10.752 ( -10.468 -2.333 -4.659) 11.693 11.250 ( 1.827 -13.520 0.729) 13.663 11.291 ( -2.400 -14.676 -0.814) 14.893 13.144 ( 5.267 10.781 7.559) 14.181 13.261 ( -7.542 11.417 3.815) 14.205 13.423 ( 9.693 2.927 3.134) 10.599 13.598 ( -8.423 1.317 -2.568) 8.904 14.023 ( 4.431 13.541 2.079) 14.398 14.117 ( -5.035 12.642 -2.265) 13.795 14.611 ( 2.134 -5.484 3.044) 6.625 14.672 ( -4.118 -5.136 0.063) 6.583 16.180 ( 11.378 3.775 5.422) 13.157 16.370 ( -8.085 3.954 1.459) 9.118 16.514 ( 6.643 -6.089 -3.992) 9.856 16.651 ( -6.996 -4.580 -5.475) 9.995 18.053 ( 1.097 -5.681 4.408) 7.274 18.069 ( -0.537 -5.146 4.519) 6.870 18.328 ( 0.568 -14.235 -2.361) 14.441 18.339 ( -0.625 -13.366 -1.865) 13.510 ======================= Grid point 335 (118/144) ======================= q-point: ( 0.00 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.000 7.259 -3.304) 7.976 2.668 ( 0.000 1.196 -3.094) 3.317 2.698 ( 0.000 -0.853 -1.557) 1.776 2.826 ( 0.000 -7.507 -7.476) 10.594 3.206 ( 0.000 8.091 -3.561) 8.840 3.221 ( 0.000 4.649 -3.258) 5.677 3.476 ( 0.000 -5.646 2.646) 6.235 3.551 ( 0.000 -10.868 -1.648) 10.992 5.678 ( 0.000 9.914 3.803) 10.618 5.764 ( 0.000 2.217 1.214) 2.528 5.909 ( 0.000 4.569 -2.083) 5.022 5.921 ( 0.000 3.785 -1.242) 3.983 7.283 ( 0.000 2.085 -0.585) 2.165 7.325 ( 0.000 -1.354 -2.072) 2.476 7.428 ( 0.000 0.150 -4.367) 4.370 7.466 ( 0.000 -4.512 -6.943) 8.280 8.742 ( 0.000 3.273 3.902) 5.093 8.778 ( 0.000 0.058 3.933) 3.933 9.281 ( 0.000 7.921 2.017) 8.174 9.323 ( 0.000 6.881 4.206) 8.065 9.439 ( 0.000 4.885 -3.780) 6.177 9.534 ( 0.000 -5.599 -10.121) 11.567 9.614 ( 0.000 -2.623 -9.429) 9.787 9.652 ( 0.000 -4.322 -11.356) 12.151 10.063 ( 0.000 7.347 3.277) 8.045 10.084 ( 0.000 5.495 4.941) 7.390 10.516 ( 0.000 2.918 -2.690) 3.969 10.541 ( 0.000 0.199 -4.537) 4.541 10.854 ( 0.000 2.154 -0.538) 2.220 10.894 ( 0.000 1.223 -3.699) 3.896 11.014 ( 0.000 -9.977 -1.488) 10.087 11.019 ( 0.000 -13.112 0.174) 13.114 13.204 ( 0.000 5.515 8.458) 10.098 13.266 ( 0.000 -0.588 6.213) 6.241 13.672 ( 0.000 4.818 -3.394) 5.894 13.708 ( 0.000 1.713 -7.241) 7.440 14.135 ( 0.000 4.744 7.473) 8.852 14.215 ( 0.000 -2.423 2.704) 3.631 14.671 ( 0.000 3.675 1.929) 4.150 14.738 ( 0.000 -2.669 -1.072) 2.877 16.008 ( 0.000 6.078 2.951) 6.757 16.144 ( 0.000 -7.269 -2.787) 7.785 16.651 ( 0.000 2.891 1.275) 3.159 16.711 ( 0.000 -3.116 -0.774) 3.211 17.956 ( 0.000 -0.384 3.427) 3.448 17.996 ( 0.000 -3.002 5.554) 6.313 18.119 ( 0.000 -3.974 -5.108) 6.472 18.161 ( 0.000 -6.645 -3.090) 7.329 ======================= Grid point 336 (119/144) ======================= q-point: ( 0.20 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.138 6.483 -3.053) 7.167 2.679 ( 0.229 0.603 -1.661) 1.782 2.697 ( 0.958 -0.031 -3.588) 3.714 2.821 ( -0.744 -7.064 -7.534) 10.354 3.212 ( 0.868 8.015 -2.424) 8.418 3.243 ( 1.899 6.073 -3.225) 7.134 3.459 ( -1.325 -6.616 2.258) 7.115 3.539 ( -1.408 -11.383 -2.076) 11.656 5.693 ( 1.643 9.476 3.250) 10.151 5.768 ( 0.487 2.832 0.888) 3.008 5.882 ( -2.710 4.382 -1.518) 5.372 5.891 ( -2.954 3.991 -1.109) 5.088 7.294 ( 1.131 2.335 -0.877) 2.739 7.339 ( 1.218 -0.936 -1.747) 2.326 7.413 ( -1.420 -0.302 -4.884) 5.095 7.456 ( -1.108 -4.615 -6.191) 7.801 8.791 ( 5.303 4.277 4.253) 8.031 8.841 ( 6.515 -0.188 3.856) 7.573 9.222 ( -6.501 7.606 3.419) 10.573 9.258 ( -5.300 5.017 2.875) 7.844 9.460 ( 2.228 5.698 -3.960) 7.288 9.579 ( 2.590 -5.926 -7.707) 10.061 9.598 ( -0.782 -0.922 -8.098) 8.187 9.665 ( 0.725 -5.760 -12.194) 13.506 10.117 ( 5.551 7.520 2.306) 9.627 10.132 ( 5.141 6.522 2.553) 8.688 10.504 ( -1.340 1.062 -2.702) 3.198 10.530 ( -1.388 -1.104 -4.156) 4.518 10.804 ( -4.179 4.227 -0.324) 5.953 10.874 ( -2.811 2.953 -4.152) 5.819 10.983 ( -1.312 -12.079 0.175) 12.151 11.032 ( -0.335 -12.233 -2.072) 12.412 13.234 ( 3.342 5.996 7.846) 10.425 13.307 ( 4.486 -1.209 5.680) 7.338 13.592 ( -6.808 7.111 -1.094) 9.906 13.687 ( -3.988 -2.200 -4.794) 6.612 14.165 ( 3.671 7.135 5.889) 9.953 14.258 ( 4.140 -1.148 1.067) 4.426 14.606 ( -6.400 2.546 2.236) 7.242 14.677 ( -6.047 -3.815 -0.960) 7.214 16.089 ( 8.297 5.911 2.857) 10.580 16.219 ( 7.665 -6.823 -2.626) 10.592 16.599 ( -5.550 3.443 1.727) 6.755 16.672 ( -4.356 -3.748 -1.048) 5.841 17.970 ( 1.450 0.000 2.833) 3.182 18.010 ( 1.271 -2.152 4.548) 5.190 18.112 ( -0.737 -4.843 -4.360) 6.558 18.152 ( -1.031 -6.922 -2.601) 7.466 ======================= Grid point 337 (120/144) ======================= q-point: ( 0.40 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 0.155 5.086 -2.456) 5.650 2.673 ( -0.414 3.758 -1.348) 4.014 2.740 ( 3.039 -3.504 -5.588) 7.262 2.792 ( -2.467 -5.925 -6.931) 9.447 3.238 ( 1.840 9.416 -0.982) 9.645 3.263 ( -0.334 9.392 -1.618) 9.536 3.455 ( 1.388 -10.586 -0.241) 10.679 3.499 ( -2.828 -11.945 -2.234) 12.477 5.737 ( 3.051 8.430 1.785) 9.141 5.779 ( -0.021 5.736 0.080) 5.737 5.824 ( -2.537 3.455 0.284) 4.296 5.837 ( -2.593 3.394 -0.866) 4.358 7.320 ( 1.711 2.765 -1.421) 3.548 7.348 ( -0.860 2.323 -1.280) 2.788 7.400 ( 0.777 -3.791 -5.397) 6.641 7.428 ( -1.785 -4.666 -5.290) 7.276 8.919 ( 8.350 6.270 4.760) 11.475 8.988 ( 8.986 0.113 3.602) 9.682 9.077 ( -8.722 7.560 4.840) 12.517 9.143 ( -7.621 1.928 3.297) 8.524 9.509 ( 2.939 4.685 -4.552) 7.163 9.559 ( -2.389 2.246 -5.919) 6.766 9.632 ( 2.167 -6.733 -7.873) 10.584 9.663 ( -1.052 -6.793 -10.243) 12.336 10.227 ( 5.374 10.001 -0.041) 11.353 10.242 ( 4.757 10.280 -1.689) 11.453 10.470 ( -1.636 -6.439 -2.096) 6.966 10.489 ( -2.865 -6.356 -3.065) 7.615 10.754 ( -0.245 8.784 -1.461) 8.908 10.800 ( -4.507 7.208 -3.778) 9.303 10.979 ( 0.876 -13.145 -0.697) 13.193 11.008 ( -1.935 -13.005 -2.091) 13.314 13.323 ( 6.354 7.087 5.928) 11.213 13.420 ( 7.090 -1.987 2.786) 7.873 13.456 ( -7.156 7.123 3.926) 10.833 13.571 ( -8.079 -3.763 0.156) 8.914 14.260 ( 6.162 9.978 2.477) 11.986 14.328 ( 1.381 7.026 -0.854) 7.211 14.495 ( -3.140 -4.826 2.753) 6.382 14.552 ( -6.847 -6.707 -0.090) 9.584 16.271 ( 10.970 5.397 2.638) 12.508 16.387 ( 9.896 -5.745 -2.353) 11.682 16.461 ( -9.331 4.287 2.554) 10.581 16.557 ( -8.224 -4.924 -1.521) 9.706 18.003 ( 1.929 0.871 1.516) 2.603 18.026 ( -0.129 0.755 1.983) 2.126 18.104 ( 0.396 -7.695 -2.093) 7.985 18.126 ( -1.615 -7.721 -1.550) 8.039 ======================= Grid point 375 (121/144) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.000 0.000 -4.465) 4.465 1.887 ( 0.000 0.000 4.465) 4.465 2.395 ( 0.000 0.000 -2.990) 2.990 2.395 ( 0.000 0.000 2.990) 2.990 2.557 ( 0.000 0.000 -3.189) 3.189 2.557 ( 0.000 0.000 3.189) 3.189 3.155 ( 0.000 0.000 -2.047) 2.047 3.155 ( 0.000 0.000 2.047) 2.047 3.520 ( 0.000 0.000 -2.211) 2.211 3.520 ( 0.000 0.000 2.211) 2.211 4.976 ( 0.000 0.000 -7.003) 7.003 4.976 ( 0.000 0.000 7.003) 7.003 6.225 ( 0.000 0.000 -0.651) 0.651 6.225 ( 0.000 0.000 0.651) 0.651 7.372 ( 0.000 0.000 -18.086) 18.086 7.372 ( 0.000 0.000 18.086) 18.086 7.883 ( 0.000 0.000 -3.091) 3.091 7.883 ( 0.000 0.000 3.091) 3.091 8.785 ( 0.000 0.000 -3.165) 3.165 8.785 ( 0.000 0.000 3.165) 3.165 8.949 ( 0.000 0.000 -0.300) 0.300 8.949 ( 0.000 0.000 0.300) 0.300 9.871 ( 0.000 0.000 -0.920) 0.920 9.871 ( 0.000 0.000 0.920) 0.920 10.082 ( 0.000 0.000 -1.317) 1.317 10.082 ( 0.000 0.000 1.317) 1.317 10.330 ( 0.000 0.000 -1.263) 1.263 10.330 ( 0.000 0.000 1.263) 1.263 11.043 ( 0.000 0.000 -12.511) 12.511 11.043 ( 0.000 0.000 12.511) 12.511 11.561 ( 0.000 0.000 -3.237) 3.237 11.561 ( 0.000 0.000 3.237) 3.237 12.049 ( 0.000 0.000 -1.517) 1.517 12.049 ( 0.000 0.000 1.517) 1.517 12.397 ( 0.000 0.000 -3.941) 3.941 12.397 ( 0.000 0.000 3.941) 3.941 12.659 ( 0.000 0.000 -0.445) 0.445 12.659 ( 0.000 0.000 0.445) 0.445 14.572 ( 0.000 0.000 -0.568) 0.568 14.572 ( 0.000 0.000 0.568) 0.568 16.184 ( 0.000 0.000 -3.422) 3.422 16.184 ( 0.000 0.000 3.422) 3.422 17.312 ( 0.000 0.000 -2.194) 2.194 17.312 ( 0.000 0.000 2.194) 2.194 19.016 ( 0.000 0.000 -1.065) 1.065 19.016 ( 0.000 0.000 1.065) 1.065 20.574 ( 0.000 0.000 -3.069) 3.069 20.574 ( 0.000 0.000 3.069) 3.069 ======================= Grid point 377 (122/144) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.258 0.000 -3.631) 3.640 1.889 ( 0.258 0.000 3.631) 3.640 2.379 ( -1.640 0.000 -3.143) 3.545 2.379 ( -1.640 0.000 3.143) 3.545 2.555 ( -0.199 0.000 -2.600) 2.608 2.555 ( -0.199 0.000 2.600) 2.608 2.995 ( -10.812 0.000 -4.497) 11.710 2.995 ( -10.812 0.000 4.497) 11.710 3.774 ( 20.981 0.000 -3.122) 21.212 3.774 ( 20.981 0.000 3.122) 21.212 4.869 ( -11.501 0.000 -6.177) 13.055 4.869 ( -11.501 0.000 6.177) 13.055 6.225 ( 0.006 0.000 -0.527) 0.527 6.225 ( 0.006 0.000 0.527) 0.527 7.366 ( -0.493 0.000 -14.150) 14.158 7.366 ( -0.493 0.000 14.150) 14.158 7.882 ( -0.023 0.000 -2.500) 2.500 7.882 ( -0.023 0.000 2.500) 2.500 8.803 ( 1.606 0.000 -4.478) 4.757 8.803 ( 1.606 0.000 4.478) 4.757 8.949 ( 0.014 0.000 -0.243) 0.243 8.949 ( 0.014 0.000 0.243) 0.243 9.871 ( 0.024 0.000 -0.745) 0.745 9.871 ( 0.024 0.000 0.745) 0.745 10.128 ( 3.977 0.000 -9.391) 10.198 10.128 ( 3.977 0.000 9.391) 10.198 10.339 ( 1.508 0.000 -1.381) 2.045 10.339 ( 1.508 0.000 1.381) 2.045 11.084 ( 4.401 0.000 -9.163) 10.165 11.084 ( 4.401 0.000 9.163) 10.165 11.560 ( -0.046 0.000 -2.617) 2.617 11.560 ( -0.046 0.000 2.617) 2.617 12.049 ( 0.028 0.000 -1.225) 1.225 12.049 ( 0.028 0.000 1.225) 1.225 12.167 ( -18.045 0.000 -3.154) 18.319 12.167 ( -18.045 0.000 3.154) 18.319 12.802 ( 9.203 0.000 -1.186) 9.280 12.802 ( 9.203 0.000 1.186) 9.280 14.594 ( 2.101 0.000 -1.125) 2.384 14.594 ( 2.101 0.000 1.125) 2.384 16.164 ( -1.967 0.000 -3.194) 3.751 16.164 ( -1.967 0.000 3.194) 3.751 17.306 ( -0.528 0.000 -1.827) 1.902 17.306 ( -0.528 0.000 1.827) 1.902 19.047 ( 3.035 0.000 -1.390) 3.338 19.047 ( 3.035 0.000 1.390) 3.338 20.550 ( -2.400 0.000 -2.947) 3.800 20.550 ( -2.400 0.000 2.947) 3.800 ======================= Grid point 379 (123/144) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 0.161 0.000 -1.399) 1.408 1.894 ( 0.161 0.000 1.399) 1.408 2.350 ( -1.127 0.000 -1.655) 2.002 2.350 ( -1.127 0.000 1.655) 2.002 2.552 ( -0.125 0.000 -1.006) 1.014 2.552 ( -0.125 0.000 1.006) 1.014 2.857 ( -3.958 0.000 -2.369) 4.612 2.857 ( -3.958 0.000 2.369) 4.612 4.170 ( 21.223 0.000 -3.337) 21.484 4.170 ( 21.223 0.000 3.337) 21.484 4.590 ( -17.940 0.000 -4.423) 18.477 4.590 ( -17.940 0.000 4.423) 18.477 6.225 ( 0.004 0.000 -0.201) 0.201 6.225 ( 0.004 0.000 0.201) 0.201 7.359 ( -0.254 0.000 -5.140) 5.146 7.359 ( -0.254 0.000 5.140) 5.146 7.882 ( -0.014 0.000 -0.955) 0.955 7.882 ( -0.014 0.000 0.955) 0.955 8.828 ( 0.850 0.000 -2.420) 2.565 8.828 ( 0.850 0.000 2.420) 2.565 8.950 ( 0.009 0.000 -0.092) 0.093 8.950 ( 0.009 0.000 0.092) 0.093 9.872 ( 0.015 0.000 -0.285) 0.285 9.872 ( 0.015 0.000 0.285) 0.285 10.177 ( 1.087 0.000 -4.926) 5.044 10.177 ( 1.087 0.000 4.926) 5.044 10.389 ( 2.774 0.000 -2.244) 3.568 10.389 ( 2.774 0.000 2.244) 3.568 11.182 ( 4.956 0.000 -3.067) 5.829 11.182 ( 4.956 0.000 3.067) 5.829 11.559 ( -0.028 0.000 -0.998) 0.999 11.559 ( -0.028 0.000 0.998) 0.999 11.872 ( -11.477 0.000 -1.733) 11.607 11.872 ( -11.477 0.000 1.733) 11.607 12.050 ( 0.017 0.000 -0.466) 0.467 12.050 ( 0.017 0.000 0.466) 0.467 12.920 ( 3.390 0.000 -0.562) 3.437 12.920 ( 3.390 0.000 0.562) 3.437 14.630 ( 1.313 0.000 -0.727) 1.501 14.630 ( 1.313 0.000 0.727) 1.501 16.130 ( -1.281 0.000 -1.478) 1.956 16.130 ( -1.281 0.000 1.478) 1.956 17.298 ( -0.285 0.000 -0.724) 0.779 17.298 ( -0.285 0.000 0.724) 0.779 19.099 ( 1.943 0.000 -0.800) 2.101 19.099 ( 1.943 0.000 0.800) 2.101 20.508 ( -1.573 0.000 -1.403) 2.108 20.508 ( -1.573 0.000 1.403) 2.108 ======================= Grid point 385 (124/144) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.000 26.613 -4.979) 27.075 2.186 ( 0.000 26.613 4.979) 27.075 2.394 ( 0.000 0.456 -4.521) 4.544 2.394 ( 0.000 0.456 4.521) 4.544 2.712 ( 0.000 12.727 -4.226) 13.411 2.712 ( 0.000 12.727 4.226) 13.411 3.178 ( 0.000 3.216 -3.225) 4.554 3.178 ( 0.000 3.216 3.225) 4.554 3.493 ( 0.000 -1.441 -4.809) 5.021 3.493 ( 0.000 -1.441 4.809) 5.021 4.915 ( 0.000 -5.387 -4.943) 7.311 4.915 ( 0.000 -5.387 4.943) 7.311 6.391 ( 0.000 15.379 -0.102) 15.379 6.391 ( 0.000 15.379 0.102) 15.379 7.364 ( 0.000 -0.365 -15.114) 15.118 7.364 ( 0.000 -0.365 15.114) 15.118 8.089 ( 0.000 16.899 -2.640) 17.104 8.089 ( 0.000 16.899 2.640) 17.104 8.685 ( 0.000 -1.584 -2.759) 3.181 8.685 ( 0.000 -1.584 2.759) 3.181 9.180 ( 0.000 14.930 -3.716) 15.386 9.180 ( 0.000 14.930 3.716) 15.386 9.625 ( 0.000 -16.926 -0.121) 16.926 9.625 ( 0.000 -16.926 0.121) 16.926 10.064 ( 0.000 -4.252 -3.771) 5.683 10.064 ( 0.000 -4.252 3.771) 5.683 10.501 ( 0.000 8.943 -5.578) 10.540 10.501 ( 0.000 8.943 5.578) 10.540 10.895 ( 0.000 -7.248 -6.989) 10.068 10.895 ( 0.000 -7.248 6.989) 10.068 11.727 ( 0.000 12.380 -0.385) 12.386 11.727 ( 0.000 12.380 0.385) 12.386 12.067 ( 0.000 2.215 -1.189) 2.514 12.067 ( 0.000 2.215 1.189) 2.514 12.411 ( 0.000 1.821 -2.786) 3.328 12.411 ( 0.000 1.821 2.786) 3.328 12.687 ( 0.000 3.219 -0.803) 3.317 12.687 ( 0.000 3.219 0.803) 3.317 14.624 ( 0.000 4.533 -1.389) 4.741 14.624 ( 0.000 4.533 1.389) 4.741 16.173 ( 0.000 -1.136 -3.970) 4.129 16.173 ( 0.000 -1.136 3.970) 4.129 17.275 ( 0.000 -3.668 -2.297) 4.328 17.275 ( 0.000 -3.668 2.297) 4.328 18.965 ( 0.000 -4.893 -1.019) 4.998 18.965 ( 0.000 -4.893 1.019) 4.998 20.427 ( 0.000 -14.291 -2.020) 14.433 20.427 ( 0.000 -14.291 2.020) 14.433 ======================= Grid point 387 (125/144) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -0.565 25.487 -3.679) 25.758 2.180 ( -0.565 25.487 3.679) 25.758 2.367 ( -2.733 -0.286 -4.583) 5.344 2.367 ( -2.733 -0.286 4.583) 5.344 2.721 ( 1.086 13.588 -3.661) 14.114 2.721 ( 1.086 13.588 3.661) 14.114 3.035 ( -9.480 5.598 -4.370) 11.845 3.035 ( -9.480 5.598 4.370) 11.845 3.735 ( 19.960 -3.028 -3.616) 20.510 3.735 ( 