----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:11:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.395443550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.626170500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.476335000000000 Atomic positions (fractional): *1 Li 0.04856433864874 0.25000000000000 0.57397156189253 6.941 2 Li 0.95143566135126 0.75000000000000 0.42602843810747 6.941 3 Li 0.45143566135126 0.75000000000000 0.07397156189253 6.941 4 Li 0.54856433864874 0.25000000000000 0.92602843810747 6.941 *5 N 0.09313475968622 0.75000000000000 0.74142773891701 14.007 6 N 0.59313475968622 0.75000000000000 0.75857226108299 14.007 7 N 0.90686524031378 0.25000000000000 0.25857226108299 14.007 8 N 0.40686524031378 0.25000000000000 0.24142773891701 14.007 *9 Ca 0.65604586672820 0.25000000000000 0.47326773196578 40.078 10 Ca 0.84395413327180 0.75000000000000 0.97326773196578 40.078 11 Ca 0.15604586672820 0.25000000000000 0.02673226803422 40.078 12 Ca 0.34395413327180 0.75000000000000 0.52673226803422 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.395443550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.626170500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.476335000000000 Atomic positions (fractional): *1 Li 0.04856433864874 0.25000000000000 0.57397156189253 6.941 > 1 2 Li 0.95143566135126 0.75000000000000 0.42602843810747 6.941 > 2 3 Li 0.45143566135126 0.75000000000000 0.07397156189253 6.941 > 3 4 Li 0.54856433864874 0.25000000000000 0.92602843810747 6.941 > 4 *5 N 0.09313475968622 0.75000000000000 0.74142773891701 14.007 > 5 6 N 0.59313475968622 0.75000000000000 0.75857226108299 14.007 > 6 7 N 0.90686524031378 0.25000000000000 0.25857226108299 14.007 > 7 8 N 0.40686524031378 0.25000000000000 0.24142773891701 14.007 > 8 *9 Ca 0.65604586672820 0.25000000000000 0.47326773196578 40.078 > 9 10 Ca 0.84395413327180 0.75000000000000 0.97326773196578 40.078 > 10 11 Ca 0.15604586672820 0.25000000000000 0.02673226803422 40.078 > 11 12 Ca 0.34395413327180 0.75000000000000 0.52673226803422 40.078 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.790887099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.878511500000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.952669999999999 Atomic positions (fractional): *1 Li 0.02428216932437 0.08333333333333 0.28698578094626 6.941 > 1 2 Li 0.52428216932437 0.08333333333333 0.28698578094626 6.941 > 1 3 Li 0.02428216932437 0.41666666666667 0.28698578094626 6.941 > 1 4 Li 0.52428216932437 0.41666666666667 0.28698578094626 6.941 > 1 5 Li 0.02428216932437 0.75000000000000 0.28698578094626 6.941 > 1 6 Li 0.52428216932437 0.75000000000000 0.28698578094626 6.941 > 1 7 Li 0.02428216932437 0.08333333333333 0.78698578094626 6.941 > 1 8 Li 0.52428216932437 0.08333333333333 0.78698578094626 6.941 > 1 9 Li 0.02428216932437 0.41666666666667 0.78698578094626 6.941 > 1 10 Li 0.52428216932437 0.41666666666667 0.78698578094626 6.941 > 1 11 Li 0.02428216932437 0.75000000000000 0.78698578094626 6.941 > 1 12 Li 0.52428216932437 0.75000000000000 0.78698578094626 6.941 > 1 13 Li 0.47571783067563 0.25000000000000 0.21301421905374 6.941 > 2 14 Li 0.97571783067563 0.25000000000000 0.21301421905374 6.941 > 2 15 Li 0.47571783067563 0.58333333333333 0.21301421905374 6.941 > 2 16 Li 0.97571783067563 0.58333333333333 0.21301421905374 6.941 > 2 17 Li 0.47571783067563 0.91666666666667 0.21301421905374 6.941 > 2 18 Li 0.97571783067563 0.91666666666667 0.21301421905374 6.941 > 2 19 Li 0.47571783067563 0.25000000000000 0.71301421905374 6.941 > 2 20 Li 0.97571783067563 0.25000000000000 0.71301421905374 6.941 > 2 21 Li 0.47571783067563 0.58333333333333 0.71301421905374 6.941 > 2 22 Li 0.97571783067563 0.58333333333333 0.71301421905374 6.941 > 2 23 Li 0.47571783067563 0.91666666666667 0.71301421905374 6.941 > 2 24 Li 0.97571783067563 0.91666666666667 0.71301421905374 6.941 > 2 25 Li 0.22571783067563 0.25000000000000 0.03698578094626 6.941 > 3 26 Li 0.72571783067563 0.25000000000000 0.03698578094626 6.941 > 3 27 Li 0.22571783067563 0.58333333333333 0.03698578094626 6.941 > 3 28 Li 0.72571783067563 0.58333333333333 0.03698578094626 6.941 > 3 29 Li 0.22571783067563 0.91666666666667 0.03698578094626 6.941 > 3 30 Li 0.72571783067563 0.91666666666667 0.03698578094626 6.941 > 3 31 Li 0.22571783067563 0.25000000000000 0.53698578094626 6.941 > 3 32 Li 0.72571783067563 0.25000000000000 0.53698578094626 6.941 > 3 33 Li 0.22571783067563 0.58333333333333 0.53698578094626 6.941 > 3 34 Li 0.72571783067563 0.58333333333333 0.53698578094626 6.941 > 3 35 Li 0.22571783067563 0.91666666666667 0.53698578094626 6.941 > 3 36 Li 0.72571783067563 0.91666666666667 0.53698578094626 6.941 > 3 37 Li 0.27428216932437 0.08333333333333 0.46301421905374 6.941 > 4 38 Li 0.77428216932437 0.08333333333333 0.46301421905374 6.941 > 4 39 Li 0.27428216932437 0.41666666666667 0.46301421905374 6.941 > 4 40 Li 0.77428216932437 0.41666666666667 0.46301421905374 6.941 > 4 41 Li 0.27428216932437 0.75000000000000 0.46301421905374 6.941 > 4 42 Li 0.77428216932437 0.75000000000000 0.46301421905374 6.941 > 4 43 Li 0.27428216932437 0.08333333333333 0.96301421905374 6.941 > 4 44 Li 0.77428216932437 0.08333333333333 0.96301421905374 6.941 > 4 45 Li 0.27428216932437 0.41666666666667 0.96301421905374 6.941 > 4 46 Li 0.77428216932437 0.41666666666667 0.96301421905374 6.941 > 4 47 Li 0.27428216932437 0.75000000000000 0.96301421905374 6.941 > 4 48 Li 0.77428216932437 0.75000000000000 0.96301421905374 6.941 > 4 *49 N 0.04656737984311 0.25000000000000 0.37071386945851 14.007 > 5 50 N 0.54656737984311 0.25000000000000 0.37071386945851 14.007 > 5 51 N 0.04656737984311 0.58333333333333 0.37071386945851 14.007 > 5 52 N 0.54656737984311 0.58333333333333 0.37071386945851 14.007 > 5 53 N 0.04656737984311 0.91666666666667 0.37071386945851 14.007 > 5 54 N 0.54656737984311 0.91666666666667 0.37071386945851 14.007 > 5 55 N 0.04656737984311 0.25000000000000 0.87071386945851 14.007 > 5 56 N 0.54656737984311 0.25000000000000 0.87071386945851 14.007 > 5 57 N 0.04656737984311 0.58333333333333 0.87071386945851 14.007 > 5 58 N 0.54656737984311 0.58333333333333 0.87071386945851 14.007 > 5 59 N 0.04656737984311 0.91666666666667 0.87071386945851 14.007 > 5 60 N 0.54656737984311 0.91666666666667 0.87071386945851 14.007 > 5 61 N 0.29656737984311 0.25000000000000 0.37928613054149 14.007 > 6 62 N 0.79656737984311 0.25000000000000 0.37928613054149 14.007 > 6 63 N 0.29656737984311 0.58333333333333 0.37928613054149 14.007 > 6 64 N 0.79656737984311 0.58333333333333 0.37928613054149 14.007 > 6 65 N 0.29656737984311 0.91666666666667 0.37928613054149 14.007 > 6 66 N 0.79656737984311 0.91666666666667 0.37928613054149 14.007 > 6 67 N 0.29656737984311 0.25000000000000 0.87928613054149 14.007 > 6 68 N 0.79656737984311 0.25000000000000 0.87928613054149 14.007 > 6 69 N 0.29656737984311 0.58333333333333 0.87928613054149 14.007 > 6 70 N 0.79656737984311 0.58333333333333 0.87928613054149 14.007 > 6 71 N 0.29656737984311 0.91666666666667 0.87928613054149 14.007 > 6 72 N 0.79656737984311 0.91666666666667 0.87928613054149 14.007 > 6 73 N 0.45343262015689 0.08333333333333 0.12928613054149 14.007 > 7 74 N 0.95343262015689 0.08333333333333 0.12928613054149 14.007 > 7 75 N 0.45343262015689 0.41666666666667 0.12928613054149 14.007 > 7 76 N 0.95343262015689 0.41666666666667 0.12928613054149 14.007 > 7 77 N 0.45343262015689 0.75000000000000 0.12928613054149 14.007 > 7 78 N 0.95343262015689 0.75000000000000 0.12928613054149 14.007 > 7 79 N 0.45343262015689 0.08333333333333 0.62928613054149 14.007 > 7 80 N 0.95343262015689 0.08333333333333 0.62928613054149 14.007 > 7 81 N 0.45343262015689 0.41666666666667 0.62928613054149 14.007 > 7 82 N 0.95343262015689 0.41666666666667 0.62928613054149 14.007 > 7 83 N 0.45343262015689 0.75000000000000 0.62928613054149 14.007 > 7 84 N 0.95343262015689 0.75000000000000 0.62928613054149 14.007 > 7 85 N 0.20343262015689 0.08333333333333 0.12071386945851 14.007 > 8 86 N 0.70343262015689 0.08333333333333 0.12071386945851 14.007 > 8 87 N 0.20343262015689 0.41666666666667 0.12071386945851 14.007 > 8 88 N 0.70343262015689 0.41666666666667 0.12071386945851 14.007 > 8 89 N 0.20343262015689 0.75000000000000 0.12071386945851 14.007 > 8 90 N 0.70343262015689 0.75000000000000 0.12071386945851 14.007 > 8 91 N 0.20343262015689 0.08333333333333 0.62071386945851 14.007 > 8 92 N 0.70343262015689 0.08333333333333 0.62071386945851 14.007 > 8 93 N 0.20343262015689 0.41666666666667 0.62071386945851 14.007 > 8 94 N 0.70343262015689 0.41666666666667 0.62071386945851 14.007 > 8 95 N 0.20343262015689 0.75000000000000 0.62071386945851 14.007 > 8 96 N 0.70343262015689 0.75000000000000 0.62071386945851 14.007 > 8 *97 Ca 0.32802293336410 0.08333333333333 0.23663386598289 40.078 > 9 98 Ca 0.82802293336410 0.08333333333333 0.23663386598289 40.078 > 9 99 Ca 0.32802293336410 0.41666666666667 0.23663386598289 40.078 > 9 100 Ca 0.82802293336410 0.41666666666667 0.23663386598289 40.078 > 9 101 Ca 0.32802293336410 0.75000000000000 0.23663386598289 40.078 > 9 102 Ca 0.82802293336410 0.75000000000000 0.23663386598289 40.078 > 9 103 Ca 0.32802293336410 0.08333333333333 0.73663386598289 40.078 > 9 104 Ca 0.82802293336410 0.08333333333333 0.73663386598289 40.078 > 9 105 Ca 0.32802293336410 0.41666666666667 0.73663386598289 40.078 > 9 106 Ca 0.82802293336410 0.41666666666667 0.73663386598289 40.078 > 9 107 Ca 0.32802293336410 0.75000000000000 0.73663386598289 40.078 > 9 108 Ca 0.82802293336410 0.75000000000000 0.73663386598289 40.078 > 9 109 Ca 0.42197706663590 0.25000000000000 0.48663386598289 40.078 > 10 110 Ca 0.92197706663590 0.25000000000000 0.48663386598289 40.078 > 10 111 Ca 0.42197706663590 0.58333333333333 0.48663386598289 40.078 > 10 112 Ca 0.92197706663590 0.58333333333333 0.48663386598289 40.078 > 10 113 Ca 0.42197706663590 0.91666666666667 0.48663386598289 40.078 > 10 114 Ca 0.92197706663590 0.91666666666667 0.48663386598289 40.078 > 10 115 Ca 0.42197706663590 0.25000000000000 0.98663386598289 40.078 > 10 116 Ca 0.92197706663590 0.25000000000000 0.98663386598289 40.078 > 10 117 Ca 0.42197706663590 0.58333333333333 0.98663386598289 40.078 > 10 118 Ca 0.92197706663590 0.58333333333333 0.98663386598289 40.078 > 10 119 Ca 0.42197706663590 0.91666666666667 0.98663386598289 40.078 > 10 120 Ca 0.92197706663590 0.91666666666667 0.98663386598289 40.078 > 10 121 Ca 0.07802293336410 0.08333333333333 0.01336613401711 40.078 > 11 122 Ca 0.57802293336410 0.08333333333333 0.01336613401711 40.078 > 11 123 Ca 0.07802293336410 0.41666666666667 0.01336613401711 40.078 > 11 124 Ca 0.57802293336410 0.41666666666667 0.01336613401711 40.078 > 11 125 Ca 0.07802293336410 0.75000000000000 0.01336613401711 40.078 > 11 126 Ca 0.57802293336410 0.75000000000000 0.01336613401711 40.078 > 11 127 Ca 0.07802293336410 0.08333333333333 0.51336613401711 40.078 > 11 128 Ca 0.57802293336410 0.08333333333333 0.51336613401711 40.078 > 11 129 Ca 0.07802293336410 0.41666666666667 0.51336613401711 40.078 > 11 130 Ca 0.57802293336410 0.41666666666667 0.51336613401711 40.078 > 11 131 Ca 0.07802293336410 0.75000000000000 0.51336613401711 40.078 > 11 132 Ca 0.57802293336410 0.75000000000000 0.51336613401711 40.078 > 11 133 Ca 0.17197706663590 0.25000000000000 0.26336613401711 40.078 > 12 134 Ca 0.67197706663590 0.25000000000000 0.26336613401711 40.078 > 12 135 Ca 0.17197706663590 0.58333333333333 0.26336613401711 40.078 > 12 136 Ca 0.67197706663590 0.58333333333333 0.26336613401711 40.078 > 12 137 Ca 0.17197706663590 0.91666666666667 0.26336613401711 40.078 > 12 138 Ca 0.67197706663590 0.91666666666667 0.26336613401711 40.078 > 12 139 Ca 0.17197706663590 0.25000000000000 0.76336613401711 40.078 > 12 140 Ca 0.67197706663590 0.25000000000000 0.76336613401711 40.078 > 12 141 Ca 0.17197706663590 0.58333333333333 0.76336613401711 40.078 > 12 142 Ca 0.67197706663590 0.58333333333333 0.76336613401711 40.078 > 12 143 Ca 0.17197706663590 0.91666666666667 0.76336613401711 40.078 > 12 144 Ca 0.67197706663590 0.91666666666667 0.76336613401711 40.078 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1497877 0.0000000 0.0000000 0.0000000 5.8417517 0.0000000 0.0000000 0.0000000 5.9262699 -------------------------- Born effective charges -------------------------- 1 Li 0.6592972 0.0000000 0.1819530 0.0000000 0.8215476 0.0000000 0.0759420 0.0000000 0.8657295 2 Li 0.6592972 0.0000000 0.1819530 0.0000000 0.8215476 0.0000000 0.0759420 0.0000000 0.8657295 3 Li 0.6592972 0.0000000 -0.1819530 0.0000000 0.8215476 0.0000000 -0.0759420 0.0000000 0.8657295 4 Li 0.6592972 0.0000000 -0.1819530 0.0000000 0.8215476 0.0000000 -0.0759420 0.0000000 0.8657295 5 N -2.7291029 0.0000000 0.0415046 0.0000000 -2.8097304 0.0000000 0.0655753 0.0000000 -2.8109285 6 N -2.7291029 0.0000000 -0.0415046 0.0000000 -2.8097304 0.0000000 -0.0655753 0.0000000 -2.8109285 7 N -2.7291029 0.0000000 0.0415046 0.0000000 -2.8097304 0.0000000 0.0655753 0.0000000 -2.8109285 8 N -2.7291029 0.0000000 -0.0415046 0.0000000 -2.8097304 0.0000000 -0.0655753 0.0000000 -2.8109285 9 Ca 2.0698057 0.0000000 0.0681575 0.0000000 1.9881829 0.0000000 -0.0476333 0.0000000 1.9451989 10 Ca 2.0698057 0.0000000 -0.0681575 0.0000000 1.9881829 0.0000000 0.0476333 0.0000000 1.9451989 11 Ca 2.0698057 0.0000000 -0.0681575 0.0000000 1.9881829 0.0000000 0.0476333 0.0000000 1.9451989 12 Ca 2.0698057 0.0000000 0.0681575 0.0000000 1.9881829 0.0000000 -0.0476333 0.0000000 1.9451989 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 1.763 Solver_block: 200 / 240 - Time: 1.707 Solver_block: 240 / 240 - Time: 0.779 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.326 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:11:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:11:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.395443550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.626170500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.476335000000000 Atomic positions (fractional): 1 Li 0.04856433864874 0.25000000000000 0.57397156189253 6.941 2 Li 0.95143566135126 0.75000000000000 0.42602843810747 6.941 3 Li 0.45143566135126 0.75000000000000 0.07397156189253 6.941 4 Li 0.54856433864874 0.25000000000000 0.92602843810747 6.941 5 N 0.09313475968622 0.75000000000000 0.74142773891701 14.007 6 N 0.59313475968622 0.75000000000000 0.75857226108299 14.007 7 N 0.90686524031378 0.25000000000000 0.25857226108299 14.007 8 N 0.40686524031378 0.25000000000000 0.24142773891701 14.007 9 Ca 0.65604586672820 0.25000000000000 0.47326773196578 40.078 10 Ca 0.84395413327180 0.75000000000000 0.97326773196578 40.078 11 Ca 0.15604586672820 0.25000000000000 0.02673226803422 40.078 12 Ca 0.34395413327180 0.75000000000000 0.52673226803422 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.790887099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.878511500000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.952669999999999 Atomic positions (fractional): 1 Li 0.02428216932437 0.08333333333333 0.28698578094626 6.941 > 1 2 Li 0.52428216932437 0.08333333333333 0.28698578094626 6.941 > 1 3 Li 0.02428216932437 0.41666666666667 0.28698578094626 6.941 > 1 4 Li 0.52428216932437 0.41666666666667 0.28698578094626 6.941 > 1 5 Li 0.02428216932437 0.75000000000000 0.28698578094626 6.941 > 1 6 Li 0.52428216932437 0.75000000000000 0.28698578094626 6.941 > 1 7 Li 0.02428216932437 0.08333333333333 0.78698578094626 6.941 > 1 8 Li 0.52428216932437 0.08333333333333 0.78698578094626 6.941 > 1 9 Li 0.02428216932437 0.41666666666667 0.78698578094626 6.941 > 1 10 Li 0.52428216932437 0.41666666666667 0.78698578094626 6.941 > 1 11 Li 0.02428216932437 0.75000000000000 0.78698578094626 6.941 > 1 12 Li 0.52428216932437 0.75000000000000 0.78698578094626 6.941 > 1 13 Li 0.47571783067563 0.25000000000000 0.21301421905374 6.941 > 13 14 Li 0.97571783067563 0.25000000000000 0.21301421905374 6.941 > 13 15 Li 0.47571783067563 0.58333333333333 0.21301421905374 6.941 > 13 16 Li 0.97571783067563 0.58333333333333 0.21301421905374 6.941 > 13 17 Li 0.47571783067563 0.91666666666667 0.21301421905374 6.941 > 13 18 Li 0.97571783067563 0.91666666666667 0.21301421905374 6.941 > 13 19 Li 0.47571783067563 0.25000000000000 0.71301421905374 6.941 > 13 20 Li 0.97571783067563 0.25000000000000 0.71301421905374 6.941 > 13 21 Li 0.47571783067563 0.58333333333333 0.71301421905374 6.941 > 13 22 Li 0.97571783067563 0.58333333333333 0.71301421905374 6.941 > 13 23 Li 0.47571783067563 0.91666666666667 0.71301421905374 6.941 > 13 24 Li 0.97571783067563 0.91666666666667 0.71301421905374 6.941 > 13 25 Li 0.22571783067563 0.25000000000000 0.03698578094626 6.941 > 25 26 Li 0.72571783067563 0.25000000000000 0.03698578094626 6.941 > 25 27 Li 0.22571783067563 0.58333333333333 0.03698578094626 6.941 > 25 28 Li 0.72571783067563 0.58333333333333 0.03698578094626 6.941 > 25 29 Li 0.22571783067563 0.91666666666667 0.03698578094626 6.941 > 25 30 Li 0.72571783067563 0.91666666666667 0.03698578094626 6.941 > 25 31 Li 0.22571783067563 0.25000000000000 0.53698578094626 6.941 > 25 32 Li 0.72571783067563 0.25000000000000 0.53698578094626 6.941 > 25 33 Li 0.22571783067563 0.58333333333333 0.53698578094626 6.941 > 25 34 Li 0.72571783067563 0.58333333333333 0.53698578094626 6.941 > 25 35 Li 0.22571783067563 0.91666666666667 0.53698578094626 6.941 > 25 36 Li 0.72571783067563 0.91666666666667 0.53698578094626 6.941 > 25 37 Li 0.27428216932437 0.08333333333333 0.46301421905374 6.941 > 37 38 Li 0.77428216932437 0.08333333333333 0.46301421905374 6.941 > 37 39 Li 0.27428216932437 0.41666666666667 0.46301421905374 6.941 > 37 40 Li 0.77428216932437 0.41666666666667 0.46301421905374 6.941 > 37 41 Li 0.27428216932437 0.75000000000000 0.46301421905374 6.941 > 37 42 Li 0.77428216932437 0.75000000000000 0.46301421905374 6.941 > 37 43 Li 0.27428216932437 0.08333333333333 0.96301421905374 6.941 > 37 44 Li 0.77428216932437 0.08333333333333 0.96301421905374 6.941 > 37 45 Li 0.27428216932437 0.41666666666667 0.96301421905374 6.941 > 37 46 Li 0.77428216932437 0.41666666666667 0.96301421905374 6.941 > 37 47 Li 0.27428216932437 0.75000000000000 0.96301421905374 6.941 > 37 48 Li 0.77428216932437 0.75000000000000 0.96301421905374 6.941 > 37 49 N 0.04656737984311 0.25000000000000 0.37071386945851 14.007 > 49 50 N 0.54656737984311 0.25000000000000 0.37071386945851 14.007 > 49 51 N 0.04656737984311 0.58333333333333 0.37071386945851 14.007 > 49 52 N 0.54656737984311 0.58333333333333 0.37071386945851 14.007 > 49 53 N 0.04656737984311 0.91666666666667 0.37071386945851 14.007 > 49 54 N 0.54656737984311 0.91666666666667 0.37071386945851 14.007 > 49 55 N 0.04656737984311 0.25000000000000 0.87071386945851 14.007 > 49 56 N 0.54656737984311 0.25000000000000 0.87071386945851 14.007 > 49 57 N 0.04656737984311 0.58333333333333 0.87071386945851 14.007 > 49 58 N 0.54656737984311 0.58333333333333 0.87071386945851 14.007 > 49 59 N 0.04656737984311 0.91666666666667 0.87071386945851 14.007 > 49 60 N 0.54656737984311 0.91666666666667 0.87071386945851 14.007 > 49 61 N 0.29656737984311 0.25000000000000 0.37928613054149 14.007 > 61 62 N 0.79656737984311 0.25000000000000 0.37928613054149 14.007 > 61 63 N 0.29656737984311 0.58333333333333 0.37928613054149 14.007 > 61 64 N 0.79656737984311 0.58333333333333 0.37928613054149 14.007 > 61 65 N 0.29656737984311 0.91666666666667 0.37928613054149 14.007 > 61 66 N 0.79656737984311 0.91666666666667 0.37928613054149 14.007 > 61 67 N 0.29656737984311 0.25000000000000 0.87928613054149 14.007 > 61 68 N 0.79656737984311 0.25000000000000 0.87928613054149 14.007 > 61 69 N 0.29656737984311 0.58333333333333 0.87928613054149 14.007 > 61 70 N 0.79656737984311 0.58333333333333 0.87928613054149 14.007 > 61 71 N 0.29656737984311 0.91666666666667 0.87928613054149 14.007 > 61 72 N 0.79656737984311 0.91666666666667 0.87928613054149 14.007 > 61 73 N 0.45343262015689 0.08333333333333 0.12928613054149 14.007 > 73 74 N 0.95343262015689 0.08333333333333 0.12928613054149 14.007 > 73 75 N 0.45343262015689 0.41666666666667 0.12928613054149 14.007 > 73 76 N 0.95343262015689 0.41666666666667 0.12928613054149 14.007 > 73 77 N 0.45343262015689 0.75000000000000 0.12928613054149 14.007 > 73 78 N 0.95343262015689 0.75000000000000 0.12928613054149 14.007 > 73 79 N 0.45343262015689 0.08333333333333 0.62928613054149 14.007 > 73 80 N 0.95343262015689 0.08333333333333 0.62928613054149 14.007 > 73 81 N 0.45343262015689 0.41666666666667 0.62928613054149 14.007 > 73 82 N 0.95343262015689 0.41666666666667 0.62928613054149 14.007 > 73 83 N 0.45343262015689 0.75000000000000 0.62928613054149 14.007 > 73 84 N 0.95343262015689 0.75000000000000 0.62928613054149 14.007 > 73 85 N 0.20343262015689 0.08333333333333 0.12071386945851 14.007 > 85 86 N 0.70343262015689 0.08333333333333 0.12071386945851 14.007 > 85 87 N 0.20343262015689 0.41666666666667 0.12071386945851 14.007 > 85 88 N 0.70343262015689 0.41666666666667 0.12071386945851 14.007 > 85 89 N 0.20343262015689 0.75000000000000 0.12071386945851 14.007 > 85 90 N 0.70343262015689 0.75000000000000 0.12071386945851 14.007 > 85 91 N 0.20343262015689 0.08333333333333 0.62071386945851 14.007 > 85 92 N 0.70343262015689 0.08333333333333 0.62071386945851 14.007 > 85 93 N 0.20343262015689 0.41666666666667 0.62071386945851 14.007 > 85 94 N 0.70343262015689 0.41666666666667 0.62071386945851 14.007 > 85 95 N 0.20343262015689 0.75000000000000 0.62071386945851 14.007 > 85 96 N 0.70343262015689 0.75000000000000 0.62071386945851 14.007 > 85 97 Ca 0.32802293336410 0.08333333333333 0.23663386598289 40.078 > 97 98 Ca 0.82802293336410 0.08333333333333 0.23663386598289 40.078 > 97 99 Ca 0.32802293336410 0.41666666666667 0.23663386598289 40.078 > 97 100 Ca 0.82802293336410 0.41666666666667 0.23663386598289 40.078 > 97 101 Ca 0.32802293336410 0.75000000000000 0.23663386598289 40.078 > 97 102 Ca 0.82802293336410 0.75000000000000 0.23663386598289 40.078 > 97 103 Ca 0.32802293336410 0.08333333333333 0.73663386598289 40.078 > 97 104 Ca 0.82802293336410 0.08333333333333 0.73663386598289 40.078 > 97 105 Ca 0.32802293336410 0.41666666666667 0.73663386598289 40.078 > 97 106 Ca 0.82802293336410 0.41666666666667 0.73663386598289 40.078 > 97 107 Ca 0.32802293336410 0.75000000000000 0.73663386598289 40.078 > 97 108 Ca 0.82802293336410 0.75000000000000 0.73663386598289 40.078 > 97 109 Ca 0.42197706663590 0.25000000000000 0.48663386598289 40.078 > 109 110 Ca 0.92197706663590 0.25000000000000 0.48663386598289 40.078 > 109 111 Ca 0.42197706663590 0.58333333333333 0.48663386598289 40.078 > 109 112 Ca 0.92197706663590 0.58333333333333 0.48663386598289 40.078 > 109 113 Ca 0.42197706663590 0.91666666666667 0.48663386598289 40.078 > 109 114 Ca 0.92197706663590 0.91666666666667 0.48663386598289 40.078 > 109 115 Ca 0.42197706663590 0.25000000000000 0.98663386598289 40.078 > 109 116 Ca 0.92197706663590 0.25000000000000 0.98663386598289 40.078 > 109 117 Ca 0.42197706663590 0.58333333333333 0.98663386598289 40.078 > 109 118 Ca 0.92197706663590 0.58333333333333 0.98663386598289 40.078 > 109 119 Ca 0.42197706663590 0.91666666666667 0.98663386598289 40.078 > 109 120 Ca 0.92197706663590 0.91666666666667 0.98663386598289 40.078 > 109 121 Ca 0.07802293336410 0.08333333333333 0.01336613401711 40.078 > 121 122 Ca 0.57802293336410 0.08333333333333 0.01336613401711 40.078 > 121 123 Ca 0.07802293336410 0.41666666666667 0.01336613401711 40.078 > 121 124 Ca 0.57802293336410 0.41666666666667 0.01336613401711 40.078 > 121 125 Ca 0.07802293336410 0.75000000000000 0.01336613401711 40.078 > 121 126 Ca 0.57802293336410 0.75000000000000 0.01336613401711 40.078 > 121 127 Ca 0.07802293336410 0.08333333333333 0.51336613401711 40.078 > 121 128 Ca 0.57802293336410 0.08333333333333 0.51336613401711 40.078 > 121 129 Ca 0.07802293336410 0.41666666666667 0.51336613401711 40.078 > 121 130 Ca 0.57802293336410 0.41666666666667 0.51336613401711 40.078 > 121 131 Ca 0.07802293336410 0.75000000000000 0.51336613401711 40.078 > 121 132 Ca 0.57802293336410 0.75000000000000 0.51336613401711 40.078 > 121 133 Ca 0.17197706663590 0.25000000000000 0.26336613401711 40.078 > 133 134 Ca 0.67197706663590 0.25000000000000 0.26336613401711 40.078 > 133 135 Ca 0.17197706663590 0.58333333333333 0.26336613401711 40.078 > 133 136 Ca 0.67197706663590 0.58333333333333 0.26336613401711 40.078 > 133 137 Ca 0.17197706663590 0.91666666666667 0.26336613401711 40.078 > 133 138 Ca 0.67197706663590 0.91666666666667 0.26336613401711 40.078 > 133 139 Ca 0.17197706663590 0.25000000000000 0.76336613401711 40.078 > 133 140 Ca 0.67197706663590 0.25000000000000 0.76336613401711 40.078 > 133 141 Ca 0.17197706663590 0.58333333333333 0.76336613401711 40.078 > 133 142 Ca 0.67197706663590 0.58333333333333 0.76336613401711 40.078 > 133 143 Ca 0.17197706663590 0.91666666666667 0.76336613401711 40.078 > 133 144 Ca 0.67197706663590 0.91666666666667 0.76336613401711 40.078 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1497877 0.0000000 0.0000000 0.0000000 5.8417517 0.0000000 0.0000000 0.0000000 5.9262699 -------------------------- Born effective charges -------------------------- 1 Li 0.6592972 0.0000000 0.1819530 0.0000000 0.8215476 0.0000000 0.0759420 0.0000000 0.8657295 2 Li 0.6592972 0.0000000 0.1819530 0.0000000 0.8215476 0.0000000 0.0759420 0.0000000 0.8657295 3 Li 0.6592972 0.0000000 -0.1819530 0.0000000 0.8215476 0.0000000 -0.0759420 0.0000000 0.8657295 4 Li 0.6592972 0.0000000 -0.1819530 0.0000000 0.8215476 0.0000000 -0.0759420 0.0000000 0.8657295 5 N -2.7291029 0.0000000 0.0415046 0.0000000 -2.8097304 0.0000000 0.0655753 0.0000000 -2.8109285 6 N -2.7291029 0.0000000 -0.0415046 0.0000000 -2.8097304 0.0000000 -0.0655753 0.0000000 -2.8109285 7 N -2.7291029 0.0000000 0.0415046 0.0000000 -2.8097304 0.0000000 0.0655753 0.0000000 -2.8109285 8 N -2.7291029 0.0000000 -0.0415046 0.0000000 -2.8097304 0.0000000 -0.0655753 0.0000000 -2.8109285 9 Ca 2.0698057 0.0000000 0.0681575 0.0000000 1.9881829 0.0000000 -0.0476333 0.0000000 1.9451989 10 Ca 2.0698057 0.0000000 -0.0681575 0.0000000 1.9881829 0.0000000 0.0476333 0.0000000 1.9451989 11 Ca 2.0698057 0.0000000 -0.0681575 0.0000000 1.9881829 0.0000000 0.0476333 0.0000000 1.9451989 12 Ca 2.0698057 0.0000000 0.0681575 0.0000000 1.9881829 0.0000000 -0.0476333 0.0000000 1.9451989 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:11:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:11:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.395443550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.626170500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.476335000000000 Atomic positions (fractional): 1 Li 0.04856433864874 0.25000000000000 0.57397156189253 6.941 2 Li 0.95143566135126 0.75000000000000 0.42602843810747 6.941 3 Li 0.45143566135126 0.75000000000000 0.07397156189253 6.941 4 Li 0.54856433864874 0.25000000000000 0.92602843810747 6.941 5 N 0.09313475968622 0.75000000000000 0.74142773891701 14.007 6 N 0.59313475968622 0.75000000000000 0.75857226108299 14.007 7 N 0.90686524031378 0.25000000000000 0.25857226108299 14.007 8 N 0.40686524031378 0.25000000000000 0.24142773891701 14.007 9 Ca 0.65604586672820 0.25000000000000 0.47326773196578 40.078 10 Ca 0.84395413327180 0.75000000000000 0.97326773196578 40.078 11 Ca 0.15604586672820 0.25000000000000 0.02673226803422 40.078 12 Ca 0.34395413327180 0.75000000000000 0.52673226803422 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.790887099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.878511500000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.952669999999999 Atomic positions (fractional): 1 Li 0.02428216932437 0.08333333333333 0.28698578094626 6.941 > 1 2 Li 0.52428216932437 0.08333333333333 0.28698578094626 6.941 > 1 3 Li 0.02428216932437 0.41666666666667 0.28698578094626 6.941 > 1 4 Li 0.52428216932437 0.41666666666667 0.28698578094626 6.941 > 1 5 Li 0.02428216932437 0.75000000000000 0.28698578094626 6.941 > 1 6 Li 0.52428216932437 0.75000000000000 0.28698578094626 6.941 > 1 7 Li 0.02428216932437 0.08333333333333 0.78698578094626 6.941 > 1 8 Li 0.52428216932437 0.08333333333333 0.78698578094626 6.941 > 1 9 Li 0.02428216932437 0.41666666666667 0.78698578094626 6.941 > 1 10 Li 0.52428216932437 0.41666666666667 0.78698578094626 6.941 > 1 11 Li 0.02428216932437 0.75000000000000 0.78698578094626 6.941 > 1 12 Li 0.52428216932437 0.75000000000000 0.78698578094626 6.941 > 1 13 Li 0.47571783067563 0.25000000000000 0.21301421905374 6.941 > 13 14 Li 0.97571783067563 0.25000000000000 0.21301421905374 6.941 > 13 15 Li 0.47571783067563 0.58333333333333 0.21301421905374 6.941 > 13 16 Li 0.97571783067563 0.58333333333333 0.21301421905374 6.941 > 13 17 Li 0.47571783067563 0.91666666666667 0.21301421905374 6.941 > 13 18 Li 0.97571783067563 0.91666666666667 0.21301421905374 6.941 > 13 19 Li 0.47571783067563 0.25000000000000 0.71301421905374 6.941 > 13 20 Li 0.97571783067563 0.25000000000000 0.71301421905374 6.941 > 13 21 Li 0.47571783067563 0.58333333333333 0.71301421905374 6.941 > 13 22 Li 0.97571783067563 0.58333333333333 0.71301421905374 6.941 > 13 23 Li 0.47571783067563 0.91666666666667 0.71301421905374 6.941 > 13 24 Li 0.97571783067563 0.91666666666667 0.71301421905374 6.941 > 13 25 Li 0.22571783067563 0.25000000000000 0.03698578094626 6.941 > 25 26 Li 0.72571783067563 0.25000000000000 0.03698578094626 6.941 > 25 27 Li 0.22571783067563 0.58333333333333 0.03698578094626 6.941 > 25 28 Li 0.72571783067563 0.58333333333333 0.03698578094626 6.941 > 25 29 Li 0.22571783067563 0.91666666666667 0.03698578094626 6.941 > 25 30 Li 0.72571783067563 0.91666666666667 0.03698578094626 6.941 > 25 31 Li 0.22571783067563 0.25000000000000 0.53698578094626 6.941 > 25 32 Li 0.72571783067563 0.25000000000000 0.53698578094626 6.941 > 25 33 Li 0.22571783067563 0.58333333333333 0.53698578094626 6.941 > 25 34 Li 0.72571783067563 0.58333333333333 0.53698578094626 6.941 > 25 35 Li 0.22571783067563 0.91666666666667 0.53698578094626 6.941 > 25 36 Li 0.72571783067563 0.91666666666667 0.53698578094626 6.941 > 25 37 Li 0.27428216932437 0.08333333333333 0.46301421905374 6.941 > 37 38 Li 0.77428216932437 0.08333333333333 0.46301421905374 6.941 > 37 39 Li 0.27428216932437 0.41666666666667 0.46301421905374 6.941 > 37 40 Li 0.77428216932437 0.41666666666667 0.46301421905374 6.941 > 37 41 Li 0.27428216932437 0.75000000000000 0.46301421905374 6.941 > 37 42 Li 0.77428216932437 0.75000000000000 0.46301421905374 6.941 > 37 43 Li 0.27428216932437 0.08333333333333 0.96301421905374 6.941 > 37 44 Li 0.77428216932437 0.08333333333333 0.96301421905374 6.941 > 37 45 Li 0.27428216932437 0.41666666666667 0.96301421905374 6.941 > 37 46 Li 0.77428216932437 0.41666666666667 0.96301421905374 6.941 > 37 47 Li 0.27428216932437 0.75000000000000 0.96301421905374 6.941 > 37 48 Li 0.77428216932437 0.75000000000000 0.96301421905374 6.941 > 37 49 N 0.04656737984311 0.25000000000000 0.37071386945851 14.007 > 49 50 N 0.54656737984311 0.25000000000000 0.37071386945851 14.007 > 49 51 N 0.04656737984311 0.58333333333333 0.37071386945851 14.007 > 49 52 N 0.54656737984311 0.58333333333333 0.37071386945851 14.007 > 49 53 N 0.04656737984311 0.91666666666667 0.37071386945851 14.007 > 49 54 N 0.54656737984311 0.91666666666667 0.37071386945851 14.007 > 49 55 N 0.04656737984311 0.25000000000000 0.87071386945851 14.007 > 49 56 N 0.54656737984311 0.25000000000000 0.87071386945851 14.007 > 49 57 N 0.04656737984311 0.58333333333333 0.87071386945851 14.007 > 49 58 N 0.54656737984311 0.58333333333333 0.87071386945851 14.007 > 49 59 N 0.04656737984311 0.91666666666667 0.87071386945851 14.007 > 49 60 N 0.54656737984311 0.91666666666667 0.87071386945851 14.007 > 49 61 N 0.29656737984311 0.25000000000000 0.37928613054149 14.007 > 61 62 N 0.79656737984311 0.25000000000000 0.37928613054149 14.007 > 61 63 N 0.29656737984311 0.58333333333333 0.37928613054149 14.007 > 61 64 N 0.79656737984311 0.58333333333333 0.37928613054149 14.007 > 61 65 N 0.29656737984311 0.91666666666667 0.37928613054149 14.007 > 61 66 N 0.79656737984311 0.91666666666667 0.37928613054149 14.007 > 61 67 N 0.29656737984311 0.25000000000000 0.87928613054149 14.007 > 61 68 N 0.79656737984311 0.25000000000000 0.87928613054149 14.007 > 61 69 N 0.29656737984311 0.58333333333333 0.87928613054149 14.007 > 61 70 N 0.79656737984311 0.58333333333333 0.87928613054149 14.007 > 61 71 N 0.29656737984311 0.91666666666667 0.87928613054149 14.007 > 61 72 N 0.79656737984311 0.91666666666667 0.87928613054149 14.007 > 61 73 N 0.45343262015689 0.08333333333333 0.12928613054149 14.007 > 73 74 N 0.95343262015689 0.08333333333333 0.12928613054149 14.007 > 73 75 N 0.45343262015689 0.41666666666667 0.12928613054149 14.007 > 73 76 N 0.95343262015689 0.41666666666667 0.12928613054149 14.007 > 73 77 N 0.45343262015689 0.75000000000000 0.12928613054149 14.007 > 73 78 N 0.95343262015689 0.75000000000000 0.12928613054149 14.007 > 73 79 N 0.45343262015689 0.08333333333333 0.62928613054149 14.007 > 73 80 N 0.95343262015689 0.08333333333333 0.62928613054149 14.007 > 73 81 N 0.45343262015689 0.41666666666667 0.62928613054149 14.007 > 73 82 N 0.95343262015689 0.41666666666667 0.62928613054149 14.007 > 73 83 N 0.45343262015689 0.75000000000000 0.62928613054149 14.007 > 73 84 N 0.95343262015689 0.75000000000000 0.62928613054149 14.007 > 73 85 N 0.20343262015689 0.08333333333333 0.12071386945851 14.007 > 85 86 N 0.70343262015689 0.08333333333333 0.12071386945851 14.007 > 85 87 N 0.20343262015689 0.41666666666667 0.12071386945851 14.007 > 85 88 N 0.70343262015689 0.41666666666667 0.12071386945851 14.007 > 85 89 N 0.20343262015689 0.75000000000000 0.12071386945851 14.007 > 85 90 N 0.70343262015689 0.75000000000000 0.12071386945851 14.007 > 85 91 N 0.20343262015689 0.08333333333333 0.62071386945851 14.007 > 85 92 N 0.70343262015689 0.08333333333333 0.62071386945851 14.007 > 85 93 N 0.20343262015689 0.41666666666667 0.62071386945851 14.007 > 85 94 N 0.70343262015689 0.41666666666667 0.62071386945851 14.007 > 85 95 N 0.20343262015689 0.75000000000000 0.62071386945851 14.007 > 85 96 N 0.70343262015689 0.75000000000000 0.62071386945851 14.007 > 85 97 Ca 0.32802293336410 0.08333333333333 0.23663386598289 40.078 > 97 98 Ca 0.82802293336410 0.08333333333333 0.23663386598289 40.078 > 97 99 Ca 0.32802293336410 0.41666666666667 0.23663386598289 40.078 > 97 100 Ca 0.82802293336410 0.41666666666667 0.23663386598289 40.078 > 97 101 Ca 0.32802293336410 0.75000000000000 0.23663386598289 40.078 > 97 102 Ca 0.82802293336410 0.75000000000000 0.23663386598289 40.078 > 97 103 Ca 0.32802293336410 0.08333333333333 0.73663386598289 40.078 > 97 104 Ca 0.82802293336410 0.08333333333333 0.73663386598289 40.078 > 97 105 Ca 0.32802293336410 0.41666666666667 0.73663386598289 40.078 > 97 106 Ca 0.82802293336410 0.41666666666667 0.73663386598289 40.078 > 97 107 Ca 0.32802293336410 0.75000000000000 0.73663386598289 40.078 > 97 108 Ca 0.82802293336410 0.75000000000000 0.73663386598289 40.078 > 97 109 Ca 0.42197706663590 0.25000000000000 0.48663386598289 40.078 > 109 110 Ca 0.92197706663590 0.25000000000000 0.48663386598289 40.078 > 109 111 Ca 0.42197706663590 0.58333333333333 0.48663386598289 40.078 > 109 112 Ca 0.92197706663590 0.58333333333333 0.48663386598289 40.078 > 109 113 Ca 0.42197706663590 0.91666666666667 0.48663386598289 40.078 > 109 114 Ca 0.92197706663590 0.91666666666667 0.48663386598289 40.078 > 109 115 Ca 0.42197706663590 0.25000000000000 0.98663386598289 40.078 > 109 116 Ca 0.92197706663590 0.25000000000000 0.98663386598289 40.078 > 109 117 Ca 0.42197706663590 0.58333333333333 0.98663386598289 40.078 > 109 118 Ca 0.92197706663590 0.58333333333333 0.98663386598289 40.078 > 109 119 Ca 0.42197706663590 0.91666666666667 0.98663386598289 40.078 > 109 120 Ca 0.92197706663590 0.91666666666667 0.98663386598289 40.078 > 109 121 Ca 0.07802293336410 0.08333333333333 0.01336613401711 40.078 > 121 122 Ca 0.57802293336410 0.08333333333333 0.01336613401711 40.078 > 121 123 Ca 0.07802293336410 0.41666666666667 0.01336613401711 40.078 > 121 124 Ca 0.57802293336410 0.41666666666667 0.01336613401711 40.078 > 121 125 Ca 0.07802293336410 0.75000000000000 0.01336613401711 40.078 > 121 126 Ca 0.57802293336410 0.75000000000000 0.01336613401711 40.078 > 121 127 Ca 0.07802293336410 0.08333333333333 0.51336613401711 40.078 > 121 128 Ca 0.57802293336410 0.08333333333333 0.51336613401711 40.078 > 121 129 Ca 0.07802293336410 0.41666666666667 0.51336613401711 40.078 > 121 130 Ca 0.57802293336410 0.41666666666667 0.51336613401711 40.078 > 121 131 Ca 0.07802293336410 0.75000000000000 0.51336613401711 40.078 > 121 132 Ca 0.57802293336410 0.75000000000000 0.51336613401711 40.078 > 121 133 Ca 0.17197706663590 0.25000000000000 0.26336613401711 40.078 > 133 134 Ca 0.67197706663590 0.25000000000000 0.26336613401711 40.078 > 133 135 Ca 0.17197706663590 0.58333333333333 0.26336613401711 40.078 > 133 136 Ca 0.67197706663590 0.58333333333333 0.26336613401711 40.078 > 133 137 Ca 0.17197706663590 0.91666666666667 0.26336613401711 40.078 > 133 138 Ca 0.67197706663590 0.91666666666667 0.26336613401711 40.078 > 133 139 Ca 0.17197706663590 0.25000000000000 0.76336613401711 40.078 > 133 140 Ca 0.67197706663590 0.25000000000000 0.76336613401711 40.078 > 133 141 Ca 0.17197706663590 0.58333333333333 0.76336613401711 40.078 > 133 142 Ca 0.67197706663590 0.58333333333333 0.76336613401711 40.078 > 133 143 Ca 0.17197706663590 0.91666666666667 0.76336613401711 40.078 > 133 144 Ca 0.67197706663590 0.91666666666667 0.76336613401711 40.078 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1497877 0.0000000 0.0000000 0.0000000 5.8417517 0.0000000 0.0000000 0.0000000 5.9262699 -------------------------- Born effective charges -------------------------- 1 Li 0.6592972 0.0000000 0.1819530 0.0000000 0.8215476 0.0000000 0.0759420 0.0000000 0.8657295 2 Li 0.6592972 0.0000000 0.1819530 0.0000000 0.8215476 0.0000000 0.0759420 0.0000000 0.8657295 3 Li 0.6592972 0.0000000 -0.1819530 0.0000000 0.8215476 0.0000000 -0.0759420 0.0000000 0.8657295 4 Li 0.6592972 0.0000000 -0.1819530 0.0000000 0.8215476 0.0000000 -0.0759420 0.0000000 0.8657295 5 N -2.7291029 0.0000000 0.0415046 0.0000000 -2.8097304 0.0000000 0.0655753 0.0000000 -2.8109285 6 N -2.7291029 0.0000000 -0.0415046 0.0000000 -2.8097304 0.0000000 -0.0655753 0.0000000 -2.8109285 7 N -2.7291029 0.0000000 0.0415046 0.0000000 -2.8097304 0.0000000 0.0655753 0.0000000 -2.8109285 8 N -2.7291029 0.0000000 -0.0415046 0.0000000 -2.8097304 0.0000000 -0.0655753 0.0000000 -2.8109285 9 Ca 2.0698057 0.0000000 0.0681575 0.0000000 1.9881829 0.0000000 -0.0476333 0.0000000 1.9451989 10 Ca 2.0698057 0.0000000 -0.0681575 0.0000000 1.9881829 0.0000000 0.0476333 0.0000000 1.9451989 11 Ca 2.0698057 0.0000000 -0.0681575 0.0000000 1.9881829 0.0000000 0.0476333 0.0000000 1.9451989 12 Ca 2.0698057 0.0000000 0.0681575 0.0000000 1.9881829 0.0000000 -0.0476333 0.0000000 1.9451989 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 14 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.75, Number of G-points: 305, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.930 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.945 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.724 ( 0.000 0.000 0.000) 0.000 9.875 ( 0.000 0.000 0.000) 0.000 10.040 ( 0.000 0.000 0.000) 0.000 10.081 ( 0.000 0.000 0.000) 0.000 10.127 ( 0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 11.767 ( 0.000 0.000 0.000) 0.000 12.782 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 12.986 ( 0.000 0.000 0.000) 0.000 13.096 ( 0.000 0.000 0.000) 0.000 14.005 ( 0.000 0.000 0.000) 0.000 14.385 ( 0.000 0.000 0.000) 0.000 15.317 ( 0.000 0.000 0.000) 0.000 15.787 ( 0.000 0.000 0.000) 0.000 15.930 ( 0.000 0.000 0.000) 0.000 16.108 ( 0.000 0.000 0.000) 0.000 18.935 ( 0.000 0.000 0.000) 0.000 18.946 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.17 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 40.851 0.000 0.000) 40.851 0.832 ( 42.070 0.000 0.000) 42.070 1.427 ( 70.814 0.000 0.000) 70.814 3.665 ( -24.555 0.000 0.000) 24.555 4.124 ( -36.060 0.000 0.000) 36.060 5.151 ( 13.337 0.000 0.000) 13.337 5.336 ( 23.921 0.000 0.000) 23.921 5.582 ( 7.754 0.000 0.000) 7.754 5.745 ( -19.668 0.000 0.000) 19.668 5.894 ( -3.575 0.000 0.000) 3.575 6.317 ( 7.687 0.000 0.000) 7.687 6.488 ( -4.968 0.000 0.000) 4.968 6.973 ( -32.279 0.000 0.000) 32.279 7.233 ( -6.313 0.000 0.000) 6.313 8.029 ( 10.704 0.000 0.000) 10.704 8.563 ( 31.927 0.000 0.000) 31.927 9.275 ( -8.824 0.000 0.000) 8.824 9.755 ( 2.990 0.000 0.000) 2.990 9.961 ( -5.115 0.000 0.000) 5.115 10.020 ( -1.924 0.000 0.000) 1.924 10.102 ( -2.415 0.000 0.000) 2.415 10.688 ( -17.439 0.000 0.000) 17.439 11.447 ( 21.480 0.000 0.000) 21.480 11.960 ( 15.402 0.000 0.000) 15.402 12.797 ( 1.463 0.000 0.000) 1.463 12.802 ( -3.815 0.000 0.000) 3.815 12.973 ( -1.240 0.000 0.000) 1.240 13.781 ( -19.108 0.000 0.000) 19.108 14.501 ( 8.498 0.000 0.000) 8.498 15.142 ( -4.820 0.000 0.000) 4.820 15.804 ( 1.528 0.000 0.000) 1.528 15.918 ( -1.000 0.000 0.000) 1.000 16.154 ( 4.164 0.000 0.000) 4.164 16.383 ( -0.188 0.000 0.000) 0.188 18.935 ( 0.052 0.000 0.000) 0.052 18.945 ( -0.093 0.000 0.000) 0.093 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.33 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 39.516 0.000 0.000) 39.516 1.671 ( 42.404 0.000 0.000) 42.404 2.772 ( 60.303 0.000 0.000) 60.303 3.080 ( -33.097 0.000 0.000) 33.097 3.387 ( -33.915 0.000 0.000) 33.915 5.113 ( -43.653 0.000 0.000) 43.653 5.414 ( 12.300 0.000 0.000) 12.300 5.738 ( 16.037 0.000 0.000) 16.037 5.791 ( -6.726 0.000 0.000) 6.726 5.809 ( 15.353 0.000 0.000) 15.353 6.331 ( -11.511 0.000 0.000) 11.511 6.432 ( -20.553 0.000 0.000) 20.553 6.528 ( 12.888 0.000 0.000) 12.888 7.055 ( -11.282 0.000 0.000) 11.282 8.317 ( 17.284 0.000 0.000) 17.284 9.025 ( -15.657 0.000 0.000) 15.657 9.177 ( 29.439 0.000 0.000) 29.439 9.835 ( 4.860 0.000 0.000) 4.860 9.892 ( -1.802 0.000 0.000) 1.802 9.972 ( -2.612 0.000 0.000) 2.612 10.034 ( -4.307 0.000 0.000) 4.307 10.264 ( -23.522 0.000 0.000) 23.522 11.988 ( 29.860 0.000 0.000) 29.860 12.288 ( 17.362 0.000 0.000) 17.362 12.685 ( -8.147 0.000 0.000) 8.147 12.837 ( 2.442 0.000 0.000) 2.442 12.938 ( -2.221 0.000 0.000) 2.221 13.312 ( -27.302 0.000 0.000) 27.302 14.675 ( 8.823 0.000 0.000) 8.823 15.015 ( -7.657 0.000 0.000) 7.657 15.839 ( 1.776 0.000 0.000) 1.776 15.896 ( -1.161 0.000 0.000) 1.161 16.248 ( 4.753 0.000 0.000) 4.753 16.371 ( -1.221 0.000 0.000) 1.221 18.937 ( 0.105 0.000 0.000) 0.105 18.942 ( -0.147 0.000 0.000) 0.147 ======================= Grid point 3 (4/160) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -37.133 0.000 0.000) 37.133 2.379 ( 37.133 0.000 0.000) 37.133 2.508 ( -41.463 0.000 0.000) 41.463 2.508 ( 41.463 0.000 0.000) 41.463 4.082 ( -58.143 0.000 0.000) 58.143 4.082 ( 58.143 0.000 0.000) 58.143 5.630 ( -9.477 0.000 0.000) 9.477 5.630 ( 9.477 0.000 0.000) 9.477 6.036 ( -15.401 0.000 0.000) 15.401 6.036 ( 15.401 0.000 0.000) 15.401 6.121 ( -14.695 0.000 0.000) 14.695 6.121 ( 14.695 0.000 0.000) 14.695 6.800 ( -13.868 0.000 0.000) 13.868 6.800 ( 13.868 0.000 0.000) 13.868 8.680 ( -18.525 0.000 0.000) 18.525 8.680 ( 18.525 0.000 0.000) 18.525 9.721 ( -23.961 0.000 0.000) 23.961 9.721 ( 23.961 0.000 0.000) 23.961 9.937 ( -5.239 0.000 0.000) 5.239 9.937 ( 5.239 0.000 0.000) 5.239 9.938 ( -1.026 0.000 0.000) 1.026 9.938 ( 1.026 0.000 0.000) 1.026 12.464 ( -15.379 0.000 0.000) 15.379 12.464 ( 15.379 0.000 0.000) 15.379 12.735 ( -28.964 0.000 0.000) 28.964 12.735 ( 28.964 0.000 0.000) 28.964 12.889 ( -2.687 0.000 0.000) 2.687 12.889 ( 2.687 0.000 0.000) 2.687 14.850 ( -8.720 0.000 0.000) 8.720 14.850 ( 8.720 0.000 0.000) 8.720 15.871 ( -1.434 0.000 0.000) 1.434 15.871 ( 1.434 0.000 0.000) 1.434 16.328 ( -3.136 0.000 0.000) 3.136 16.328 ( 3.136 0.000 0.000) 3.136 18.939 ( -0.145 0.000 0.000) 0.145 18.939 ( 0.145 0.000 0.000) 0.145 ======================= Grid point 7 (5/160) ======================= 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 40.874 0.000) 40.874 0.813 ( 0.000 41.782 0.000) 41.782 1.511 ( 0.000 75.348 0.000) 75.348 4.100 ( 0.000 14.060 0.000) 14.060 4.674 ( 0.000 1.101 0.000) 1.101 4.877 ( 0.000 2.857 0.000) 2.857 4.990 ( 0.000 0.895 0.000) 0.895 5.534 ( 0.000 3.521 0.000) 3.521 6.019 ( 0.000 8.370 0.000) 8.370 6.050 ( 0.000 11.163 0.000) 11.163 6.220 ( 0.000 -0.755 0.000) 0.755 6.719 ( 0.000 16.752 0.000) 16.752 7.468 ( 0.000 0.325 0.000) 0.325 8.030 ( 0.000 -2.446 0.000) 2.446 8.084 ( 0.000 14.651 0.000) 14.651 8.445 ( 0.000 8.274 0.000) 8.274 9.363 ( 0.000 0.178 0.000) 0.178 9.735 ( 0.000 -1.664 0.000) 1.664 10.014 ( 0.000 16.573 0.000) 16.573 10.045 ( 0.000 0.536 0.000) 0.536 10.051 ( 0.000 -2.880 0.000) 2.880 10.294 ( 0.000 16.208 0.000) 16.208 10.809 ( 0.000 -4.943 0.000) 4.943 11.730 ( 0.000 -3.810 0.000) 3.810 12.355 ( 0.000 -26.918 0.000) 26.918 12.992 ( 0.000 1.564 0.000) 1.564 13.029 ( 0.000 -6.781 0.000) 6.781 14.140 ( 0.000 10.682 0.000) 10.682 14.357 ( 0.000 -2.961 0.000) 2.961 15.209 ( 0.000 -10.775 0.000) 10.775 15.628 ( 0.000 -14.428 0.000) 14.428 15.915 ( 0.000 -18.666 0.000) 18.666 16.009 ( 0.000 8.449 0.000) 8.449 17.165 ( 0.000 12.280 0.000) 12.280 18.938 ( 0.000 0.173 0.000) 0.173 18.993 ( 0.000 4.088 0.000) 4.088 ======================= Grid point 8 (6/160) ======================= q-point: ( 0.17 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 29.489 28.601 0.000) 41.081 1.186 ( 30.963 28.409 0.000) 42.021 2.044 ( 46.940 54.159 0.000) 71.670 3.821 ( -24.090 14.332 0.000) 28.031 4.155 ( -34.020 3.486 0.000) 34.198 5.136 ( 10.240 -1.112 0.000) 10.300 5.296 ( 22.624 -1.726 0.000) 22.690 5.600 ( 6.497 2.909 0.000) 7.119 5.859 ( -15.231 10.371 0.000) 18.426 6.023 ( -2.331 11.671 0.000) 11.902 6.289 ( 4.466 0.151 0.000) 4.469 6.712 ( -0.287 19.343 0.000) 19.345 6.970 ( -32.038 -0.042 0.000) 32.038 7.778 ( -29.065 34.907 0.000) 45.424 8.168 ( 9.687 14.258 0.000) 17.238 8.507 ( 30.001 -4.790 0.000) 30.381 9.283 ( -7.930 0.951 0.000) 7.987 9.819 ( 1.586 2.347 0.000) 2.832 9.939 ( -6.783 -0.386 0.000) 6.794 10.023 ( -2.105 0.358 0.000) 2.136 10.279 ( -1.504 16.854 0.000) 16.921 10.485 ( 6.961 -11.117 0.000) 13.116 11.119 ( 30.082 -15.332 0.000) 33.763 11.837 ( 12.544 -6.281 0.000) 14.029 12.338 ( -1.809 -27.422 0.000) 27.482 12.972 ( -2.038 1.051 0.000) 2.293 12.976 ( -2.806 -3.655 0.000) 4.607 13.874 ( -20.274 6.457 0.000) 21.277 14.510 ( 9.407 0.301 0.000) 9.412 15.147 ( -5.185 -7.022 0.000) 8.729 15.739 ( 7.711 -13.522 0.000) 15.566 15.968 ( 4.520 -17.913 0.000) 18.474 16.006 ( 0.073 9.362 0.000) 9.363 16.731 ( -23.508 27.724 0.000) 36.348 18.960 ( 1.013 1.340 0.000) 1.680 18.992 ( -0.109 4.069 0.000) 4.071 ======================= Grid point 9 (7/160) ======================= q-point: ( 0.33 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 37.476 16.454 0.000) 40.929 1.862 ( 35.593 20.839 0.000) 41.245 3.088 ( 46.449 30.502 0.000) 55.568 3.253 ( -31.864 15.811 0.000) 35.571 3.457 ( -27.523 7.767 0.000) 28.598 5.118 ( -25.831 0.671 0.000) 25.840 5.555 ( -2.865 13.749 0.000) 14.044 5.640 ( 9.516 -4.208 0.000) 10.405 5.777 ( 11.044 0.147 0.000) 11.045 6.001 ( 2.575 13.232 0.000) 13.481 6.294 ( -6.574 -2.581 0.000) 7.062 6.407 ( -19.624 2.520 0.000) 19.785 6.815 ( 9.223 21.987 0.000) 23.843 7.366 ( -16.349 26.995 0.000) 31.559 8.424 ( 15.414 11.180 0.000) 19.042 9.059 ( -14.045 3.644 0.000) 14.510 9.074 ( 26.295 -8.415 0.000) 27.609 9.772 ( -7.074 -4.966 0.000) 8.643 9.884 ( 0.948 -2.270 0.000) 2.460 9.969 ( -3.009 -0.211 0.000) 3.017 10.243 ( -1.737 18.927 0.000) 19.007 10.373 ( -10.388 11.750 0.000) 15.683 11.708 ( 25.992 -23.374 0.000) 34.956 12.193 ( 21.967 -6.419 0.000) 22.886 12.271 ( -5.495 -28.307 0.000) 28.835 12.907 ( -5.120 -1.601 0.000) 5.364 12.955 ( 0.736 -0.879 0.000) 1.147 13.412 ( -24.874 6.158 0.000) 25.625 14.689 ( 8.740 -0.368 0.000) 8.748 15.020 ( -7.444 -3.936 0.000) 8.420 15.868 ( 5.050 -6.530 0.000) 8.255 15.981 ( -1.280 2.070 0.000) 2.434 16.100 ( 7.001 -6.863 0.000) 9.804 16.413 ( -10.623 13.282 0.000) 17.008 18.973 ( 0.506 2.841 0.000) 2.885 18.988 ( -0.239 3.947 0.000) 3.954 ======================= Grid point 10 (8/160) ======================= q-point: (-0.50 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -7.463 11.721 0.000) 