19.960 -3.028 3.616) 20.510 4.811 ( -11.060 -5.051 -4.363) 12.918 4.811 ( -11.060 -5.051 4.363) 12.918 6.391 ( -0.042 15.370 -0.109) 15.371 6.391 ( -0.042 15.370 0.109) 15.371 7.350 ( -1.190 -0.777 -11.721) 11.807 7.350 ( -1.190 -0.777 11.721) 11.807 8.116 ( 2.483 19.506 -3.670) 20.003 8.116 ( 2.483 19.506 3.670) 20.003 8.684 ( -0.100 -3.702 -1.834) 4.133 8.684 ( -0.100 -3.702 1.834) 4.133 9.171 ( -0.856 14.027 -3.256) 14.426 9.171 ( -0.856 14.027 3.256) 14.426 9.623 ( -0.174 -16.820 -0.429) 16.826 9.623 ( -0.174 -16.820 0.429) 16.826 10.144 ( 8.049 -3.424 -6.638) 10.981 10.144 ( 8.049 -3.424 6.638) 10.981 10.486 ( -1.600 9.743 -3.466) 10.464 10.486 ( -1.600 9.743 3.466) 10.464 10.912 ( 1.897 -9.798 -4.958) 11.144 10.912 ( 1.897 -9.798 4.958) 11.144 11.735 ( 1.009 12.517 -2.044) 12.723 11.735 ( 1.009 12.517 2.044) 12.723 12.067 ( -0.082 2.217 -1.417) 2.632 12.067 ( -0.082 2.217 1.417) 2.632 12.206 ( -16.267 4.446 -0.702) 16.878 12.206 ( -16.267 4.446 0.702) 16.878 12.815 ( 8.443 1.557 -0.446) 8.597 12.815 ( 8.443 1.557 0.446) 8.597 14.647 ( 2.161 4.591 -1.644) 5.334 14.647 ( 2.161 4.591 1.644) 5.334 16.157 ( -1.515 -0.674 -3.537) 3.907 16.157 ( -1.515 -0.674 3.537) 3.907 17.268 ( -0.699 -3.847 -1.907) 4.350 17.268 ( -0.699 -3.847 1.907) 4.350 18.994 ( 2.791 -5.140 -1.329) 5.998 18.994 ( 2.791 -5.140 1.329) 5.998 20.405 ( -2.159 -14.050 -2.269) 14.395 20.405 ( -2.159 -14.050 2.269) 14.395 ======================= Grid point 389 (126/144) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.316 23.907 -1.196) 23.939 2.171 ( -0.316 23.907 1.196) 23.939 2.318 ( -1.857 -1.632 -2.171) 3.291 2.318 ( -1.857 -1.632 2.171) 3.291 2.750 ( 1.718 16.845 -1.355) 16.986 2.750 ( 1.718 16.845 1.355) 16.986 2.906 ( -4.341 6.400 -2.162) 8.030 2.906 ( -4.341 6.400 2.162) 8.030 4.109 ( 19.347 -5.343 -2.593) 20.237 4.109 ( 19.347 -5.343 2.593) 20.237 4.547 ( -16.253 -3.684 -3.019) 16.936 4.547 ( -16.253 -3.684 3.019) 16.936 6.390 ( -0.019 15.362 -0.054) 15.362 6.390 ( -0.019 15.362 0.054) 15.362 7.332 ( -0.618 -1.337 -4.212) 4.462 7.332 ( -0.618 -1.337 4.212) 4.462 8.156 ( 1.414 23.866 -1.914) 23.984 8.156 ( 1.414 23.866 1.914) 23.984 8.681 ( -0.114 -7.366 -0.570) 7.389 8.681 ( -0.114 -7.366 0.570) 7.389 9.158 ( -0.472 12.801 -1.313) 12.877 9.158 ( -0.472 12.801 1.313) 12.877 9.621 ( -0.070 -16.624 -0.286) 16.626 9.621 ( -0.070 -16.624 0.286) 16.626 10.302 ( 7.660 -3.143 -5.135) 9.743 10.302 ( 7.660 -3.143 5.135) 9.743 10.440 ( -3.480 11.439 -1.746) 12.084 10.440 ( -3.480 11.439 1.746) 12.084 10.954 ( 1.969 -14.341 -1.534) 14.556 10.954 ( 1.969 -14.341 1.534) 14.556 11.774 ( 4.044 12.682 -4.207) 13.960 11.774 ( 4.044 12.682 4.207) 13.960 11.922 ( -12.446 7.136 -2.122) 14.503 11.922 ( -12.446 7.136 2.122) 14.503 12.075 ( -0.046 2.907 -0.063) 2.909 12.075 ( -0.046 2.907 0.063) 2.909 12.923 ( 3.153 0.618 -0.338) 3.231 12.923 ( 3.153 0.618 0.338) 3.231 14.683 ( 1.339 4.656 -0.907) 4.929 14.683 ( 1.339 4.656 0.907) 4.929 16.131 ( -0.993 0.097 -1.559) 1.851 16.131 ( -0.993 0.097 1.559) 1.851 17.256 ( -0.393 -4.145 -0.754) 4.231 17.256 ( -0.393 -4.145 0.754) 4.231 19.042 ( 1.785 -5.554 -0.765) 5.884 19.042 ( 1.785 -5.554 0.765) 5.884 20.367 ( -1.414 -13.643 -1.198) 13.768 20.367 ( -1.414 -13.643 1.198) 13.768 ======================= Grid point 395 (127/144) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.000 2.052 -6.050) 6.388 2.417 ( 0.000 2.052 6.050) 6.388 2.724 ( 0.000 17.113 -9.369) 19.510 2.724 ( 0.000 17.113 9.369) 19.510 2.920 ( 0.000 9.372 -0.168) 9.373 2.920 ( 0.000 9.372 0.168) 9.373 3.356 ( 0.000 15.682 -1.207) 15.729 3.356 ( 0.000 15.682 1.207) 15.729 3.578 ( 0.000 13.727 -5.011) 14.613 3.578 ( 0.000 13.727 5.011) 14.613 4.799 ( 0.000 -5.384 -1.444) 5.574 4.799 ( 0.000 -5.384 1.444) 5.574 6.768 ( 0.000 20.770 -1.941) 20.860 6.768 ( 0.000 20.770 1.941) 20.860 7.365 ( 0.000 0.583 -8.927) 8.946 7.365 ( 0.000 0.583 8.927) 8.946 8.344 ( 0.000 7.228 -3.351) 7.967 8.344 ( 0.000 7.228 3.351) 7.967 8.827 ( 0.000 11.556 -3.906) 12.199 8.827 ( 0.000 11.556 3.906) 12.199 9.322 ( 0.000 -7.607 -6.459) 9.979 9.322 ( 0.000 -7.607 6.459) 9.979 9.443 ( 0.000 7.051 -2.136) 7.368 9.443 ( 0.000 7.051 2.136) 7.368 9.902 ( 0.000 -10.893 -4.391) 11.744 9.902 ( 0.000 -10.893 4.391) 11.744 10.492 ( 0.000 -4.747 -4.368) 6.451 10.492 ( 0.000 -4.747 4.368) 6.451 10.967 ( 0.000 9.600 -6.631) 11.667 10.967 ( 0.000 9.600 6.631) 11.667 11.933 ( 0.000 6.132 -0.547) 6.156 11.933 ( 0.000 6.132 0.547) 6.156 12.166 ( 0.000 8.470 -0.300) 8.475 12.166 ( 0.000 8.470 0.300) 8.475 12.501 ( 0.000 7.937 -2.692) 8.381 12.501 ( 0.000 7.937 2.692) 8.381 12.819 ( 0.000 11.295 -4.122) 12.023 12.819 ( 0.000 11.295 4.122) 12.023 14.717 ( 0.000 3.926 -2.802) 4.823 14.717 ( 0.000 3.926 2.802) 4.823 16.142 ( 0.000 -1.893 -5.581) 5.893 16.142 ( 0.000 -1.893 5.581) 5.893 17.170 ( 0.000 -6.710 -2.686) 7.227 17.170 ( 0.000 -6.710 2.686) 7.227 18.832 ( 0.000 -8.090 -0.972) 8.148 18.832 ( 0.000 -8.090 0.972) 8.148 20.042 ( 0.000 -23.140 -0.173) 23.140 20.042 ( 0.000 -23.140 0.173) 23.140 ======================= Grid point 397 (128/144) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -4.136 1.374 -5.253) 6.826 2.374 ( -4.136 1.374 5.253) 6.826 2.656 ( -4.768 13.504 -4.095) 14.895 2.656 ( -4.768 13.504 4.095) 14.895 3.001 ( 6.464 16.411 -3.626) 18.007 3.001 ( 6.464 16.411 3.626) 18.007 3.303 ( -4.264 20.290 -1.787) 20.810 3.303 ( -4.264 20.290 1.787) 20.810 3.733 ( 14.529 6.317 -4.356) 16.431 3.733 ( 14.529 6.317 4.356) 16.431 4.702 ( -10.241 -5.050 -1.899) 11.575 4.702 ( -10.241 -5.050 1.899) 11.575 6.769 ( 0.090 20.937 -1.563) 20.996 6.769 ( 0.090 20.937 1.563) 20.996 7.350 ( -1.371 0.807 -7.440) 7.608 7.350 ( -1.371 0.807 7.440) 7.608 8.400 ( 5.692 5.515 -9.766) 12.577 8.400 ( 5.692 5.515 9.766) 12.577 8.795 ( -3.468 12.731 -4.759) 14.027 8.795 ( -3.468 12.731 4.759) 14.027 9.325 ( 0.352 -7.583 -7.714) 10.823 9.325 ( 0.352 -7.583 7.714) 10.823 9.413 ( -2.506 6.443 -3.914) 7.944 9.413 ( -2.506 6.443 3.914) 7.944 9.989 ( 8.132 -10.816 -5.669) 14.672 9.989 ( 8.132 -10.816 5.669) 14.672 10.524 ( 3.523 -3.461 -4.030) 6.374 10.524 ( 3.523 -3.461 4.030) 6.374 10.916 ( -5.414 7.320 -5.168) 10.469 10.916 ( -5.414 7.320 5.168) 10.469 11.926 ( -1.121 4.592 -5.489) 7.244 11.926 ( -1.121 4.592 5.489) 7.244 12.166 ( 0.158 8.735 -0.741) 8.768 12.166 ( 0.158 8.735 0.741) 8.768 12.389 ( -9.112 14.259 -8.797) 19.072 12.389 ( -9.112 14.259 8.797) 19.072 12.892 ( 5.424 7.238 -2.298) 9.332 12.892 ( 5.424 7.238 2.298) 9.332 14.740 ( 2.241 3.964 -2.646) 5.267 14.740 ( 2.241 3.964 2.646) 5.267 16.139 ( -0.235 -1.058 -4.712) 4.835 16.139 ( -0.235 -1.058 4.712) 4.835 17.157 ( -1.226 -7.068 -2.220) 7.509 17.157 ( -1.226 -7.068 2.220) 7.509 18.854 ( 2.135 -8.499 -1.172) 8.841 18.854 ( 2.135 -8.499 1.172) 8.841 20.027 ( -1.530 -22.757 -1.469) 22.855 20.027 ( -1.530 -22.757 1.469) 22.855 ======================= Grid point 399 (129/144) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -2.382 0.774 -2.153) 3.303 2.306 ( -2.382 0.774 2.153) 3.303 2.594 ( -1.790 12.672 -0.744) 12.820 2.594 ( -1.790 12.672 0.744) 12.820 3.116 ( 6.095 21.130 -4.053) 22.362 3.116 ( 6.095 21.130 4.053) 22.362 3.218 ( -5.114 22.738 -3.538) 23.573 3.218 ( -5.114 22.738 3.538) 23.573 4.026 ( 15.318 -0.012 -3.049) 15.618 4.026 ( 15.318 -0.012 3.049) 15.618 4.466 ( -13.601 -3.995 -2.166) 14.340 4.466 ( -13.601 -3.995 2.166) 14.340 6.771 ( 0.057 21.194 -0.592) 21.202 6.771 ( 0.057 21.194 0.592) 21.202 7.329 ( -0.720 1.073 -2.904) 3.179 7.329 ( -0.720 1.073 2.904) 3.179 8.516 ( 5.775 -1.024 -9.323) 11.014 8.516 ( 5.775 -1.024 9.323) 11.014 8.714 ( -4.591 18.404 -6.228) 19.964 8.714 ( -4.591 18.404 6.228) 19.964 9.335 ( 0.686 -7.693 -7.296) 10.625 9.335 ( 0.686 -7.693 7.296) 10.625 9.374 ( -1.576 6.336 -5.720) 8.680 9.374 ( -1.576 6.336 5.720) 8.680 10.124 ( 4.854 -11.805 -2.878) 13.085 10.124 ( 4.854 -11.805 2.878) 13.085 10.620 ( 6.833 2.206 -3.298) 7.902 10.620 ( 6.833 2.206 3.298) 7.902 10.789 ( -7.811 0.228 -3.068) 8.395 10.789 ( -7.811 0.228 3.068) 8.395 11.891 ( -2.023 1.686 -5.270) 5.891 11.891 ( -2.023 1.686 5.270) 5.891 12.179 ( 1.362 10.186 -2.970) 10.697 12.179 ( 1.362 10.186 2.970) 10.697 12.255 ( -4.798 20.550 -8.501) 22.751 12.255 ( -4.798 20.550 8.501) 22.751 12.965 ( 2.218 4.350 -0.557) 4.915 12.965 ( 2.218 4.350 0.557) 4.915 14.777 ( 1.340 3.948 -1.230) 4.347 14.777 ( 1.340 3.948 1.230) 4.347 16.135 ( -0.154 0.378 -1.928) 1.971 16.135 ( -0.154 0.378 1.928) 1.971 17.137 ( -0.742 -7.700 -0.875) 7.785 17.137 ( -0.742 -7.700 0.875) 7.785 18.891 ( 1.359 -9.186 -0.653) 9.309 18.891 ( 1.359 -9.186 0.653) 9.309 20.000 ( -1.000 -22.104 -0.944) 22.147 20.000 ( -1.000 -22.104 0.944) 22.147 ======================= Grid point 405 (130/144) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 0.000 3.775 -5.626) 6.775 2.475 ( 0.000 3.775 5.626) 6.775 2.764 ( 0.000 -4.141 -5.128) 6.592 2.764 ( 0.000 -4.141 5.128) 6.592 3.076 ( 0.000 2.593 -7.462) 7.900 3.076 ( 0.000 2.593 7.462) 7.900 3.853 ( 0.000 29.450 -1.227) 29.476 3.853 ( 0.000 29.450 1.227) 29.476 3.954 ( 0.000 19.281 -3.783) 19.649 3.954 ( 0.000 19.281 3.783) 19.649 4.755 ( 0.000 3.566 -0.831) 3.662 4.755 ( 0.000 3.566 0.831) 3.662 7.147 ( 0.000 15.075 -6.429) 16.388 7.147 ( 0.000 15.075 6.429) 16.388 7.397 ( 0.000 3.250 -0.994) 3.399 7.397 ( 0.000 3.250 0.994) 3.399 8.483 ( 0.000 8.376 -7.164) 11.022 8.483 ( 0.000 8.376 7.164) 11.022 8.840 ( 0.000 -6.830 -4.557) 8.211 8.840 ( 0.000 -6.830 4.557) 8.211 9.350 ( 0.000 -0.525 -9.799) 9.813 9.350 ( 0.000 -0.525 9.799) 9.813 9.479 ( 0.000 2.468 -7.545) 7.938 9.479 ( 0.000 2.468 7.545) 7.938 9.757 ( 0.000 -2.118 -7.662) 7.949 9.757 ( 0.000 -2.118 7.662) 7.949 10.432 ( 0.000 -1.503 -2.911) 3.276 10.432 ( 0.000 -1.503 2.911) 3.276 11.110 ( 0.000 3.699 -5.913) 6.975 11.110 ( 0.000 3.699 5.913) 6.975 11.945 ( 0.000 -4.049 -3.382) 5.275 11.945 ( 0.000 -4.049 3.382) 5.275 12.416 ( 0.000 15.984 -2.308) 16.149 12.416 ( 0.000 15.984 2.308) 16.149 12.707 ( 0.000 12.031 -4.743) 12.932 12.707 ( 0.000 12.031 4.743) 12.932 13.156 ( 0.000 21.274 -4.037) 21.653 13.156 ( 0.000 21.274 4.037) 21.653 14.764 ( 0.000 0.789 -3.652) 3.736 14.764 ( 0.000 0.789 3.652) 3.736 16.103 ( 0.000 -1.749 -8.055) 8.243 16.103 ( 0.000 -1.749 8.055) 8.243 17.019 ( 0.000 -8.125 -3.508) 8.850 17.019 ( 0.000 -8.125 3.508) 8.850 18.655 ( 0.000 -9.477 -0.941) 9.523 18.655 ( 0.000 -9.477 0.941) 9.523 19.551 ( 0.000 -25.261 -1.767) 25.323 19.551 ( 0.000 -25.261 1.767) 25.323 ======================= Grid point 407 (131/144) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -4.504 3.696 -4.804) 7.552 2.424 ( -4.504 3.696 4.804) 7.552 2.740 ( -1.813 -0.468 -3.829) 4.262 2.740 ( -1.813 -0.468 3.829) 4.262 3.179 ( 9.132 0.320 -7.995) 12.141 3.179 ( 9.132 0.320 7.995) 12.141 3.826 ( -2.277 28.481 -2.419) 28.675 3.826 ( -2.277 28.481 2.419) 28.675 4.022 ( 7.029 18.444 -1.236) 19.777 4.022 ( 7.029 18.444 1.236) 19.777 4.667 ( -9.339 4.397 -1.974) 10.510 4.667 ( -9.339 4.397 1.974) 10.510 7.155 ( 0.783 15.707 -5.658) 16.714 7.155 ( 0.783 15.707 5.658) 16.714 7.388 ( -0.868 3.385 -3.709) 5.096 7.388 ( -0.868 3.385 3.709) 5.096 8.477 ( -0.441 4.527 -8.650) 9.773 8.477 ( -0.441 4.527 8.650) 9.773 8.842 ( -0.023 -5.971 -3.861) 7.110 8.842 ( -0.023 -5.971 3.861) 7.110 9.361 ( 1.463 3.146 -10.451) 11.012 9.361 ( 1.463 3.146 10.451) 11.012 9.481 ( -0.396 4.117 -8.211) 9.194 9.481 ( -0.396 4.117 8.211) 9.194 9.817 ( 6.110 -4.868 -6.309) 10.041 9.817 ( 6.110 -4.868 6.309) 10.041 10.470 ( 4.296 -1.781 -3.116) 5.598 10.470 ( 4.296 -1.781 3.116) 5.598 11.030 ( -8.345 2.912 -4.463) 9.901 11.030 ( -8.345 2.912 4.463) 9.901 11.921 ( -2.435 -4.052 -5.667) 7.380 11.921 ( -2.435 -4.052 5.667) 7.380 12.419 ( 0.466 15.655 -3.522) 16.053 12.419 ( 0.466 15.655 3.522) 16.053 12.707 ( -0.205 16.046 -12.855) 20.561 12.707 ( -0.205 16.046 12.855) 20.561 13.142 ( -1.146 17.791 -4.364) 18.354 13.142 ( -1.146 17.791 4.364) 18.354 14.788 ( 2.197 0.739 -3.215) 3.963 14.788 ( 2.197 0.739 3.215) 3.963 16.120 ( 1.643 -0.712 -6.796) 7.028 16.120 ( 1.643 -0.712 6.796) 7.028 16.998 ( -2.076 -8.587 -3.003) 9.330 16.998 ( -2.076 -8.587 3.003) 9.330 18.669 ( 1.317 -9.886 -0.943) 10.018 18.669 ( 1.317 -9.886 0.943) 10.018 19.543 ( -0.775 -24.894 -1.835) 24.974 19.543 ( -0.775 -24.894 1.835) 24.974 ======================= Grid point 409 (132/144) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -2.183 4.327 -1.970) 5.231 2.357 ( -2.183 4.327 1.970) 5.231 2.715 ( -0.809 2.162 -1.224) 2.613 2.715 ( -0.809 2.162 1.224) 2.613 3.324 ( 5.108 -0.814 -4.123) 6.615 3.324 ( 5.108 -0.814 4.123) 6.615 3.787 ( -1.577 28.983 -2.234) 29.112 3.787 ( -1.577 28.983 2.234) 29.112 4.200 ( 12.378 13.720 -3.183) 18.751 4.200 ( 12.378 13.720 3.183) 18.751 4.447 ( -13.990 7.056 -3.080) 15.969 4.447 ( -13.990 7.056 3.080) 15.969 7.169 ( 0.539 17.002 -2.531) 17.198 7.169 ( 0.539 17.002 2.531) 17.198 7.373 ( -0.580 3.210 -2.363) 4.028 7.373 ( -0.580 3.210 2.363) 4.028 8.472 ( -0.081 -0.697 -4.338) 4.395 8.472 ( -0.081 -0.697 4.338) 4.395 8.838 ( -0.293 -4.916 -1.702) 5.211 8.838 ( -0.293 -4.916 1.702) 5.211 9.402 ( 2.792 8.031 -9.659) 12.868 9.402 ( 2.792 8.031 9.659) 12.868 9.455 ( -2.282 5.033 -8.519) 10.155 9.455 ( -2.282 5.033 8.519) 10.155 9.927 ( 4.209 -6.839 -2.616) 8.446 9.927 ( 4.209 -6.839 2.616) 8.446 10.588 ( 8.117 -2.641 -2.594) 8.921 10.588 ( 8.117 -2.641 2.594) 8.921 10.843 ( -10.673 1.620 -2.668) 11.120 10.843 ( -10.673 1.620 2.668) 11.120 11.876 ( -1.791 -3.262 -3.439) 5.067 11.876 ( -1.791 -3.262 3.439) 5.067 12.430 ( 0.459 14.687 -2.230) 14.863 12.430 ( 0.459 14.687 2.230) 14.863 12.699 ( -0.414 22.247 -7.795) 23.577 12.699 ( -0.414 22.247 7.795) 23.577 13.128 ( -0.376 12.391 -2.198) 12.590 13.128 ( -0.376 12.391 2.198) 12.590 14.823 ( 1.227 0.543 -1.371) 1.918 14.823 ( 1.227 0.543 1.371) 1.918 16.149 ( 1.141 1.169 -2.789) 3.232 16.149 ( 1.141 1.169 2.789) 3.232 16.961 ( -1.373 -9.515 -1.270) 9.697 16.961 ( -1.373 -9.515 1.270) 9.697 18.691 ( 0.829 -10.570 -0.469) 10.613 18.691 ( 0.829 -10.570 0.469) 10.613 19.529 ( -0.502 -24.273 -0.914) 24.296 19.529 ( -0.502 -24.273 0.914) 24.296 ======================= Grid point 415 (133/144) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 0.000 4.648 -2.172) 5.130 2.563 ( 0.000 4.648 2.172) 5.130 2.679 ( 0.000 -3.325 -4.199) 5.356 2.679 ( 0.000 -3.325 4.199) 5.356 3.079 ( 0.000 -1.325 -6.684) 6.814 3.079 ( 0.000 -1.325 6.684) 6.814 4.060 ( 0.000 -2.429 -1.679) 2.953 4.060 ( 0.000 -2.429 1.679) 2.953 4.517 ( 0.000 30.416 -4.739) 30.783 4.517 ( 0.000 30.416 4.739) 30.783 5.012 ( 0.000 20.183 -0.216) 20.185 5.012 ( 0.000 20.183 0.216) 20.184 7.317 ( 0.000 3.742 -4.417) 5.789 7.317 ( 0.000 3.742 4.417) 5.789 7.495 ( 0.000 4.002 -4.144) 5.761 7.495 ( 0.000 4.002 4.144) 5.761 8.673 ( 0.000 9.255 -3.889) 10.039 8.673 ( 0.000 9.255 3.889) 10.039 8.752 ( 0.000 -0.527 -3.881) 3.916 8.752 ( 0.000 -0.527 3.881) 3.916 9.228 ( 0.000 -3.357 -5.959) 6.839 9.228 ( 0.000 -3.357 5.959) 6.839 9.593 ( 0.000 3.597 -9.197) 9.875 9.593 ( 0.000 3.597 9.197) 9.875 9.743 ( 0.000 -0.124 -1.730) 1.735 9.743 ( 0.000 -0.124 1.730) 1.735 10.415 ( 0.000 -0.390 -2.779) 2.806 10.415 ( 0.000 -0.390 2.779) 2.806 11.117 ( 0.000 -2.533 -3.444) 4.275 11.117 ( 0.000 -2.533 3.444) 4.275 11.806 ( 0.000 -9.379 -4.238) 10.291 11.806 ( 0.000 -9.379 4.238) 10.291 12.749 ( 0.000 16.171 -6.675) 17.494 12.749 ( 0.000 16.171 6.675) 17.494 12.974 ( 0.000 14.464 -0.823) 14.487 12.974 ( 0.000 14.464 0.823) 14.487 13.588 ( 0.000 20.507 -2.526) 20.663 13.588 ( 0.000 20.507 2.526) 20.663 14.756 ( 0.000 -1.217 -4.041) 4.221 14.756 ( 0.000 -1.217 4.041) 4.221 16.078 ( 0.000 -0.675 -10.766) 10.787 16.078 ( 0.000 -0.675 10.766) 10.787 16.862 ( 0.000 -7.174 -4.722) 8.589 16.862 ( 0.000 -7.174 4.722) 8.589 18.462 ( 0.000 -9.824 -0.610) 9.843 18.462 ( 0.000 -9.824 0.610) 9.843 19.064 ( 0.000 -23.189 -1.776) 23.257 19.064 ( 0.000 -23.189 1.776) 23.257 ======================= Grid point 417 (134/144) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -3.432 5.247 -3.073) 6.982 2.516 ( -3.432 5.247 3.073) 6.982 2.709 ( 1.719 -1.886 -4.214) 4.926 2.709 ( 1.719 -1.886 4.214) 4.926 3.133 ( 5.301 -3.511 -8.888) 10.929 3.133 ( 5.301 -3.511 8.888) 10.929 4.052 ( -0.809 -2.780 -3.620) 4.635 4.052 ( -0.809 -2.780 3.620) 4.635 4.534 ( 1.922 29.684 -4.194) 30.040 4.534 ( 1.922 29.684 4.194) 30.040 4.953 ( -5.966 21.568 -1.169) 22.408 4.953 ( -5.966 21.568 1.169) 22.408 7.336 ( 2.055 3.861 -5.191) 6.788 7.336 ( 2.055 3.861 5.191) 6.788 7.484 ( -1.259 3.971 -6.014) 7.316 7.484 ( -1.259 3.971 6.014) 7.316 8.602 ( -5.537 7.836 -2.744) 9.979 8.602 ( -5.537 7.836 2.744) 9.979 8.751 ( -0.293 -1.721 -3.140) 3.593 8.751 ( -0.293 -1.721 3.140) 3.593 9.332 ( 8.552 0.318 -7.097) 11.118 9.332 ( 8.552 0.318 7.097) 11.118 9.606 ( 1.293 3.830 -8.255) 9.191 9.606 ( 1.293 3.830 8.255) 9.191 9.766 ( 2.881 -1.009 -1.614) 3.453 9.766 ( 2.881 -1.009 1.614) 3.453 10.444 ( 3.354 -0.885 -2.667) 4.375 10.444 ( 3.354 -0.885 2.667) 4.375 11.031 ( -9.069 -2.464 -2.815) 9.810 11.031 ( -9.069 -2.464 2.815) 9.810 11.787 ( -1.790 -9.118 -5.001) 10.552 11.787 ( -1.790 -9.118 5.001) 10.552 12.740 ( -0.652 15.671 -6.830) 17.107 12.740 ( -0.652 15.671 6.830) 17.107 13.020 ( 4.444 15.429 -11.285) 19.625 13.020 ( 4.444 15.429 11.285) 19.625 13.533 ( -5.377 19.524 -3.519) 20.554 13.533 ( -5.377 19.524 3.519) 20.554 14.777 ( 1.839 -1.536 -3.428) 4.182 14.777 ( 1.839 -1.536 3.428) 4.182 16.116 ( 3.760 0.365 -9.358) 10.092 16.116 ( 3.760 0.365 9.358) 10.092 16.832 ( -3.040 -7.589 -4.424) 9.296 16.832 ( -3.040 -7.589 4.424) 9.296 18.468 ( 0.631 -10.117 -0.542) 10.151 18.468 ( 0.631 -10.117 0.542) 10.151 19.062 ( -0.186 -22.957 -1.585) 23.012 19.062 ( -0.186 -22.957 1.585) 23.012 ======================= Grid point 419 (135/144) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -1.322 6.782 -1.508) 7.073 2.471 ( -1.322 6.782 1.508) 7.073 2.725 ( 0.295 -0.662 -1.781) 1.923 2.725 ( 0.295 -0.662 1.781) 1.923 3.226 ( 3.535 -6.658 -4.696) 8.882 3.226 ( 3.535 -6.658 4.696) 8.882 4.035 ( -0.782 -3.216 -2.468) 4.129 4.035 ( -0.782 -3.216 2.468) 4.129 4.582 ( 2.745 27.222 -2.313) 27.458 4.582 ( 2.745 27.222 2.313) 27.458 4.836 ( -5.231 25.102 -1.312) 25.675 4.836 ( -5.231 25.102 1.312) 25.675 7.384 ( 2.914 4.494 -6.130) 8.140 7.384 ( 2.914 4.494 6.130) 8.140 7.449 ( -2.475 3.442 -6.862) 8.065 7.449 ( -2.475 3.442 6.862) 8.065 8.527 ( -2.276 6.363 -0.984) 6.829 8.527 ( -2.276 6.363 0.984) 6.829 8.745 ( -0.258 -2.107 -1.264) 2.470 8.745 ( -0.258 -2.107 1.264) 2.470 9.445 ( 3.123 2.881 -3.104) 5.262 9.445 ( 3.123 2.881 3.104) 5.262 9.626 ( 0.552 5.640 -3.385) 6.601 9.626 ( 0.552 5.640 3.385) 6.601 9.839 ( 3.636 -2.630 -0.795) 4.558 9.839 ( 3.636 -2.630 0.795) 4.558 10.542 ( 6.835 -1.852 -1.704) 7.283 10.542 ( 6.835 -1.852 1.704) 7.283 10.830 ( -10.847 -2.555 -2.150) 11.349 10.830 ( -10.847 -2.555 2.150) 11.349 11.758 ( -1.042 -8.507 -2.526) 8.935 11.758 ( -1.042 -8.507 2.526) 8.935 12.732 ( -0.220 15.127 -2.865) 15.397 12.732 ( -0.220 15.127 2.865) 15.397 13.100 ( 3.227 17.391 -7.619) 19.259 13.100 ( 3.227 17.391 7.619) 19.259 13.437 ( -3.868 17.352 -3.246) 18.072 13.437 ( -3.868 17.352 3.246) 18.072 14.805 ( 0.925 -2.119 -1.389) 2.697 14.805 ( 0.925 -2.119 1.389) 2.697 16.185 ( 2.778 2.440 -4.159) 5.565 16.185 ( 2.778 2.440 4.159) 5.565 16.776 ( -2.304 -8.694 -2.251) 9.272 16.776 ( -2.304 -8.694 2.251) 9.272 18.479 ( 0.392 -10.597 -0.238) 10.607 18.479 ( 0.392 -10.597 0.238) 10.607 19.059 ( -0.121 -22.570 -0.691) 22.581 19.059 ( -0.121 -22.570 0.691) 22.581 ======================= Grid point 425 (136/144) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 0.000 -0.949 -4.768) 4.862 2.598 ( 0.000 -0.949 4.768) 4.862 2.698 ( 0.000 4.672 -1.563) 4.926 2.698 ( 0.000 4.672 1.563) 4.926 3.044 ( 0.000 -1.641 -2.390) 2.899 3.044 ( 0.000 -1.641 2.390) 2.899 3.926 ( 0.000 -9.310 -3.247) 9.860 3.926 ( 0.000 -9.310 3.247) 9.860 5.068 ( 0.000 24.570 -5.266) 25.128 5.068 ( 0.000 24.570 5.266) 25.128 5.431 ( 0.000 19.802 -0.206) 19.803 5.431 ( 0.000 19.802 0.206) 19.803 7.363 ( 0.000 1.191 -1.004) 1.558 7.363 ( 0.000 1.191 1.004) 1.558 7.495 ( 0.000 -3.257 -10.581) 11.071 7.495 ( 0.000 -3.257 10.581) 11.071 8.758 ( 0.000 -0.354 -0.924) 0.989 8.758 ( 0.000 -0.354 0.924) 0.989 8.851 ( 0.000 10.401 -1.876) 10.569 8.851 ( 0.000 10.401 1.876) 10.569 9.316 ( 0.000 9.187 -6.430) 11.213 9.316 ( 0.000 9.187 6.430) 11.213 9.623 ( 0.000 1.484 -7.785) 7.925 9.623 ( 0.000 1.484 7.785) 7.925 9.746 ( 0.000 0.444 -4.603) 4.624 9.746 ( 0.000 0.444 4.603) 4.624 10.417 ( 0.000 0.762 -2.452) 2.568 10.417 ( 