13.895 2.520 ( 7.463 11.721 0.000) 13.895 2.669 ( -11.562 16.507 0.000) 20.154 2.669 ( 11.562 16.507 0.000) 20.154 4.258 ( -52.576 17.511 0.000) 55.416 4.258 ( 52.576 17.511 0.000) 55.416 5.645 ( -5.534 2.342 0.000) 6.009 5.645 ( 5.534 2.342 0.000) 6.009 6.030 ( -14.184 -3.075 0.000) 14.514 6.030 ( 14.184 -3.075 0.000) 14.514 6.162 ( -10.717 7.665 0.000) 13.176 6.162 ( 10.717 7.665 0.000) 13.176 7.063 ( -14.454 23.443 0.000) 27.541 7.063 ( 14.454 23.443 0.000) 27.541 8.749 ( -16.625 7.335 0.000) 18.171 8.749 ( 16.625 7.335 0.000) 18.171 9.526 ( -18.334 -11.579 0.000) 21.684 9.526 ( 18.334 -11.579 0.000) 21.684 9.915 ( -2.188 -1.313 0.000) 2.552 9.915 ( 2.188 -1.313 0.000) 2.552 10.237 ( -2.318 21.202 0.000) 21.328 10.237 ( 2.318 21.202 0.000) 21.328 12.094 ( -13.177 -27.932 0.000) 30.885 12.094 ( 13.177 -27.932 0.000) 30.885 12.666 ( -22.010 -5.025 0.000) 22.577 12.666 ( 22.010 -5.025 0.000) 22.577 13.030 ( -9.249 5.403 0.000) 10.711 13.030 ( 9.249 5.403 0.000) 10.711 14.860 ( -8.480 -1.881 0.000) 8.686 14.860 ( 8.480 -1.881 0.000) 8.686 15.943 ( -2.705 -0.507 0.000) 2.752 15.943 ( 2.705 -0.507 0.000) 2.752 16.243 ( -7.433 0.521 0.000) 7.452 16.243 ( 7.433 0.521 0.000) 7.452 18.982 ( -0.367 3.586 0.000) 3.604 18.982 ( 0.367 3.586 0.000) 3.604 ======================= Grid point 14 (9/160) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 0.000 42.409 0.000) 42.409 1.650 ( 0.000 43.208 0.000) 43.208 2.938 ( 0.000 68.593 0.000) 68.593 4.424 ( 0.000 17.347 0.000) 17.347 4.733 ( 0.000 5.263 0.000) 5.263 4.950 ( 0.000 4.375 0.000) 4.375 5.020 ( 0.000 2.203 0.000) 2.203 5.661 ( 0.000 9.881 0.000) 9.881 6.209 ( 0.000 -0.960 0.000) 0.960 6.227 ( 0.000 11.649 0.000) 11.649 6.317 ( 0.000 14.701 0.000) 14.701 7.116 ( 0.000 18.864 0.000) 18.864 7.515 ( 0.000 8.226 0.000) 8.226 8.006 ( 0.000 1.003 0.000) 1.003 8.535 ( 0.000 30.847 0.000) 30.847 8.659 ( 0.000 12.253 0.000) 12.253 9.384 ( 0.000 2.766 0.000) 2.766 9.650 ( 0.000 -6.466 0.000) 6.466 9.977 ( 0.000 -4.222 0.000) 4.222 10.065 ( 0.000 1.653 0.000) 1.653 10.510 ( 0.000 32.366 0.000) 32.366 10.672 ( 0.000 -8.660 0.000) 8.660 10.718 ( 0.000 25.483 0.000) 25.483 11.614 ( 0.000 -7.999 0.000) 7.999 11.807 ( 0.000 -27.613 0.000) 27.613 12.831 ( 0.000 -13.191 0.000) 13.191 12.925 ( 0.000 -7.431 0.000) 7.431 14.262 ( 0.000 -6.941 0.000) 6.941 14.300 ( 0.000 3.803 0.000) 3.803 14.907 ( 0.000 -19.455 0.000) 19.455 15.289 ( 0.000 -18.638 0.000) 18.638 15.429 ( 0.000 -28.941 0.000) 28.941 16.278 ( 0.000 18.676 0.000) 18.676 17.445 ( 0.000 14.973 0.000) 14.973 18.933 ( 0.000 -0.851 0.000) 0.851 19.070 ( 0.000 2.897 0.000) 2.897 ======================= Grid point 15 (10/160) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 19.730 35.676 0.000) 40.768 1.830 ( 17.228 38.101 0.000) 41.814 3.232 ( 27.795 61.920 0.000) 67.873 4.155 ( -22.829 18.112 0.000) 29.141 4.273 ( -30.491 8.666 0.000) 31.699 5.124 ( 6.283 0.196 0.000) 6.287 5.287 ( 18.104 0.642 0.000) 18.115 5.719 ( 5.577 9.630 0.000) 11.128 6.083 ( -7.510 10.186 0.000) 12.655 6.293 ( -2.078 14.367 0.000) 14.517 6.332 ( 4.198 3.909 0.000) 5.736 6.983 ( -25.904 2.476 0.000) 26.022 7.215 ( -1.819 30.322 0.000) 30.377 8.352 ( -22.014 23.805 0.000) 32.424 8.410 ( 26.093 -3.158 0.000) 26.283 8.600 ( 6.431 28.441 0.000) 29.159 9.316 ( -5.903 2.477 0.000) 6.401 9.737 ( 4.341 -6.818 0.000) 8.082 9.942 ( -8.560 -1.649 0.000) 8.717 10.038 ( -2.568 1.418 0.000) 2.934 10.552 ( 10.786 11.355 0.000) 15.661 10.712 ( -0.580 25.696 0.000) 25.702 10.938 ( 16.883 -0.263 0.000) 16.885 11.692 ( 9.887 -8.991 0.000) 13.363 11.784 ( -2.455 -27.792 0.000) 27.900 12.829 ( 0.476 -10.826 0.000) 10.836 12.897 ( -2.864 -7.640 0.000) 8.159 13.942 ( -21.310 -0.038 0.000) 21.310 14.462 ( 6.668 -6.822 0.000) 9.539 14.879 ( -2.758 -19.024 0.000) 19.223 15.380 ( 7.842 -20.127 0.000) 21.601 15.511 ( 6.802 -26.410 0.000) 27.272 16.299 ( 2.355 19.911 0.000) 20.050 17.225 ( -18.121 21.836 0.000) 28.376 18.968 ( 2.590 -0.629 0.000) 2.665 19.068 ( -0.206 2.841 0.000) 2.848 ======================= Grid point 16 (11/160) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 27.691 28.235 0.000) 39.548 2.330 ( 29.383 26.054 0.000) 39.271 3.616 ( -32.756 15.978 0.000) 36.445 3.620 ( -29.744 19.995 0.000) 35.840 3.943 ( 39.072 44.903 0.000) 59.522 5.145 ( -7.500 2.098 0.000) 7.788 5.583 ( 11.508 -1.662 0.000) 11.628 5.856 ( 7.191 8.171 0.000) 10.885 5.908 ( -9.749 19.815 0.000) 22.083 6.267 ( 0.635 12.950 0.000) 12.965 6.289 ( -13.690 2.827 0.000) 13.979 6.480 ( -13.441 4.394 0.000) 14.141 7.339 ( 11.023 30.331 0.000) 32.272 7.948 ( -18.344 29.339 0.000) 34.602 8.759 ( 10.275 21.165 0.000) 23.527 8.917 ( 23.255 -5.133 0.000) 23.815 9.167 ( -8.945 6.464 0.000) 11.036 9.684 ( -14.873 -2.138 0.000) 15.026 9.815 ( 3.058 -3.949 0.000) 4.995 9.970 ( -4.074 0.596 0.000) 4.117 10.700 ( 2.150 18.331 0.000) 18.456 10.700 ( -0.396 25.984 0.000) 25.987 11.271 ( 16.093 -17.582 0.000) 23.835 11.704 ( -5.855 -27.957 0.000) 28.563 12.047 ( 24.262 -8.265 0.000) 25.631 12.800 ( -7.554 -8.332 0.000) 11.247 12.875 ( 4.613 -7.068 0.000) 8.440 13.467 ( -25.035 -0.569 0.000) 25.042 14.581 ( 5.767 -11.731 0.000) 13.072 14.802 ( -4.797 -17.500 0.000) 18.145 15.542 ( 7.331 -21.300 0.000) 22.527 15.631 ( 3.942 -23.632 0.000) 23.959 16.387 ( 6.816 22.644 0.000) 23.648 16.862 ( -16.841 25.953 0.000) 30.938 19.014 ( 1.893 0.704 0.000) 2.020 19.061 ( -0.588 2.576 0.000) 2.642 ======================= Grid point 17 (12/160) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( -7.033 18.273 0.000) 19.580 2.815 ( 7.033 18.273 0.000) 19.580 3.083 ( -6.097 23.831 0.000) 24.599 3.083 ( 6.097 23.831 0.000) 24.599 4.714 ( -34.342 25.864 0.000) 42.992 4.714 ( 34.342 25.864 0.000) 42.992 5.750 ( -6.287 8.796 0.000) 10.812 5.750 ( 6.287 8.796 0.000) 10.812 6.009 ( -9.957 2.463 0.000) 10.257 6.009 ( 9.957 2.463 0.000) 10.257 6.337 ( -5.640 8.638 0.000) 10.316 6.337 ( 5.640 8.638 0.000) 10.316 7.611 ( -15.675 30.161 0.000) 33.991 7.611 ( 15.675 30.161 0.000) 33.991 8.970 ( -10.608 13.914 0.000) 17.496 8.970 ( 10.608 13.914 0.000) 17.496 9.342 ( -19.413 -5.651 0.000) 20.219 9.342 ( 19.413 -5.651 0.000) 20.219 9.887 ( -4.061 -1.104 0.000) 4.208 9.887 ( 4.061 -1.104 0.000) 4.208 10.702 ( -0.527 24.817 0.000) 24.823 10.702 ( 0.527 24.817 0.000) 24.823 11.541 ( -10.791 -26.385 0.000) 28.506 11.541 ( 10.791 -26.385 0.000) 28.506 12.533 ( -20.909 -8.254 0.000) 22.479 12.533 ( 20.909 -8.254 0.000) 22.479 13.048 ( -14.533 -2.934 0.000) 14.827 13.048 ( 14.533 -2.934 0.000) 14.827 14.696 ( -5.721 -15.050 0.000) 16.100 14.696 ( 5.721 -15.050 0.000) 16.100 15.644 ( -2.532 -21.970 0.000) 22.115 15.644 ( 2.532 -21.970 0.000) 22.115 16.575 ( -12.056 24.861 0.000) 27.630 16.575 ( 12.056 24.861 0.000) 27.630 19.044 ( -1.157 1.904 0.000) 2.228 19.044 ( 1.157 1.904 0.000) 2.228 ======================= Grid point 21 (13/160) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 0.000 43.677 0.000) 43.677 2.507 ( 0.000 43.421 0.000) 43.421 4.170 ( 0.000 55.169 0.000) 55.169 4.756 ( 0.000 16.170 0.000) 16.170 4.885 ( 0.000 10.074 0.000) 10.074 5.050 ( 0.000 5.890 0.000) 5.890 5.079 ( 0.000 3.849 0.000) 3.849 5.936 ( 0.000 18.085 0.000) 18.085 6.169 ( 0.000 -3.194 0.000) 3.194 6.443 ( 0.000 9.803 0.000) 9.803 6.590 ( 0.000 12.379 0.000) 12.379 7.259 ( 0.000 -0.755 0.000) 0.755 7.952 ( 0.000 31.534 0.000) 31.534 8.095 ( 0.000 8.194 0.000) 8.194 8.863 ( 0.000 6.992 0.000) 6.992 9.254 ( 0.000 39.824 0.000) 39.824 9.496 ( 0.000 -8.715 0.000) 8.715 9.516 ( 0.000 11.384 0.000) 11.384 9.894 ( 0.000 -4.112 0.000) 4.112 10.116 ( 0.000 3.767 0.000) 3.767 10.492 ( 0.000 -8.522 0.000) 8.522 11.234 ( 0.000 39.645 0.000) 39.645 11.246 ( 0.000 26.690 0.000) 26.690 11.304 ( 0.000 -22.190 0.000) 22.190 11.411 ( 0.000 -12.713 0.000) 12.713 12.515 ( 0.000 -18.667 0.000) 18.667 12.722 ( 0.000 -12.798 0.000) 12.798 14.056 ( 0.000 -15.188 0.000) 15.188 14.285 ( 0.000 -4.412 0.000) 4.412 14.462 ( 0.000 -25.245 0.000) 25.245 14.854 ( 0.000 -26.992 0.000) 26.992 14.928 ( 0.000 -17.531 0.000) 17.531 16.707 ( 0.000 23.534 0.000) 23.534 17.728 ( 0.000 13.428 0.000) 13.428 18.896 ( 0.000 -3.045 0.000) 3.045 19.082 ( 0.000 -2.084 0.000) 2.084 ======================= Grid point 22 (14/160) ======================= q-point: ( 0.17 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 10.496 39.107 0.000) 40.491 2.614 ( 10.575 40.784 0.000) 42.132 4.360 ( 14.167 46.210 0.000) 48.333 4.504 ( -21.165 16.943 0.000) 27.111 4.516 ( -20.393 20.268 0.000) 28.751 5.150 ( 4.014 2.549 0.000) 4.755 5.318 ( 14.362 2.642 0.000) 14.603 5.987 ( 4.742 17.533 0.000) 18.163 6.193 ( 1.346 1.049 0.000) 1.707 6.445 ( 0.254 6.982 0.000) 6.987 6.553 ( -3.299 11.564 0.000) 12.026 7.066 ( -18.302 5.565 0.000) 19.129 7.856 ( 0.088 32.626 0.000) 32.626 8.402 ( 19.963 3.853 0.000) 20.332 8.724 ( -11.845 13.591 0.000) 18.028 9.266 ( 1.348 36.715 0.000) 36.740 9.363 ( -6.208 1.062 0.000) 6.298 9.647 ( 6.155 -1.058 0.000) 6.245 9.931 ( -1.206 2.586 0.000) 2.854 10.089 ( -2.647 4.241 0.000) 4.999 10.505 ( 5.062 -10.856 0.000) 11.979 11.202 ( -3.728 7.785 0.000) 8.632 11.309 ( 1.615 21.431 0.000) 21.492 11.314 ( 0.335 -3.836 0.000) 3.851 11.512 ( 14.574 -0.405 0.000) 14.580 12.557 ( 4.147 -16.760 0.000) 17.265 12.694 ( -2.946 -12.666 0.000) 13.004 13.889 ( -19.106 -4.797 0.000) 19.699 14.197 ( -1.520 -20.160 0.000) 20.217 14.434 ( -2.593 -25.371 0.000) 25.503 14.995 ( 6.044 -18.511 0.000) 19.473 15.013 ( 11.004 -22.202 0.000) 24.779 16.744 ( 3.864 23.916 0.000) 24.226 17.601 ( -11.520 16.560 0.000) 20.173 18.931 ( 2.938 -3.224 0.000) 4.362 19.079 ( -0.310 -2.100 0.000) 2.123 ======================= Grid point 23 (15/160) ======================= q-point: ( 0.33 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 20.285 29.471 0.000) 35.777 2.910 ( 18.509 33.932 0.000) 38.652 3.970 ( -26.482 20.750 0.000) 33.643 4.012 ( -26.783 19.608 0.000) 33.194 4.823 ( 22.099 39.203 0.000) 45.003 5.198 ( 0.426 3.028 0.000) 3.058 5.598 ( 15.610 5.038 0.000) 16.403 6.094 ( 5.107 15.765 0.000) 16.572 6.194 ( -1.036 7.945 0.000) 8.013 6.421 ( -6.575 7.195 0.000) 9.747 6.488 ( -2.421 9.223 0.000) 9.535 6.630 ( -20.604 14.165 0.000) 25.004 7.962 ( 9.436 31.544 0.000) 32.925 8.463 ( -13.706 22.185 0.000) 26.078 8.795 ( 18.709 -2.343 0.000) 18.855 9.250 ( -5.693 1.390 0.000) 5.861 9.318 ( 4.319 28.941 0.000) 29.261 9.695 ( -6.827 -2.472 0.000) 7.261 9.837 ( -0.463 13.400 0.000) 13.408 10.016 ( -4.602 5.291 0.000) 7.012 10.711 ( 12.879 -16.500 0.000) 20.931 11.104 ( -6.250 -6.774 0.000) 9.217 11.301 ( -0.835 13.778 0.000) 13.803 11.309 ( -0.719 8.951 0.000) 8.980 11.928 ( 24.199 1.021 0.000) 24.220 12.597 ( -7.230 -11.840 0.000) 13.873 12.681 ( 8.693 -12.623 0.000) 15.327 13.414 ( -26.058 -4.042 0.000) 26.369 14.222 ( 2.833 -23.879 0.000) 24.046 14.369 ( -3.753 -25.388 0.000) 25.664 15.128 ( 6.409 -19.858 0.000) 20.867 15.184 ( 5.345 -20.571 0.000) 21.254 16.864 ( 8.215 24.385 0.000) 25.732 17.333 ( -14.210 21.237 0.000) 25.553 18.992 ( 2.866 -3.019 0.000) 4.163 19.067 ( -0.947 -2.216 0.000) 2.410 ======================= Grid point 24 (16/160) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( -0.002 22.865 0.000) 22.865 3.226 ( 0.002 22.865 0.000) 22.865 3.587 ( -2.222 27.286 0.000) 27.376 3.587 ( 2.222 27.286 0.000) 27.376 5.134 ( -8.282 14.028 0.000) 16.291 5.134 ( 8.282 14.028 0.000) 16.291 6.007 ( -25.220 16.959 0.000) 30.392 6.007 ( 25.220 16.959 0.000) 30.392 6.165 ( -2.225 13.682 0.000) 13.862 6.165 ( 2.225 13.682 0.000) 13.862 6.480 ( -1.606 6.200 0.000) 6.404 6.480 ( 1.606 6.200 0.000) 6.404 8.193 ( -13.114 27.933 0.000) 30.859 8.193 ( 13.114 27.933 0.000) 30.859 9.099 ( -10.930 -1.495 0.000) 11.031 9.099 ( 10.930 -1.495 0.000) 11.031 9.466 ( -11.092 15.850 0.000) 19.345 9.466 ( 11.092 15.850 0.000) 19.345 9.915 ( -5.250 6.753 0.000) 8.554 9.915 ( 5.250 6.753 0.000) 8.554 10.944 ( -10.020 -15.089 0.000) 18.113 10.944 ( 10.020 -15.089 0.000) 18.113 11.296 ( -0.345 14.337 0.000) 14.341 11.296 ( 0.345 14.337 0.000) 14.341 12.366 ( -17.387 -7.343 0.000) 18.874 12.366 ( 17.387 -7.343 0.000) 18.874 12.943 ( -19.057 -6.905 0.000) 20.270 12.943 ( 19.057 -6.905 0.000) 20.270 14.291 ( -3.883 -24.881 0.000) 25.182 14.291 ( 3.883 -24.881 0.000) 25.182 15.217 ( -1.858 -20.365 0.000) 20.450 15.217 ( 1.858 -20.365 0.000) 20.450 17.067 ( -12.102 23.758 0.000) 26.663 17.067 ( 12.102 23.758 0.000) 26.663 19.039 ( -1.900 -2.542 0.000) 3.174 19.039 ( 1.900 -2.542 0.000) 3.174 ======================= Grid point 28 (17/160) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( 0.000 43.709 0.000) 43.709 3.344 ( 0.000 41.057 0.000) 41.057 5.048 ( 0.000 30.583 0.000) 30.583 5.051 ( 0.000 13.354 0.000) 13.354 5.117 ( 0.000 12.917 0.000) 12.917 5.173 ( 0.000 5.619 0.000) 5.619 5.202 ( 0.000 12.354 0.000) 12.354 6.085 ( 0.000 -5.222 0.000) 5.222 6.358 ( 0.000 23.387 0.000) 23.387 6.609 ( 0.000 7.285 0.000) 7.285 6.788 ( 0.000 7.445 0.000) 7.445 7.208 ( 0.000 -3.541 0.000) 3.541 8.317 ( 0.000 13.685 0.000) 13.685 8.613 ( 0.000 34.632 0.000) 34.632 8.939 ( 0.000 2.346 0.000) 2.346 9.330 ( 0.000 -7.368 0.000) 7.368 9.766 ( 0.000 9.538 0.000) 9.538 9.818 ( 0.000 -3.593 0.000) 3.593 9.915 ( 0.000 18.899 0.000) 18.899 10.221 ( 0.000 7.077 0.000) 7.077 10.424 ( 0.000 5.559 0.000) 5.559 11.063 ( 0.000 4.365 0.000) 4.365 11.116 ( 0.000 -17.046 0.000) 17.046 11.706 ( 0.000 18.055 0.000) 18.055 11.958 ( 0.000 15.264 0.000) 15.264 12.163 ( 0.000 0.359 0.000) 0.359 12.427 ( 0.000 -17.041 0.000) 17.041 13.638 ( 0.000 -25.749 0.000) 25.749 13.931 ( 0.000 -28.169 0.000) 28.169 14.169 ( 0.000 -6.322 0.000) 6.322 14.445 ( 0.000 -14.262 0.000) 14.262 14.613 ( 0.000 -14.333 0.000) 14.333 17.163 ( 0.000 22.039 0.000) 22.039 17.966 ( 0.000 10.615 0.000) 10.615 18.812 ( 0.000 -5.438 0.000) 5.438 18.982 ( 0.000 -7.961 0.000) 7.961 ======================= Grid point 29 (18/160) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 2.789 39.588 0.000) 39.686 3.409 ( 6.471 39.316 0.000) 39.845 4.794 ( -17.561 17.761 0.000) 24.976 4.816 ( -18.958 14.687 0.000) 23.982 5.217 ( 1.883 3.854 0.000) 4.289 5.219 ( 5.746 24.944 0.000) 25.597 5.427 ( 18.404 13.129 0.000) 22.607 6.160 ( 5.946 -3.831 0.000) 7.073 6.396 ( 3.391 22.620 0.000) 22.873 6.586 ( -1.860 7.375 0.000) 7.606 6.739 ( -4.541 7.547 0.000) 8.808 7.167 ( -5.122 3.819 0.000) 6.388 8.356 ( 4.365 15.398 0.000) 16.005 8.689 ( 7.120 27.729 0.000) 28.628 8.892 ( -3.871 4.578 0.000) 5.996 9.355 ( 0.344 -0.230 0.000) 0.414 9.648 ( -3.606 -0.678 0.000) 3.669 9.853 ( -5.420 15.772 0.000) 16.677 10.044 ( 14.352 1.334 0.000) 14.414 10.231 ( 0.565 9.152 0.000) 9.169 10.369 ( -5.064 5.862 0.000) 7.747 11.005 ( -5.558 2.829 0.000) 6.237 11.141 ( 3.803 -16.694 0.000) 17.122 11.696 ( -1.325 16.317 0.000) 16.371 12.093 ( 11.549 26.504 0.000) 28.911 12.187 ( 3.097 -11.576 0.000) 11.983 12.409 ( -1.813 -15.912 0.000) 16.015 13.654 ( 1.420 -24.910 0.000) 24.950 13.844 ( -22.826 -6.454 0.000) 23.721 13.905 ( -2.406 -27.724 0.000) 27.828 14.661 ( 11.954 -14.165 0.000) 18.535 14.662 ( 4.607 -15.170 0.000) 15.854 17.201 ( 3.830 21.796 0.000) 22.130 17.884 ( -7.621 12.325 0.000) 14.491 18.841 ( 2.520 -5.868 0.000) 6.386 18.980 ( -0.242 -7.859 0.000) 7.862 ======================= Grid point 30 (19/160) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( 10.375 30.537 0.000) 32.251 3.586 ( 10.455 33.769 0.000) 35.351 4.396 ( -21.106 19.580 0.000) 28.790 4.424 ( -18.533 24.754 0.000) 30.923 5.247 ( 1.323 1.492 0.000) 1.994 5.279 ( 0.780 7.588 0.000) 7.628 5.889 ( 25.721 21.571 0.000) 33.569 6.273 ( 4.897 -0.302 0.000) 4.906 6.468 ( 2.959 21.674 0.000) 21.875 6.550 ( -1.964 8.876 0.000) 9.090 6.637 ( -4.334 6.877 0.000) 8.129 6.971 ( -14.605 16.766 0.000) 22.235 8.492 ( 8.706 18.002 0.000) 19.997 8.801 ( -5.456 11.629 0.000) 12.845 8.875 ( 11.170 14.656 0.000) 18.427 9.293 ( -6.531 5.255 0.000) 8.383 9.622 ( -0.028 -3.651 0.000) 3.651 9.735 ( -5.751 9.793 0.000) 11.356 10.232 ( -0.487 12.181 0.000) 12.191 10.254 ( -2.435 22.078 0.000) 22.212 10.357 ( 13.719 -13.690 0.000) 19.381 10.854 ( -9.491 -0.724 0.000) 9.518 11.285 ( 9.996 -12.308 0.000) 15.855 11.636 ( -5.064 9.750 0.000) 10.986 12.219 ( 3.430 9.904 0.000) 10.481 12.359 ( -3.102 -11.673 0.000) 12.078 12.434 ( 18.869 0.702 0.000) 18.882 13.352 ( -25.361 -0.600 0.000) 25.368 13.704 ( 2.894 -26.750 0.000) 26.906 13.844 ( -3.578 -27.054 0.000) 27.289 14.771 ( 5.594 -16.375 0.000) 17.304 14.830 ( 4.780 -15.662 0.000) 16.375 17.313 ( 7.400 20.828 0.000) 22.103 17.696 ( -10.559 15.755 0.000) 18.966 18.896 ( 2.745 -6.587 0.000) 7.136 18.970 ( -0.889 -7.578 0.000) 7.630 ======================= Grid point 31 (20/160) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( -5.881 23.959 0.000) 24.670 3.692 ( 5.881 23.959 0.000) 24.670 4.151 ( -3.338 29.610 0.000) 29.797 4.151 ( 3.338 29.610 0.000) 29.797 5.272 ( -1.093 1.751 0.000) 2.064 5.272 ( 1.093 1.751 0.000) 2.064 6.296 ( -8.446 7.307 0.000) 11.168 6.296 ( 8.446 7.307 0.000) 11.168 6.490 ( -2.430 17.269 0.000) 17.439 6.490 ( 2.430 17.269 0.000) 17.439 6.673 ( -10.280 16.913 0.000) 19.793 6.673 ( 10.280 16.913 0.000) 19.793 8.666 ( -8.136 17.889 0.000) 19.652 8.666 ( 8.136 17.889 0.000) 19.652 9.108 ( -11.442 5.733 0.000) 12.798 9.108 ( 11.442 5.733 0.000) 12.798 9.646 ( -2.837 2.788 0.000) 3.978 9.646 ( 2.837 2.788 0.000) 3.978 10.223 ( -0.093 15.008 0.000) 15.008 10.223 ( 0.093 15.008 0.000) 15.008 10.632 ( -12.739 -4.881 0.000) 13.642 10.632 ( 12.739 -4.881 0.000) 13.642 11.490 ( -9.490 -1.729 0.000) 9.646 11.490 ( 9.490 -1.729 0.000) 9.646 12.290 ( -3.669 -3.392 0.000) 4.996 12.290 ( 3.669 -3.392 0.000) 4.996 12.859 ( -23.619 3.311 0.000) 23.850 12.859 ( 23.619 3.311 0.000) 23.850 13.770 ( -3.671 -26.673 0.000) 26.924 13.770 ( 3.671 -26.673 0.000) 26.924 14.853 ( -2.035 -16.566 0.000) 16.690 14.853 ( 2.035 -16.566 0.000) 16.690 17.488 ( -9.956 18.813 0.000) 21.285 17.488 ( 9.956 18.813 0.000) 21.285 18.943 ( -1.886 -7.158 0.000) 7.402 18.943 ( 1.886 -7.158 0.000) 7.402 ======================= Grid point 35 (21/160) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.103 ( 0.000 35.522 0.000) 35.522 4.172 ( 0.000 41.385 0.000) 41.385 5.261 ( 0.000 7.342 0.000) 7.342 5.299 ( 0.000 7.193 0.000) 7.193 5.320 ( 0.000 8.512 0.000) 8.512 5.369 ( 0.000 11.988 0.000) 11.988 5.602 ( 0.000 17.317 0.000) 17.317 5.962 ( 0.000 -7.341 0.000) 7.341 6.741 ( 0.000 6.275 0.000) 6.275 6.751 ( 0.000 13.493 0.000) 13.493 6.880 ( 0.000 1.987 0.000) 1.987 7.133 ( 0.000 -3.956 0.000) 3.956 8.610 ( 0.000 15.550 0.000) 15.550 9.032 ( 0.000 8.741 0.000) 8.741 9.234 ( 0.000 -1.803 0.000) 1.803 9.303 ( 0.000 35.239 0.000) 35.239 9.752 ( 0.000 -3.162 0.000) 3.162 9.804 ( 0.000 -3.126 0.000) 3.126 9.892 ( 0.000 -13.766 0.000) 13.766 10.400 ( 0.000 11.056 0.000) 11.056 10.746 ( 0.000 -2.779 0.000) 2.779 10.789 ( 0.000 11.676 0.000) 11.676 11.519 ( 0.000 32.751 0.000) 32.751 11.577 ( 0.000 -26.288 0.000) 26.288 11.859 ( 0.000 -4.868 0.000) 4.868 12.062 ( 0.000 -19.185 0.000) 19.185 12.728 ( 0.000 25.499 0.000) 25.499 13.168 ( 0.000 -18.965 0.000) 18.965 13.394 ( 0.000 -22.679 0.000) 22.679 14.069 ( 0.000 -3.252 0.000) 3.252 14.250 ( 0.000 -6.580 0.000) 6.580 14.359 ( 0.000 -11.726 0.000) 11.726 17.561 ( 0.000 18.408 0.000) 18.408 18.148 ( 0.000 7.980 0.000) 7.980 18.688 ( 0.000 -6.943 0.000) 6.943 18.776 ( 0.000 -12.652 0.000) 12.652 ======================= Grid point 36 (22/160) ======================= q-point: ( 0.17 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.105 ( -4.715 36.676 0.000) 36.978 4.137 ( 3.117 33.844 0.000) 33.988 5.087 ( -14.795 13.125 0.000) 19.777 5.154 ( -11.014 18.300 0.000) 21.359 5.278 ( -1.791 1.563 0.000) 2.377 5.394 ( -2.307 2.861 0.000) 3.675 5.814 ( 18.678 16.093 0.000) 24.655 6.051 ( 6.993 -7.282 0.000) 10.096 6.733 ( -0.403 7.900 0.000) 7.910 6.741 ( 0.751 8.435 0.000) 8.468 6.916 ( 2.042 11.997 0.000) 12.169 7.201 ( 4.793 -0.395 0.000) 4.810 8.621 ( 1.584 13.630 0.000) 13.722 8.969 ( -2.787 4.909 0.000) 5.645 9.321 ( 1.512 33.812 0.000) 33.846 9.399 ( 11.680 4.903 0.000) 12.667 9.616 ( -8.202 -2.338 0.000) 8.528 9.847 ( -4.262 -12.175 0.000) 12.900 9.911 ( 5.412 -8.683 0.000) 10.231 10.372 ( -2.785 8.466 0.000) 8.912 10.721 ( -0.640 6.094 0.000) 6.128 10.853 ( 6.465 5.212 0.000) 8.305 11.431 ( -8.091 30.598 0.000) 31.650 11.690 ( 9.739 -25.763 0.000) 27.542 11.787 ( -6.941 -8.200 0.000) 10.743 12.089 ( 1.812 -16.175 0.000) 16.276 12.770 ( 4.346 25.181 0.000) 25.553 13.186 ( 1.714 -19.117 0.000) 19.194 13.381 ( -1.264 -21.790 0.000) 21.827 13.810 ( -17.321 2.212 0.000) 17.462 14.395 ( 3.415 -12.276 0.000) 12.743 14.430 ( 9.434 -9.726 0.000) 13.549 17.592 ( 3.078 17.974 0.000) 18.235 18.093 ( -5.136 9.129 0.000) 10.475 18.706 ( 1.564 -7.607 0.000) 7.766 18.777 ( 0.097 -12.413 0.000) 12.414 ======================= Grid point 37 (23/160) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.062 ( 1.440 28.484 0.000) 28.520 4.201 ( 1.940 27.698 0.000) 27.766 4.793 ( -11.734 20.892 0.000) 23.961 4.918 ( -11.914 24.340 0.000) 27.099 5.246 ( -0.939 -1.643 0.000) 1.893 5.320 ( -4.172 -0.843 0.000) 4.256 6.176 ( 13.565 4.776 0.000) 14.381 6.189 ( 6.374 -7.607 0.000) 9.925 6.783 ( 3.237 13.654 0.000) 14.032 6.787 ( 7.217 11.650 0.000) 13.705 6.925 ( -1.055 20.278 0.000) 20.305 7.229 ( -3.671 8.930 0.000) 9.655 8.697 ( 6.463 8.041 0.000) 10.316 8.941 ( -1.354 4.479 0.000) 4.679 9.347 ( 0.763 27.522 0.000) 27.533 9.436 ( -7.185 3.191 0.000) 7.862 9.608 ( 6.038 6.602 0.000) 8.947 9.747 ( -4.869 -7.027 0.000) 8.549 10.020 ( 6.494 -13.269 0.000) 14.773 10.291 ( -5.283 1.999 0.000) 5.649 10.785 ( 7.479 15.479 0.000) 17.191 11.042 ( 12.256 -1.097 0.000) 12.305 11.230 ( -11.580 27.016 0.000) 29.393 11.593 ( -12.326 -10.157 0.000) 15.972 11.893 ( 9.470 -24.091 0.000) 25.886 12.102 ( -0.959 -16.583 0.000) 16.611 12.905 ( 9.252 22.481 0.000) 24.311 13.229 ( 2.247 -20.825 0.000) 20.946 13.346 ( -2.241 -19.343 0.000) 19.472 13.463 ( -16.789 12.118 0.000) 20.706 14.481 ( 4.780 -13.270 0.000) 14.104 14.556 ( 3.139 -12.369 0.000) 12.761 17.681 ( 5.721 16.636 0.000) 17.593 17.963 ( -7.456 11.710 0.000) 13.882 18.739 ( 1.627 -9.046 0.000) 9.191 18.777 ( -0.233 -11.697 0.000) 11.699 ======================= Grid point 38 (24/160) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.153 ( -6.016 22.415 0.000) 23.208 4.153 ( 6.016 22.415 0.000) 23.208 4.729 ( -5.260 28.070 0.000) 28.558 4.729 ( 5.260 28.070 0.000) 28.558 5.255 ( -2.011 -2.645 0.000) 3.323 5.255 ( 2.011 -2.645 0.000) 3.323 6.279 ( -1.564 -6.524 0.000) 6.709 6.279 ( 1.564 -6.524 0.000) 6.709 6.854 ( -3.273 18.519 0.000) 18.806 6.854 ( 3.273 18.519 0.000) 18.806 7.045 ( -13.271 17.462 0.000) 21.933 7.045 ( 13.271 17.462 0.000) 21.933 8.854 ( -7.640 4.337 0.000) 8.785 8.854 ( 7.640 4.337 0.000) 8.785 9.353 ( -0.901 12.945 0.000) 12.976 9.353 ( 0.901 12.945 0.000) 12.976 9.677 ( -2.385 2.960 0.000) 3.801 9.677 ( 2.385 2.960 0.000) 3.801 10.165 ( -7.287 -6.597 0.000) 9.829 10.165 ( 7.287 -6.597 0.000) 9.829 10.990 ( -12.063 22.378 0.000) 25.422 10.990 ( 12.063 22.378 0.000) 25.422 11.317 ( -14.729 -7.703 0.000) 16.622 11.317 ( 14.729 -7.703 0.000) 16.622 12.042 ( -5.277 -20.405 0.000) 21.076 12.042 ( 5.277 -20.405 0.000) 21.076 13.134 ( -13.281 11.817 0.000) 17.777 13.134 ( 13.281 11.817 0.000) 17.777 13.299 ( -2.006 -12.876 0.000) 13.031 13.299 ( 2.006 -12.876 0.000) 13.031 14.559 ( -2.452 -13.511 0.000) 13.732 14.559 ( 2.452 -13.511 0.000) 13.732 17.813 ( -7.376 14.447 0.000) 16.221 17.813 ( 7.376 14.447 0.000) 16.221 18.766 ( -0.951 -10.530 0.000) 10.572 18.766 ( 0.951 -10.530 0.000) 10.572 ======================= Grid point 42 (25/160) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.723 ( 0.000 26.887 0.000) 26.887 4.929 ( 0.000 34.288 0.000) 34.288 5.316 ( 0.000 -2.435 0.000) 2.435 5.452 ( 0.000 8.142 0.000) 8.142 5.460 ( 0.000 4.949 0.000) 4.949 5.564 ( 0.000 7.506 0.000) 7.506 5.796 ( 0.000 1.702 0.000) 1.702 5.798 ( 0.000 -9.119 0.000) 9.119 6.859 ( 0.000 -0.489 0.000) 0.489 6.859 ( 0.000 5.716 0.000) 5.716 6.877 ( 0.000 -1.726 0.000) 1.726 7.053 ( 0.000 -4.195 0.000) 4.195 8.919 ( 0.000 15.769 0.000) 15.769 9.274 ( 0.000 5.762 0.000) 5.762 9.278 ( 0.000 13.708 0.000) 13.708 9.564 ( 0.000 -17.053 