0.000 0.762 2.452) 2.568 11.030 ( 0.000 -5.640 -1.308) 5.790 11.030 ( 0.000 -5.640 1.308) 5.790 11.582 ( 0.000 -12.982 -3.802) 13.527 11.582 ( 0.000 -12.982 3.802) 13.527 13.033 ( 0.000 12.163 -8.365) 14.762 13.033 ( 0.000 12.163 8.365) 14.762 13.258 ( 0.000 13.407 -1.230) 13.464 13.258 ( 0.000 13.407 1.230) 13.464 13.935 ( 0.000 13.896 -2.919) 14.199 13.935 ( 0.000 13.896 2.919) 14.199 14.729 ( 0.000 -1.293 -4.398) 4.584 14.729 ( 0.000 -1.293 4.398) 4.584 16.075 ( 0.000 0.177 -12.250) 12.251 16.075 ( 0.000 0.177 12.250) 12.251 16.746 ( 0.000 -4.288 -5.672) 7.110 16.746 ( 0.000 -4.288 5.672) 7.110 18.271 ( 0.000 -9.131 -0.474) 9.143 18.271 ( 0.000 -9.131 0.474) 9.143 18.637 ( 0.000 -19.469 -0.204) 19.471 18.637 ( 0.000 -19.470 0.204) 19.471 ======================= Grid point 427 (137/144) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 0.200 1.842 -5.470) 5.776 2.599 ( 0.200 1.842 5.470) 5.776 2.702 ( 0.258 2.223 -2.458) 3.325 2.702 ( 0.258 2.223 2.458) 3.325 3.067 ( 2.367 -2.474 -6.240) 7.118 3.067 ( 2.367 -2.474 6.240) 7.118 3.915 ( -1.167 -9.355 -3.829) 10.176 3.915 ( -1.167 -9.355 3.829) 10.176 5.079 ( 1.287 24.487 -4.533) 24.937 5.079 ( 1.287 24.487 4.533) 24.937 5.390 ( -4.140 20.360 -0.539) 20.783 5.390 ( -4.140 20.360 0.539) 20.783 7.376 ( 1.366 0.542 -2.038) 2.512 7.376 ( 1.366 0.542 2.038) 2.512 7.487 ( -0.951 -2.966 -9.932) 10.409 7.487 ( -0.951 -2.966 9.932) 10.409 8.734 ( -2.553 2.729 -4.389) 5.765 8.734 ( -2.553 2.729 4.389) 5.765 8.813 ( -2.362 10.090 -2.158) 10.585 8.813 ( -2.362 10.090 2.158) 10.585 9.432 ( 9.769 7.197 -10.434) 16.003 9.432 ( 9.769 7.197 10.434) 16.003 9.624 ( 0.504 0.098 -7.536) 7.554 9.624 ( 0.504 0.098 7.536) 7.554 9.769 ( 2.449 1.400 -5.077) 5.808 9.769 ( 2.449 1.400 5.077) 5.808 10.438 ( 2.526 0.436 -2.082) 3.302 10.438 ( 2.526 0.436 2.082) 3.302 10.951 ( -8.483 -5.103 -1.914) 10.083 10.951 ( -8.483 -5.103 1.914) 10.083 11.567 ( -1.378 -12.832 -4.076) 13.535 11.567 ( -1.378 -12.832 4.076) 13.535 13.026 ( -0.584 12.718 -8.029) 15.051 13.026 ( -0.584 12.718 8.029) 15.051 13.302 ( 4.223 12.323 -10.014) 16.431 13.302 ( 4.223 12.323 10.014) 16.431 13.877 ( -5.668 14.608 -3.929) 16.154 13.877 ( -5.668 14.608 3.929) 16.154 14.737 ( 0.670 -2.314 -3.685) 4.403 14.737 ( 0.670 -2.314 3.685) 4.403 16.132 ( 5.751 1.048 -11.097) 12.543 16.132 ( 5.751 1.048 11.097) 12.543 16.709 ( -3.903 -4.588 -5.869) 8.410 16.709 ( -3.903 -4.588 5.869) 8.410 18.273 ( 0.204 -9.285 -0.465) 9.299 18.273 ( 0.204 -9.285 0.465) 9.299 18.639 ( 0.129 -19.365 -0.258) 19.367 18.639 ( 0.129 -19.365 0.258) 19.367 ======================= Grid point 429 (138/144) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 0.290 5.803 -2.894) 6.491 2.605 ( 0.290 5.803 2.894) 6.491 2.703 ( -0.075 -1.039 -1.608) 1.916 2.703 ( -0.075 -1.039 1.608) 1.916 3.110 ( 1.675 -4.070 -3.824) 5.830 3.110 ( 1.675 -4.070 3.824) 5.830 3.893 ( -0.878 -9.327 -2.167) 9.615 3.893 ( -0.878 -9.327 2.167) 9.615 5.110 ( 1.628 24.210 -2.158) 24.361 5.110 ( 1.628 24.210 2.158) 24.361 5.311 ( -3.350 21.416 -0.660) 21.687 5.311 ( -3.350 21.416 0.660) 21.687 7.408 ( 1.974 -1.182 -3.930) 4.554 7.408 ( 1.974 -1.182 3.930) 4.554 7.460 ( -1.777 -1.798 -6.998) 7.441 7.460 ( -1.777 -1.798 6.998) 7.441 8.693 ( -1.349 8.972 -2.181) 9.332 8.693 ( -1.349 8.972 2.181) 9.332 8.788 ( -0.641 6.588 -1.479) 6.782 8.788 ( -0.641 6.588 1.479) 6.782 9.551 ( 2.317 5.939 -3.923) 7.486 9.551 ( 2.317 5.939 3.923) 7.486 9.656 ( 2.253 -1.736 -3.481) 4.495 9.656 ( 2.253 -1.736 3.481) 4.495 9.825 ( 2.870 2.276 -2.820) 4.623 9.825 ( 2.870 2.276 2.820) 4.623 10.521 ( 6.539 -0.086 -0.857) 6.595 10.521 ( 6.539 -0.086 0.857) 6.595 10.758 ( -10.909 -4.288 -2.262) 11.938 10.758 ( -10.909 -4.288 2.262) 11.938 11.545 ( -0.711 -12.571 -1.903) 12.734 11.545 ( -0.711 -12.571 1.903) 12.734 13.018 ( -0.185 13.341 -3.394) 13.767 13.018 ( -0.185 13.341 3.394) 13.767 13.378 ( 3.104 10.396 -6.690) 12.746 13.378 ( 3.104 10.396 6.690) 12.746 13.775 ( -4.026 16.119 -3.153) 16.911 13.775 ( -4.026 16.119 3.153) 16.911 14.746 ( 0.260 -3.726 -1.466) 4.013 14.746 ( 0.260 -3.726 1.466) 4.013 16.243 ( 4.858 3.179 -5.854) 8.245 16.243 ( 4.858 3.179 5.854) 8.245 16.628 ( -3.754 -5.907 -3.910) 8.017 16.628 ( -3.754 -5.907 3.910) 8.017 18.276 ( 0.126 -9.533 -0.218) 9.536 18.276 ( 0.126 -9.533 0.218) 9.536 18.641 ( 0.079 -19.195 -0.138) 19.196 18.641 ( 0.079 -19.195 0.138) 19.196 ======================= Grid point 435 (139/144) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 0.000 0.943 -3.075) 3.216 2.595 ( 0.000 0.943 3.075) 3.216 2.760 ( 0.000 0.208 -6.086) 6.089 2.760 ( 0.000 0.208 6.086) 6.089 3.055 ( 0.000 3.923 -2.281) 4.538 3.055 ( 0.000 3.923 2.281) 4.538 3.721 ( 0.000 -10.847 -3.424) 11.375 3.721 ( 0.000 -10.847 3.424) 11.375 5.488 ( 0.000 17.383 -5.090) 18.113 5.488 ( 0.000 17.383 5.090) 18.113 5.754 ( 0.000 12.035 -0.254) 12.038 5.754 ( 0.000 12.035 0.254) 12.038 7.351 ( 0.000 -2.645 -0.365) 2.671 7.351 ( 0.000 -2.645 0.365) 2.671 7.422 ( 0.000 -2.732 -6.887) 7.409 7.422 ( 0.000 -2.732 6.887) 7.409 8.765 ( 0.000 1.566 -3.328) 3.677 8.765 ( 0.000 1.566 3.328) 3.677 9.091 ( 0.000 12.764 -0.487) 12.773 9.091 ( 0.000 12.764 0.487) 12.773 9.414 ( 0.000 0.418 -8.568) 8.578 9.414 ( 0.000 0.418 8.568) 8.578 9.641 ( 0.000 -2.651 -1.379) 2.988 9.641 ( 0.000 -2.651 1.379) 2.988 9.862 ( 0.000 12.940 -3.850) 13.501 9.862 ( 0.000 12.940 3.850) 13.501 10.451 ( 0.000 2.498 -1.728) 3.037 10.451 ( 0.000 2.498 1.728) 3.037 10.913 ( 0.000 -5.567 -0.288) 5.575 10.913 ( 0.000 -5.567 0.288) 5.575 11.299 ( 0.000 -15.051 -2.463) 15.251 11.299 ( 0.000 -15.051 2.463) 15.251 13.227 ( 0.000 7.258 -6.091) 9.475 13.227 ( 0.000 7.258 6.091) 9.475 13.489 ( 0.000 9.422 -0.342) 9.428 13.489 ( 0.000 9.422 0.342) 9.428 14.140 ( 0.000 6.881 -3.733) 7.829 14.140 ( 0.000 6.881 3.733) 7.829 14.711 ( 0.000 -0.427 -4.198) 4.220 14.711 ( 0.000 -0.427 4.198) 4.220 16.079 ( 0.000 0.129 -10.198) 10.199 16.079 ( 0.000 0.129 10.198) 10.199 16.692 ( 0.000 -1.318 -4.872) 5.047 16.692 ( 0.000 -1.318 4.872) 5.047 18.111 ( 0.000 -6.491 -2.531) 6.967 18.111 ( 0.000 -6.491 2.531) 6.967 18.299 ( 0.000 -14.120 -2.403) 14.323 18.299 ( 0.000 -14.120 2.403) 14.323 ======================= Grid point 437 (140/144) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 1.869 0.707 -4.473) 4.899 2.612 ( 1.869 0.707 4.473) 4.899 2.747 ( -1.500 0.244 -6.572) 6.746 2.747 ( -1.500 0.244 6.572) 6.746 3.072 ( 1.607 3.825 -3.163) 5.217 3.072 ( 1.607 3.825 3.163) 5.217 3.709 ( -1.202 -10.928 -3.559) 11.556 3.709 ( -1.202 -10.928 3.559) 11.556 5.497 ( 1.042 17.214 -4.374) 17.791 5.497 ( 1.042 17.214 4.374) 17.791 5.722 ( -3.200 12.463 -0.093) 12.868 5.722 ( -3.200 12.463 0.093) 12.868 7.356 ( 0.445 -2.520 -3.303) 4.178 7.356 ( 0.445 -2.520 3.303) 4.178 7.417 ( -0.528 -2.949 -7.234) 7.830 7.417 ( -0.528 -2.949 7.234) 7.830 8.793 ( 2.954 3.702 -4.247) 