0.000) 17.053 9.691 ( 0.000 -3.072 0.000) 3.072 9.717 ( 0.000 -5.454 0.000) 5.454 10.001 ( 0.000 34.441 0.000) 34.441 10.487 ( 0.000 -6.747 0.000) 6.747 10.638 ( 0.000 11.524 0.000) 11.524 11.047 ( 0.000 -26.522 0.000) 26.522 11.369 ( 0.000 32.086 0.000) 32.086 11.539 ( 0.000 -23.041 0.000) 23.041 11.624 ( 0.000 -19.654 0.000) 19.654 12.183 ( 0.000 27.373 0.000) 27.373 12.617 ( 0.000 -28.012 0.000) 28.012 12.897 ( 0.000 -11.275 0.000) 11.275 13.468 ( 0.000 21.240 0.000) 21.240 14.051 ( 0.000 1.212 0.000) 1.212 14.130 ( 0.000 -12.183 0.000) 12.183 14.159 ( 0.000 -3.299 0.000) 3.299 17.896 ( 0.000 15.868 0.000) 15.868 18.288 ( 0.000 6.511 0.000) 6.511 18.500 ( 0.000 -14.961 0.000) 14.961 18.548 ( 0.000 -7.083 0.000) 7.083 ======================= Grid point 43 (26/160) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.716 ( -1.094 24.384 0.000) 24.409 4.759 ( -12.004 28.764 0.000) 31.169 5.251 ( -6.506 -4.150 0.000) 7.716 5.350 ( -6.553 13.225 0.000) 14.760 5.380 ( -10.982 -3.060 0.000) 11.400 5.515 ( -0.711 16.174 0.000) 16.190 5.870 ( 5.533 -11.067 0.000) 12.373 5.969 ( 11.387 -0.750 0.000) 11.411 6.837 ( 4.642 5.721 0.000) 7.367 6.909 ( 5.144 8.293 0.000) 9.759 7.059 ( 10.490 0.635 0.000) 10.510 7.158 ( 8.790 -3.768 0.000) 9.564 8.904 ( -1.290 14.972 0.000) 15.028 9.118 ( -5.683 10.115 0.000) 11.602 9.487 ( 3.485 -1.632 0.000) 3.849 9.538 ( -2.751 -16.991 0.000) 17.212 9.593 ( 2.124 3.714 0.000) 4.278 9.781 ( 2.697 -4.637 0.000) 5.364 9.988 ( -1.255 33.293 0.000) 33.317 10.536 ( 5.149 -4.543 0.000) 6.867 10.583 ( -5.505 10.950 0.000) 12.256 11.134 ( 7.471 -22.490 0.000) 23.698 11.430 ( 6.051 27.799 0.000) 28.450 11.449 ( -8.473 -19.775 0.000) 21.514 11.611 ( -1.667 -20.633 0.000) 20.700 12.126 ( -5.387 25.241 0.000) 25.809 12.641 ( 2.374 -27.719 0.000) 27.821 12.888 ( -1.075 -13.634 0.000) 13.676 13.488 ( 1.991 21.804 0.000) 21.895 13.922 ( -8.139 8.367 0.000) 11.672 14.158 ( 2.709 -12.441 0.000) 12.732 14.261 ( 5.407 -7.902 0.000) 9.575 17.918 ( 2.207 15.444 0.000) 15.601 18.254 ( -3.229 7.489 0.000) 8.156 18.507 ( 0.679 -14.625 0.000) 14.641 18.550 ( 0.174 -7.938 0.000) 7.940 ======================= Grid point 44 (27/160) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.576 ( -5.214 23.201 0.000) 23.779 4.658 ( -4.905 18.769 0.000) 19.400 5.109 ( -5.551 -0.426 0.000) 5.567 5.173 ( -8.510 -4.880 0.000) 9.810 5.282 ( -0.049 16.152 0.000) 16.152 5.449 ( -5.337 19.644 0.000) 20.356 5.983 ( 5.529 -13.298 0.000) 14.402 6.108 ( 1.959 -9.868 0.000) 10.061 7.041 ( 13.582 12.658 0.000) 18.566 7.046 ( 7.781 12.254 0.000) 14.515 7.215 ( 4.203 7.902 0.000) 8.950 7.316 ( 5.062 0.050 0.000) 5.062 8.888 ( 0.466 11.603 0.000) 11.613 9.039 ( -3.390 6.156 0.000) 7.028 9.358 ( -6.371 -7.803 0.000) 10.073 9.452 ( -5.696 -14.767 0.000) 15.828 9.829 ( 4.986 7.249 0.000) 8.798 9.875 ( 14.960 1.168 0.000) 15.006 9.954 ( -2.109 27.274 0.000) 27.355 10.426 ( -10.136 9.179 0.000) 13.675 10.690 ( 10.229 -4.267 0.000) 11.083 11.223 ( -13.760 -15.279 0.000) 20.562 11.297 ( 8.237 -15.520 0.000) 17.570 11.553 ( -4.170 -18.716 0.000) 19.175 11.594 ( 9.833 19.517 0.000) 21.854 11.984 ( -8.578 20.872 0.000) 22.566 12.705 ( 3.790 -26.498 0.000) 26.767 12.849 ( -2.767 -18.881 0.000) 19.082 13.548 ( 3.986 22.720 0.000) 23.067 13.770 ( -7.016 16.963 0.000) 18.357 14.229 ( 4.164 -12.953 0.000) 13.606 14.327 ( 1.024 -11.477 0.000) 11.523 17.980 ( 3.990 14.173 0.000) 14.724 18.171 ( -4.854 9.719 0.000) 10.864 18.524 ( 0.937 -13.603 0.000) 13.636 18.551 ( -0.224 -9.863 0.000) 9.866 ======================= Grid point 45 (28/160) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.561 ( -3.209 18.768 0.000) 19.040 4.561 ( 3.209 18.768 0.000) 19.040 5.069 ( -1.686 -2.959 0.000) 3.406 5.069 ( 1.686 -2.959 0.000) 3.406 5.338 ( -4.995 19.942 0.000) 20.558 5.338 ( 4.995 19.942 0.000) 20.558 6.079 ( -3.823 -13.430 0.000) 13.964 6.079 ( 3.823 -13.430 0.000) 13.964 7.175 ( -3.559 13.206 0.000) 13.678 7.175 ( 3.559 13.206 0.000) 13.678 7.303 ( -6.314 7.972 0.000) 10.169 7.303 ( 6.314 7.972 0.000) 10.169 8.946 ( -5.105 6.145 0.000) 7.989 8.946 ( 5.105 6.145 0.000) 7.989 9.342 ( -4.092 -10.478 0.000) 11.249 9.342 ( 4.092 -10.478 0.000) 11.249 9.901 ( -3.228 15.829 0.000) 16.154 9.901 ( 3.228 15.829 0.000) 16.154 10.184 ( -14.211 6.352 0.000) 15.566 10.184 ( 14.211 6.352 0.000) 15.566 10.936 ( -14.161 -9.525 0.000) 17.066 10.936 ( 14.161 -9.525 0.000) 17.066 11.446 ( -6.572 -15.251 0.000) 16.607 11.446 ( 6.572 -15.251 0.000) 16.607 11.796 ( -10.106 17.619 0.000) 20.311 11.796 ( 10.106 17.619 0.000) 20.312 12.782 ( -3.818 -23.632 0.000) 23.938 12.782 ( 3.818 -23.632 0.000) 23.938 13.644 ( -5.669 21.832 0.000) 22.556 13.644 ( 5.669 21.832 0.000) 22.556 14.305 ( -2.919 -12.939 0.000) 13.264 14.305 ( 2.919 -12.939 0.000) 13.264 18.071 ( -4.979 12.158 0.000) 13.138 18.071 ( 4.979 12.158 0.000) 13.138 18.541 ( -0.714 -11.935 0.000) 11.957 18.541 ( 0.714 -11.935 0.000) 11.957 ======================= Grid point 49 (29/160) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.143 ( 0.000 -15.294 0.000) 15.294 5.143 ( 0.000 15.294 0.000) 15.294 5.430 ( 0.000 -12.671 0.000) 12.671 5.430 ( 0.000 12.671 0.000) 12.671 5.618 ( 0.000 -8.816 0.000) 8.816 5.618 ( 0.000 8.816 0.000) 8.816 5.693 ( 0.000 -7.794 0.000) 7.794 5.693 ( 0.000 7.794 0.000) 7.794 6.844 ( 0.000 -0.656 0.000) 0.656 6.844 ( 0.000 0.656 0.000) 0.656 6.964 ( 0.000 -4.888 0.000) 4.888 6.964 ( 0.000 4.888 0.000) 4.888 9.234 ( 0.000 -16.324 0.000) 16.324 9.234 ( 0.000 16.324 0.000) 16.324 9.407 ( 0.000 -3.821 0.000) 3.821 9.407 ( 0.000 3.821 0.000) 3.821 9.639 ( 0.000 -0.627 0.000) 0.627 9.639 ( 0.000 0.627 0.000) 0.627 10.593 ( 0.000 -16.997 0.000) 16.997 10.593 ( 0.000 16.997 0.000) 16.997 10.607 ( 0.000 -21.957 0.000) 21.957 10.607 ( 0.000 21.957 0.000) 21.957 11.302 ( 0.000 -7.525 0.000) 7.525 11.302 ( 0.000 7.525 0.000) 7.525 12.008 ( 0.000 -32.281 0.000) 32.281 12.008 ( 0.000 32.281 0.000) 32.281 12.627 ( 0.000 -17.476 0.000) 17.476 12.627 ( 0.000 17.476 0.000) 17.476 13.852 ( 0.000 -16.634 0.000) 16.634 13.852 ( 0.000 16.634 0.000) 16.634 14.098 ( 0.000 -3.052 0.000) 3.052 14.098 ( 0.000 3.052 0.000) 3.052 18.200 ( 0.000 -15.295 0.000) 15.295 18.200 ( 0.000 15.295 0.000) 15.295 18.414 ( 0.000 -6.489 0.000) 6.489 18.414 ( 0.000 6.489 0.000) 6.489 ======================= Grid point 51 (30/160) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.084 ( -5.593 -13.137 0.000) 14.278 5.084 ( -5.593 13.137 0.000) 14.278 5.201 ( -14.852 -15.559 0.000) 21.510 5.201 ( -14.852 15.559 0.000) 21.510 5.621 ( 0.855 -13.794 0.000) 13.820 5.621 ( 0.855 13.794 0.000) 13.820 5.815 ( 4.897 -13.081 0.000) 13.967 5.815 ( 4.897 13.081 0.000) 13.967 6.976 ( 12.035 -7.281 0.000) 14.067 6.976 ( 12.035 7.281 0.000) 14.067 7.057 ( 8.375 -6.446 0.000) 10.568 7.057 ( 8.375 6.446 0.000) 10.568 9.210 ( -2.314 -16.141 0.000) 16.306 9.210 ( -2.314 16.141 0.000) 16.306 9.338 ( -6.824 -10.895 0.000) 12.855 9.338 ( -6.824 10.895 0.000) 12.855 9.695 ( 6.570 -4.638 0.000) 8.042 9.695 ( 6.570 4.638 0.000) 8.042 10.562 ( -4.579 -20.100 0.000) 20.615 10.562 ( -4.579 20.100 0.000) 20.615 10.683 ( 7.918 -18.306 0.000) 19.945 10.683 ( 7.918 18.306 0.000) 19.945 11.259 ( -4.148 -8.517 0.000) 9.474 11.259 ( -4.148 8.517 0.000) 9.474 12.045 ( 3.686 -31.547 0.000) 31.762 12.045 ( 3.686 31.547 0.000) 31.762 12.575 ( -4.931 -19.045 0.000) 19.673 12.575 ( -4.931 19.045 0.000) 19.673 13.876 ( 2.383 -16.770 0.000) 16.938 13.876 ( 2.383 16.770 0.000) 16.938 14.099 ( -0.169 -8.823 0.000) 8.824 14.099 ( -0.169 8.823 0.000) 8.824 18.214 ( 1.403 -14.911 0.000) 14.977 18.214 ( 1.403 14.911 0.000) 14.977 18.399 ( -1.480 -7.432 0.000) 7.578 18.399 ( -1.480 7.432 0.000) 7.578 ======================= Grid point 53 (31/160) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.955 ( -6.228 -11.746 0.000) 13.295 4.955 ( -6.228 11.746 0.000) 13.295 4.960 ( -8.418 -15.467 0.000) 17.610 4.960 ( -8.418 15.467 0.000) 17.610 5.667 ( 3.670 -18.638 0.000) 18.996 5.667 ( 3.670 18.638 0.000) 18.996 5.832 ( -2.386 -17.443 0.000) 17.606 5.832 ( -2.386 17.443 0.000) 17.606 7.232 ( 11.135 -5.515 0.000) 12.426 7.232 ( 11.135 5.515 0.000) 12.426 7.242 ( 8.802 -7.219 0.000) 11.383 7.242 ( 8.802 7.219 0.000) 11.383 9.151 ( -3.193 -14.804 0.000) 15.145 9.151 ( -3.193 14.804 0.000) 15.145 9.187 ( -6.705 -8.673 0.000) 10.963 9.187 ( -6.705 8.673 0.000) 10.963 9.896 ( 12.909 -3.477 0.000) 13.369 9.896 ( 12.909 3.477 0.000) 13.369 10.418 ( -10.073 -15.473 0.000) 18.463 10.418 ( -10.073 15.473 0.000) 18.463 10.857 ( 8.766 -19.667 0.000) 21.532 10.857 ( 8.766 19.667 0.000) 21.532 11.151 ( -6.286 -13.336 0.000) 14.743 11.151 ( -6.286 13.336 0.000) 14.743 12.149 ( 6.580 -29.322 0.000) 30.051 12.149 ( 6.580 29.322 0.000) 30.051 12.449 ( -7.399 -22.323 0.000) 23.517 12.449 ( -7.399 22.323 0.000) 23.517 13.942 ( 3.970 -16.949 0.000) 17.408 13.942 ( 3.970 16.949 0.000) 17.408 14.080 ( -1.912 -14.041 0.000) 14.171 14.080 ( -1.912 14.041 0.000) 14.171 18.253 ( 2.395 -13.748 0.000) 13.955 18.253 ( 2.395 13.748 0.000) 13.955 18.358 ( -2.467 -9.562 0.000) 9.875 18.358 ( -2.467 9.562 0.000) 9.875 ======================= Grid point 55 (32/160) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.881 ( -0.381 -13.450 0.000) 13.456 4.881 ( 0.381 -13.450 0.000) 13.456 4.881 ( -0.381 13.450 0.000) 13.456 4.881 ( 0.381 13.450 0.000) 13.456 5.755 ( -4.747 -19.430 0.000) 20.002 5.755 ( 4.747 -19.430 0.000) 20.002 5.755 ( -4.747 19.430 0.000) 20.002 5.755 ( 4.747 19.430 0.000) 20.002 7.346 ( -0.285 -3.566 0.000) 3.577 7.346 ( 0.285 -3.566 0.000) 3.577 7.346 ( -0.285 3.566 0.000) 3.577 7.346 ( 0.285 3.566 0.000) 3.577 9.114 ( -0.423 -10.833 0.000) 10.841 9.114 ( 0.423 -10.833 0.000) 10.841 9.114 ( -0.423 10.833 0.000) 10.841 9.114 ( 0.423 10.833 0.000) 10.841 10.173 ( -13.999 -9.921 0.000) 17.158 10.173 ( 13.999 -9.921 0.000) 17.158 10.173 ( -13.999 9.921 0.000) 17.158 10.173 ( 13.999 9.921 0.000) 17.158 11.017 ( -7.298 -18.355 0.000) 19.753 11.017 ( 7.298 -18.355 0.000) 19.753 11.017 ( -7.298 18.355 0.000) 19.753 11.017 ( 7.298 18.355 0.000) 19.753 12.295 ( -7.811 -25.980 0.000) 27.128 12.295 ( 7.811 -25.980 0.000) 27.128 12.295 ( -7.811 25.980 0.000) 27.128 12.295 ( 7.811 25.980 0.000) 27.128 14.022 ( -3.792 -16.421 0.000) 16.853 14.022 ( 3.792 -16.421 0.000) 16.853 14.022 ( -3.792 16.421 0.000) 16.853 14.022 ( 3.792 16.421 0.000) 16.853 18.305 ( -2.768 -11.869 0.000) 12.188 18.305 ( 2.768 -11.869 0.000) 12.188 18.305 ( -2.768 11.869 0.000) 12.188 18.305 ( 2.768 11.869 0.000) 12.188 ======================= Grid point 105 (33/160) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.000 0.000 41.397) 41.397 0.855 ( 0.000 0.000 41.875) 41.875 1.468 ( 0.000 0.000 71.192) 71.192 3.985 ( 0.000 0.000 3.649) 3.649 4.605 ( 0.000 0.000 -5.123) 5.123 4.828 ( 0.000 0.000 -2.030) 2.030 4.967 ( 0.000 0.000 -1.441) 1.441 5.396 ( 0.000 0.000 -10.004) 10.004 5.722 ( 0.000 0.000 -16.484) 16.484 6.018 ( 0.000 0.000 6.567) 6.567 6.355 ( 0.000 0.000 7.615) 7.615 6.461 ( 0.000 0.000 -7.412) 7.412 7.264 ( 0.000 0.000 -3.178) 3.178 7.578 ( 0.000 0.000 9.834) 9.834 7.914 ( 0.000 0.000 -2.916) 2.916 8.191 ( 0.000 0.000 -3.864) 3.864 9.366 ( 0.000 0.000 0.402) 0.402 9.754 ( 0.000 0.000 2.880) 2.880 9.788 ( 0.000 0.000 -8.589) 8.589 10.083 ( 0.000 0.000 0.958) 0.958 10.129 ( 0.000 0.000 0.184) 0.184 10.852 ( 0.000 0.000 -0.875) 0.875 11.395 ( 0.000 0.000 -26.940) 26.940 12.693 ( 0.000 0.000 18.347) 18.347 12.790 ( 0.000 0.000 0.797) 0.797 12.823 ( 0.000 0.000 -4.072) 4.072 12.982 ( 0.000 0.000 -0.422) 0.422 13.103 ( 0.000 0.000 -3.030) 3.030 13.694 ( 0.000 0.000 -17.306) 17.306 15.594 ( 0.000 0.000 17.803) 17.803 15.671 ( 0.000 0.000 -8.634) 8.634 15.850 ( 0.000 0.000 0.630) 0.630 15.964 ( 0.000 0.000 5.519) 5.519 17.223 ( 0.000 0.000 -2.127) 2.127 18.933 ( 0.000 0.000 -0.196) 0.196 18.943 ( 0.000 0.000 -0.255) 0.255 ======================= Grid point 106 (34/160) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 25.041 0.000 27.578) 37.251 1.178 ( 27.830 0.000 29.929) 40.869 2.112 ( 51.154 0.000 51.687) 72.721 3.719 ( -23.274 0.000 5.178) 23.843 4.064 ( -35.557 0.000 -4.585) 35.852 5.118 ( 11.879 0.000 -3.222) 12.308 5.266 ( 24.730 0.000 -4.728) 25.178 5.470 ( 6.694 0.000 -9.111) 11.306 5.714 ( -1.166 0.000 -15.150) 15.195 5.884 ( -13.771 0.000 10.422) 17.270 6.409 ( 5.597 0.000 6.644) 8.687 6.439 ( -3.010 0.000 -5.539) 6.304 7.075 ( -35.124 0.000 9.220) 36.314 7.206 ( -5.711 0.000 -2.588) 6.270 8.008 ( 9.075 0.000 -2.828) 9.506 8.467 ( 19.486 0.000 -9.041) 21.482 9.295 ( -5.523 0.000 1.331) 5.681 9.782 ( 2.739 0.000 2.631) 3.798 9.872 ( 3.260 0.000 -8.609) 9.205 10.039 ( -1.112 0.000 3.285) 3.468 10.106 ( -2.270 0.000 0.325) 2.293 10.810 ( -25.586 0.000 2.012) 25.665 11.322 ( 18.145 0.000 -15.651) 23.962 12.234 ( -1.056 0.000 20.173) 20.201 12.804 ( 1.363 0.000 0.697) 1.531 12.956 ( -2.783 0.000 12.825) 13.123 12.970 ( -1.173 0.000 -0.356) 1.226 13.350 ( -6.220 0.000 -31.168) 31.783 14.019 ( 26.141 0.000 -23.084) 34.874 15.313 ( -15.168 0.000 7.057) 16.730 15.796 ( 2.680 0.000 -0.492) 2.724 15.877 ( 0.531 0.000 -2.430) 2.487 16.091 ( 11.102 0.000 6.833) 13.036 16.890 ( -19.183 0.000 17.048) 25.664 18.933 ( 0.049 0.000 -0.198) 0.204 18.942 ( -0.087 0.000 -0.249) 0.264 ======================= Grid point 107 (35/160) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 37.424 0.000 9.004) 38.492 1.816 ( 34.505 0.000 18.450) 39.128 3.124 ( 16.337 0.000 19.698) 25.591 3.164 ( -31.320 0.000 8.121) 32.356 3.417 ( 2.906 0.000 14.021) 14.319 5.324 ( -35.041 0.000 17.462) 39.151 5.351 ( 10.745 0.000 -6.222) 12.416 5.660 ( -4.506 0.000 -12.020) 12.837 5.694 ( 17.364 0.000 -6.823) 18.656 5.718 ( 9.123 0.000 -5.235) 10.518 6.332 ( -7.462 0.000 -1.594) 7.631 6.471 ( -23.060 0.000 5.358) 23.674 6.576 ( 10.903 0.000 4.071) 11.638 7.045 ( -10.224 0.000 -0.990) 10.272 8.251 ( 14.720 0.000 -6.102) 15.934 8.730 ( 1.113 0.000 -19.294) 19.326 9.288 ( 10.275 0.000 1.820) 10.435 9.856 ( 4.495 0.000 2.025) 4.930 9.911 ( 2.067 0.000 -1.063) 2.324 10.015 ( -3.395 0.000 2.728) 4.355 10.042 ( -4.040 0.000 0.727) 4.105 10.228 ( -27.463 0.000 -0.267) 27.464 11.852 ( 29.443 0.000 -14.766) 32.938 12.362 ( 8.799 0.000 5.362) 10.304 12.841 ( 2.284 0.000 0.440) 2.326 12.865 ( -5.954 0.000 14.938) 16.080 12.937 ( -2.094 0.000 -0.165) 2.101 13.067 ( -18.895 0.000 -17.444) 25.716 14.431 ( 16.756 0.000 -17.886) 24.509 15.023 ( -14.392 0.000 -1.005) 14.427 15.833 ( 1.414 0.000 -0.657) 1.559 15.872 ( -0.630 0.000 -1.985) 2.083 16.299 ( 9.238 0.000 7.923) 12.170 16.619 ( -9.434 0.000 15.125) 17.826 18.935 ( 0.100 0.000 -0.205) 0.228 18.940 ( -0.138 0.000 -0.234) 0.272 ======================= Grid point 108 (36/160) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -39.605 0.000 0.719) 39.611 2.481 ( 39.605 0.000 0.719) 39.611 2.506 ( -34.469 0.000 12.132) 36.542 2.506 ( 34.469 0.000 12.132) 36.542 4.403 ( -53.719 0.000 28.247) 60.693 4.403 ( 53.719 0.000 28.247) 60.693 5.536 ( -7.873 0.000 -9.014) 11.968 5.536 ( 7.873 0.000 -9.014) 11.968 5.892 ( -2.166 0.000 -11.354) 11.559 5.892 ( 2.166 0.000 -11.354) 11.559 6.210 ( -0.987 0.000 5.776) 5.860 6.210 ( 0.987 0.000 5.776) 5.860 6.815 ( -12.419 0.000 1.303) 12.487 6.815 ( 12.419 0.000 1.303) 12.487 8.554 ( -14.417 0.000 -11.396) 18.377 8.554 ( 14.417 0.000 -11.396) 18.377 9.667 ( -23.882 0.000 -7.682) 25.087 9.667 ( 23.882 0.000 -7.682) 25.087 9.952 ( -4.889 0.000 1.327) 5.066 9.952 ( 4.889 0.000 1.327) 5.066 9.978 ( -3.940 0.000 6.033) 7.206 9.978 ( 3.940 0.000 6.033) 7.206 12.364 ( -16.482 0.000 -16.392) 23.246 12.364 ( 16.482 0.000 -16.392) 23.246 12.780 ( -2.812 0.000 10.927) 11.283 12.780 ( 2.812 0.000 10.927) 11.283 12.890 ( -2.523 0.000 0.121) 2.526 12.890 ( 2.523 0.000 0.121) 2.526 14.736 ( -14.609 0.000 -9.452) 17.400 14.736 ( 14.609 0.000 -9.452) 17.400 15.856 ( -0.982 0.000 -1.345) 1.666 15.856 ( 0.982 0.000 -1.345) 1.666 16.461 ( -7.463 0.000 10.733) 13.073 16.461 ( 7.463 0.000 10.733) 13.073 18.937 ( -0.137 0.000 -0.218) 0.258 18.937 ( 0.137 0.000 -0.218) 0.258 ======================= Grid point 112 (37/160) ======================= q-point: ( 0.00 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 27.202 29.413) 40.064 1.279 ( 0.000 29.876 32.847) 44.402 2.034 ( 0.000 52.284 46.985) 70.294 4.135 ( 0.000 13.594 3.242) 13.975 4.621 ( 0.000 2.008 -4.208) 4.663 4.805 ( 0.000 -0.463 -4.678) 4.701 5.064 ( 0.000 4.670 2.592) 5.341 5.438 ( 0.000 6.271 -8.534) 10.590 5.839 ( 0.000 11.110 -15.303) 18.910 6.074 ( 0.000 5.982 5.359) 8.032 6.316 ( 0.000 -0.452 3.533) 3.561 6.673 ( 0.000 17.528 -3.711) 17.916 7.576 ( 0.000 -0.203 9.312) 9.314 7.715 ( 0.000 30.230 -20.098) 36.302 8.055 ( 0.000 14.703 -2.763) 14.961 8.135 ( 0.000 -2.966 -6.045) 6.733 9.360 ( 0.000 -0.384 0.418) 0.568 9.690 ( 0.000 -4.416 -5.483) 7.040 9.984 ( 0.000 17.069 -1.546) 17.139 10.057 ( 0.000 -2.183 0.894) 2.359 10.259 ( 0.000 9.892 -1.196) 9.964 10.806 ( 0.000 -4.559 0.334) 4.571 10.929 ( 0.000 -30.134 19.983) 36.157 11.803 ( 0.000 -16.440 15.936) 22.896 12.347 ( 0.000 -25.874 -1.856) 25.940 13.018 ( 0.000 -0.336 1.909) 1.938 13.050 ( 0.000 -2.963 -0.191) 2.969 13.784 ( 0.000 7.552 -22.704) 23.927 13.886 ( 0.000 20.225 -24.950) 32.118 15.532 ( 0.000 -8.195 22.662) 24.098 15.717 ( 0.000 -10.687 -4.824) 11.726 15.851 ( 0.000 -2.709 1.050) 2.905 16.006 ( 0.000 6.509 0.201) 6.512 17.025 ( 0.000 -2.462 -7.321) 7.724 18.943 ( 0.000 0.842 0.507) 0.982 19.026 ( 0.000 5.271 1.221) 5.410 ======================= Grid point 113 (38/160) ======================= q-point: ( 0.17 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 19.748 25.179 22.539) 39.140 1.552 ( 23.219 27.752 25.712) 44.389 2.496 ( 40.906 38.625 39.876) 68.959 3.867 ( -23.571 13.063 4.173) 27.270 4.119 ( -32.559 5.937 -2.432) 33.185 5.097 ( 13.051 -0.995 -3.620) 13.581 5.286 ( 17.077 -0.362 -2.451) 17.256 5.506 ( 6.380 5.290 -8.023) 11.535 5.849 ( 1.025 12.170 -12.184) 17.251 5.948 ( -12.009 6.962 6.355) 15.266 6.353 ( 1.863 0.428 2.529) 3.170 6.689 ( 2.225 19.098 -1.699) 19.302 7.065 ( -33.692 0.339 8.815) 34.828 7.594 ( -13.453 30.395 -11.440) 35.153 8.146 ( 8.153 14.025 -2.977) 16.493 8.417 ( 20.821 -4.192 -8.331) 22.814 9.290 ( -5.939 -0.397 0.386) 5.965 9.757 ( 4.011 -3.879 -4.984) 7.482 9.942 ( -4.243 4.176 1.431) 6.123 10.073 ( 2.599 7.330 0.982) 7.839 10.244 ( -1.842 10.541 -1.529) 10.809 10.677 ( -19.101 -9.386 6.455) 22.240 11.144 ( 25.995 -12.321 -1.948) 28.833 11.913 ( 9.897 -16.318 10.063) 21.575 12.390 ( 2.691 -27.298 3.480) 27.650 12.993 ( -3.232 -4.658 -0.286) 5.677 13.004 ( -2.212 2.481 2.651) 4.251 13.571 ( -13.722 10.472 -19.743) 26.224 14.156 ( 16.213 6.754 -22.850) 28.820 15.311 ( -14.437 -5.683 7.819) 17.374 15.850 ( 4.360 -4.992 6.392) 9.208 15.936 ( 8.890 -2.565 -1.393) 9.357 16.007 ( 0.685 1.338 1.882) 2.409 16.794 ( -16.490 1.763 3.344) 16.917 18.955 ( 0.873 1.663 0.050) 1.879 19.013 ( -0.888 5.307 1.067) 5.486 ======================= Grid point 114 (39/160) ======================= q-point: ( 0.33 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 32.536 17.092 10.474) 38.216 2.108 ( 31.262 23.324 17.901) 42.916 3.249 ( -21.350 12.512 4.943) 25.235 3.386 ( -13.899 19.537 12.802) 27.180 3.561 ( 20.620 16.226 19.618) 32.761 5.224 ( -9.897 -3.597 5.838) 12.041 5.500 ( -2.208 4.155 -3.810) 6.055 5.598 ( -0.583 4.491 -6.316) 7.772 5.718 ( 4.894 2.412 -2.649) 6.065 5.931 ( 7.269 15.279 -5.422) 17.768 6.306 ( -8.259 -0.919 0.318) 8.316 6.468 ( -20.895 2.568 5.731) 21.819 6.819 ( 9.847 20.203 0.725) 22.487 7.325 ( -13.384 24.758 -3.444) 28.354 8.362 ( 12.988 11.395 -5.886) 18.253 8.734 ( 5.742 0.488 -18.539) 19.414 9.232 ( 5.086 -4.174 2.308) 6.973 9.773 ( -5.413 -6.339 -2.298) 8.646 9.896 ( 0.908 -2.028 3.620) 4.248 10.068 ( -4.649 0.636 7.220) 8.611 10.193 ( -2.133 13.708 -4.294) 14.523 10.326 ( -12.131 13.455 -3.115) 18.382 11.693 ( 26.610 -15.291 -5.861) 31.245 12.121 ( 8.233 -17.383 -1.758) 19.315 12.434 ( 3.276 -22.637 10.382) 25.119 12.887 ( -8.224 -4.974 -4.399) 10.570 12.988 ( 0.639 2.681 3.528) 4.477 13.265 ( -15.620 8.941 -7.673) 19.566 14.459 ( 14.421 0.559 -17.193) 22.447 15.023 ( -14.437 -3.662 -1.693) 14.991 15.916 ( 2.760 1.688 2.369) 4.010 15.984 ( -0.722 9.257 -0.896) 9.328 16.149 ( 9.443 -12.445 6.364) 16.869 16.517 ( -11.146 -1.845 7.787) 13.721 18.971 ( 0.740 2.968 -0.004) 3.059 18.997 ( -0.698 4.773 0.589) 4.859 ======================= Grid point 115 (40/160) ======================= q-point: (-0.50 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -31.015 10.462 4.471) 33.036 2.549 ( 31.015 10.462 4.471) 33.036 2.777 ( -28.202 20.983 10.655) 36.731 2.777 ( 28.202 20.983 10.655) 36.731 4.520 ( -48.648 12.029 23.424) 55.318 4.520 ( 48.648 12.029 23.424) 55.318 5.553 ( -4.686 2.553 -8.717) 10.220 5.553 ( 4.686 2.553 -8.717) 10.220 5.941 ( -11.518 2.727 -7.622) 14.078 5.941 ( 11.518 2.727 -7.622) 14.078 6.219 ( -7.662 3.968 4.286) 9.634 6.219 ( 7.662 3.968 4.286) 9.634 7.059 ( -13.273 21.936 -0.278) 25.640 7.059 ( 13.273 21.936 -0.278) 25.640 8.624 ( -12.084 7.356 -11.281) 18.094 8.624 ( 12.084 7.356 -11.281) 18.094 9.510 ( -17.866 -10.235 -3.643) 20.909 9.510 ( 17.866 -10.235 -3.643) 20.909 9.957 ( -4.455 -1.620 4.955) 6.858 9.957 ( 4.455 -1.620 4.955) 6.858 10.201 ( -2.752 18.992 -2.551) 19.359 10.201 ( 2.752 18.992 -2.551) 19.359 12.096 ( -11.778 -22.666 -4.389) 25.918 12.096 ( 11.778 -22.666 -4.389) 25.918 12.630 ( -15.547 -7.094 -1.020) 17.120 12.630 ( 15.547 -7.094 -1.020) 17.120 13.045 ( -5.908 5.332 3.014) 8.510 13.045 ( 5.908 5.332 3.014) 8.510 14.740 ( -14.083 -1.939 -9.965) 17.361 14.740 ( 14.083 -1.939 -9.965) 17.361 15.960 ( -1.684 6.007 0.413) 6.252 15.960 ( 1.684 6.007 0.413) 6.252 16.327 ( -8.752 -7.837 7.432) 13.901 16.327 ( 8.752 -7.837 7.432) 13.901 18.984 ( -0.644 3.991 0.222) 4.049 18.984 ( 0.644 3.991 0.222) 4.049 ======================= Grid point 119 (41/160) ======================= q-point: ( 0.00 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 0.000 36.855 16.986) 40.581 1.924 ( 0.000 35.631 23.870) 42.888 3.201 ( 0.000 60.955 25.142) 65.937 4.444 ( 0.000 16.381 1.727) 16.471 4.698 ( 0.000 6.020 -2.677) 6.588 4.841 ( 0.000 4.324 -5.251) 6.802 5.111 ( 0.000 1.278 0.939) 1.586 5.639 ( 0.000 13.003 -0.652) 13.019 6.079 ( 0.000 9.724 -9.474) 13.577 6.246 ( 0.000 10.823 2.259) 11.057 6.362 ( 0.000 6.303 1.095) 6.397 7.090 ( 0.000 21.581 -2.431) 21.717 7.602 ( 0.000 5.781 7.674) 9.607 7.999 ( 0.000 1.243 -1.275) 1.781 8.361 ( 0.000 23.737 -20.718) 31.506 8.499 ( 0.000 29.941 -3.484) 30.143 9.365 ( 0.000 1.439 -0.096) 1.442 9.577 ( 0.000 -6.927 -6.930) 9.798 9.985 ( 0.000 -4.059 0.786) 4.134 10.263 ( 0.000 -7.133 5.126) 8.784 10.458 ( 0.000 29.107 -4.235) 29.413 10.673 ( 0.000 -8.282 0.848) 8.325 10.878 ( 0.000 19.035 15.020) 24.248 11.587 ( 0.000 -9.828 -0.858) 9.865 11.837 ( 0.000 -24.857 1.785) 24.921 12.847 ( 0.000 -12.696 -0.587) 12.710 12.979 ( 0.000 -6.997 6.447) 9.514 13.902 ( 0.000 2.838 -25.963) 26.117 14.033 ( 0.000 -0.228 -16.062) 16.064 15.246 ( 0.000 -19.828 21.842) 29.500 15.363 ( 0.000 -27.870 -6.410) 28.598 15.501 ( 0.000 -21.421 15.036) 26.171 16.262 ( 0.000 18.693 -1.501) 18.753 17.250 ( 0.000 18.024 -16.045) 24.131 18.953 ( 0.000 -0.131 1.900) 1.905 19.105 ( 0.000 2.385 2.405) 3.387 ======================= Grid point 120 (42/160) ======================= q-point: ( 0.17 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 14.281 35.503 15.135) 41.152 2.117 ( 18.145 30.355 22.007) 41.653 3.471 ( 25.570 54.859 22.685) 64.637 4.148 ( -25.996 14.452 -0.010) 29.743 4.309 ( -23.716 13.079 3.194) 27.271 5.105 ( 10.568 1.876 -2.095) 10.936 5.263 ( 12.374 -0.984 -3.652) 12.940 5.666 ( 2.827 10.421 -4.280) 11.615 6.081 ( -1.788 9.749 -1.561) 10.034 6.180 ( -3.239 14.835 -4.295) 15.781 6.412 ( 2.440 5.305 2.627) 6.403 7.049 ( -16.034 5.922 4.320) 17.631 7.226 ( -10.679 27.135 2.635) 29.279 8.174 ( -13.898 23.320 -13.528) 30.331 8.360 ( 21.349 2.506 -5.595) 22.212 8.563 ( 5.863 27.993 -3.871) 28.861 9.285 ( -6.333 -0.042 -2.716) 6.891 9.660 ( 5.685 -4.759 -5.055) 8.973 9.937 ( -5.300 -2.340 1.955) 6.114 10.199 ( -8.395 -3.915 6.070) 11.075 10.446 ( 3.983 15.808 -6.706) 17.627 10.764 ( -1.275 13.558 -1.624) 13.715 10.997 ( 16.705 2.253 8.879) 19.051 11.655 ( 6.549 -12.104 -1.702) 13.867 11.883 ( 4.714 -22.880 7.124) 24.423 12.828 ( -2.008 -11.340 -1.773) 11.652 12.959 ( -1.541 -6.548 6.681) 9.481 13.696 ( -15.106 2.489 -18.213) 23.792 14.187 ( 9.832 -3.362 -18.268) 21.016 15.044 ( -12.222 -20.817 6.783) 25.075 15.538 ( 7.851 -28.185 7.306) 30.156 15.566 ( 7.170 -19.272 10.783) 23.218 16.282 ( 2.201 19.926 -1.650) 20.115 17.091 ( -13.775 21.297 -11.655) 27.913 18.978 ( 2.069 0.294 1.249) 2.434 19.097 ( -0.700 2.607 2.084) 3.411 ======================= Grid point 121 (43/160) ======================= q-point: ( 0.33 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 24.519 29.075 10.079) 39.346 2.581 ( 26.918 23.958 18.562) 40.535 3.552 ( -30.990 17.823 0.426) 35.752 3.788 ( -28.065 19.622 10.040) 35.686 4.134 ( 37.306 39.160 18.006) 57.004 5.191 ( -3.652 0.061 3.251) 4.889 5.497 ( 10.081 -0.611 -7.362) 12.498 5.747 ( 4.618 8.376 -10.028) 13.858 5.930 ( -10.263 16.512 1.691) 19.515 6.225 ( 5.983 12.037 -1.082) 13.486 6.342 ( -14.532 6.519 2.318) 16.095 6.561 ( -16.403 6.445 7.194) 19.036 7.321 ( 10.832 29.796 -1.614) 31.745 7.874 ( -15.157 28.140 -6.452) 32.607 8.689 ( 9.179 16.791 -7.188) 20.442 8.773 ( 14.872 8.599 -11.462) 20.652 9.173 ( -2.520 -1.370 -1.672) 3.320 9.667 ( -11.155 -2.620 -3.219) 11.902 9.835 ( 1.240 -3.864 4.065) 5.744 10.033 ( -6.838 -2.051 4.765) 8.583 10.534 ( 3.932 17.427 -8.876) 19.949 10.689 ( -4.499 19.973 -5.298) 21.148 11.374 ( 17.742 -12.914 7.749) 23.272 11.743 ( -0.333 -19.782 0.332) 19.788 12.092 ( 17.593 -12.109 5.828) 22.138 12.747 ( -7.312 -8.955 -4.950) 12.576 12.952 ( 1.809 -5.824 6.493) 8.908 13.354 ( -18.094 0.649 -7.919) 19.762 14.386 ( 10.136 -8.616 -14.588) 19.742 14.809 ( -11.378 -17.802 -1.592) 21.188 15.657 ( 5.207 -23.712 8.716) 25.795 15.705 ( 4.469 -23.463 6.738) 24.817 16.364 ( 6.450 22.161 -2.144) 23.180 16.796 ( -14.468 23.536 -6.126) 28.298 19.020 ( 1.974 1.366 0.838) 2.543 19.079 ( -1.071 2.716 1.479) 3.272 ======================= Grid point 122 (44/160) ======================= q-point: (-0.50 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -23.214 20.417 6.329) 31.556 2.863 ( 23.214 20.417 6.329) 31.556 3.229 ( -23.104 23.444 12.673) 35.271 3.229 ( 23.104 23.444 12.673) 35.271 4.851 ( -30.560 19.302 12.206) 38.151 4.851 ( 30.560 19.302 12.206) 38.151 5.665 ( -8.280 9.396 -7.964) 14.841 5.665 ( 8.280 9.396 -7.964) 14.841 5.991 ( -14.091 4.327 -0.742) 14.760 5.991 ( 14.091 4.327 -0.742) 14.760 6.375 ( -7.857 9.813 2.841) 12.888 6.375 ( 7.857 9.813 2.841) 12.888 7.580 ( -14.373 28.978 -2.932) 32.480 7.580 ( 14.373 28.978 -2.932) 32.480 8.846 ( -5.773 14.328 -10.815) 18.857 8.846 ( 5.773 14.328 -10.815) 18.857 9.344 ( -17.195 -5.230 -2.007) 18.085 9.344 ( 17.195 -5.230 -2.007) 18.085 9.918 ( -5.170 -1.907 3.861) 6.728 9.918 ( 5.170 -1.907 3.861) 6.728 10.607 ( -3.713 20.014 -7.295) 21.623 10.607 ( 3.713 20.014 -7.295) 21.623 11.644 ( -9.312 -20.265 6.743) 23.299 11.644 ( 9.312 -20.265 6.743) 23.299 12.488 ( -18.808 -7.443 -3.940) 20.608 12.488 ( 18.808 -7.443 -3.940) 20.608 13.060 ( -9.890 -3.204 2.233) 10.633 13.060 ( 9.890 -3.204 2.233) 10.633 14.591 ( -10.586 -13.492 -8.840) 19.294 14.591 ( 10.586 -13.492 -8.840) 19.294 15.730 ( -1.636 -23.196 6.954) 24.271 15.730 ( 1.636 -23.196 6.954) 24.271 16.540 ( -11.090 23.120 -3.334) 25.858 16.540 ( 11.090 23.120 -3.334) 25.858 19.054 ( -1.473 2.293 1.010) 2.907 19.054 ( 1.473 2.293 1.010) 2.907 ======================= Grid point 126 (45/160) ======================= q-point: ( 0.00 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 0.000 40.619 9.835) 41.793 2.664 ( 0.000 38.842 14.885) 41.597 4.311 ( 0.000 49.212 13.141) 50.936 4.759 ( 0.000 15.425 0.147) 15.426 4.862 ( 0.000 10.522 -1.663) 10.653 4.975 ( 0.000 9.209 -2.467) 9.534 5.148 ( 0.000 3.002 0.420) 3.031 5.937 ( 0.000 17.363 1.710) 17.447 6.149 ( 0.000 -0.974 -1.974) 2.201 6.475 ( 0.000 12.090 2.869) 12.426 6.568 ( 0.000 12.113 -2.334) 12.336 7.300 ( 0.000 0.543 3.445) 3.487 7.990 ( 0.000 31.577 3.545) 31.775 8.058 ( 0.000 5.510 -4.253) 6.961 8.778 ( 0.000 16.810 -7.251) 18.307 9.174 ( 0.000 33.542 -7.445) 34.358 9.440 ( 0.000 -4.362 -5.200) 6.788 9.459 ( 0.000 9.466 -2.724) 9.850 9.915 ( 0.000 -1.881 1.654) 2.505 10.177 ( 0.000 -1.087 1.733) 2.046 10.500 ( 0.000 -8.396 0.688) 8.424 10.996 ( 0.000 14.776 -13.499) 20.014 11.270 ( 0.000 3.567 2.968) 4.641 11.439 ( 0.000 8.560 2.807) 9.009 11.474 ( 0.000 -2.127 7.214) 7.521 12.539 ( 0.000 -18.418 1.145) 18.453 12.799 ( 0.000 -10.464 7.953) 13.143 13.879 ( 0.000 -5.007 -23.257) 23.790 13.943 ( 0.000 -9.203 -9.224) 13.030 14.726 ( 0.000 -32.005 -7.073) 32.777 14.797 ( 0.000 -24.498 17.204) 29.935 15.122 ( 0.000 -18.340 11.699) 21.753 16.689 ( 0.000 23.358 -1.640) 23.416 17.595 ( 0.000 16.098 -12.025) 20.093 18.926 ( 0.000 -2.772 2.847) 3.974 19.105 ( 0.000 -2.587 1.952) 3.241 ======================= Grid point 127 (46/160) ======================= q-point: ( 0.17 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 10.532 37.567 10.353) 40.366 2.769 ( 10.508 35.901 14.620) 40.163 4.422 ( -12.515 22.056 2.837) 25.517 4.527 ( 5.177 40.705 8.402) 41.884 4.596 ( -17.101 15.699 4.238) 23.598 5.165 ( 5.284 4.095 1.275) 6.805 5.273 ( 11.729 2.536 -4.466) 12.804 5.915 ( 0.252 14.405 -5.114) 15.288 6.217 ( 3.750 4.373 1.612) 5.982 6.442 ( -2.955 11.564 -0.601) 11.951 6.571 ( 0.281 10.268 1.424) 10.370 7.137 ( -16.294 4.655 6.368) 18.103 7.854 ( -1.403 31.462 -0.396) 31.496 8.319 ( 12.631 6.032 -7.282) 15.778 8.705 ( -4.418 18.839 -2.371) 19.495 9.185 ( 0.954 25.347 -7.599) 26.479 9.311 ( -5.525 10.259 -5.000) 12.680 9.619 ( 8.507 1.264 -1.444) 8.721 9.904 ( -3.107 0.998 -0.302) 3.277 10.143 ( -4.888 0.314 0.867) 4.974 10.502 ( 3.727 -8.537 -0.264) 9.318 10.997 ( -1.584 4.555 -13.905) 14.718 11.283 ( 1.905 7.323 4.527) 8.818 11.466 ( 2.949 4.262 2.371) 5.699 11.608 ( 12.600 2.184 8.968) 15.619 12.556 ( 1.449 -15.985 -0.579) 16.061 12.780 ( -1.615 -10.778 8.377) 13.746 13.688 ( -15.040 -2.726 -16.028) 22.147 14.027 ( 4.534 -13.343 -11.292) 18.059 14.529 ( -10.176 -29.413 2.223) 31.203 14.990 ( 9.911 -25.747 4.792) 28.001 15.176 ( 4.632 -19.460 9.590) 22.184 16.724 ( 3.552 23.690 -1.921) 24.032 17.489 ( -9.778 18.242 -10.281) 23.110 18.955 ( 2.487 -2.817 2.333) 4.423 19.101 ( -0.479 -2.480 1.828) 3.118 ======================= Grid point 128 (47/160) ======================= q-point: ( 0.33 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 17.762 32.843 9.527) 38.534 3.073 ( 19.410 27.021 14.193) 36.171 3.952 ( -24.486 22.644 2.218) 33.425 4.159 ( -25.009 18.117 10.143) 32.505 4.897 ( 19.154 32.417 6.297) 38.176 5.218 ( 0.275 2.435 1.821) 3.053 5.541 ( 16.570 7.582 -4.769) 18.836 5.963 ( 3.619 13.008 -9.843) 16.709 6.214 ( -4.280 11.157 -0.206) 11.951 6.399 ( -2.841 8.804 1.331) 9.346 6.551 ( -3.269 10.512 2.817) 11.364 6.743 ( -18.271 13.100 9.913) 24.570 7.936 ( 8.307 30.688 -2.604) 31.899 8.351 ( -8.351 19.267 -8.970) 22.834 8.801 ( 12.969 5.263 -1.418) 14.068 9.166 ( -4.209 0.537 -7.593) 8.699 9.278 ( 3.795 30.683 -4.707) 31.273 9.728 ( -12.454 2.856 0.703) 12.797 9.780 ( 6.010 5.971 -1.930) 8.689 10.022 ( -5.810 1.687 0.366) 6.061 10.652 ( 9.054 -8.164 -4.983) 13.170 10.927 ( -4.849 -0.502 -12.107) 13.052 11.349 ( 4.330 4.743 7.514) 9.885 11.491 ( -0.882 1.083 8.206) 8.324 11.967 ( 21.772 2.678 3.742) 22.253 12.558 ( -3.198 -9.066 -2.807) 10.015 12.773 ( 2.767 -12.225 7.708) 14.715 13.319 ( -20.902 -3.414 -7.749) 22.552 14.119 ( 4.966 -18.309 -8.582) 20.821 14.357 ( -7.378 -26.576 -1.848) 27.643 15.158 ( 6.989 -24.342 3.234) 25.531 15.258 ( 2.600 -21.513 5.538) 22.366 16.833 ( 7.477 24.105 -2.902) 25.404 17.256 ( -12.592 21.655 -7.206) 26.066 19.009 ( 2.686 -2.652 1.721) 4.149 19.085 ( -1.108 -2.335 1.604) 3.042 ======================= Grid point 129 (48/160) ======================= q-point: (-0.50 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( -10.568 24.362 8.769) 27.966 3.314 ( 10.568 24.362 8.769) 27.966 3.698 ( -13.709 24.724 10.344) 30.104 3.698 ( 13.709 24.724 10.344) 30.104 5.160 ( -7.055 10.073 1.898) 12.444 5.160 ( 7.055 10.073 1.898) 12.444 5.926 ( -15.935 15.656 -8.183) 23.791 5.926 ( 15.935 15.656 -8.183) 23.791 6.171 ( -7.372 14.568 2.967) 16.594 6.171 ( 7.372 14.568 2.967) 16.594 6.563 ( -4.434 9.341 6.197) 12.055 6.563 ( 4.434 9.341 6.197) 12.055 8.141 ( -11.378 26.788 -4.901) 29.514 8.141 ( 11.378 26.788 -4.901) 29.514 9.039 ( -9.086 2.169 -6.000) 11.102 9.039 ( 9.086 2.169 -6.000) 11.102 9.445 ( -12.791 17.122 -3.312) 21.627 9.445 ( 12.791 17.122 -3.312) 21.627 9.908 ( -5.983 2.381 0.746) 6.483 9.908 ( 5.983 2.381 0.746) 6.483 10.812 ( -6.855 -3.890 -9.404) 12.270 10.812 ( 6.855 -3.890 -9.404) 12.270 11.437 ( -4.108 1.456 9.869) 10.789 11.437 ( 4.108 1.456 9.869) 10.789 12.371 ( -16.087 -2.481 -0.002) 16.278 12.371 ( 16.087 -2.481 -0.002) 16.278 12.941 ( -14.677 -8.298 0.637) 16.872 12.941 ( 14.677 -8.298 0.637) 16.872 14.227 ( -5.920 -22.615 -5.705) 24.063 14.227 ( 5.920 -22.615 -5.705) 24.063 15.258 ( -2.693 -23.069 3.391) 23.472 15.258 ( 2.693 -23.069 3.391) 23.472 17.018 ( -10.941 23.617 -4.680) 26.445 17.018 ( 10.941 23.617 -4.680) 26.445 19.055 ( -1.932 -2.395 1.518) 3.431 19.055 ( 1.932 -2.395 1.518) 3.431 ======================= Grid point 133 (49/160) ======================= q-point: ( 0.00 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( 0.000 41.454 5.070) 41.762 3.429 ( 0.000 38.205 8.448) 39.128 5.029 ( 0.000 21.464 -0.464) 21.469 5.041 ( 0.000 12.961 -1.062) 13.005 5.103 ( 0.000 13.442 -0.582) 13.455 5.178 ( 0.000 7.744 -2.357) 8.095 5.299 ( 0.000 17.428 9.851) 20.019 6.092 ( 0.000 -4.399 0.344) 4.412 6.300 ( 0.000 17.561 -2.552) 17.746 6.732 ( 0.000 14.602 9.259) 17.291 6.775 ( 0.000 8.308 -1.379) 8.422 7.253 ( 0.000 -3.808 4.058) 5.565 8.203 ( 0.000 8.656 -10.002) 13.227 8.670 ( 0.000 35.651 4.982) 35.997 9.022 ( 0.000 9.998 6.911) 12.154 9.262 ( 0.000 -5.573 -6.160) 8.307 9.660 ( 0.000 2.222 -8.712) 8.991 9.710 ( 0.000 11.919 -4.377) 12.697 10.082 ( 0.000 16.680 9.204) 19.051 10.211 ( 0.000 4.077 -2.126) 4.598 10.417 ( 0.000 3.579 -0.836) 3.676 10.944 ( 0.000 0.811 -10.819) 10.849 11.032 ( 0.000 -16.405 -5.597) 17.334 11.829 ( 0.000 17.857 9.994) 20.463 11.836 ( 0.000 19.289 -12.174) 22.809 12.134 ( 0.000 -22.132 3.420) 22.394 12.635 ( 0.000 -2.209 13.985) 14.159 13.618 ( 0.000 -23.609 -1.887) 23.684 13.698 ( 0.000 -14.200 -15.591) 21.089 14.240 ( 0.000 -15.759 -13.405) 20.689 14.347 ( 0.000 -18.900 10.646) 21.692 14.781 ( 0.000 -15.916 9.617) 18.595 17.143 ( 0.000 21.994 -1.881) 22.075 17.874 ( 0.000 12.257 -8.518) 14.927 18.842 ( 0.000 -5.761 2.789) 6.400 18.998 ( 0.000 -8.264 1.404) 8.382 ======================= Grid point 134 (50/160) ======================= q-point: ( 0.17 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 3.764 36.166 5.925) 36.840 3.509 ( 6.874 38.116 9.153) 39.798 4.787 ( -17.187 18.879 1.732) 25.590 4.883 ( -15.004 14.025 3.707) 20.870 5.148 ( 3.528 11.203 -4.320) 12.515 5.294 ( 1.135 8.573 3.128) 9.196 5.431 ( 17.583 18.756 2.524) 25.833 6.110 ( 2.589 1.588 -4.656) 5.559 6.373 ( 5.305 13.887 0.116) 14.867 6.660 ( -5.122 10.309 3.494) 12.029 6.781 ( -0.676 11.802 4.861) 12.782 7.216 ( -4.697 2.824 4.619) 7.168 8.252 ( 5.154 10.285 -9.363) 14.832 8.703 ( 2.688 31.011 1.981) 31.191 8.950 ( -4.546 6.671 3.160) 8.669 9.294 ( 0.030 4.303 -5.087) 6.663 9.605 ( 0.171 -1.957 -2.811) 3.429 9.839 ( 5.111 17.333 -4.412) 18.601 10.034 ( -1.608 7.254 2.826) 7.949 10.272 ( 4.693 9.158 0.770) 10.319 10.346 ( -6.104 2.278 -1.752) 6.746 10.910 ( -3.419 0.136 -8.708) 9.356 11.073 ( 4.797 -15.915 -4.484) 17.217 11.770 ( -5.124 9.628 4.297) 11.722 11.952 ( 10.502 18.677 -8.391) 23.011 12.223 ( 8.090 -16.351 5.426) 19.033 12.611 ( -2.358 -1.420 13.687) 13.961 13.595 ( -9.137 -8.182 -12.468) 17.489 13.643 ( 0.018 -23.956 -3.980) 24.285 13.997 ( -12.243 -21.866 -0.009) 25.060 14.558 ( 10.677 -17.614 -1.619) 20.660 14.819 ( 3.253 -16.423 7.246) 18.243 17.178 ( 3.526 21.780 -2.165) 22.169 17.802 ( -6.805 13.650 -7.688) 17.080 18.866 ( 2.188 -6.099 2.424) 6.918 18.996 ( -0.278 -8.129 1.376) 8.250 ======================= Grid point 135 (51/160) ======================= q-point: ( 0.33 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( 11.753 27.953 8.132) 31.395 3.684 ( 10.087 33.205 9.274) 35.921 4.426 ( -17.878 24.429 4.120) 30.551 4.514 ( -20.001 18.697 7.358) 28.350 5.210 ( 2.767 3.108 -3.223) 5.263 5.293 ( -0.977 3.921 0.658) 4.095 5.860 ( 22.755 19.255 -2.455) 29.910 6.181 ( 3.738 6.200 -7.599) 10.495 6.437 ( 0.233 13.204 -1.118) 13.254 6.602 ( 0.676 12.918 5.499) 14.056 6.741 ( -2.928 10.390 6.009) 12.354 7.037 ( -13.015 14.631 6.527) 20.641 8.402 ( 9.271 13.660 -8.300) 18.477 8.712 ( -3.485 19.924 -4.475) 20.716 8.936 ( 4.602 8.763 0.734) 9.925 9.231 ( -5.756 6.575 -5.172) 10.155 9.648 ( 3.003 0.006 2.411) 3.851 9.821 ( -4.634 13.685 6.598) 15.884 10.072 ( 2.892 12.335 -8.912) 15.490 10.198 ( -6.006 14.494 -6.359) 16.929 10.431 ( 9.813 -5.097 2.661) 11.373 10.805 ( -7.064 -1.977 -5.006) 8.881 11.228 ( 10.223 -12.395 -3.346) 16.412 11.635 ( -8.324 1.217 0.135) 8.413 12.203 ( 12.940 11.138 0.219) 17.074 12.437 ( 13.335 -13.129 3.142) 18.975 12.544 ( -3.705 5.075 11.872) 13.432 13.263 ( -21.550 -0.405 -7.986) 22.986 13.681 ( 2.716 -24.849 -2.152) 25.089 13.832 ( -5.446 -25.550 -1.484) 26.166 14.736 ( 7.442 -18.290 -1.984) 19.845 14.872 ( 1.199 -17.476 2.543) 17.701 17.281 ( 6.797 20.937 -3.028) 22.220 17.632 ( -9.632 16.536 -6.025) 20.063 18.916 ( 2.505 -6.732 1.865) 7.421 18.985 ( -0.880 -7.781 1.370) 7.950 ======================= Grid point 136 (52/160) ======================= q-point: (-0.50 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( -5.823 23.467 9.414) 25.947 3.790 ( 5.823 23.467 9.414) 25.947 4.217 ( -4.006 27.862 6.369) 28.860 4.217 ( 4.006 27.862 6.369) 28.860 5.260 ( -2.208 1.344 -1.210) 2.854 5.260 ( 2.208 1.344 -1.210) 2.854 6.181 ( -6.827 8.213 -9.221) 14.110 6.181 ( 6.827 8.213 -9.221) 14.110 6.521 ( -9.915 18.746 3.237) 21.453 6.521 ( 9.915 18.746 3.237) 21.453 6.786 ( -9.148 14.508 8.626) 19.198 6.786 ( 9.148 14.508 8.626) 19.198 8.585 ( -8.451 16.713 -7.025) 20.002 8.585 ( 8.451 16.713 -7.025) 20.002 9.083 ( -8.528 5.724 -3.151) 10.744 9.083 ( 8.528 5.724 -3.151) 10.744 9.721 ( -4.644 7.082 6.328) 10.572 9.721 ( 4.644 7.082 6.328) 10.572 10.119 ( -2.468 15.374 -8.423) 17.703 10.119 ( 2.468 15.374 -8.423) 17.703 10.635 ( -9.894 -4.625 -1.089) 10.976 10.635 ( 9.894 -4.625 -1.089) 10.976 11.444 ( -10.719 -5.983 -2.418) 12.511 11.444 ( 10.719 -5.983 -2.418) 12.511 12.411 ( -7.954 -0.591 10.045) 12.826 12.411 ( 7.954 -0.591 10.045) 12.826 12.817 ( -21.912 2.544 -3.976) 22.415 12.817 ( 21.912 2.544 -3.976) 22.415 13.745 ( -3.707 -25.150 -2.348) 25.530 13.745 ( 3.707 -25.150 -2.348) 25.530 14.849 ( -3.616 -18.287 -0.577) 18.650 14.849 ( 3.616 -18.287 -0.577) 18.650 17.441 ( -9.145 19.182 -4.380) 21.697 17.441 ( 9.145 19.182 -4.380) 21.697 18.959 ( -1.774 -7.307 1.512) 7.669 18.959 ( 1.774 -7.307 1.512) 7.669 ======================= Grid point 140 (53/160) ======================= q-point: ( 0.00 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.145 ( 0.000 33.992 4.301) 34.263 4.181 ( 0.000 39.022 0.864) 39.032 5.254 ( 0.000 5.075 -5.037) 7.151 5.256 ( 0.000 8.335 -0.392) 8.345 5.361 ( 0.000 12.136 -0.151) 12.137 5.363 ( 0.000 12.237 4.444) 13.019 5.660 ( 0.000 14.682 5.716) 15.756 5.981 ( 0.000 -6.794 1.450) 6.947 6.558 ( 0.000 8.662 -6.710) 10.957 6.881 ( 0.000 1.990 0.080) 1.991 7.014 ( 0.000 11.133 14.116) 17.978 7.179 ( 0.000 -3.128 4.088) 5.148 8.400 ( 0.000 12.093 -14.641) 18.990 9.192 ( 0.000 -0.611 -3.968) 4.015 9.251 ( 0.000 14.011 15.744) 21.076 9.360 ( 0.000 31.541 2.566) 31.646 9.603 ( 0.000 -3.205 -5.006) 5.943 9.795 ( 0.000 -2.072 -1.035) 2.316 10.081 ( 0.000 -11.259 11.443) 16.053 10.336 ( 0.000 8.678 -6.080) 10.596 10.633 ( 0.000 -3.164 -9.107) 9.641 10.794 ( 0.000 12.557 0.290) 12.560 11.302 ( 0.000 19.233 -13.622) 23.568 11.724 ( 0.000 -12.991 2.614) 13.251 11.886 ( 0.000 -9.498 -9.898) 13.717 11.982 ( 0.000 -5.060 10.565) 11.714 12.822 ( 0.000 12.439 6.323) 13.953 13.163 ( 0.000 -18.657 -0.405) 18.661 13.339 ( 0.000 -16.812 -4.450) 17.391 14.037 ( 0.000 -7.008 -14.157) 15.797 14.116 ( 0.000 -4.873 3.999) 6.303 14.506 ( 0.000 -11.846 7.456) 13.997 17.543 ( 0.000 18.648 -1.692) 18.725 18.083 ( 0.000 9.107 -6.088) 10.955 18.706 ( 0.000 -7.765 1.710) 7.952 18.787 ( 0.000 -12.877 0.977) 12.914 ======================= Grid point 141 (54/160) ======================= q-point: ( 0.17 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.087 ( -2.798 32.837 1.049) 32.973 4.232 ( 3.534 34.603 6.707) 35.423 5.116 ( -12.385 11.331 2.177) 16.927 5.170 ( -9.731 15.397 0.730) 18.228 5.257 ( -2.346 5.678 -1.319) 6.283 5.413 ( -3.513 4.457 2.372) 6.151 5.791 ( 14.621 12.222 -1.025) 19.084 6.063 ( 6.813 -4.100 0.304) 7.957 6.629 ( 5.974 10.661 -4.673) 13.084 6.790 ( -4.614 3.141 2.107) 5.966 7.063 ( 1.697 13.802 10.901) 17.670 7.243 ( 4.502 0.228 3.870) 5.940 8.448 ( 4.884 11.141 -12.667) 17.563 9.038 ( -7.105 5.046 2.008) 8.943 9.341 ( -1.070 28.812 0.157) 28.832 9.443 ( 2.869 10.851 2.290) 11.455 9.519 ( 1.425 -4.799 -1.956) 5.375 9.899 ( 6.800 -5.019 3.302) 9.074 10.047 ( -3.071 -6.871 11.373) 13.638 10.313 ( -2.508 6.008 -5.105) 8.274 10.624 ( 0.386 1.792 -8.447) 8.643 10.857 ( 6.306 9.318 0.435) 11.260 11.250 ( -5.474 21.278 -13.926) 26.013 11.674 ( -5.658 -10.543 -4.470) 12.773 11.908 ( 4.590 -15.791 4.789) 17.128 12.060 ( 5.229 -8.152 4.252) 10.577 12.837 ( 1.767 13.501 4.651) 14.389 13.184 ( 1.903 -18.465 -0.127) 18.563 13.331 ( -0.833 -15.144 -4.201) 15.738 13.781 ( -15.927 -0.097 -3.773) 16.368 14.290 ( 8.328 -10.345 -4.439) 14.002 14.537 ( 2.497 -12.200 4.997) 13.418 17.572 ( 2.850 18.250 -1.907) 18.570 18.034 ( -4.659 10.133 -5.599) 12.479 18.722 ( 1.372 -8.337 1.496) 8.581 18.788 ( 0.066 -12.657 0.949) 12.692 ======================= Grid point 142 (55/160) ======================= q-point: ( 0.33 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.092 ( 3.974 26.047 3.838) 26.626 4.298 ( 1.762 27.986 8.525) 29.308 4.842 ( -12.090 18.877 4.677) 22.899 4.949 ( -11.355 23.130 2.863) 25.925 5.225 ( -0.500 -0.105 -1.954) 2.019 5.322 ( -4.630 -0.350 0.447) 4.664 6.075 ( 10.676 0.573 -6.016) 12.268 6.211 ( 6.107 -1.190 -1.511) 6.403 6.707 ( 4.601 13.785 -2.722) 14.785 6.856 ( 10.294 11.560 4.394) 16.091 7.034 ( -4.683 17.630 7.561) 19.747 7.270 ( -3.438 8.504 4.012) 10.011 8.591 ( 9.284 8.755 -8.645) 15.414 8.927 ( -4.950 5.131 -2.398) 7.522 9.293 ( -3.464 19.942 -3.646) 20.566 9.334 ( -5.424 2.063 -7.105) 9.174 9.710 ( 9.473 9.065 7.523) 15.116 9.957 ( -3.883 1.638 16.015) 16.560 10.030 ( 4.606 -9.746 1.805) 10.930 10.237 ( -4.829 0.564 -4.355) 6.527 10.697 ( 7.225 10.351 -8.207) 15.057 11.034 ( 10.694 3.873 -0.216) 11.376 11.096 ( -9.064 19.837 -12.111) 24.947 11.512 ( -10.216 -6.607 -4.773) 13.069 12.038 ( 6.923 -22.780 8.260) 25.201 12.142 ( 2.371 -15.100 5.192) 16.143 12.912 ( 6.394 15.306 0.350) 16.591 13.221 ( 0.758 -19.936 -1.140) 19.983 13.304 ( -1.822 -6.727 -3.185) 7.662 13.467 ( -14.270 4.257 0.152) 14.892 14.432 ( 6.255 -13.091 -3.886) 15.020 14.571 ( 0.243 -13.227 0.504) 13.239 17.654 ( 5.291 17.025 -2.538) 18.008 17.915 ( -6.872 12.485 -4.574) 14.967 18.752 ( 1.494 -9.610 1.175) 9.796 18.787 ( -0.239 -12.001 0.920) 12.039 ======================= Grid point 143 (56/160) ======================= q-point: (-0.50 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.229 ( -8.003 21.029 7.420) 23.692 4.229 ( 8.003 21.029 7.420) 23.692 4.768 ( -4.965 26.950 3.813) 27.668 4.768 ( 4.965 26.950 3.813) 27.668 5.246 ( -2.679 -2.036 -0.737) 3.445 5.246 ( 2.679 -2.036 -0.737) 3.445 6.219 ( -4.369 -3.815 -5.424) 7.941 6.219 ( 4.369 -3.815 -5.424) 7.941 6.879 ( -9.792 17.469 2.078) 20.133 6.879 ( 9.792 17.469 2.078) 20.133 7.101 ( -12.181 15.260 5.158) 20.195 7.101 ( 12.181 15.260 5.158) 20.195 8.789 ( -9.395 6.289 -5.825) 12.718 8.789 ( 9.395 6.289 -5.825) 12.718 9.264 ( -1.509 8.610 -6.132) 10.678 9.264 ( 1.509 8.610 -6.132) 10.678 9.858 ( -5.849 9.064 13.017) 16.907 9.858 ( 5.849 9.064 13.017) 16.907 10.133 ( -5.436 -6.835 -1.719) 8.900 10.133 ( 5.436 -6.835 -1.719) 8.900 10.885 ( -10.740 16.391 -9.746) 21.886 10.885 ( 10.740 16.391 -9.746) 21.886 11.281 ( -12.597 -2.464 -2.109) 13.008 11.281 ( 12.597 -2.464 -2.109) 13.008 12.139 ( -2.746 -21.924 7.781) 23.425 12.139 ( 2.746 -21.924 7.781) 23.425 13.096 ( -11.264 8.473 -3.862) 14.615 13.096 ( 11.264 8.473 -3.862) 14.615 13.310 ( -2.823 -8.748 1.301) 9.284 13.310 ( 2.823 -8.748 1.301) 9.284 14.535 ( -3.793 -13.861 -2.409) 14.571 14.535 ( 3.793 -13.861 -2.409) 14.571 17.776 ( -6.824 15.009 -3.484) 16.852 17.776 ( 6.824 15.009 -3.484) 16.852 18.776 ( -0.895 -10.943 0.982) 11.024 18.776 ( 0.895 -10.943 0.982) 11.024 ======================= Grid point 147 (57/160) ======================= q-point: ( 0.00 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.748 ( 0.000 26.667 2.415) 26.776 4.879 ( 0.000 30.173 -4.447) 30.499 5.326 ( 0.000 2.145 -7.262) 7.572 5.343 ( 0.000 -0.521 2.347) 2.404 5.560 ( 0.000 7.893 0.273) 7.898 5.584 ( 0.000 9.445 7.059) 11.791 5.829 ( 0.000 1.597 3.495) 3.842 5.837 ( 0.000 -7.054 2.974) 7.655 6.672 ( 0.000 3.857 -7.429) 8.370 6.851 ( 0.000 -4.295 -1.414) 4.522 7.121 ( 0.000 1.235 14.074) 14.128 7.143 ( 0.000 -0.823 7.364) 7.410 8.690 ( 0.000 16.662 -14.214) 21.901 9.222 ( 0.000 0.782 -4.648) 4.713 9.399 ( 0.000 -7.197 -9.737) 12.108 9.535 ( 0.000 11.791 16.828) 20.548 9.705 ( 0.000 -5.987 -1.258) 6.118 9.868 ( 0.000 -8.205 10.310) 13.177 10.072 ( 0.000 32.105 6.807) 32.819 10.414 ( 0.000 -2.044 -6.497) 6.811 10.586 ( 0.000 10.885 -4.405) 11.743 11.091 ( 0.000 -22.751 3.627) 23.038 11.311 ( 0.000 26.666 -3.402) 26.882 11.513 ( 0.000 -17.429 -9.802) 19.996 11.667 ( 0.000 -19.808 9.615) 22.018 12.126 ( 0.000 25.763 -5.147) 26.272 12.593 ( 0.000 -27.047 -2.488) 27.161 12.889 ( 0.000 -12.124 -0.562) 12.137 13.429 ( 0.000 16.867 -2.813) 17.099 13.914 ( 0.000 -6.683 -12.582) 14.246 14.109 ( 0.000 2.899 4.558) 5.402 14.315 ( 0.000 -7.645 6.536) 10.058 17.884 ( 0.000 16.277 -1.070) 16.312 18.243 ( 0.000 7.396 -4.167) 8.489 18.506 ( 0.000 -15.146 0.532) 15.156 18.547 ( 0.000 -8.146 -0.072) 8.146 ======================= Grid point 148 (58/160) ======================= q-point: ( 0.17 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.665 ( -6.999 25.014 -2.132) 26.062 4.844 ( -2.326 26.578 5.282) 27.198 5.204 ( -7.813 -2.583 -4.598) 9.426 5.320 ( -3.202 4.585 0.158) 5.595 5.451 ( -11.701 3.988 4.354) 13.106 5.570 ( -2.814 15.317 4.677) 16.260 5.817 ( 6.269 -7.596 -2.840) 10.250 6.021 ( 8.944 -2.171 3.050) 9.696 6.794 ( 10.736 5.910 -5.656) 13.497 6.829 ( 1.733 1.877 -1.398) 2.912 7.222 ( 6.851 2.115 10.247) 12.507 7.242 ( 8.077 0.140 8.033) 11.392 8.709 ( 2.237 15.093 -12.442) 19.688 9.173 ( -4.773 7.986 -0.003) 9.304 9.321 ( -5.455 -10.724 -9.603) 15.394 9.613 ( -0.882 -1.874 4.069) 4.566 9.682 ( 4.406 3.369 4.165) 6.936 9.896 ( 2.757 -6.135 10.801) 12.724 10.067 ( -0.453 26.016 7.130) 26.980 10.454 ( 1.348 3.391 -7.079) 7.964 10.557 ( -0.417 7.891 -1.689) 8.081 11.128 ( 2.007 -18.901 -1.461) 19.063 11.334 ( 1.871 20.620 -3.266) 20.960 11.482 ( -1.460 -14.622 -4.922) 15.497 11.673 ( 0.419 -17.832 8.690) 19.841 12.080 ( -4.534 23.582 -4.302) 24.396 12.607 ( 1.632 -26.930 -3.226) 27.172 12.882 ( -1.093 -14.829 -0.589) 14.881 13.456 ( 2.642 18.054 -2.414) 18.405 13.865 ( -4.375 4.308 -6.863) 9.209 14.130 ( 2.210 -4.962 0.636) 5.469 14.334 ( 1.248 -8.724 4.113) 9.725 17.905 ( 2.043 15.882 -1.226) 16.059 18.213 ( -2.893 8.342 -3.841) 9.629 18.512 ( 0.567 -14.885 0.440) 14.902 18.549 ( 0.150 -8.912 -0.112) 8.914 ======================= Grid point 149 (59/160) ======================= q-point: ( 0.33 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.563 ( -1.779 21.153 0.474) 21.233 4.758 ( -6.956 18.622 7.986) 21.423 5.080 ( -3.611 -2.855 -2.024) 5.028 5.217 ( -9.889 -2.317 3.652) 10.793 5.283 ( 0.588 15.373 0.014) 15.385 5.478 ( -6.103 19.845 2.587) 20.922 5.945 ( 6.193 -11.466 -3.148) 13.407 6.118 ( 0.087 -9.164 0.225) 9.167 6.967 ( 11.464 11.698 -3.463) 16.741 7.062 ( 