6.361 8.793 ( 2.954 3.702 4.247) 6.361 9.052 ( -3.732 12.475 -2.072) 13.185 9.052 ( -3.732 12.475 2.072) 13.185 9.475 ( 5.468 -1.800 -10.588) 12.052 9.475 ( 5.468 -1.800 10.588) 12.052 9.630 ( -1.019 -2.277 -3.285) 4.125 9.630 ( -1.019 -2.277 3.285) 4.125 9.904 ( 4.202 12.695 -3.367) 13.790 9.904 ( 4.202 12.695 3.367) 13.790 10.464 ( 1.741 1.971 -1.399) 2.979 10.464 ( 1.741 1.971 1.399) 2.979 10.847 ( -7.017 -4.650 -2.013) 8.655 10.847 ( -7.017 -4.650 2.013) 8.655 11.287 ( -1.085 -14.872 -2.713) 15.157 11.287 ( -1.085 -14.872 2.713) 15.157 13.236 ( 0.912 8.232 -6.768) 10.696 13.236 ( 0.912 8.232 6.768) 10.696 13.500 ( 0.987 7.401 -7.921) 10.885 13.500 ( 0.987 7.401 7.921) 10.885 14.114 ( -2.520 9.319 -4.444) 10.628 14.114 ( -2.520 9.319 4.444) 10.628 14.689 ( -2.044 -2.398 -3.761) 4.907 14.689 ( -2.044 -2.398 3.761) 4.907 16.150 ( 7.228 0.655 -9.576) 12.015 16.150 ( 7.228 0.655 9.576) 12.015 16.650 ( -4.533 -1.485 -5.458) 7.249 16.650 ( -4.533 -1.485 5.458) 7.249 18.111 ( 0.045 -6.500 -2.076) 6.824 18.111 ( 0.045 -6.500 2.076) 6.824 18.302 ( 0.240 -14.109 -1.923) 14.241 18.302 ( 0.240 -14.109 1.923) 14.241 ======================= Grid point 439 (141/144) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 2.690 0.037 -6.188) 6.747 2.656 ( 2.690 0.037 6.188) 6.747 2.709 ( -2.444 0.615 -6.867) 7.315 2.709 ( -2.444 0.615 6.867) 7.315 3.100 ( 1.063 3.643 -1.850) 4.222 3.100 ( 1.063 3.643 1.850) 4.222 3.687 ( -0.840 -11.053 -1.850) 11.238 3.687 ( -0.840 -11.053 1.850) 11.238 5.522 ( 1.352 16.822 -2.089) 17.005 5.522 ( 1.352 16.822 2.089) 17.005 5.662 ( -2.638 13.286 -0.445) 13.552 5.662 ( -2.638 13.286 0.445) 13.552 7.364 ( 0.350 -2.569 -2.819) 3.830 7.364 ( 0.350 -2.569 2.819) 3.830 7.407 ( -0.437 -3.041 -4.252) 5.246 7.407 ( -0.437 -3.041 4.252) 5.246 8.861 ( 3.843 8.069 -4.229) 9.888 8.861 ( 3.843 8.069 4.230) 9.888 8.977 ( -3.981 10.710 -3.462) 11.939 8.977 ( -3.981 10.710 3.462) 11.939 9.566 ( 3.810 -3.952 -9.428) 10.909 9.566 ( 3.810 -3.952 9.428) 10.909 9.609 ( -1.401 -2.826 -5.872) 6.666 9.609 ( -1.401 -2.826 5.872) 6.666 9.982 ( 3.140 12.358 -1.234) 12.810 9.982 ( 3.140 12.358 1.234) 12.810 10.530 ( 6.026 -0.160 -0.449) 6.045 10.530 ( 6.026 -0.160 0.449) 6.045 10.684 ( -9.929 -1.802 -2.472) 10.389 10.684 ( -9.929 -1.802 2.472) 10.389 11.270 ( -0.562 -14.678 -1.265) 14.743 11.270 ( -0.562 -14.678 1.265) 14.743 13.253 ( 0.655 10.018 -3.672) 10.690 13.253 ( 0.655 10.018 3.672) 10.690 13.515 ( 0.542 3.597 -5.447) 6.550 13.515 ( 0.542 3.597 5.447) 6.550 14.071 ( -1.602 13.442 -2.586) 13.782 14.071 ( -1.602 13.442 2.586) 13.782 14.656 ( -1.119 -5.293 -1.630) 5.650 14.656 ( -1.119 -5.293 1.630) 5.650 16.301 ( 7.729 2.319 -6.697) 10.487 16.301 ( 7.729 2.319 6.697) 10.487 16.543 ( -6.201 -2.689 -5.220) 8.540 16.543 ( -6.201 -2.690 5.220) 8.541 18.112 ( 0.030 -6.514 -0.810) 6.564 18.112 ( 0.030 -6.514 0.810) 6.564 18.306 ( 0.146 -14.092 -0.722) 14.112 18.306 ( 0.146 -14.092 0.722) 14.112 ======================= Grid point 445 (142/144) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 0.000 2.836 -0.168) 2.841 2.635 ( 0.000 2.836 0.168) 2.841 2.716 ( 0.000 -3.424 -3.551) 4.933 2.716 ( 0.000 -3.424 3.551) 4.933 3.180 ( 0.000 6.501 -0.661) 6.534 3.180 ( 0.000 6.501 0.661) 6.534 3.519 ( 0.000 -8.074 -1.893) 8.293 3.519 ( 0.000 -8.074 1.893) 8.293 5.744 ( 0.000 7.589 -2.822) 8.097 5.744 ( 0.000 7.589 2.822) 8.097 5.900 ( 0.000 2.804 -0.802) 2.917 5.900 ( 0.000 2.804 0.802) 2.917 7.295 ( 0.000 -1.839 -1.402) 2.312 7.295 ( 0.000 -1.839 1.402) 2.312 7.388 ( 0.000 -0.946 -0.718) 1.187 7.388 ( 0.000 -0.946 0.718) 1.187 8.805 ( 0.000 1.581 -1.598) 2.248 8.805 ( 0.000 1.581 1.598) 2.248 9.317 ( 0.000 7.947 -2.820) 8.432 9.317 ( 0.000 7.947 2.820) 8.432 9.411 ( 0.000 1.559 -1.763) 2.353 9.411 ( 0.000 1.559 1.763) 2.353 9.541 ( 0.000 -6.705 -1.028) 6.783 9.541 ( 0.000 -6.705 1.028) 6.783 10.115 ( 0.000 9.024 -1.302) 9.118 10.115 ( 0.000 9.024 1.302) 9.118 10.498 ( 0.000 1.455 -0.546) 1.554 10.498 ( 0.000 1.455 0.546) 1.554 10.853 ( 0.000 1.288 -0.820) 1.527 10.853 ( 0.000 1.288 0.820) 1.527 11.011 ( 0.000 -12.569 -0.630) 12.585 11.011 ( 0.000 -12.569 0.630) 12.585 13.322 ( 0.000 2.348 -2.125) 3.167 13.322 ( 0.000 2.348 2.125) 3.167 13.621 ( 0.000 3.494 -0.232) 3.501 13.621 ( 0.000 3.494 0.232) 3.501 14.223 ( 0.000 1.833 -1.957) 2.682 14.223 ( 0.000 1.833 1.957) 2.682 14.709 ( 0.000 0.034 -1.877) 1.877 14.709 ( 0.000 0.034 1.877) 1.877 16.080 ( 0.000 -0.010 -3.976) 3.976 16.080 ( 0.000 -0.010 3.976) 3.976 16.682 ( 0.000 -0.079 -1.897) 1.899 16.682 ( 0.000 -0.079 1.897) 1.899 18.029 ( 0.000 -1.376 -4.232) 4.450 18.029 ( 0.000 -1.376 4.232) 4.450 18.091 ( 0.000 -6.336 -4.268) 7.640 18.091 ( 0.000 -6.336 4.268) 7.640 ======================= Grid point 447 (143/144) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 0.836 2.236 -0.788) 2.514 2.643 ( 0.836 2.236 0.788) 2.514 2.710 ( -0.686 -2.875 -3.766) 4.787 2.710 ( -0.686 -2.875 3.766) 4.787 3.200 ( 1.985 7.087 -1.045) 7.433 3.200 ( 1.985 7.087 1.045) 7.433 3.501 ( -1.859 -8.744 -2.073) 9.177 3.501 ( -1.859 -8.744 2.073) 9.177 5.750 ( 0.617 7.444 -2.439) 7.857 5.750 ( 0.617 7.444 2.439) 7.857 5.875 ( -2.452 3.028 -0.573) 3.938 5.875 ( -2.452 3.028 0.573) 3.938 7.306 ( 1.012 -1.627 -1.865) 2.674 7.306 ( 1.012 -1.627 1.865) 2.674 7.378 ( -1.010 -1.062 -1.689) 2.236 7.378 ( -1.010 -1.062 1.689) 2.236 8.862 ( 5.988 2.369 -2.055) 6.760 8.862 ( 5.988 2.369 2.055) 6.760 9.265 ( -4.881 7.179 -1.484) 8.807 9.265 ( -4.881 7.179 1.484) 8.807 9.448 ( 2.866 0.787 -3.952) 4.945 9.448 ( 2.866 0.787 3.952) 4.945 9.539 ( -0.221 -5.932 -1.611) 6.151 9.539 ( -0.221 -5.932 1.611) 6.151 10.152 ( 3.829 9.085 -0.893) 9.900 10.152 ( 3.829 9.085 0.893) 9.900 10.488 ( -1.160 -0.319 -0.662) 1.373 10.488 ( -1.160 -0.319 0.662) 1.373 10.817 ( -3.585 3.361 -1.865) 5.257 10.817 ( -3.585 3.361 1.865) 5.257 11.000 ( -1.111 -12.958 -1.412) 13.082 11.000 ( -1.111 -12.958 1.412) 13.082 13.347 ( 2.665 2.824 -2.730) 4.746 13.347 ( 2.665 2.824 2.730) 4.746 13.597 ( -2.585 2.398 -3.176) 4.745 13.597 ( -2.585 2.398 3.176) 4.745 14.246 ( 2.494 3.640 -2.420) 5.032 14.246 ( 2.494 3.640 2.420) 5.032 14.648 ( -5.937 -1.353 -2.024) 6.417 14.648 ( -5.937 -1.353 2.024) 6.417 16.157 ( 7.903 0.146 -3.789) 8.766 16.157 ( 7.903 0.146 3.789) 8.766 16.637 ( -4.821 -0.130 -2.215) 5.307 16.637 ( -4.821 -0.130 2.215) 5.307 18.031 ( 0.203 -1.170 -3.524) 3.718 18.031 ( 0.203 -1.170 3.524) 3.718 18.093 ( 0.112 -6.525 -3.532) 7.420 18.093 ( 0.112 -6.525 3.532) 7.420 ======================= Grid point 449 (144/144) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 1.099 0.857 -1.752) 2.239 2.662 ( 1.099 0.857 1.752) 2.239 2.693 ( -0.996 -1.587 -2.997) 3.535 2.693 ( -0.996 -1.587 2.997) 3.535 3.237 ( 1.593 8.967 -0.847) 9.147 3.237 ( 1.593 8.967 0.847) 9.147 3.465 ( -1.531 -10.748 -1.267) 10.931 3.465 ( -1.531 -10.748 