14.281 8.385 -0.198) 16.562 7.304 ( -0.094 8.300 6.867) 10.773 7.372 ( 3.359 2.323 4.830) 6.325 8.790 ( 5.793 11.433 -7.280) 14.740 9.049 ( -6.933 7.884 -0.631) 10.517 9.239 ( -1.712 -8.140 -6.633) 10.639 9.468 ( -9.662 -6.427 -1.824) 11.747 9.878 ( 10.376 1.805 0.705) 10.555 9.980 ( 6.242 2.506 12.023) 13.776 10.053 ( -1.158 16.376 8.126) 18.318 10.361 ( -8.303 8.856 -4.954) 13.112 10.667 ( 8.988 1.903 -1.354) 9.286 11.074 ( -7.961 -10.345 -8.769) 15.726 11.391 ( 4.468 2.228 2.901) 5.774 11.500 ( 1.611 -8.075 -2.638) 8.647 11.696 ( 2.773 -7.815 7.580) 11.235 11.957 ( -7.417 17.542 -2.390) 19.195 12.662 ( 3.792 -25.997 -4.027) 26.579 12.836 ( -3.543 -20.154 -1.507) 20.518 13.532 ( 4.916 20.468 -1.178) 21.083 13.761 ( -5.764 16.731 -1.311) 17.744 14.196 ( 4.191 -11.431 -2.528) 12.435 14.338 ( -1.270 -11.059 0.327) 11.136 17.963 ( 3.681 14.695 -1.678) 15.242 18.137 ( -4.433 10.481 -3.133) 11.803 18.527 ( 0.809 -14.018 0.238) 14.044 18.549 ( -0.176 -10.651 -0.098) 10.653 ======================= Grid point 150 (60/160) ======================= q-point: (-0.50 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.610 ( -6.094 17.420 4.775) 19.063 4.610 ( 6.094 17.420 4.775) 19.063 5.080 ( -3.578 -3.136 1.098) 4.883 5.080 ( 3.578 -3.136 1.098) 4.883 5.353 ( -5.725 20.037 1.404) 20.887 5.353 ( 5.725 20.037 1.404) 20.887 6.059 ( -4.982 -12.031 -2.137) 13.196 6.059 ( 4.982 -12.031 -2.137) 13.196 7.185 ( -8.160 12.751 0.812) 15.160 7.185 ( 8.160 12.751 0.812) 15.160 7.327 ( -7.461 6.844 2.369) 10.399 7.327 ( 7.461 6.844 2.369) 10.399 8.917 ( -6.510 7.699 -2.655) 10.426 8.917 ( 6.510 7.699 -2.655) 10.426 9.289 ( -6.857 -6.187 -4.104) 10.106 9.289 ( 6.857 -6.187 -4.104) 10.106 10.009 ( -3.636 5.511 6.669) 9.384 10.009 ( 3.636 5.511 6.669) 9.384 10.167 ( -10.831 8.596 0.779) 13.850 10.167 ( 10.831 8.596 0.779) 13.850 10.871 ( -11.118 -3.820 -4.885) 12.730 10.871 ( 11.118 -3.820 -4.885) 12.730 11.481 ( -3.496 -7.081 1.803) 8.101 11.481 ( 3.496 -7.081 1.803) 8.101 11.804 ( -7.441 7.815 1.245) 10.862 11.804 ( 7.441 7.815 1.245) 10.862 12.750 ( -4.762 -24.003 -3.237) 24.684 12.750 ( 4.762 -24.003 -3.237) 24.684 13.643 ( -5.989 21.247 -0.122) 22.075 13.643 ( 5.989 21.247 -0.122) 22.075 14.282 ( -4.029 -12.522 -2.209) 13.338 14.282 ( 4.029 -12.522 -2.209) 13.338 18.046 ( -4.578 12.800 -2.355) 13.796 18.046 ( 4.578 12.800 -2.355) 13.796 18.541 ( -0.611 -12.529 0.036) 12.544 18.541 ( 0.611 -12.529 0.036) 12.544 ======================= Grid point 154 (61/160) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.165 ( 0.000 -13.241 1.635) 13.342 5.165 ( 0.000 13.241 1.635) 13.342 5.298 ( 0.000 -6.324 -9.018) 11.015 5.298 ( 0.000 6.324 -9.018) 11.015 5.716 ( 0.000 -2.858 5.585) 6.274 5.716 ( 0.000 2.858 5.585) 6.274 5.732 ( 0.000 -1.629 4.351) 4.646 5.732 ( 0.000 1.629 4.351) 4.646 6.752 ( 0.000 -4.870 -4.981) 6.966 6.752 ( 0.000 4.870 -4.981) 6.966 7.131 ( 0.000 -0.461 11.810) 11.819 7.131 ( 0.000 0.461 11.810) 11.819 9.021 ( 0.000 -16.144 -12.199) 20.235 9.021 ( 0.000 16.144 -12.199) 20.235 9.483 ( 0.000 -10.350 -0.609) 10.368 9.483 ( 0.000 10.350 -0.609) 10.368 9.742 ( 0.000 -5.617 9.288) 10.854 9.742 ( 0.000 5.617 9.288) 10.854 10.505 ( 0.000 -0.388 -3.290) 3.312 10.505 ( 0.000 0.388 -3.290) 3.312 10.746 ( 0.000 -5.034 7.599) 9.115 10.746 ( 0.000 5.034 7.599) 9.115 11.270 ( 0.000 -0.457 -1.836) 1.892 11.270 ( 0.000 0.457 -1.836) 1.892 11.980 ( 0.000 -30.625 -2.744) 30.747 11.980 ( 0.000 30.625 -2.744) 30.747 12.597 ( 0.000 -18.308 -2.908) 18.537 12.597 ( 0.000 18.308 -2.908) 18.537 13.730 ( 0.000 -12.500 -8.701) 15.230 13.730 ( 0.000 12.500 -8.701) 15.230 14.193 ( 0.000 -5.153 6.016) 7.921 14.193 ( 0.000 5.153 6.016) 7.921 18.196 ( 0.000 -15.489 -0.382) 15.494 18.196 ( 0.000 15.489 -0.382) 15.494 18.393 ( 0.000 -7.333 -1.989) 7.598 18.393 ( 0.000 7.333 -1.989) 7.598 ======================= Grid point 156 (62/160) ======================= q-point: ( 0.17 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.046 ( -8.759 -13.185 -3.321) 16.174 5.046 ( -8.759 13.185 -3.321) 16.174 5.243 ( -7.364 -12.310 3.758) 14.829 5.243 ( -7.364 12.310 3.758) 14.829 5.596 ( -1.175 -10.231 -1.579) 10.419 5.596 ( -1.175 10.231 -1.579) 10.419 5.876 ( 3.506 -11.864 4.971) 13.333 5.876 ( 3.506 11.864 4.971) 13.333 6.855 ( 10.600 -0.619 -6.014) 12.203 6.855 ( 10.600 0.619 -6.014) 12.203 7.233 ( 8.530 -0.709 11.238) 14.127 7.233 ( 8.530 0.709 11.238) 14.127 9.019 ( -0.185 -15.627 -10.974) 19.096 9.019 ( -0.185 15.627 -10.974) 19.096 9.414 ( -6.532 -12.196 0.782) 13.857 9.414 ( -6.532 12.196 0.782) 13.857 9.790 ( 5.056 -5.053 7.919) 10.668 9.790 ( 5.056 5.053 7.919) 10.668 10.475 ( -3.411 -11.335 -5.148) 12.908 10.475 ( -3.411 11.335 -5.148) 12.908 10.807 ( 5.703 -15.601 8.186) 18.518 10.807 ( 5.703 15.601 8.186) 18.518 11.239 ( -2.951 -6.900 -0.808) 7.548 11.239 ( -2.951 6.900 -0.808) 7.548 12.013 ( 3.319 -30.043 -3.100) 30.385 12.013 ( 3.319 30.043 -3.100) 30.385 12.545 ( -4.972 -19.755 -2.952) 20.584 12.545 ( -4.972 19.755 -2.952) 20.584 13.772 ( 4.056 -12.568 -7.541) 15.207 13.772 ( 4.056 12.568 -7.541) 15.207 14.176 ( -1.800 -7.269 4.909) 8.954 14.176 ( -1.800 7.269 4.909) 8.954 18.209 ( 1.302 -15.128 -0.480) 15.191 18.209 ( 1.302 15.128 -0.480) 15.191 18.379 ( -1.355 -8.182 -1.868) 8.501 18.379 ( -1.355 8.182 -1.868) 8.501 ======================= Grid point 158 (63/160) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.906 ( -4.090 -13.276 -1.542) 13.977 4.906 ( -4.090 13.276 -1.542) 13.977 5.053 ( -9.813 -11.605 5.905) 16.305 5.053 ( -9.813 11.605 5.905) 16.305 5.645 ( 4.753 -16.758 -2.009) 17.534 5.645 ( 4.753 16.758 -2.009) 17.534 5.861 ( -3.966 -15.896 2.364) 16.553 5.861 ( -3.966 15.896 2.364) 16.553 7.125 ( 14.454 -3.072 -4.354) 15.405 7.125 ( 14.454 3.072 -4.354) 15.405 7.382 ( 4.338 -1.285 7.419) 8.690 7.382 ( 4.338 1.285 7.419) 8.690 9.026 ( 1.507 -11.738 -6.740) 13.619 9.026 ( 1.507 11.738 -6.740) 13.619 9.256 ( -8.585 -11.538 1.773) 14.490 9.256 ( -8.585 11.538 1.773) 14.490 9.943 ( 9.986 -4.851 3.844) 11.748 9.943 ( 9.986 4.851 3.844) 11.748 10.360 ( -8.219 -11.126 -4.818) 14.647 10.360 ( -8.219 11.126 -4.818) 14.647 10.939 ( 6.868 -19.550 6.894) 21.838 10.939 ( 6.868 19.550 6.894) 21.838 11.163 ( -4.510 -14.048 1.744) 14.857 11.163 ( -4.510 14.048 1.744) 14.857 12.110 ( 6.370 -28.251 -3.713) 29.197 12.110 ( 6.370 28.251 -3.713) 29.197 12.416 ( -7.662 -22.597 -3.258) 24.082 12.416 ( -7.662 22.597 -3.258) 24.082 13.879 ( 6.385 -12.611 -4.697) 14.896 13.879 ( 6.385 12.611 -4.697) 14.896 14.117 ( -4.267 -10.341 2.175) 11.396 14.117 ( -4.267 10.341 2.175) 11.396 18.245 ( 2.214 -14.037 -0.752) 14.231 18.245 ( 2.214 14.037 -0.752) 14.231 18.342 ( -2.262 -10.138 -1.549) 10.502 18.342 ( -2.262 10.138 -1.549) 10.502 ======================= Grid point 160 (64/160) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.906 ( -4.093 -12.384 2.495) 13.280 4.906 ( 4.068 -12.382 2.495) 13.270 4.906 ( -4.068 12.382 2.495) 13.270 4.906 ( 4.093 12.384 2.495) 13.280 5.756 ( -5.762 -18.467 -0.033) 19.345 5.756 ( 5.571 -18.452 -0.033) 19.275 5.756 ( -5.571 18.452 -0.033) 19.275 5.756 ( 5.762 18.467 -0.033) 19.345 7.355 ( -6.917 -3.804 0.868) 7.941 7.355 ( -1.003 -1.661 0.868) 2.125 7.355 ( 1.003 1.661 0.868) 2.125 7.355 ( 6.917 3.804 0.868) 7.941 9.102 ( -5.451 -10.561 -1.077) 11.934 9.102 ( 3.981 -10.396 -1.077) 11.184 9.102 ( -3.981 10.396 -1.077) 11.184 9.102 ( 5.451 10.561 -1.077) 11.934 10.161 ( -11.166 -8.014 -1.169) 13.794 10.161 ( 9.491 -7.455 -1.169) 12.125 10.161 ( -9.491 7.455 -1.169) 12.125 10.161 ( 11.166 8.014 -1.169) 13.794 11.063 ( -5.011 -21.357 4.552) 22.405 11.063 ( 4.672 -21.338 4.552) 22.313 11.063 ( -4.672 21.338 4.552) 22.313 11.063 ( 5.011 21.357 4.552) 22.405 12.256 ( -7.947 -25.933 -3.742) 27.381 12.256 ( 7.872 -25.928 -3.742) 27.353 12.256 ( -7.872 25.928 -3.742) 27.353 12.256 ( 7.947 25.933 -3.742) 27.381 14.010 ( -5.249 -15.769 -1.231) 16.665 14.010 ( 4.160 -15.687 -1.231) 16.276 14.010 ( -4.160 15.687 -1.231) 16.276 14.010 ( 5.249 15.769 -1.231) 16.665 18.293 ( -2.506 -12.528 -1.139) 12.827 18.293 ( 2.485 -12.527 -1.139) 12.822 18.293 ( -2.485 12.527 -1.139) 12.822 18.293 ( 2.506 12.528 -1.139) 12.827 ======================= Grid point 210 (65/160) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.000 0.000 39.696) 39.696 1.693 ( 0.000 0.000 40.554) 40.554 2.852 ( 0.000 0.000 63.694) 63.694 4.078 ( 0.000 0.000 4.776) 4.776 4.521 ( 0.000 0.000 -1.920) 1.920 4.762 ( 0.000 0.000 -4.272) 4.272 4.924 ( 0.000 0.000 -2.741) 2.741 5.124 ( 0.000 0.000 -15.853) 15.853 5.331 ( 0.000 0.000 -21.213) 21.213 6.224 ( 0.000 0.000 13.967) 13.967 6.244 ( 0.000 0.000 -13.421) 13.421 6.497 ( 0.000 0.000 6.361) 6.361 7.172 ( 0.000 0.000 -5.725) 5.725 7.763 ( 0.000 0.000 3.043) 3.043 7.849 ( 0.000 0.000 -0.510) 0.510 8.047 ( 0.000 0.000 -10.780) 10.780 9.382 ( 0.000 0.000 1.316) 1.316 9.582 ( 0.000 0.000 -9.588) 9.588 9.833 ( 0.000 0.000 4.623) 4.623 10.107 ( 0.000 0.000 0.437) 0.437 10.131 ( 0.000 0.000 -0.087) 0.087 10.727 ( 0.000 0.000 -18.635) 18.635 10.950 ( 0.000 0.000 -7.771) 7.771 12.403 ( 0.000 0.000 -35.421) 35.421 12.813 ( 0.000 0.000 1.422) 1.422 12.969 ( 0.000 0.000 -0.851) 0.851 13.019 ( 0.000 0.000 13.045) 13.045 13.045 ( 0.000 0.000 2.199) 2.199 13.681 ( 0.000 0.000 11.308) 11.308 15.445 ( 0.000 0.000 -13.631) 13.631 15.761 ( 0.000 0.000 0.830) 0.830 15.838 ( 0.000 0.000 -1.637) 1.637 16.256 ( 0.000 0.000 19.470) 19.470 17.169 ( 0.000 0.000 -3.058) 3.058 18.927 ( 0.000 0.000 -0.288) 0.288 18.936 ( 0.000 0.000 -0.405) 0.405 ======================= Grid point 211 (66/160) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 10.664 0.000 38.286) 39.743 1.867 ( 16.598 0.000 36.143) 39.772 3.224 ( 32.731 0.000 53.633) 62.832 3.861 ( -19.366 0.000 8.166) 21.017 4.016 ( -30.704 0.000 2.074) 30.774 5.017 ( 7.284 0.000 -7.026) 10.121 5.129 ( 15.946 0.000 -10.240) 18.950 5.253 ( 14.658 0.000 -10.739) 18.171 5.347 ( 1.076 0.000 -19.884) 19.913 6.090 ( -8.960 0.000 4.955) 10.239 6.316 ( 1.970 0.000 -0.697) 2.090 6.540 ( 4.331 0.000 6.039) 7.431 7.131 ( -4.076 0.000 -4.698) 6.220 7.298 ( -34.107 0.000 11.111) 35.871 7.917 ( 7.432 0.000 -6.004) 9.554 8.225 ( 8.012 0.000 -14.207) 16.311 9.247 ( -8.218 0.000 -7.234) 10.949 9.715 ( 7.570 0.000 -4.970) 9.056 9.854 ( 2.090 0.000 4.223) 4.712 10.112 ( -1.861 0.000 0.172) 1.869 10.116 ( 0.865 0.000 2.849) 2.978 10.679 ( -18.072 0.000 -15.722) 23.954 11.018 ( 18.937 0.000 -8.056) 20.579 12.277 ( -7.652 0.000 -25.092) 26.233 12.824 ( 1.084 0.000 1.243) 1.650 12.923 ( -0.824 0.000 3.041) 3.151 12.959 ( -0.975 0.000 -0.723) 1.214 13.288 ( 7.213 0.000 13.062) 14.921 13.771 ( 11.487 0.000 -1.712) 11.614 15.275 ( -14.658 0.000 -9.284) 17.351 15.786 ( 1.544 0.000 -1.094) 1.892 15.834 ( -0.366 0.000 -2.041) 2.074 16.347 ( 7.748 0.000 15.778) 17.578 17.051 ( -9.891 0.000 2.204) 10.134 18.928 ( 0.042 0.000 -0.293) 0.296 18.935 ( -0.071 0.000 -0.394) 0.400 ======================= Grid point 212 (67/160) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 23.180 0.000 28.581) 36.800 2.299 ( 25.617 0.000 27.768) 37.779 3.277 ( -31.459 0.000 7.147) 32.261 3.393 ( -26.510 0.000 13.807) 29.890 4.147 ( 45.988 0.000 44.389) 63.917 5.161 ( 6.852 0.000 -12.586) 14.331 5.347 ( -1.580 0.000 -17.691) 17.762 5.377 ( 11.148 0.000 -15.191) 18.843 5.553 ( 10.125 0.000 -10.768) 14.780 5.820 ( -21.825 0.000 18.597) 28.673 6.307 ( -2.000 0.000 1.914) 2.769 6.642 ( -26.503 0.000 10.782) 28.612 6.666 ( 8.159 0.000 4.441) 9.289 7.014 ( -7.481 0.000 -2.015) 7.747 8.094 ( 9.764 0.000 -8.588) 13.003 8.333 ( 2.051 0.000 -19.341) 19.450 9.173 ( 2.949 0.000 -12.742) 13.079 9.738 ( -9.274 0.000 -14.557) 17.260 9.911 ( 3.515 0.000 3.213) 4.763 10.060 ( -3.288 0.000 0.907) 3.411 10.115 ( -0.361 0.000 6.130) 6.140 10.308 ( -12.608 0.000 6.660) 14.259 11.469 ( 23.355 0.000 -19.986) 30.740 12.134 ( -8.658 0.000 -28.192) 29.492 12.854 ( 1.835 0.000 0.776) 1.992 12.932 ( -1.726 0.000 -0.356) 1.762 12.965 ( 5.074 0.000 11.258) 12.348 13.270 ( -6.314 0.000 20.503) 21.454 14.112 ( 20.192 0.000 -12.607) 23.805 14.929 ( -19.443 0.000 -8.253) 21.122 15.809 ( 0.805 0.000 -1.715) 1.894 15.827 ( -0.316 0.000 -2.315) 2.336 16.513 ( 8.394 0.000 11.511) 14.246 16.849 ( -9.555 0.000 7.275) 12.010 18.929 ( 0.084 0.000 -0.308) 0.319 18.933 ( -0.113 0.000 -0.366) 0.383 ======================= Grid point 213 (68/160) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -30.294 0.000 16.368) 34.433 2.648 ( 30.294 0.000 16.368) 34.433 2.842 ( -28.243 0.000 20.152) 34.695 2.842 ( 28.243 0.000 20.152) 34.695 5.093 ( -45.141 0.000 37.250) 58.526 5.093 ( 45.141 0.000 37.250) 58.526 5.281 ( -4.935 0.000 -15.687) 16.445 5.281 ( 4.935 0.000 -15.687) 16.445 5.586 ( -5.590 0.000 -18.628) 19.449 5.586 ( 5.590 0.000 -18.628) 19.449 6.340 ( -7.012 0.000 7.002) 9.909 6.340 ( 7.012 0.000 7.002) 9.909 6.845 ( -9.244 0.000 1.408) 9.351 6.845 ( 9.244 0.000 1.408) 9.351 8.275 ( -7.288 0.000 -14.703) 16.410 8.275 ( 7.288 0.000 -14.703) 16.410 9.399 ( -18.319 0.000 -17.969) 25.661 9.399 ( 18.319 0.000 -17.969) 25.661 9.987 ( -3.916 0.000 1.994) 4.394 9.987 ( 3.916 0.000 1.994) 4.394 10.166 ( -4.730 0.000 10.769) 11.762 10.166 ( 4.730 0.000 10.769) 11.762 11.880 ( -17.146 0.000 -27.364) 32.293 11.880 ( 17.146 0.000 -27.364) 32.293 12.893 ( -2.054 0.000 0.185) 2.062 12.893 ( 2.054 0.000 0.185) 2.062 13.110 ( -8.701 0.000 18.622) 20.554 13.110 ( 8.701 0.000 18.622) 20.554 14.524 ( -20.907 0.000 -10.824) 23.543 14.524 ( 20.907 0.000 -10.824) 23.543 15.820 ( -0.377 0.000 -2.091) 2.125 15.820 ( 0.377 0.000 -2.091) 2.125 16.676 ( -8.165 0.000 9.251) 12.339 16.676 ( 8.165 0.000 9.251) 12.339 18.931 ( -0.114 0.000 -0.334) 0.353 18.931 ( 0.114 0.000 -0.334) 0.353 ======================= Grid point 217 (69/160) ======================= q-point: ( 0.00 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.000 15.113 34.926) 38.055 1.970 ( 0.000 23.545 34.780) 42.000 3.143 ( 0.000 28.937 57.096) 64.010 4.212 ( 0.000 11.852 3.459) 12.346 4.556 ( 0.000 3.608 -1.207) 3.804 4.705 ( 0.000 -1.215 -4.976) 5.122 5.010 ( 0.000 -0.923 -9.396) 9.441 5.256 ( 0.000 17.560 -7.006) 18.906 5.495 ( 0.000 16.096 -17.743) 23.956 6.250 ( 0.000 2.971 12.177) 12.535 6.261 ( 0.000 1.573 -9.363) 9.494 6.638 ( 0.000 14.119 1.277) 14.176 7.435 ( 0.000 24.068 -9.837) 26.000 7.753 ( 0.000 -0.935 4.905) 4.993 7.987 ( 0.000 14.205 -3.030) 14.524 7.990 ( 0.000 -4.718 -9.960) 11.021 9.380 ( 0.000 -0.067 1.613) 1.615 9.526 ( 0.000 -4.781 -8.396) 9.662 9.991 ( 0.000 13.900 1.046) 13.940 10.078 ( 0.000 -1.924 1.295) 2.320 10.211 ( 0.000 4.704 -3.781) 6.035 10.750 ( 0.000 4.232 -10.578) 11.393 10.876 ( 0.000 -5.957 -5.189) 7.900 12.177 ( 0.000 -17.628 -18.434) 25.506 12.234 ( 0.000 -33.386 18.345) 38.095 12.839 ( 0.000 -2.054 -13.283) 13.441 13.110 ( 0.000 5.784 5.290) 7.838 13.577 ( 0.000 18.086 -7.506) 19.582 13.636 ( 0.000 -4.167 7.916) 8.946 15.471 ( 0.000 -4.757 -15.664) 16.370 15.853 ( 0.000 7.183 4.503) 8.478 15.899 ( 0.000 6.199 0.951) 6.272 16.116 ( 0.000 -11.584 13.953) 18.135 16.916 ( 0.000 -17.135 -4.099) 17.619 18.957 ( 0.000 2.603 0.895) 2.752 19.033 ( 0.000 7.154 -0.198) 7.157 ======================= Grid point 218 (70/160) ======================= q-point: ( 0.17 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 11.245 16.341 33.568) 38.991 2.145 ( 16.116 23.355 31.754) 42.586 3.447 ( 27.304 22.968 48.889) 60.524 3.977 ( -21.584 9.389 7.104) 24.586 4.113 ( -24.836 10.463 2.776) 27.093 5.001 ( 12.408 -0.072 -5.727) 13.666 5.131 ( 10.296 -2.152 -12.808) 16.574 5.314 ( 4.274 9.798 -10.892) 15.262 5.580 ( 8.640 19.362 -12.872) 24.804 6.091 ( -9.789 0.922 3.825) 10.550 6.347 ( 1.975 3.370 0.525) 3.941 6.691 ( 5.424 14.816 2.407) 15.961 7.262 ( -27.382 4.155 7.133) 28.600 7.420 ( -10.797 19.243 -4.474) 22.514 8.046 ( 7.339 12.819 -7.011) 16.351 8.198 ( 9.472 -1.657 -12.409) 15.698 9.224 ( -9.038 -2.195 -7.754) 12.109 9.663 ( 6.447 -3.669 -2.720) 7.901 10.008 ( 0.635 13.157 3.793) 13.707 10.071 ( 0.528 -2.520 -1.142) 2.816 10.209 ( -0.091 4.828 -1.843) 5.169 10.656 ( -17.325 0.587 -6.781) 18.613 10.996 ( 19.361 -1.397 -8.047) 21.013 12.051 ( -3.820 -18.231 -7.735) 20.169 12.436 ( 10.087 -26.383 3.743) 28.493 12.813 ( -2.453 -3.313 -10.517) 11.296 13.097 ( -0.686 5.963 6.122) 8.573 13.481 ( -5.939 4.507 8.976) 11.669 13.819 ( 13.598 4.590 -9.539) 17.233 15.277 ( -15.960 -4.492 -9.911) 19.317 15.906 ( 1.616 9.168 -0.571) 9.327 15.915 ( 2.221 8.939 -0.968) 9.262 16.183 ( 6.343 -15.747 13.510) 21.696 16.822 ( -8.089 -16.094 -0.274) 18.014 18.963 ( 0.532 3.038 0.714) 3.165 19.023 ( -0.803 6.812 0.047) 6.859 ======================= Grid point 219 (71/160) ======================= q-point: ( 0.33 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 21.883 15.411 26.685) 37.796 2.556 ( 24.171 22.329 25.553) 41.663 3.363 ( -29.914 9.687 8.785) 32.647 3.606 ( -25.578 18.511 12.031) 33.788 4.250 ( 41.791 11.291 39.732) 58.760 5.167 ( 5.168 0.062 -10.001) 11.257 5.352 ( 2.306 3.442 -13.002) 13.647 5.374 ( 9.468 -0.300 -12.412) 15.614 5.753 ( 1.085 13.704 -10.330) 17.195 5.868 ( -10.066 8.070 10.956) 16.926 6.319 ( -4.329 2.215 2.725) 5.574 6.634 ( -27.024 2.376 10.689) 29.158 6.851 ( 9.411 16.014 2.285) 18.715 7.249 ( -8.984 20.750 -3.750) 22.920 8.210 ( 8.335 11.843 -8.290) 16.687 8.352 ( 5.164 2.401 -18.527) 19.383 9.124 ( 1.099 -4.332 -12.421) 13.201 9.638 ( -11.155 -6.697 -11.486) 17.355 10.029 ( 2.904 2.626 7.863) 8.783 10.102 ( 2.506 7.943 -2.388) 8.664 10.203 ( -1.157 2.954 3.011) 4.374 10.314 ( -13.422 7.575 3.965) 15.913 11.431 ( 22.104 -3.205 -16.742) 27.914 11.990 ( -4.531 -12.636 -17.006) 21.666 12.593 ( 5.946 -20.300 5.139) 21.768 12.752 ( -3.343 -7.552 -2.579) 8.652 13.109 ( 2.313 4.808 8.377) 9.932 13.344 ( -7.652 1.904 13.197) 15.373 14.138 ( 18.012 0.997 -13.381) 22.460 14.916 ( -19.660 -3.800 -8.757) 21.856 15.928 ( 0.986 9.314 -0.853) 9.404 15.943 ( 0.509 11.905 -2.601) 12.196 16.332 ( 7.868 -17.281 9.890) 21.409 16.648 ( -8.679 -15.658 4.423) 18.441 18.976 ( 0.703 3.989 0.472) 4.078 19.006 ( -0.852 5.987 0.269) 6.054 ======================= Grid point 220 (72/160) ======================= q-point: (-0.50 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -27.477 12.087 17.341) 34.667 2.766 ( 27.477 12.087 17.341) 34.667 3.080 ( -26.269 21.135 18.366) 38.394 3.080 ( 26.269 21.135 18.366) 38.394 5.052 ( -30.257 -0.705 19.284) 35.887 5.052 ( 30.257 -0.705 19.284) 35.887 5.356 ( -4.919 4.951 -3.263) 7.705 5.356 ( 4.919 4.951 -3.263) 7.705 5.725 ( -9.959 12.903 -13.163) 20.951 5.725 ( 9.959 12.903 -13.163) 20.951 6.322 ( -7.250 0.777 5.983) 9.432 6.322 ( 7.250 0.777 5.983) 9.432 7.055 ( -10.394 18.715 -0.141) 21.408 7.055 ( 10.394 18.715 -0.141) 21.408 8.351 ( -4.878 8.012 -14.141) 16.969 8.351 ( 4.878 8.012 -14.141) 16.969 9.314 ( -16.601 -6.868 -15.603) 23.795 9.314 ( 16.601 -6.868 -15.603) 23.795 10.124 ( -6.134 0.456 9.836) 11.601 10.124 ( 6.134 0.456 9.836) 11.601 10.164 ( -3.443 11.285 -0.275) 11.802 10.164 ( 3.443 11.285 -0.275) 11.802 11.806 ( -14.504 -6.878 -21.455) 26.796 11.806 ( 14.504 -6.878 -21.455) 26.796 12.685 ( -3.648 -13.986 4.381) 15.103 12.685 ( 3.648 -13.986 4.381) 15.103 13.197 ( -6.472 2.775 11.841) 13.776 13.197 ( 6.472 2.775 11.841) 13.776 14.518 ( -19.961 -2.124 -11.238) 23.006 14.518 ( 19.961 -2.124 -11.238) 23.006 15.943 ( -0.424 11.001 -1.832) 11.160 15.943 ( 0.424 11.001 -1.832) 11.160 16.486 ( -7.787 -16.549 7.083) 19.613 16.486 ( 7.787 -16.549 7.083) 19.613 18.990 ( -0.755 5.015 0.351) 5.084 18.990 ( 0.755 5.015 0.351) 5.084 ======================= Grid point 224 (73/160) ======================= q-point: ( 0.00 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.000 26.579 25.280) 36.681 2.488 ( 0.000 28.091 29.534) 40.760 3.893 ( 0.000 42.950 40.791) 59.234 4.475 ( 0.000 13.987 0.575) 13.999 4.665 ( 0.000 7.571 0.307) 7.578 4.757 ( 0.000 6.640 -3.313) 7.421 4.975 ( 0.000 -0.401 -13.058) 13.065 5.655 ( 0.000 20.319 0.782) 20.334 5.880 ( 0.000 18.952 -9.349) 21.132 6.310 ( 0.000 4.194 -6.669) 7.878 6.355 ( 0.000 8.024 9.345) 12.318 7.033 ( 0.000 24.102 -2.617) 24.244 7.756 ( 0.000 3.229 5.165) 6.091 7.909 ( 0.000 -2.526 -10.192) 10.501 8.006 ( 0.000 31.632 -11.613) 33.697 8.399 ( 0.000 27.000 -6.129) 27.687 9.390 ( 0.000 1.411 2.407) 2.791 9.413 ( 0.000 -6.268 -7.387) 9.688 9.988 ( 0.000 -4.429 -1.655) 4.728 10.198 ( 0.000 -4.945 -8.304) 9.665 10.387 ( 0.000 22.260 -1.579) 22.316 10.691 ( 0.000 -8.694 1.009) 8.753 11.052 ( 0.000 21.699 -1.317) 21.739 11.712 ( 0.000 -21.119 13.358) 24.989 11.818 ( 0.000 -17.519 -5.275) 18.296 12.723 ( 0.000 -8.893 -12.119) 15.032 13.167 ( 0.000 -1.941 9.761) 9.952 13.545 ( 0.000 -4.229 -4.470) 6.153 13.764 ( 0.000 3.078 -9.731) 10.206 15.173 ( 0.000 -24.535 -12.204) 27.403 15.639 ( 0.000 -24.745 16.229) 29.592 15.768 ( 0.000 -20.368 10.480) 22.906 16.223 ( 0.000 18.641 -2.155) 18.765 16.906 ( 0.000 16.227 -16.437) 23.097 19.005 ( 0.000 1.595 3.011) 3.408 19.141 ( 0.000 3.125 1.115) 3.318 ======================= Grid point 225 (74/160) ======================= q-point: ( 0.17 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 11.962 27.320 25.098) 38.979 2.638 ( 14.551 25.592 27.686) 40.413 4.083 ( 14.080 37.867 32.857) 52.075 4.195 ( -19.846 13.661 7.836) 25.335 4.379 ( -14.796 14.585 3.006) 20.992 5.043 ( 11.657 4.133 -4.625) 13.204 5.092 ( 10.992 0.135 -11.830) 16.149 5.574 ( -5.044 14.389 -4.611) 15.929 5.994 ( 8.941 19.504 -5.546) 22.161 6.161 ( -9.480 7.296 -0.926) 11.998 6.444 ( 2.766 6.410 2.839) 7.536 7.072 ( 2.396 19.477 -1.144) 19.657 7.367 ( -24.682 12.041 9.016) 28.905 7.895 ( -7.099 21.912 -13.184) 26.540 8.192 ( 14.051 7.776 -10.468) 19.170 8.452 ( 4.753 25.717 -6.797) 27.021 9.169 ( -10.442 -2.989 -8.458) 13.766 9.604 ( 6.410 -1.528 -0.482) 6.607 9.971 ( -2.380 -5.602 -1.063) 6.179 10.184 ( -1.716 -5.500 -4.737) 7.459 10.357 ( -0.369 18.040 -1.501) 18.106 10.714 ( -3.834 0.051 -0.996) 3.962 11.094 ( 10.209 15.854 -2.412) 19.011 11.688 ( 0.889 -17.353 3.025) 17.637 11.998 ( 12.474 -17.857 4.195) 22.183 12.691 ( -3.186 -8.560 -11.388) 14.598 13.146 ( -1.701 -2.196 9.853) 10.237 13.461 ( -6.775 -3.542 -0.464) 7.659 13.873 ( 9.247 -0.214 -11.999) 15.150 15.016 ( -13.259 -21.528 -8.141) 26.562 15.726 ( 6.215 -27.637 10.853) 30.335 15.796 ( 2.734 -20.113 9.480) 22.402 16.238 ( 1.716 19.828 -2.473) 20.055 16.821 ( -7.804 16.877 -13.731) 23.114 19.019 ( 1.281 1.921 2.585) 3.466 19.132 ( -0.899 3.308 1.199) 3.632 ======================= Grid point 226 (75/160) ======================= q-point: ( 0.33 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 19.046 26.112 22.542) 39.405 3.020 ( 22.291 22.600 23.749) 39.645 3.652 ( -26.129 18.898 9.405) 33.590 4.009 ( -21.977 20.423 11.248) 32.041 4.609 ( 29.194 23.645 26.292) 45.854 5.184 ( 2.925 1.994 -6.976) 7.823 5.348 ( 12.229 0.428 -5.007) 13.221 5.507 ( -1.220 10.003 -11.356) 15.183 5.963 ( -9.025 11.265 0.228) 14.436 6.187 ( 8.938 18.421 -3.349) 20.747 6.401 ( -8.454 5.960 4.622) 11.330 6.747 ( -24.739 8.901 10.544) 28.327 7.284 ( 9.545 27.388 -1.604) 29.048 7.719 ( -10.141 24.525 -8.397) 27.835 8.450 ( 10.576 9.136 -14.259) 19.966 8.571 ( 6.379 23.907 -8.579) 26.189 9.025 ( -1.976 -5.150 -12.649) 13.800 9.535 ( -14.125 -2.753 -10.634) 17.893 9.962 ( 3.404 -5.112 6.660) 9.060 10.136 ( -3.141 -5.008 5.000) 7.742 10.396 ( 3.458 15.614 -3.811) 16.440 10.583 ( -6.539 12.316 -2.935) 14.249 11.404 ( 16.848 3.235 -6.925) 18.501 11.721 ( 0.849 -13.235 -2.372) 13.473 12.238 ( 11.222 -14.495 6.434) 19.427 12.596 ( -6.366 -8.129 -7.559) 12.796 13.123 ( 0.047 -3.537 9.477) 10.115 13.308 ( -8.045 -4.631 5.436) 10.757 14.099 ( 13.256 -5.368 -12.671) 19.107 14.714 ( -16.369 -16.790 -7.619) 24.655 15.824 ( 3.521 -25.854 7.404) 27.123 15.858 ( 2.504 -23.591 7.139) 24.774 16.305 ( 5.275 20.773 -3.571) 21.728 16.636 ( -10.018 17.670 -9.107) 22.261 19.049 ( 1.645 2.626 1.919) 3.645 19.109 ( -1.306 3.467 1.330) 3.937 ======================= Grid point 227 (76/160) ======================= q-point: (-0.50 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( -22.151 21.573 17.382) 35.471 3.105 ( 22.151 21.573 17.382) 35.471 3.543 ( -23.181 23.436 17.317) 37.235 3.543 ( 23.181 23.436 17.317) 37.235 5.099 ( -15.023 4.484 7.511) 