1.267) 10.931 5.767 ( 1.093 7.267 -1.251) 7.455 5.767 ( 1.093 7.267 1.251) 7.455 5.828 ( -2.170 3.342 -0.203) 3.989 5.828 ( -2.170 3.342 0.203) 3.989 7.326 ( 1.099 -0.967 -2.121) 2.578 7.326 ( 1.099 -0.967 2.121) 2.578 7.357 ( -1.147 -1.589 -2.130) 2.895 7.357 ( -1.147 -1.589 2.130) 2.895 8.998 ( 8.190 4.656 -2.622) 9.779 8.998 ( 8.190 4.656 2.622) 9.779 9.154 ( -7.087 5.580 -2.326) 9.315 9.154 ( -7.087 5.580 2.326) 9.315 9.493 ( 1.820 -1.623 -3.557) 4.313 9.493 ( 1.820 -1.623 3.557) 4.313 9.531 ( -0.612 -4.232 -2.191) 4.804 9.531 ( -0.612 -4.232 2.191) 4.804 10.231 ( 3.708 10.820 -0.177) 11.439 10.231 ( 3.708 10.820 0.177) 11.439 10.458 ( -1.747 -6.206 -0.505) 6.467 10.458 ( -1.747 -6.206 0.505) 6.467 10.752 ( -2.525 8.303 -1.262) 8.770 10.752 ( -2.525 8.303 1.262) 8.770 10.981 ( -0.687 -13.735 -0.812) 13.777 10.981 ( -0.687 -13.735 0.812) 13.777 13.408 ( 3.341 5.066 -2.879) 6.716 13.408 ( 3.341 5.066 2.879) 6.716 13.537 ( -3.314 -0.745 -3.411) 4.814 13.537 ( -3.314 -0.745 3.411) 4.814 14.302 ( 2.956 9.104 -1.820) 9.744 14.302 ( 2.956 9.104 1.820) 9.744 14.537 ( -4.854 -6.182 -1.538) 8.009 14.537 ( -4.854 -6.182 1.538) 8.009 16.330 ( 10.168 0.655 -3.291) 10.707 16.330 ( 10.168 0.655 3.291) 10.707 16.514 ( -8.468 -0.520 -2.741) 8.916 16.514 ( -8.468 -0.520 2.742) 8.916 18.035 ( 0.125 -0.828 -1.408) 1.638 18.035 ( 0.125 -0.828 1.408) 1.638 18.094 ( 0.070 -6.837 -1.398) 6.979 18.094 ( 0.070 -6.837 1.398) 6.979 =================== 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 3/36000 10.0 3532.361 2879.855 3017.774 0.000 0.000 0.000 3/36000 20.0 891.497 807.956 787.589 0.000 0.000 0.000 3/36000 30.0 344.713 433.403 319.674 0.000 0.000 -0.000 3/36000 40.0 189.350 277.336 175.187 0.000 0.000 -0.000 3/36000 50.0 120.044 181.612 107.904 0.000 0.000 -0.000 3/36000 60.0 81.477 121.226 70.972 0.000 0.000 -0.000 3/36000 70.0 58.186 84.367 49.402 0.000 0.000 -0.000 3/36000 80.0 43.457 61.679 36.179 0.000 0.000 -0.000 3/36000 90.0 33.752 47.213 27.678 0.000 0.000 -0.000 3/36000 100.0 27.103 37.585 21.964 0.000 0.000 -0.000 3/36000 110.0 22.381 30.901 17.969 0.000 0.000 -0.000 3/36000 120.0 18.916 26.083 15.077 0.000 0.000 -0.000 3/36000 130.0 16.301 22.492 12.918 0.000 0.000 -0.000 3/36000 140.0 14.277 19.738 11.263 0.000 0.000 -0.000 3/36000 150.0 12.675 17.573 9.965 0.000 0.000 -0.000 3/36000 160.0 11.384 15.834 8.926 0.000 0.000 -0.000 3/36000 170.0 10.325 14.411 8.079 0.000 0.000 -0.000 3/36000 180.0 9.443 13.227 7.378 0.000 0.000 -0.000 3/36000 190.0 8.699 12.229 6.789 0.000 0.000 -0.000 3/36000 200.0 8.064 11.376 6.289 0.000 0.000 -0.000 3/36000 210.0 7.516 10.640 5.859 0.000 0.000 -0.000 3/36000 220.0 7.040 9.997 5.485 0.000 0.000 -0.000 3/36000 230.0 6.621 9.432 5.158 0.000 0.000 -0.000 3/36000 240.0 6.251 8.930 4.870 0.000 0.000 -0.000 3/36000 250.0 5.921 8.482 4.613 0.000 0.000 -0.000 3/36000 260.0 5.625 8.080 4.383 0.000 0.000 -0.000 3/36000 270.0 5.359 7.716 4.177 0.000 0.000 -0.000 3/36000 280.0 5.118 7.385 3.989 0.000 0.000 -0.000 3/36000 290.0 4.898 7.084 3.819 0.000 0.000 -0.000 3/36000 300.0 4.697 6.807 3.664 0.000 0.000 -0.000 3/36000 310.0 4.513 6.552 3.521 0.000 0.000 -0.000 3/36000 320.0 4.343 6.317 3.389 0.000 0.000 -0.000 3/36000 330.0 4.186 6.099 3.268 0.000 0.000 -0.000 3/36000 340.0 4.040 5.896 3.155 0.000 0.000 -0.000 3/36000 350.0 3.905 5.707 3.050 0.000 0.000 -0.000 3/36000 360.0 3.779 5.530 2.953 0.000 0.000 -0.000 3/36000 370.0 3.661 5.365 2.861 0.000 0.000 -0.000 3/36000 380.0 3.550 5.209 2.776 0.000 0.000 -0.000 3/36000 390.0 3.446 5.063 2.696 0.000 0.000 -0.000 3/36000 400.0 3.349 4.925 2.620 0.000 0.000 -0.000 3/36000 410.0 3.257 4.794 2.549 0.000 0.000 -0.000 3/36000 420.0 3.170 4.671 2.481 0.000 0.000 -0.000 3/36000 430.0 3.087 4.554 2.417 0.000 0.000 -0.000 3/36000 440.0 3.009 4.443 2.357 0.000 0.000 -0.000 3/36000 450.0 2.936 4.337 2.300 0.000 0.000 -0.000 3/36000 460.0 2.865 4.237 2.245 0.000 0.000 -0.000 3/36000 470.0 2.798 4.141 2.193 0.000 0.000 -0.000 3/36000 480.0 2.735 4.050 2.144 0.000 0.000 -0.000 3/36000 490.0 2.674 3.962 2.096 0.000 0.000 -0.000 3/36000 500.0 2.616 3.879 2.051 0.000 0.000 -0.000 3/36000 510.0 2.560 3.799 2.008 0.000 0.000 -0.000 3/36000 520.0 2.507 3.722 1.967 0.000 0.000 -0.000 3/36000 530.0 2.456 3.649 1.927 0.000 0.000 -0.000 3/36000 540.0 2.407 3.578 1.889 0.000 0.000 -0.000 3/36000 550.0 2.360 3.510 1.853 0.000 0.000 -0.000 3/36000 560.0 2.315 3.445 1.818 0.000 0.000 -0.000 3/36000 570.0 2.272 3.382 1.784 0.000 0.000 -0.000 3/36000 580.0 2.230 3.321 1.752 0.000 0.000 -0.000 3/36000 590.0 2.190 3.263 1.720 0.000 0.000 -0.000 3/36000 600.0 2.152 3.207 1.690 0.000 0.000 -0.000 3/36000 610.0 2.114 3.152 1.661 0.000 0.000 -0.000 3/36000 620.0 2.078 3.100 1.633 0.000 0.000 -0.000 3/36000 630.0 2.044 3.049 1.606 0.000 0.000 -0.000 3/36000 640.0 2.010 3.000 1.580 0.000 0.000 -0.000 3/36000 650.0 1.978 2.952 1.554 0.000 0.000 -0.000 3/36000 660.0 1.946 2.906 1.530 0.000 0.000 -0.000 3/36000 670.0 1.916 2.862 1.506 0.000 0.000 -0.000 3/36000 680.0 1.886 2.819 1.483 0.000 0.000 -0.000 3/36000 690.0 1.858 2.777 1.461 0.000 0.000 -0.000 3/36000 700.0 1.830 2.736 1.439 0.000 0.000 -0.000 3/36000 710.0 1.803 2.697 1.418 0.000 0.000 -0.000 3/36000 720.0 1.777 2.658 1.398 0.000 0.000 -0.000 3/36000 730.0 1.752 2.621 1.378 0.000 0.000 -0.000 3/36000 740.0 1.727 2.585 1.359 0.000 0.000 -0.000 3/36000 750.0 1.703 2.550 1.340 0.000 0.000 -0.000 3/36000 760.0 1.680 2.515 1.322 0.000 0.000 -0.000 3/36000 770.0 1.657 2.482 1.304 0.000 0.000 -0.000 3/36000 780.0 1.635 2.450 1.287 0.000 0.000 -0.000 3/36000 790.0 1.614 2.418 1.270 0.000 0.000 -0.000 3/36000 800.0 1.593 2.387 1.254 0.000 0.000 -0.000 3/36000 810.0 1.573 2.357 1.238 0.000 0.000 -0.000 3/36000 820.0 1.553 2.328 1.223 0.000 0.000 -0.000 3/36000 830.0 1.534 2.299 1.207 0.000 0.000 -0.000 3/36000 840.0 1.515 2.272 1.193 0.000 0.000 -0.000 3/36000 850.0 1.497 2.245 1.178 0.000 0.000 -0.000 3/36000 860.0 1.479 2.218 1.164 0.000 0.000 -0.000 3/36000 870.0 1.461 2.192 1.151 0.000 0.000 -0.000 3/36000 880.0 1.444 2.167 1.137 0.000 0.000 -0.000 3/36000 890.0 1.428 2.142 1.124 0.000 0.000 -0.000 3/36000 900.0 1.411 2.118 1.111 0.000 0.000 -0.000 3/36000 910.0 1.395 2.094 1.099 0.000 0.000 -0.000 3/36000 920.0 1.380 2.071 1.087 0.000 0.000 -0.000 3/36000 930.0 1.365 2.049 1.075 0.000 0.000 -0.000 3/36000 940.0 1.350 2.027 1.063 0.000 0.000 -0.000 3/36000 950.0 1.335 2.005 1.052 0.000 0.000 -0.000 3/36000 960.0 1.321 1.984 1.041 0.000 0.000 -0.000 3/36000 970.0 1.307 1.963 1.030 0.000 0.000 -0.000 3/36000 980.0 1.294 1.943 1.019 0.000 0.000 -0.000 3/36000 990.0 1.280 1.923 1.009 0.000 0.000 -0.000 3/36000 1000.0 1.267 1.904 0.998 0.000 0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m51510.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:41:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|