17.385 5.099 ( 15.023 4.484 7.511) 17.385 5.485 ( -4.385 9.243 -7.061) 12.431 5.485 ( 4.385 9.243 -7.061) 12.431 6.006 ( -16.823 14.247 2.752) 22.216 6.006 ( 16.823 14.247 2.752) 22.216 6.433 ( -10.317 10.419 3.265) 15.022 6.433 ( 10.317 10.419 3.265) 15.022 7.502 ( -11.427 25.436 -4.467) 28.240 7.502 ( 11.427 25.436 -4.467) 28.240 8.596 ( -4.317 16.328 -12.338) 20.916 8.596 ( 4.317 16.328 -12.338) 20.916 9.188 ( -16.789 -4.367 -13.597) 22.042 9.188 ( 16.789 -4.367 -13.597) 22.042 10.055 ( -4.856 -4.230 8.386) 10.574 10.055 ( 4.856 -4.230 8.386) 10.574 10.476 ( -4.561 14.877 -4.253) 16.131 10.476 ( 4.561 14.877 -4.253) 16.131 11.662 ( -7.898 -5.966 -6.961) 12.100 11.662 ( 7.898 -5.966 -6.961) 12.100 12.441 ( -9.155 -9.955 0.901) 13.555 12.441 ( 9.155 -9.955 0.901) 13.555 13.171 ( -5.028 -5.121 8.705) 11.282 13.171 ( 5.028 -5.121 8.705) 11.282 14.390 ( -15.801 -11.242 -10.332) 21.972 14.390 ( 15.801 -11.242 -10.332) 21.972 15.871 ( -1.103 -24.320 6.295) 25.146 15.871 ( 1.103 -24.320 6.295) 25.146 16.446 ( -8.698 18.881 -5.693) 21.553 16.446 ( 8.698 18.881 -5.693) 21.553 19.081 ( -1.520 3.233 1.516) 3.881 19.081 ( 1.520 3.233 1.516) 3.881 ======================= Grid point 231 (77/160) ======================= q-point: ( 0.00 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 0.000 33.302 16.312) 37.082 3.069 ( 0.000 30.767 23.688) 38.830 4.639 ( 0.000 27.407 15.696) 31.583 4.750 ( 0.000 13.683 -1.423) 13.757 4.858 ( 0.000 12.039 2.049) 12.212 4.940 ( 0.000 9.548 -2.637) 9.905 5.095 ( 0.000 17.053 -0.989) 17.082 6.017 ( 0.000 16.305 4.358) 16.877 6.098 ( 0.000 3.180 -2.511) 4.052 6.481 ( 0.000 12.586 -6.650) 14.235 6.581 ( 0.000 15.331 9.014) 17.784 7.361 ( 0.000 4.743 1.622) 5.012 7.900 ( 0.000 1.439 -11.417) 11.507 8.066 ( 0.000 30.573 2.560) 30.679 8.628 ( 0.000 30.316 -6.681) 31.044 8.979 ( 0.000 26.304 -11.023) 28.520 9.319 ( 0.000 -0.030 -5.437) 5.437 9.460 ( 0.000 6.538 2.750) 7.093 9.931 ( 0.000 0.933 -0.847) 1.261 10.101 ( 0.000 -3.729 -8.608) 9.381 10.521 ( 0.000 -7.979 1.516) 8.122 10.751 ( 0.000 9.642 -9.624) 13.623 11.308 ( 0.000 -16.013 -0.715) 16.029 11.562 ( 0.000 -5.460 1.322) 5.618 11.574 ( 0.000 24.314 10.679) 26.556 12.508 ( 0.000 -12.534 -5.115) 13.537 13.040 ( 0.000 -8.986 15.028) 17.510 13.479 ( 0.000 -3.045 -14.199) 14.521 13.751 ( 0.000 -3.981 -8.804) 9.663 14.563 ( 0.000 -34.621 -9.353) 35.862 15.090 ( 0.000 -29.476 11.719) 31.720 15.333 ( 0.000 -21.464 8.495) 23.084 16.646 ( 0.000 22.988 -2.381) 23.111 17.297 ( 0.000 19.992 -16.158) 25.705 19.002 ( 0.000 -2.199 4.261) 4.795 19.145 ( 0.000 -2.811 1.751) 3.312 ======================= Grid point 232 (78/160) ======================= q-point: ( 0.17 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 11.565 31.725 17.215) 37.902 3.166 ( 9.692 28.588 23.240) 38.096 4.496 ( -20.448 17.759 5.605) 27.657 4.663 ( -9.385 14.293 2.117) 17.229 4.767 ( 9.924 24.066 10.311) 28.000 5.140 ( 10.162 8.317 -5.153) 14.106 5.225 ( 9.178 13.429 3.958) 16.740 5.831 ( -9.022 11.388 -2.804) 14.796 6.240 ( 5.043 7.999 0.284) 9.460 6.418 ( -3.042 15.333 -2.932) 15.904 6.619 ( 1.417 12.110 5.378) 13.326 7.274 ( -10.334 4.616 5.418) 12.549 7.810 ( -2.987 20.933 -5.350) 21.812 8.163 ( 4.675 18.125 -6.481) 19.809 8.616 ( 0.254 26.530 -6.183) 27.242 8.978 ( -0.167 17.154 -12.038) 20.957 9.186 ( -6.443 13.902 -6.373) 16.595 9.629 ( 9.108 4.061 1.923) 10.156 9.888 ( -5.270 0.016 -3.331) 6.234 10.083 ( -1.524 -3.825 -4.952) 6.440 10.505 ( 0.350 -4.967 0.926) 5.064 10.751 ( -0.887 4.258 -9.320) 10.284 11.355 ( 4.663 -15.632 0.146) 16.313 11.534 ( 3.248 22.892 5.453) 23.755 11.771 ( 12.662 -3.588 6.799) 14.813 12.500 ( -0.701 -9.763 -5.676) 11.315 13.018 ( -2.025 -9.217 14.393) 17.211 13.392 ( -7.939 -3.437 -10.434) 13.554 13.808 ( 4.950 -6.376 -9.695) 12.615 14.472 ( -8.183 -31.737 -6.732) 33.460 15.140 ( 4.389 -30.181 8.147) 31.568 15.349 ( 1.231 -22.670 6.930) 23.738 16.673 ( 2.714 23.229 -2.867) 23.562 17.227 ( -6.514 20.860 -14.420) 26.183 19.019 ( 1.619 -2.159 3.763) 4.630 19.140 ( -0.570 -2.626 1.776) 3.221 ======================= Grid point 233 (79/160) ======================= q-point: ( 0.33 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( 16.434 30.284 18.030) 38.888 3.447 ( 17.678 21.853 21.577) 35.434 4.077 ( -20.106 23.677 9.758) 32.558 4.379 ( -18.941 17.135 10.797) 27.730 5.004 ( 11.703 11.512 2.255) 16.570 5.242 ( -0.152 3.367 -1.003) 3.517 5.486 ( 16.595 15.709 2.093) 22.947 5.741 ( -0.358 13.539 -11.439) 17.728 6.208 ( -4.030 12.711 0.506) 13.344 6.483 ( 6.295 11.994 4.630) 14.316 6.578 ( -5.941 11.931 1.578) 13.422 6.964 ( -17.833 12.282 10.141) 23.911 7.852 ( 6.219 26.136 -5.903) 27.506 8.160 ( -5.023 21.630 -8.789) 23.881 8.704 ( 8.403 13.719 -7.848) 17.900 8.958 ( -2.495 0.775 -12.569) 12.837 9.132 ( 2.035 31.114 -8.489) 32.315 9.590 ( -14.048 10.580 -11.238) 20.871 9.869 ( 5.794 -3.467 6.124) 9.115 10.049 ( -2.249 -3.420 2.137) 4.618 10.558 ( 4.197 -1.588 -2.990) 5.392 10.710 ( -2.886 2.038 -8.054) 8.795 11.477 ( 6.981 -12.184 2.647) 14.290 11.618 ( 2.748 14.790 5.274) 15.941 12.059 ( 16.033 -2.970 4.549) 16.928 12.475 ( -2.488 -1.720 -5.737) 6.486 12.977 ( -1.360 -10.534 12.075) 16.082 13.193 ( -11.198 -6.673 -2.579) 13.288 13.929 ( 7.083 -11.741 -9.291) 16.563 14.281 ( -10.199 -25.835 -5.623) 28.339 15.239 ( 5.099 -29.868 4.094) 30.576 15.362 ( -0.388 -25.279 4.119) 25.615 16.755 ( 5.584 23.580 -4.459) 24.639 17.066 ( -9.004 22.412 -10.777) 26.448 19.058 ( 2.043 -2.063 2.875) 4.087 19.123 ( -1.112 -2.274 1.896) 3.163 ======================= Grid point 234 (80/160) ======================= q-point: (-0.50 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( -14.025 25.462 17.067) 33.709 3.580 ( 14.025 25.462 17.067) 33.709 3.971 ( -18.116 20.657 15.566) 31.579 3.971 ( 18.116 20.657 15.566) 31.579 5.182 ( -5.886 3.314 -0.144) 6.756 5.182 ( 5.886 3.314 -0.144) 6.756 5.724 ( -5.088 13.886 -10.648) 18.224 5.724 ( 5.088 13.886 -10.648) 18.224 6.295 ( -14.383 15.590 8.314) 22.783 6.295 ( 14.383 15.590 8.314) 22.783 6.683 ( -10.503 13.740 5.350) 18.103 6.683 ( 10.503 13.740 5.350) 18.103 8.011 ( -8.794 24.803 -7.415) 27.341 8.011 ( 8.794 24.803 -7.415) 27.341 8.869 ( -6.593 6.578 -10.237) 13.840 8.869 ( 6.593 6.578 -10.237) 13.840 9.290 ( -13.348 19.485 -11.443) 26.245 9.290 ( 13.348 19.485 -11.443) 26.245 9.981 ( -4.692 -2.801 5.362) 7.655 9.981 ( 4.692 -2.801 5.362) 7.655 10.642 ( -3.938 0.993 -6.173) 7.389 10.642 ( 3.938 0.993 -6.173) 7.389 11.599 ( -4.356 -2.544 4.852) 7.000 11.599 ( 4.356 -2.544 4.852) 7.000 12.351 ( -11.210 3.393 -1.812) 11.852 12.351 ( 11.210 3.393 -1.812) 11.852 13.009 ( -5.652 -11.202 6.430) 14.099 13.009 ( 5.652 -11.202 6.430) 14.099 14.089 ( -8.964 -18.678 -7.430) 22.009 14.089 ( 8.964 -18.678 -7.430) 22.009 15.325 ( -3.286 -27.958 2.792) 28.288 15.325 ( 3.286 -27.958 2.792) 28.288 16.892 ( -8.084 23.403 -7.202) 25.786 16.892 ( 8.084 23.403 -7.202) 25.786 19.095 ( -1.671 -2.058 2.227) 3.463 19.095 ( 1.671 -2.058 2.227) 3.463 ======================= Grid point 238 (81/160) ======================= q-point: ( 0.00 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( 0.000 35.543 8.956) 36.654 3.686 ( 0.000 31.396 16.603) 35.516 4.952 ( 0.000 8.970 -9.100) 12.778 5.012 ( 0.000 12.980 -1.312) 13.046 5.122 ( 0.000 13.968 2.398) 14.172 5.184 ( 0.000 15.724 5.102) 16.531 5.515 ( 0.000 19.383 10.215) 21.910 6.091 ( 0.000 -2.715 -0.393) 2.743 6.295 ( 0.000 11.526 1.437) 11.615 6.724 ( 0.000 11.013 -3.815) 11.655 6.953 ( 0.000 21.016 12.966) 24.694 7.340 ( 0.000 -4.004 3.365) 5.231 7.959 ( 0.000 4.772 -13.221) 14.056 8.751 ( 0.000 33.494 0.028) 33.494 9.135 ( 0.000 0.146 -3.936) 3.938 9.158 ( 0.000 23.020 4.902) 23.536 9.503 ( 0.000 6.307 -6.606) 9.134 9.653 ( 0.000 11.248 0.437) 11.256 10.079 ( 0.000 2.078 -10.948) 11.144 10.208 ( 0.000 26.999 1.295) 27.030 10.417 ( 0.000 -0.855 1.409) 1.648 10.698 ( 0.000 -8.652 -10.407) 13.533 10.961 ( 0.000 -17.117 -1.134) 17.155 11.581 ( 0.000 0.667 -11.641) 11.660 12.046 ( 0.000 19.957 10.476) 22.539 12.247 ( 0.000 -13.530 6.212) 14.888 12.906 ( 0.000 -2.468 11.931) 12.184 13.399 ( 0.000 -5.708 -12.458) 13.704 13.565 ( 0.000 -17.681 -3.354) 17.996 13.958 ( 0.000 -21.761 -14.155) 25.959 14.537 ( 0.000 -24.701 8.116) 26.000 14.937 ( 0.000 -18.574 5.412) 19.346 17.094 ( 0.000 21.963 -2.576) 22.113 17.650 ( 0.000 15.706 -12.786) 20.252 18.915 ( 0.000 -6.566 4.079) 7.730 19.031 ( 0.000 -8.689 1.667) 8.848 ======================= Grid point 239 (82/160) ======================= q-point: ( 0.17 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.583 ( 6.519 30.745 11.404) 33.434 3.768 ( 7.359 32.019 16.197) 36.629 4.868 ( -14.314 18.833 5.486) 24.284 4.940 ( -6.701 13.278 1.679) 14.968 5.018 ( 2.578 8.069 -7.963) 11.625 5.328 ( 4.065 9.336 1.865) 10.352 5.580 ( 7.541 17.244 10.210) 21.412 6.001 ( -3.440 4.940 -5.535) 8.177 6.394 ( 5.435 8.432 1.189) 10.102 6.683 ( -2.172 10.978 -1.001) 11.235 6.935 ( -2.398 19.378 10.281) 22.067 7.325 ( -2.602 0.830 4.760) 5.488 8.021 ( 6.267 7.125 -12.481) 15.679 8.743 ( -0.948 32.420 -0.325) 32.436 8.936 ( -10.890 4.733 -3.632) 12.417 9.205 ( -1.988 15.892 -3.183) 16.329 9.537 ( 4.545 4.961 -4.567) 8.132 9.779 ( 8.809 15.258 1.277) 17.664 10.053 ( -2.082 2.608 -5.433) 6.376 10.178 ( -5.275 27.784 -6.416) 28.999 10.373 ( -0.383 -5.784 3.408) 6.724 10.711 ( -0.047 -5.409 -8.586) 10.148 11.027 ( 6.742 -16.172 0.214) 17.523 11.696 ( 8.678 -6.143 -7.716) 13.138 11.974 ( -2.665 14.106 6.572) 15.788 12.362 ( 8.811 -3.729 7.182) 11.964 12.879 ( -2.747 -2.026 11.885) 12.366 13.319 ( -8.170 -4.062 -12.163) 15.205 13.582 ( 1.618 -18.527 -3.266) 18.882 13.893 ( -5.607 -22.652 -8.785) 24.934 14.590 ( 4.785 -24.113 3.717) 24.863 14.934 ( -0.520 -19.208 3.749) 19.577 17.122 ( 2.732 21.823 -3.044) 22.203 17.597 ( -4.982 16.544 -11.716) 20.876 18.931 ( 1.474 -6.759 3.657) 7.825 19.029 ( -0.272 -8.540 1.689) 8.709 ======================= Grid point 240 (83/160) ======================= q-point: ( 0.33 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( 14.260 23.716 14.619) 31.297 3.947 ( 9.986 29.289 16.254) 34.954 4.564 ( -14.901 25.109 9.080) 30.577 4.693 ( -16.986 14.960 9.634) 24.599 5.114 ( 5.868 2.664 -6.173) 8.924 5.307 ( -3.466 3.116 1.196) 4.811 5.809 ( 11.866 13.117 -2.337) 17.842 6.001 ( 1.536 10.808 -9.893) 14.732 6.446 ( 2.506 11.810 1.925) 12.225 6.742 ( 7.978 13.029 5.661) 16.293 6.835 ( -7.830 15.716 5.481) 18.394 7.196 ( -10.330 10.639 7.284) 16.521 8.196 ( 10.736 11.310 -10.899) 19.026 8.637 ( -10.147 21.584 -3.109) 24.052 8.848 ( 3.063 7.786 -9.092) 12.356 9.115 ( -6.475 9.646 -6.058) 13.102 9.648 ( 6.175 14.296 -3.979) 16.073 9.924 ( 5.213 14.904 1.893) 15.902 9.980 ( -8.912 15.872 -1.024) 18.232 10.036 ( -3.140 12.143 -7.121) 14.423 10.449 ( 6.389 -5.312 0.667) 8.335 10.675 ( -3.464 -3.661 -6.136) 7.941 11.215 ( 11.571 -13.637 2.385) 18.043 11.678 ( -8.927 -10.200 4.675) 14.338 12.173 ( 19.928 9.653 -4.021) 22.505 12.547 ( 9.377 1.129 6.665) 11.559 12.795 ( -5.932 -1.368 11.529) 13.037 13.072 ( -16.244 -3.208 -9.251) 18.967 13.625 ( 2.632 -19.654 -3.035) 20.061 13.777 ( -5.380 -22.637 -3.749) 23.567 14.705 ( 6.363 -23.261 -1.040) 24.138 14.905 ( -2.659 -20.639 0.397) 20.813 17.201 ( 5.226 21.280 -4.449) 22.359 17.470 ( -7.309 18.377 -9.292) 21.851 18.965 ( 1.838 -7.193 2.848) 7.952 19.019 ( -0.734 -8.162 1.822) 8.395 ======================= Grid point 241 (84/160) ======================= q-point: (-0.50 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.059 ( -6.008 22.082 16.546) 28.240 4.059 ( 6.008 22.082 16.546) 28.240 4.398 ( -5.636 23.419 10.913) 26.444 4.398 ( 5.636 23.419 10.913) 26.444 5.225 ( -4.941 1.165 -1.982) 5.449 5.225 ( 4.941 1.165 -1.982) 5.449 5.972 ( -4.939 9.889 -10.938) 15.551 5.972 ( 4.939 9.889 -10.938) 15.551 6.614 ( -12.594 16.342 5.438) 21.336 6.614 ( 12.594 16.342 5.438) 21.336 6.958 ( -12.285 14.108 7.401) 20.118 6.958 ( 12.285 14.108 7.401) 20.118 8.419 ( -11.307 15.465 -8.587) 20.994 8.419 ( 11.307 15.465 -8.587) 20.994 8.968 ( -7.681 7.204 -8.094) 13.282 8.968 ( 7.681 7.204 -8.094) 13.282 9.790 ( -8.516 21.074 -3.291) 22.966 9.790 ( 8.516 21.074 -3.291) 22.966 9.996 ( -2.372 9.353 -0.524) 9.663 9.996 ( 2.372 9.353 -0.524) 9.663 10.579 ( -6.043 -4.216 -3.068) 7.982 10.579 ( 6.043 -4.216 -3.068) 7.982 11.459 ( -12.292 -11.310 4.272) 17.241 11.459 ( 12.292 -11.310 4.272) 17.241 12.581 ( -17.115 10.798 0.616) 20.246 12.581 ( 17.115 10.798 0.616) 20.246 12.753 ( -11.854 -8.383 2.841) 14.794 12.753 ( 11.854 -8.383 2.841) 14.794 13.688 ( -3.735 -21.056 -2.910) 21.582 13.688 ( 3.735 -21.056 -2.910) 21.582 14.825 ( -5.307 -22.142 -1.835) 22.843 14.825 ( 5.307 -22.142 -1.835) 22.843 17.325 ( -7.025 20.127 -6.654) 22.332 17.325 ( 7.025 20.127 -6.654) 22.332 18.998 ( -1.376 -7.686 2.190) 8.109 18.998 ( 1.376 -7.686 2.190) 8.109 ======================= Grid point 245 (85/160) ======================= q-point: ( 0.00 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.209 ( 0.000 32.969 2.181) 33.041 4.288 ( 0.000 29.233 9.876) 30.856 5.093 ( 0.000 5.540 -10.252) 11.653 5.252 ( 0.000 10.843 0.437) 10.852 5.380 ( 0.000 11.804 1.586) 11.910 5.501 ( 0.000 15.158 8.848) 17.552 5.808 ( 0.000 10.994 7.414) 13.260 6.007 ( 0.000 -5.542 1.156) 5.661 6.461 ( 0.000 5.421 -3.108) 6.249 6.882 ( 0.000 3.687 -0.032) 3.687 7.268 ( 0.000 -1.648 3.783) 4.127 7.297 ( 0.000 11.260 13.116) 17.286 8.128 ( 0.000 13.478 -10.884) 17.324 9.074 ( 0.000 3.570 -7.983) 8.745 9.273 ( 0.000 2.700 -7.315) 7.797 9.551 ( 0.000 16.717 10.089) 19.525 9.703 ( 0.000 23.180 10.269) 25.353 9.779 ( 0.000 1.192 2.230) 2.528 10.160 ( 0.000 4.617 -10.621) 11.581 10.298 ( 0.000 -12.911 9.644) 16.115 10.476 ( 0.000 -1.400 -4.747) 4.949 10.798 ( 0.000 11.060 0.220) 11.062 10.990 ( 0.000 27.498 -16.456) 32.046 11.460 ( 0.000 -9.619 -17.269) 19.768 11.982 ( 0.000 -12.255 9.963) 15.794 12.222 ( 0.000 -5.818 11.866) 13.215 12.888 ( 0.000 -6.859 -1.075) 6.942 13.159 ( 0.000 -16.943 0.303) 16.946 13.274 ( 0.000 -2.385 -0.661) 2.475 13.713 ( 0.000 -6.762 -17.666) 18.916 14.206 ( 0.000 -7.616 4.502) 8.847 14.616 ( 0.000 -13.690 3.131) 14.043 17.500 ( 0.000 19.217 -2.260) 19.349 17.920 ( 0.000 11.942 -9.439) 15.222 18.751 ( 0.000 -9.737 2.527) 10.060 18.811 ( 0.000 -13.406 1.239) 13.463 ======================= Grid point 246 (86/160) ======================= q-point: ( 0.17 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.161 ( -0.609 27.596 6.010) 28.249 4.393 ( 6.790 30.575 9.307) 32.673 5.076 ( -1.492 3.582 -6.984) 7.989 5.186 ( -6.670 11.427 2.041) 13.388 5.290 ( -7.384 16.959 3.881) 18.899 5.502 ( -5.162 8.580 6.219) 11.787 5.818 ( 4.730 5.963 4.056) 8.624 6.035 ( 4.181 0.293 -3.335) 5.356 6.562 ( 7.432 7.829 -2.072) 10.992 6.831 ( -1.820 3.484 1.595) 4.242 7.293 ( -1.891 14.299 10.933) 18.099 7.332 ( 4.783 1.070 4.139) 6.415 8.203 ( 7.484 12.386 -10.236) 17.726 8.989 ( -7.242 4.659 -6.278) 10.657 9.244 ( -2.650 6.369 -7.114) 9.909 9.450 ( -12.239 13.711 0.309) 18.381 9.645 ( 6.049 10.512 7.356) 14.185 9.982 ( 8.263 6.197 3.463) 10.894 10.200 ( 4.222 5.827 -2.380) 7.579 10.293 ( -0.391 -3.432 9.067) 9.703 10.469 ( -0.434 -0.872 -3.220) 3.364 10.855 ( 4.839 8.522 -3.107) 10.281 10.944 ( -3.401 23.497 -12.686) 26.919 11.479 ( 0.816 -10.959 -12.329) 16.516 11.983 ( 1.737 -9.592 5.332) 11.111 12.273 ( 3.983 -11.487 11.958) 17.053 12.885 ( -0.214 -5.960 -1.081) 6.061 13.186 ( 1.997 -16.669 0.521) 16.796 13.252 ( -1.850 0.382 -3.060) 3.596 13.634 ( -7.124 -3.621 -9.988) 12.791 14.247 ( 3.847 -10.155 0.088) 10.860 14.605 ( -1.229 -13.925 1.513) 14.061 17.523 ( 2.247 18.914 -2.623) 19.227 17.883 ( -3.517 12.696 -8.744) 15.812 18.761 ( 0.944 -10.115 2.266) 10.409 18.811 ( 0.029 -13.238 1.221) 13.294 ======================= Grid point 247 (87/160) ======================= q-point: ( 0.33 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.233 ( 7.898 21.115 9.841) 24.598 4.513 ( 3.982 26.509 12.020) 29.378 4.971 ( -11.849 13.317 7.486) 19.334 5.017 ( -7.172 16.138 2.959) 17.906 5.178 ( -1.021 7.941 -1.851) 8.217 5.352 ( -7.253 1.344 2.824) 7.899 5.953 ( 6.769 1.070 -5.852) 9.012 6.126 ( 1.814 2.346 -6.419) 7.071 6.690 ( 8.449 12.716 0.805) 15.289 6.941 ( 11.059 7.997 2.923) 13.957 7.190 ( -8.009 17.347 8.082) 20.745 7.371 ( -2.548 7.102 4.655) 8.866 8.405 ( 12.046 11.243 -8.736) 18.650 8.832 ( -8.264 6.343 -6.697) 12.385 9.178 ( -3.465 9.800 -7.413) 12.767 9.236 ( -8.412 8.787 -2.662) 12.452 9.792 ( 8.109 5.402 -0.220) 9.746 10.045 ( -1.504 3.771 -3.470) 5.340 10.246 ( 0.510 -0.896 9.389) 9.446 10.314 ( 0.260 11.289 16.363) 19.881 10.507 ( 5.862 7.533 -8.256) 12.620 10.803 ( -6.760 16.262 -14.784) 22.994 11.049 ( 10.436 3.103 1.625) 11.009 11.436 ( -5.810 -8.289 -2.447) 10.414 12.100 ( 9.585 -14.954 0.052) 17.763 12.334 ( 1.170 -19.951 10.312) 22.488 12.894 ( 1.706 -1.794 -2.675) 3.644 13.135 ( -6.983 -3.799 -7.898) 11.206 13.279 ( 3.823 -4.177 1.338) 5.818 13.478 ( -7.367 -0.506 1.472) 7.529 14.346 ( 5.798 -13.446 -4.250) 15.247 14.559 ( -3.577 -14.478 -1.870) 15.030 17.587 ( 4.151 17.981 -3.679) 18.817 17.792 ( -5.334 14.479 -7.119) 16.993 18.783 ( 1.106 -10.998 1.775) 11.195 18.810 ( -0.198 -12.744 1.235) 12.805 ======================= Grid point 248 (88/160) ======================= q-point: (-0.50 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.443 ( -10.945 17.341 13.236) 24.407 4.443 ( 10.945 17.341 13.236) 24.407 4.877 ( -4.324 23.645 6.558) 24.916 4.877 ( 4.324 23.645 6.558) 24.916 5.230 ( -4.968 -0.290 -0.692) 5.025 5.230 ( 4.968 -0.290 -0.692) 5.025 6.075 ( -5.350 0.222 -8.496) 10.042 6.075 ( 5.350 0.222 -8.496) 10.042 6.929 ( -12.904 15.464 2.815) 20.336 6.929 ( 12.904 15.464 2.815) 20.336 7.223 ( -10.948 11.930 5.842) 17.214 7.223 ( 10.948 11.930 5.842) 17.214 8.644 ( -11.099 9.486 -7.856) 16.580 8.644 ( 11.099 9.486 -7.856) 16.580 9.142 ( -0.920 7.921 -5.718) 9.812 9.142 ( 0.920 7.921 -5.718) 9.812 9.949 ( -7.184 3.581 -3.682) 8.831 9.949 ( 7.184 3.581 -3.682) 8.831 10.279 ( -2.488 6.614 14.230) 15.888 10.279 ( 2.488 6.614 14.230) 15.888 10.657 ( -7.847 12.349 -10.566) 18.047 10.657 ( 7.847 12.349 -10.566) 18.047 11.266 ( -10.526 -2.725 1.064) 10.925 11.266 ( 10.526 -2.725 1.064) 10.925 12.284 ( -6.695 -23.178 5.140) 24.667 12.284 ( 6.695 -23.178 5.140) 24.667 12.978 ( -7.029 2.492 -7.462) 10.549 12.978 ( 7.029 2.492 -7.462) 10.549 13.362 ( -4.641 -2.280 4.032) 6.557 13.362 ( 4.641 -2.280 4.032) 6.557 14.464 ( -5.729 -14.693 -4.446) 16.386 14.464 ( 5.729 -14.693 -4.446) 16.386 17.683 ( -5.345 16.431 -5.277) 18.067 17.683 ( 5.345 16.431 -5.277) 18.067 18.801 ( -0.687 -11.961 1.402) 12.063 18.801 ( 0.687 -11.961 1.402) 12.063 ======================= Grid point 252 (89/160) ======================= q-point: ( 0.00 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.779 ( 0.000 23.396 -4.630) 23.850 4.821 ( 0.000 24.459 4.829) 24.931 5.159 ( 0.000 0.727 -8.938) 8.968 5.389 ( 0.000 0.702 1.735) 1.871 5.592 ( 0.000 10.748 2.652) 11.071 5.740 ( 0.000 8.511 7.920) 11.627 5.897 ( 0.000 -4.518 3.042) 5.447 5.942 ( 0.000 1.232 7.418) 7.520 6.536 ( 0.000 3.855 -6.521) 7.575 6.837 ( 0.000 -7.146 -0.282) 7.152 7.309 ( 0.000 4.618 8.430) 9.612 7.403 ( 0.000 1.351 12.965) 13.035 8.464 ( 0.000 18.976 -6.973) 20.217 9.115 ( 0.000 -8.086 -5.076) 9.547 9.212 ( 0.000 4.234 -8.825) 9.788 9.651 ( 0.000 -8.231 -4.427) 9.346 9.826 ( 0.000 3.993 10.004) 10.771 10.011 ( 0.000 -6.789 3.346) 7.569 10.248 ( 0.000 6.073 -9.256) 11.071 10.275 ( 0.000 19.671 11.442) 22.757 10.539 ( 0.000 14.111 2.215) 14.283 11.088 ( 0.000 -7.455 -7.704) 10.721 11.257 ( 0.000 27.162 -1.846) 27.225 11.363 ( 0.000 -11.523 -0.066) 11.524 11.866 ( 0.000 -24.092 9.203) 25.790 12.005 ( 0.000 17.942 -5.612) 18.799 12.516 ( 0.000 -25.123 -4.889) 25.594 12.880 ( 0.000 -15.479 -0.487) 15.487 13.389 ( 0.000 9.872 -0.878) 9.911 13.641 ( 0.000 -1.900 -13.862) 13.992 14.191 ( 0.000 3.614 2.973) 4.680 14.403 ( 0.000 -8.022 2.063) 8.283 17.857 ( 0.000 17.232 -1.438) 17.292 18.133 ( 0.000 10.065 -6.277) 11.862 18.518 ( 0.000 -15.908 0.531) 15.917 18.545 ( 0.000 -10.782 -0.061) 10.782 ======================= Grid point 253 (90/160) ======================= q-point: ( 0.17 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.649 ( -5.492 21.207 0.615) 21.916 4.943 ( 5.154 24.534 4.249) 25.428 5.094 ( -4.304 -2.018 -5.753) 7.463 5.357 ( -4.798 5.414 3.290) 7.948 5.526 ( -6.067 5.843 1.581) 8.570 5.670 ( -9.840 3.792 5.392) 11.844 5.821 ( 1.562 1.155 3.886) 4.345 6.060 ( 5.736 0.277 0.628) 5.776 6.685 ( 12.055 4.587 -4.756) 13.748 6.823 ( 2.875 -3.097 0.327) 4.238 7.392 ( 6.585 4.433 7.832) 11.152 7.463 ( 3.348 3.578 10.990) 12.033 8.505 ( 4.582 17.321 -6.625) 19.103 9.117 ( -0.387 -1.677 -3.988) 4.344 9.145 ( -5.572 0.061 -7.980) 9.733 9.582 ( -6.785 -4.760 -4.160) 9.274 9.831 ( 1.189 5.702 6.104) 8.437 10.059 ( 4.065 -5.584 4.006) 7.985 10.161 ( -2.917 5.026 -4.802) 7.538 10.406 ( 5.317 8.194 8.696) 13.078 10.574 ( 4.364 16.734 4.841) 17.959 11.025 ( -5.350 -3.437 -8.277) 10.438 11.294 ( 3.258 25.182 -2.043) 25.474 11.393 ( 2.930 -10.913 -1.127) 11.356 11.867 ( -0.013 -23.676 9.110) 25.369 11.976 ( -2.808 15.528 -4.896) 16.522 12.519 ( 0.583 -25.395 -5.233) 25.935 12.862 ( -2.274 -18.523 -1.640) 18.734 13.416 ( 3.082 12.268 -1.303) 12.717 13.675 ( 2.815 2.700 -10.272) 10.988 14.166 ( -2.021 0.989 1.719) 2.832 14.386 ( -1.907 -8.628 0.746) 8.868 17.873 ( 1.609 16.912 -1.700) 17.073 18.111 ( -2.156 10.795 -5.844) 12.463 18.522 ( 0.397 -15.715 0.449) 15.727 18.547 ( 0.094 -11.323 -0.107) 11.324 ======================= Grid point 254 (91/160) ======================= q-point: ( 0.33 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.616 ( 2.658 17.309 4.775) 18.151 4.949 ( -6.466 17.102 10.124) 20.900 5.045 ( -0.052 -3.770 -0.928) 3.883 5.281 ( 0.210 15.321 0.047) 15.323 5.312 ( -11.140 -2.480 5.333) 12.597 5.535 ( -6.790 17.382 2.425) 18.818 5.871 ( 4.497 -7.968 -3.984) 9.979 6.093 ( -3.073 -5.958 -2.939) 7.320 6.922 ( 14.135 10.089 -0.911) 17.390 7.060 ( 16.138 3.611 0.007) 16.537 7.448 ( -5.338 8.175 7.020) 12.025 7.484 ( 0.606 4.498 5.519) 7.145 8.655 ( 9.957 13.821 -5.156) 17.797 8.996 ( -7.419 9.715 -4.334) 12.969 9.133 ( 1.227 -5.970 -3.885) 7.228 9.401 ( -10.635 -0.542 -4.059) 11.396 9.890 ( 4.621 5.295 0.063) 7.028 10.091 ( -3.391 2.890 -6.645) 8.000 10.174 ( 6.083 -7.737 5.367) 11.210 10.428 ( -2.865 0.141 12.257) 12.588 10.703 ( 7.044 15.785 6.527) 18.476 10.915 ( -5.108 4.123 -5.436) 8.523 11.379 ( 5.126 21.601 -2.836) 22.381 11.462 ( 3.113 -5.889 -2.003) 6.956 11.862 ( -0.544 -19.601 7.725) 21.076 11.906 ( -3.670 4.655 -1.998) 6.255 12.554 ( 3.268 -25.248 -6.240) 26.212 12.779 ( -5.879 -22.617 -4.419) 23.783 13.514 ( 6.359 16.479 -0.408) 17.668 13.711 ( -0.358 13.894 -3.171) 14.256 14.146 ( 1.061 -7.267 -2.287) 7.692 14.322 ( -4.506 -10.173 -1.979) 11.301 17.919 ( 2.874 15.952 -2.449) 16.393 18.054 ( -3.389 12.511 -4.794) 13.820 18.532 ( 0.567 -15.085 0.237) 15.097 18.547 ( -0.098 -12.593 -0.117) 12.594 ======================= Grid point 255 (92/160) ======================= q-point: (-0.50 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.751 ( -10.162 13.867 8.877) 19.348 4.751 ( 10.162 13.867 8.877) 19.348 5.117 ( -7.023 -2.858 2.599) 8.015 5.117 ( 7.023 -2.858 2.599) 8.015 5.386 ( -7.400 18.955 1.511) 20.404 5.386 ( 7.400 18.955 1.511) 20.404 5.986 ( -6.434 -8.884 -5.168) 12.125 5.986 ( 6.434 -8.884 -5.168) 12.125 7.205 ( -10.835 12.024 1.300) 16.238 7.205 ( 10.835 12.024 1.300) 16.238 7.390 ( -8.085 4.279 3.465) 9.782 7.390 ( 8.085 4.279 3.465) 9.782 8.849 ( -8.317 11.559 -3.768) 14.730 8.849 ( 8.317 11.559 -3.768) 14.730 9.208 ( -7.248 -1.883 -3.489) 8.261 9.208 ( 7.248 -1.883 -3.489) 8.261 9.997 ( -5.580 2.982 -4.539) 7.787 9.997 ( 5.580 2.982 -4.539) 7.787 10.316 ( -7.367 -5.082 8.315) 12.216 10.316 ( 7.367 -5.082 8.315) 12.216 10.821 ( -4.877 11.413 2.528) 12.667 10.821 ( 4.877 11.413 2.528) 12.667 11.470 ( -2.864 10.465 -2.743) 11.191 11.470 ( 2.864 10.465 -2.743) 11.191 11.858 ( -0.848 -11.688 3.601) 12.259 11.858 ( 0.848 -11.688 3.601) 12.259 12.651 ( -6.248 -24.372 -6.427) 25.969 12.651 ( 6.248 -24.372 -6.427) 25.969 13.643 ( -5.867 18.886 0.344) 19.779 13.643 ( 5.867 18.886 0.344) 19.779 14.218 ( -5.376 -11.376 -4.014) 13.207 14.218 ( 5.376 -11.376 -4.014) 13.207 17.983 ( -3.545 14.408 -3.555) 15.258 17.983 ( 3.545 14.408 -3.555) 15.258 18.542 ( -0.411 -13.987 0.013) 13.993 18.542 ( 0.411 -13.987 0.013) 13.993 ======================= Grid point 259 (93/160) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.092 ( 0.000 -8.513 -8.166) 11.796 5.092 ( 0.000 8.513 -8.166) 11.796 5.228 ( 0.000 -15.807 1.670) 15.895 5.228 ( 0.000 15.807 1.670) 15.895 5.823 ( 0.000 -9.832 5.551) 11.290 5.823 ( 0.000 9.832 5.551) 11.290 5.843 ( 0.000 -0.933 5.738) 5.813 5.843 ( 0.000 0.933 5.738) 5.813 6.665 ( 0.000 -8.879 -3.804) 9.660 6.665 ( 0.000 8.879 -3.804) 9.660 7.389 ( 0.000 -2.631 12.954) 13.218 7.389 ( 0.000 2.631 12.954) 13.218 8.830 ( 0.000 -17.485 -6.043) 18.500 8.830 ( 0.000 17.485 -6.043) 18.500 9.414 ( 0.000 -13.023 -5.179) 14.015 9.414 ( 0.000 13.023 -5.179) 14.015 9.889 ( 0.000 -4.082 4.014) 5.725 9.889 ( 0.000 4.082 4.014) 5.725 10.406 ( 0.000 -6.492 -8.315) 10.549 10.406 ( 0.000 6.492 -8.315) 10.549 10.919 ( 0.000 -19.811 10.564) 22.452 10.919 ( 0.000 19.811 10.564) 22.452 11.302 ( 0.000 -18.225 5.856) 19.143 11.302 ( 0.000 18.225 5.856) 19.143 11.902 ( 0.000 -26.893 -4.593) 27.283 11.902 ( 0.000 26.893 -4.593) 27.283 12.509 ( 0.000 -21.006 -5.956) 21.834 12.509 ( 0.000 21.006 -5.956) 21.834 13.565 ( 0.000 -6.762 -6.868) 9.638 13.565 ( 0.000 6.762 -6.868) 9.638 14.281 ( 0.000 -5.054 2.238) 5.528 14.281 ( 0.000 5.054 2.238) 5.528 18.187 ( 0.000 -15.886 -0.482) 15.893 18.187 ( 0.000 15.886 -0.482) 15.893 18.339 ( 0.000 -9.501 -3.063) 9.982 18.339 ( 0.000 9.501 -3.063) 9.982 ======================= Grid point 261 (94/160) ======================= q-point: ( 0.17 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.971 ( -6.810 -11.083 -3.601) 13.497 4.971 ( -6.810 11.083 -3.601) 13.497 5.322 ( 3.134 -11.817 2.844) 12.552 5.322 ( 3.134 11.817 2.844) 12.552 5.590 ( -9.829 -3.399 1.813) 10.557 5.590 ( -9.829 3.399 1.813) 10.557 5.981 ( 1.140 -8.244 4.714) 9.565 5.981 ( 1.140 8.244 4.714) 9.565 6.757 ( 10.714 -3.251 -3.851) 11.840 6.757 ( 10.714 3.251 -3.851) 11.840 7.468 ( 5.881 -2.440 11.382) 13.042 7.468 ( 5.881 2.440 11.382) 13.042 8.847 ( 1.910 -16.525 -5.406) 17.492 8.847 ( 1.910 16.525 -5.406) 17.492 9.371 ( -4.255 -13.323 -4.169) 14.594 9.371 ( -4.255 13.323 -4.169) 14.594 9.922 ( 3.190 -5.556 3.763) 7.430 9.922 ( 3.190 5.556 3.763) 7.430 10.360 ( -4.227 -10.741 -7.073) 13.538 10.360 ( -4.227 10.741 -7.073) 13.538 10.974 ( 4.963 -18.909 8.763) 21.424 10.974 ( 4.963 18.909 8.763) 21.424 11.290 ( -1.125 -19.157 6.622) 20.301 11.290 ( -1.125 19.157 6.622) 20.301 11.927 ( 2.582 -26.501 -4.990) 27.090 11.927 ( 2.582 26.501 -4.990) 27.090 12.455 ( -5.196 -21.679 -6.056) 23.101 12.455 ( -5.196 21.679 -6.056) 23.101 13.627 ( 5.985 -7.610 -6.100) 11.443 13.627 ( 5.985 7.610 -6.100) 11.443 14.246 ( -3.593 -5.973 1.552) 7.141 14.246 ( -3.593 5.973 1.552) 7.141 18.197 ( 1.033 -15.596 -0.645) 15.644 18.197 ( 1.033 15.596 -0.645) 15.644 18.329 ( -1.038 -10.132 -2.877) 10.584 18.329 ( -1.038 10.132 -2.877) 10.584 ======================= Grid point 263 (95/160) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.897 ( 0.137 -10.965 0.811) 10.996 4.897 ( 0.137 10.965 0.811) 10.996 5.198 ( -12.031 -8.708 8.309) 17.018 5.198 ( -12.031 8.708 8.309) 17.018 5.586 ( 6.499 -13.487 -3.883) 15.467 5.586 ( 6.499 13.487 -3.883) 15.467 5.902 ( -7.240 -12.326 1.022) 14.331 5.902 ( -7.240 12.326 1.022) 14.331 7.062 ( 17.698 -3.681 -1.883) 18.175 7.062 ( 17.698 3.681 -1.883) 18.175 7.528 ( -1.589 -0.725 6.816) 7.036 7.528 ( -1.589 0.725 6.816) 7.036 8.921 ( 5.929 -12.218 -3.153) 13.942 8.921 ( 5.929 12.218 -3.153) 13.942 9.250 ( -7.750 -11.839 -2.047) 14.297 9.250 ( -7.750 11.839 -2.047) 14.297 10.008 ( 5.333 -7.330 1.679) 9.219 10.008 ( 5.333 7.330 1.679) 9.219 10.254 ( -6.111 -12.334 -4.975) 14.636 10.254 ( -6.111 12.334 -4.975) 14.636 11.090 ( 6.061 -18.519 7.429) 20.854 11.090 ( 6.061 18.519 7.429) 20.854 11.258 ( -2.234 -20.228 7.980) 21.859 11.258 ( -2.234 20.228 7.980) 21.859 12.009 ( 5.671 -25.371 -5.960) 26.672 12.009 ( 5.671 25.371 -5.960) 26.672 12.318 ( -8.173 -22.827 -6.345) 25.062 12.318 ( -8.173 22.827 -6.345) 25.062 13.784 ( 9.246 -8.532 -4.324) 13.304 13.784 ( 9.246 8.532 -4.324) 13.304 14.139 ( -7.040 -7.598 -0.152) 10.359 14.139 ( -7.040 7.598 -0.152) 10.359 18.225 ( 1.737 -14.730 -1.096) 14.872 18.225 ( 1.737 14.730 -1.096) 14.872 18.301 ( -1.739 -11.643 -2.379) 12.010 18.301 ( -1.739 11.643 -2.379) 12.010 ======================= Grid point 265 (96/160) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.983 ( -8.255 -9.592 5.124) 13.653 4.983 ( 8.254 -9.592 5.124) 13.653 4.983 ( -8.254 9.592 5.124) 13.653 4.983 ( 8.255 9.592 5.124) 13.653 5.741 ( -7.797 -15.639 -1.851) 17.573 5.741 ( 6.674 -15.509 -1.851) 16.985 5.741 ( -6.674 15.509 -1.851) 16.985 5.741 ( 7.797 15.639 -1.851) 17.573 7.380 ( -11.989 -4.600 1.588) 12.939 7.380 ( -7.869 -0.839 1.588) 8.072 7.380 ( 7.869 0.839 1.588) 8.072 7.380 ( 11.989 4.600 1.588) 12.939 9.077 ( -8.417 -10.285 -1.253) 13.349 9.077 ( 5.712 -9.809 -1.253) 11.420 9.077 ( -5.712 9.809 -1.253) 11.420 9.077 ( 8.417 10.285 -1.253) 13.349 10.127 ( -6.412 -10.104 -1.974) 12.129 10.127 ( 6.329 -10.091 -1.974) 12.074 10.127 ( -6.329 10.091 -1.974) 12.074 10.127 ( 6.412 10.104 -1.974) 12.129 11.195 ( -3.737 -23.005 8.095) 24.672 11.195 ( 3.524 -22.996 8.095) 24.633 11.195 ( -3.524 22.996 8.095) 24.633 11.195 ( 3.737 23.005 8.095) 24.672 12.150 ( -7.878 -25.419 -6.547) 27.405 12.150 ( 7.568 -25.395 -6.547) 27.296 12.150 ( -7.568 25.395 -6.547) 27.296 12.150 ( 7.878 25.419 -6.547) 27.405 13.974 ( -7.100 -13.942 -2.238) 15.805 13.974 ( 3.029 -13.567 -2.238) 14.080 13.974 ( -3.029 13.567 -2.238) 14.080 13.974 ( 7.100 13.942 -2.238) 15.805 18.263 ( -1.872 -14.164 -1.726) 14.392 18.263 ( 1.841 -14.163 -1.726) 14.387 18.263 ( -1.841 14.163 -1.726) 14.387 18.263 ( 1.872 14.164 -1.726) 14.392 ======================= Grid point 315 (97/160) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 0.000 0.000 37.120) 37.120 2.494 ( 0.000 0.000 38.208) 38.208 3.882 ( 0.000 0.000 27.189) 27.189 4.124 ( 0.000 0.000 -2.824) 2.824 4.542 ( 0.000 0.000 3.429) 3.429 4.696 ( 0.000 0.000 -1.087) 1.087 4.858 ( 0.000 0.000 -3.786) 3.786 4.867 ( 0.000 0.000 -0.812) 0.812 4.912 ( 0.000 0.000 -17.664) 17.664 5.952 ( 0.000 0.000 -14.333) 14.333 6.588 ( 0.000 0.000 21.789) 21.789 6.620 ( 0.000 0.000 5.981) 5.981 7.039 ( 0.000 0.000 -7.165) 7.165 7.647 ( 0.000 0.000 -9.276) 9.276 7.763 ( 0.000 0.000 -16.020) 16.020 7.862 ( 0.000 0.000 -4.502) 4.502 9.421 ( 0.000 0.000 2.596) 2.596 9.471 ( 0.000 0.000 -0.673) 0.673 9.931 ( 0.000 0.000 4.855) 4.855 10.059 ( 0.000 0.000 -5.825) 5.825 10.121 ( 0.000 0.000 -1.009) 1.009 10.294 ( 0.000 0.000 -19.341) 19.341 10.932 ( 0.000 0.000 2.026) 2.026 11.683 ( 0.000 0.000 -31.350) 31.350 12.846 ( 0.000 0.000 1.769) 1.769 12.947 ( 0.000 0.000 -1.268) 1.268 13.133 ( 0.000 0.000 5.349) 5.349 13.214 ( 0.000 0.000 6.176) 6.176 13.985 ( 0.000 0.000 17.240) 17.240 15.126 ( 0.000 0.000 -17.543) 17.543 15.747 ( 0.000 0.000 -1.170) 1.170 15.794 ( 0.000 0.000 -2.449) 2.449 16.616 ( 0.000 0.000 15.151) 15.151 17.102 ( 0.000 0.000 -3.637) 3.637 18.922 ( 0.000 0.000 -0.222) 0.222 18.928 ( 0.000 0.000 -0.388) 0.388 ======================= Grid point 316 (98/160) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 8.421 0.000 37.353) 38.290 2.604 ( 10.699 0.000 35.868) 37.430 3.914 ( -10.169 0.000 9.125) 13.663 4.007 ( -11.568 0.000 4.088) 12.270 4.349 ( 8.964 0.000 24.626) 26.207 4.801 ( -1.260 0.000 -14.400) 14.455 4.895 ( 8.263 0.000 -7.440) 11.119 4.985 ( 2.874 0.000 -13.495) 13.797 5.088 ( 16.861 0.000 -1.796) 16.956 5.973 ( 2.830 0.000 -9.103) 9.533 6.575 ( -1.402 0.000 20.034) 20.083 6.656 ( 3.546 0.000 5.606) 6.634 7.021 ( -1.831 0.000 -5.951) 6.227 7.451 ( -22.702 0.000 2.614) 22.852 7.759 ( 6.985 0.000 -9.914) 12.128 7.918 ( 1.809 0.000 -15.383) 15.489 9.081 ( -16.904 0.000 -5.827) 17.880 9.613 ( -3.408 0.000 -8.432) 9.095 9.944 ( 1.243 0.000 4.406) 4.578 10.098 ( 4.794 0.000 -4.186) 6.364 10.108 ( -1.247 0.000 -0.664) 1.413 10.369 ( 5.569 0.000 -10.494) 11.880 10.965 ( 4.620 0.000 0.627) 4.662 11.640 ( -3.956 0.000 -29.511) 29.775 12.853 ( 0.678 0.000 1.543) 1.685 12.941 ( -0.660 0.000 -1.086) 1.271 13.112 ( 2.689 0.000 10.416) 10.757 13.429 ( 15.756 0.000 1.381) 15.816 13.933 ( -4.808 0.000 15.149) 15.893 15.009 ( -11.251 0.000 -15.882) 19.463 15.755 ( 0.708 0.000 -1.527) 1.683 15.790 ( -0.345 0.000 -2.240) 2.266 16.648 ( 2.993 0.000 12.981) 13.322 17.049 ( -4.854 0.000 -1.751) 5.161 18.922 ( 0.028 0.000 -0.230) 0.232 18.927 ( -0.046 0.000 -0.374) 0.377 ======================= Grid point 317 (99/160) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 14.551 0.000 34.708) 37.635 2.896 ( 18.002 0.000 30.142) 35.109 3.523 ( -22.256 0.000 16.167) 27.508 3.693 ( -19.044 0.000 14.593) 23.992 4.822 ( 26.290 0.000 -1.273) 26.321 4.830 ( 3.633 0.000 -19.368) 19.706 4.992 ( -2.046 0.000 -16.632) 16.758 5.096 ( 10.930 0.000 -8.381) 13.774 5.350 ( 12.660 0.000 10.349) 16.351 6.084 ( 6.540 0.000 6.311) 9.088 6.512 ( -5.786 0.000 17.079) 18.033 6.752 ( 5.725 0.000 3.968) 6.965 6.885 ( -30.764 0.000 12.483) 33.200 6.964 ( -3.917 0.000 -2.870) 4.856 7.927 ( 7.325 0.000 -7.685) 10.617 7.958 ( 3.480 0.000 -17.170) 17.519 8.848 ( -4.700 0.000 -16.600) 17.253 9.348 ( -19.937 0.000 -23.235) 30.616 9.979 ( 2.165 0.000 3.226) 3.885 10.074 ( -2.168 0.000 0.308) 2.190 10.228 ( 7.237 0.000 4.664) 8.610 10.427 ( -0.518 0.000 3.436) 3.475 11.139 ( 11.756 0.000 -10.999) 16.099 11.536 ( -6.615 0.000 -26.261) 27.082 12.871 ( 1.168 0.000 0.942) 1.501 12.922 ( -1.150 0.000 -0.574) 1.286 13.247 ( 10.137 0.000 14.068) 17.340 13.665 ( -1.721 0.000 16.612) 16.701 13.917 ( 12.501 0.000 -6.024) 13.876 14.706 ( -18.533 0.000 -13.140) 22.719 15.769 ( 0.575 0.000 -1.896) 1.981 15.783 ( -0.305 0.000 -1.992) 2.015 16.724 ( 4.399 0.000 8.779) 9.819 16.934 ( -6.091 0.000 1.699) 6.324 18.923 ( 0.056 0.000 -0.256) 0.262 18.926 ( -0.074 0.000 -0.339) 0.347 ======================= Grid point 318 (100/160) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -19.179 0.000 27.089) 33.191 3.108 ( 19.179 0.000 27.089) 33.191 3.289 ( -20.839 0.000 22.944) 30.995 3.289 ( 20.839 0.000 22.944) 30.995 4.919 ( -4.708 0.000 -19.315) 19.881 4.919 ( 4.708 0.000 -19.315) 19.881 5.134 ( -7.051 0.000 -24.274) 25.277 5.134 ( 7.051 0.000 -24.274) 25.277 5.863 ( -31.670 0.000 36.102) 48.025 5.863 ( 31.670 0.000 36.102) 48.025 6.485 ( -9.052 0.000 6.822) 11.335 6.485 ( 9.052 0.000 6.822) 11.335 6.868 ( -5.625 0.000 0.857) 5.690 6.868 ( 5.625 0.000 0.857) 5.690 8.005 ( -1.494 0.000 -10.853) 10.955 8.005 ( 1.494 0.000 -10.853) 10.955 8.960 ( -15.525 0.000 -24.544) 29.042 8.960 ( 15.525 0.000 -24.544) 29.042 10.026 ( -2.507 0.000 1.715) 3.038 10.026 ( 2.507 0.000 1.715) 3.038 10.360 ( -5.608 0.000 7.433) 9.311 10.360 ( 5.608 0.000 7.433) 9.311 11.369 ( -10.353 0.000 -20.883) 23.309 11.369 ( 10.353 0.000 -20.883) 23.309 12.897 ( -1.339 0.000 0.162) 1.348 12.897 ( 1.339 0.000 0.162) 1.348 13.479 ( -12.200 0.000 17.170) 21.062 13.479 ( 12.200 0.000 17.170) 21.062 14.302 ( -21.417 0.000 -11.165) 24.152 14.302 ( 21.417 0.000 -11.165) 24.152 15.777 ( -0.302 0.000 -1.958) 1.982 15.777 ( 0.302 0.000 -1.958) 1.982 16.820 ( -5.312 0.000 5.006) 7.299 16.820 ( 5.312 0.000 5.006) 7.299 18.924 ( -0.076 0.000 -0.295) 0.304 18.924 ( 0.076 0.000 -0.295) 0.304 ======================= Grid point 322 (101/160) ======================= q-point: ( 0.00 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 0.000 8.086 34.007) 34.955 2.668 ( 0.000 16.096 33.355) 37.036 4.109 ( 0.000 22.037 24.091) 32.649 4.219 ( 0.000 8.666 -4.605) 9.814 4.586 ( 0.000 4.508 3.598) 5.767 4.642 ( 0.000 -0.177 1.842) 1.851 4.794 ( 0.000 -4.211 -1.528) 4.479 5.165 ( 0.000 23.978 -13.314) 27.427 5.168 ( 0.000 22.435 -1.961) 22.521 6.011 ( 0.000 5.263 -13.089) 14.108 6.553 ( 0.000 -0.854 16.525) 16.547 6.697 ( 0.000 8.564 3.821) 9.378 7.278 ( 0.000 21.010 -5.320) 21.673 7.686 ( 0.000 2.268 -9.770) 10.029 7.729 ( 0.000 -2.572 -14.507) 14.733 7.937 ( 0.000 9.368 -4.806) 10.529 9.425 ( 0.000 0.521 2.736) 2.785 9.432 ( 0.000 -3.649 -0.016) 3.649 9.949 ( 0.000 -1.203 -5.521) 5.650 10.085 ( 0.000 -3.520 -8.994) 9.659 10.138 ( 0.000 10.469 4.498) 11.394 10.486 ( 0.000 18.131 -10.427) 20.915 10.876 ( 0.000 -5.332 2.455) 5.870 11.653 ( 0.000 -2.877 -27.570) 27.719 12.498 ( 0.000 -28.021 8.551) 29.297 12.698 ( 0.000 -11.183 -2.555) 11.471 13.231 ( 0.000 6.134 6.334) 8.817 13.493 ( 0.000 12.097 -2.375) 12.328 13.916 ( 0.000 -6.976 17.280) 18.635 15.116 ( 0.000 -4.161 -19.046) 19.495 15.858 ( 0.000 10.961 -1.125) 11.018 15.889 ( 0.000 9.762 -1.478) 9.874 16.418 ( 0.000 -18.953 13.187) 23.089 16.841 ( 0.000 -22.000 -3.530) 22.282 18.977 ( 0.000 4.775 1.024) 4.884 19.025 ( 0.000 7.696 -0.517) 7.713 ======================= Grid point 323 (102/160) ======================= q-point: ( 0.17 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 8.904 9.567 33.390) 35.857 2.803 ( 12.410 16.701 32.242) 38.372 4.020 ( -14.960 10.451 6.011) 19.213 4.152 ( -11.118 12.389 2.139) 16.783 4.446 ( 11.472 11.494 24.304) 29.231 4.854 ( 6.631 -0.561 -5.803) 8.830 4.893 ( 7.977 1.221 -6.207) 10.181 5.106 ( 1.835 17.113 -4.145) 17.703 5.333 ( 8.813 21.621 -11.402) 25.984 6.009 ( 0.524 3.263 -7.497) 8.193 6.520 ( -2.448 -0.784 12.725) 12.982 6.770 ( 5.994 9.283 4.884) 12.081 7.239 ( -4.447 19.302 -3.703) 20.151 7.450 ( -19.757 0.202 1.289) 19.800 7.827 ( 7.891 4.395 -14.245) 16.867 7.968 ( 2.333 8.374 -10.122) 13.342 9.062 ( -17.343 -1.724 -5.187) 18.184 9.582 ( -5.328 -2.516 -8.344) 10.215 9.971 ( 4.697 -2.453 -4.046) 6.667 10.092 ( 1.236 6.460 0.077) 6.578 10.202 ( 4.547 3.150 2.543) 6.088 10.499 ( -0.470 15.688 -6.525) 16.997 10.914 ( 5.863 -4.771 -0.349) 7.567 11.616 ( -3.351 -2.173 -25.854) 26.161 12.566 ( 5.858 -24.031 6.286) 25.520 12.721 ( 2.027 -11.362 -1.202) 11.604 13.241 ( 1.485 5.929 7.702) 9.833 13.592 ( 9.336 8.888 -2.260) 13.086 13.866 ( -4.593 -6.776 14.957) 17.050 14.993 ( -11.718 -4.120 -16.861) 20.943 15.871 ( 1.035 11.372 -1.749) 11.552 15.893 ( 0.296 10.267 -1.635) 10.400 16.445 ( 2.520 -19.556 11.241) 22.697 16.797 ( -4.127 -21.639 -2.091) 22.128 18.980 ( 0.279 4.985 0.900) 5.073 19.020 ( -0.460 7.451 -0.339) 7.473 ======================= Grid point 324 (103/160) ======================= q-point: ( 0.33 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 15.522 10.867 30.710) 36.085 3.112 ( 17.833 18.295 28.408) 38.206 3.624 ( -21.465 10.154 15.886) 28.569 3.863 ( -17.308 15.354 11.800) 25.972 4.766 ( 11.974 4.589 -5.540) 13.968 4.954 ( 1.466 0.570 -11.083) 11.194 5.076 ( 12.562 9.914 -16.440) 22.942 5.293 ( 20.582 12.497 21.121) 32.029 5.428 ( -0.635 13.561 -15.851) 20.870 6.063 ( 3.639 -0.178 6.247) 7.232 6.463 ( -3.378 -0.824 10.324) 10.894 6.850 ( -17.045 1.453 4.085) 17.588 6.939 ( -4.989 13.856 11.612) 18.754 7.182 ( -6.394 16.841 -2.530) 18.191 7.999 ( 6.987 4.826 -15.777) 17.917 8.047 ( 6.316 12.124 -7.760) 15.719 8.810 ( -6.089 -3.466 -15.790) 17.275 9.294 ( -20.144 -4.368 -21.560) 29.828 10.075 ( 4.118 4.914 -0.385) 6.423 10.136 ( 2.354 4.857 0.456) 5.417 10.271 ( 2.942 4.567 6.749) 8.664 10.449 ( -3.859 5.525 6.806) 9.578 11.119 ( 12.910 -1.227 -12.374) 17.924 11.525 ( -6.115 -0.753 -23.782) 24.567 12.685 ( 5.240 -17.040 3.886) 18.246 12.758 ( 1.178 -10.902 0.978) 11.009 13.313 ( 6.136 2.908 11.075) 12.990 13.675 ( -7.482 -2.141 17.631) 19.272 13.913 ( 15.628 -0.220 -9.258) 18.166 14.685 ( -18.512 -3.680 -13.540) 23.229 15.890 ( 0.761 11.901 -2.209) 12.129 15.898 ( 0.218 11.295 -1.921) 11.459 16.510 ( 3.869 -20.466 7.312) 22.075 16.698 ( -5.372 -21.134 0.731) 21.818 18.988 ( 0.444 5.509 0.623) 5.561 19.009 ( -0.591 6.863 -0.002) 6.889 ======================= Grid point 325 (104/160) ======================= q-point: (-0.50 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -19.186 10.987 25.099) 33.448 3.215 ( 19.186 10.987 25.099) 33.448 3.490 ( -19.473 18.047 21.102) 33.914 3.490 ( 19.473 18.047 21.102) 33.914 4.910 ( -4.702 2.447 -16.291) 17.132 4.910 ( 4.702 2.447 -16.291) 17.132 5.309 ( -9.578 11.004 -19.773) 24.572 5.309 ( 9.578 11.004 -19.773) 24.572 5.868 ( -28.015 4.086 28.020) 39.833 5.868 ( 28.015 4.086 28.020) 39.833 6.463 ( -7.928 0.182 7.719) 11.066 6.463 ( 7.928 0.182 7.719) 11.066 7.053 ( -6.760 15.563 0.132) 16.968 7.053 ( 6.760 15.563 0.132) 16.968 8.100 ( -2.713 9.855 -9.685) 14.081 8.100 ( 2.713 9.855 -9.685) 14.081 8.906 ( -15.446 -4.735 -23.561) 28.567 8.906 ( 15.446 -4.735 -23.561) 28.567 10.136 ( -2.079 7.677 -1.208) 8.045 10.136 ( 2.079 7.677 -1.208) 8.045 10.357 ( -5.160 1.741 10.799) 12.094 10.357 ( 5.160 1.741 10.799) 12.094 11.361 ( -10.514 -0.227 -20.141) 22.721 11.361 ( 10.514 -0.227 -20.141) 22.721 12.755 ( -1.703 -12.008 2.435) 12.370 12.755 ( 1.703 -12.008 2.435) 12.370 13.482 ( -10.184 -1.336 14.970) 18.155 13.482 ( 10.184 -1.336 14.970) 18.155 14.290 ( -20.458 -2.180 -11.349) 23.497 14.290 ( 20.458 -2.180 -11.349) 23.497 15.899 ( -0.185 11.940 -2.157) 12.135 15.899 ( 0.185 11.940 -2.157) 12.135 16.596 ( -4.771 -20.894 3.725) 21.753 16.596 ( 4.771 -20.894 3.725) 21.753 18.997 ( -0.539 6.172 0.316) 6.204 18.997 ( 0.539 6.172 0.316) 6.204 ======================= Grid point 329 (105/160) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 0.000 17.430 26.858) 32.018 3.065 ( 0.000 23.113 26.067) 34.839 4.433 ( 0.000 12.623 -4.997) 13.576 4.612 ( 0.000 15.732 -13.126) 20.489 4.719 ( 0.000 8.911 4.038) 9.784 4.727 ( 0.000 4.767 -2.980) 5.622 4.769 ( 0.000 16.896 38.069) 41.650 5.647 ( 0.000 24.321 -0.623) 24.329 5.722 ( 0.000 28.058 -6.269) 28.750 6.116 ( 0.000 4.814 -10.789) 11.814 6.612 ( 0.000 7.400 14.536) 16.311 6.996 ( 0.000 21.477 -1.105) 21.505 7.618 ( 0.000 1.831 -15.117) 15.228 7.728 ( 0.000 4.127 -8.567) 9.510 7.863 ( 0.000 27.548 -4.350) 27.889 8.257 ( 0.000 22.202 -8.101) 23.634 9.344 ( 0.000 -4.786 1.303) 4.960 9.452 ( 0.000 2.593 3.402) 4.278 9.892 ( 0.000 -3.349 -7.155) 7.900 9.992 ( 0.000 -5.507 -11.092) 12.384 10.419 ( 0.000 15.212 4.393) 15.833 10.717 ( 0.000 -7.198 1.002) 7.268 10.959 ( 0.000 24.495 -4.277) 24.865 11.586 ( 0.000 -3.387 -16.596) 16.938 11.994 ( 0.000 -21.895 12.516) 25.220 12.479 ( 0.000 -10.120 -9.189) 13.669 13.311 ( 0.000 1.655 5.446) 5.691 13.619 ( 0.000 1.666 -5.362) 5.614 13.713 ( 0.000 -13.395 16.594) 21.326 14.877 ( 0.000 -20.326 -16.732) 26.327 15.901 ( 0.000 -27.921 9.573) 29.516 15.927 ( 0.000 -16.480 5.547) 17.389 16.188 ( 0.000 17.616 -0.843) 17.636 16.605 ( 0.000 9.152 -13.090) 15.972 19.067 ( 0.000 3.397 2.930) 4.486 19.153 ( 0.000 4.218 0.094) 4.220 ======================= Grid point 330 (106/160) ======================= q-point: ( 0.17 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 11.533 19.048 26.660) 34.736 3.187 ( 11.981 21.511 25.160) 35.203 4.289 ( -16.680 15.951 4.749) 23.563 4.410 ( -8.840 13.446 0.538) 16.100 4.771 ( 9.318 2.880 -15.472) 18.290 4.859 ( 8.556 18.400 34.281) 39.837 4.978 ( 10.999 8.901 -4.638) 14.890 5.530 ( -5.762 20.899 2.847) 21.865 5.836 ( 5.262 26.867 -10.994) 29.502 6.086 ( -1.094 4.720 -4.254) 6.448 6.596 ( -1.821 8.289 10.815) 13.747 7.039 ( 3.101 17.474 -2.221) 17.885 7.477 ( -13.629 4.134 -0.940) 14.274 7.662 ( -4.882 18.770 -8.181) 21.049 7.964 ( 8.924 15.707 -10.807) 21.050 8.289 ( 3.279 22.135 -9.296) 24.231 9.030 ( -17.426 -0.817 -3.027) 17.706 9.543 ( -7.927 -0.649 -8.273) 11.476 9.887 ( 6.279 -4.873 -3.179) 8.560 10.090 ( 5.898 -4.739 -5.479) 9.342 10.404 ( -0.219 13.417 6.134) 14.754 10.749 ( -2.025 -5.045 4.071) 6.791 10.970 ( 5.876 22.958 -7.422) 24.833 11.573 ( -0.915 -1.808 -14.562) 14.703 12.127 ( 11.132 -18.818 8.463) 23.445 12.494 ( 1.512 -10.972 -6.350) 12.767 13.302 ( -0.555 0.307 6.442) 6.474 13.664 ( -3.546 -10.307 16.146) 19.481 13.687 ( 5.600 -2.048 -6.477) 8.804 14.773 ( -9.942 -18.497 -14.963) 25.785 15.919 ( 1.511 -25.994 7.270) 27.034 15.946 ( 1.738 -21.255 5.758) 22.089 16.193 ( 0.740 19.211 -1.509) 19.284 16.559 ( -4.410 9.595 -11.817) 15.848 19.074 ( 0.650 3.558 2.633) 4.474 19.146 ( -0.617 4.287 0.284) 4.340 ======================= Grid point 331 (107/160) ======================= q-point: ( 0.33 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 16.056 20.959 25.632) 36.798 3.504 ( 18.387 19.955 22.599) 35.313 3.912 ( -19.110 18.478 15.147) 30.595 4.211 ( -13.014 18.521 7.581) 23.872 4.943 ( 6.465 5.759 -13.641) 16.156 5.027 ( 6.073 9.544 10.315) 15.309 5.185 ( 9.761 7.884 -11.759) 17.197 5.503 ( 2.225 7.372 10.294) 12.856 5.865 ( 2.704 24.383 -6.283) 25.324 6.165 ( 7.056 11.675 1.782) 13.758 6.534 ( -4.191 7.464 7.828) 11.600 6.920 ( -20.258 6.330 3.402) 21.495 7.294 ( 2.216 21.479 4.074) 21.974 7.552 ( -6.284 20.465 -6.986) 22.519 8.182 ( 11.819 14.315 -11.551) 21.864 8.397 ( 7.215 22.330 -9.466) 25.304 8.741 ( -10.197 -2.223 -12.194) 16.050 9.226 ( -20.480 -1.281 -18.787) 27.821 10.044 ( 7.294 -4.216 1.199) 8.510 10.172 ( 1.776 -4.404 -2.537) 5.384 10.432 ( 2.918 11.481 7.968) 14.276 10.635 ( -6.851 6.122 8.068) 12.228 11.184 ( 12.651 11.533 -12.621) 21.268 11.536 ( -3.608 2.662 -15.295) 15.938 12.354 ( 10.385 -14.720 5.751) 18.910 12.528 ( 1.179 -11.864 -0.337) 11.927 13.308 ( 1.791 -3.342 9.072) 9.832 13.541 ( -7.606 -10.790 14.962) 19.954 13.880 ( 12.870 -3.833 -8.901) 16.111 14.510 ( -15.794 -14.440 -12.190) 24.628 15.951 ( 1.624 -23.042 4.990) 23.632 15.978 ( 1.007 -27.460 4.906) 27.913 16.229 ( 3.234 19.730 -3.481) 20.294 16.447 ( -6.386 11.125 -9.071) 15.711 19.091 ( 0.974 3.917 1.977) 4.495 19.131 ( -0.932 4.353 0.729) 4.511 ======================= Grid point 332 (108/160) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -17.615 20.020 22.565) 34.932 3.527 ( 17.615 20.020 22.565) 34.932 3.894 ( -17.991 20.952 16.137) 31.985 3.894 ( 17.991 20.952 16.137) 31.985 5.037 ( -3.340 9.032 -9.246) 13.349 5.037 ( 3.340 9.032 -9.246) 13.349 5.405 ( -11.078 1.107 -5.639) 12.480 5.405 ( 11.078 1.107 -5.639) 12.480 6.129 ( -15.796 18.898 9.088) 26.254 6.129 ( 15.796 18.898 9.088) 26.254 6.540 ( -10.384 8.195 7.268) 15.094 6.540 ( 10.384 8.195 7.268) 15.094 7.414 ( -7.312 21.085 -3.170) 22.541 7.414 ( 7.312 21.085 -3.170) 22.541 8.391 ( -8.574 18.437 -7.300) 21.604 8.391 ( 8.574 18.437 -7.300) 21.604 8.821 ( -17.637 -1.878 -21.326) 27.738 8.821 ( 17.637 -1.878 -21.326) 27.738 10.154 ( -3.484 -4.209 -0.156) 5.466 10.154 ( 3.484 -4.209 -0.156) 5.466 10.513 ( -5.212 9.713 8.894) 14.164 10.513 ( 5.212 9.713 8.894) 14.164 11.409 ( -9.207 6.834 -15.589) 19.352 11.409 ( 9.207 6.834 -15.589) 19.352 12.504 ( -4.282 -12.235 3.895) 13.535 12.504 ( 4.282 -12.235 3.895) 13.535 13.392 ( -6.542 -7.776 12.297) 15.953 13.392 ( 6.542 -7.776 12.297) 15.953 14.180 ( -16.631 -9.334 -10.412) 21.729 14.180 ( 16.631 -9.334 -10.412) 21.729 15.978 ( -0.894 -24.855 4.343) 25.248 15.978 ( 0.894 -24.855 4.343) 25.248 16.322 ( -5.834 14.799 -6.170) 17.062 16.322 ( 5.834 14.799 -6.170) 17.062 19.111 ( -1.025 4.234 1.301) 4.547 19.111 ( 1.025 4.234 1.301) 4.547 ======================= Grid point 336 (109/160) ======================= q-point: ( 0.00 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 0.000 25.031 19.006) 31.429 3.552 ( 0.000 25.804 21.475) 33.571 4.657 ( 0.000 1.388 -9.646) 9.746 4.705 ( 0.000 14.833 -2.687) 15.074 4.929 ( 0.000 11.945 3.688) 12.501 4.960 ( 0.000 15.912 2.221) 16.066 5.301 ( 0.000 25.226 19.417) 31.834 6.070 ( 0.000 4.579 -0.036) 4.579 6.074 ( 0.000 18.317 2.360) 18.468 6.298 ( 0.000 16.608 -10.748) 19.783 6.859 ( 0.000 17.610 16.978) 24.462 7.338 ( 0.000 7.093 -4.147) 8.216 7.624 ( 0.000 1.280 -14.066) 14.124 8.025 ( 0.000 28.611 -7.716) 29.633 8.519 ( 0.000 35.739 -3.812) 35.941 8.758 ( 0.000 26.583 -10.241) 28.488 9.275 ( 0.000 -1.028 2.068) 2.310 9.546 ( 0.000 7.471 4.865) 8.916 9.866 ( 0.000 2.539 -5.117) 5.712 9.882 ( 0.000 -5.292 -11.735) 12.873 10.563 ( 0.000 -7.102 2.575) 7.554 10.631 ( 0.000 4.506 -2.361) 5.087 11.271 ( 0.000 -4.352 -1.721) 4.680 11.526 ( 0.000 -3.762 -4.822) 6.115 11.807 ( 0.000 12.266 11.110) 16.550 12.341 ( 0.000 -2.633 -9.732) 10.082 13.307 ( 0.000 -1.594 2.108) 2.643 13.402 ( 0.000 -17.446 14.167) 22.473 13.594 ( 0.000 -3.723 -6.892) 7.833 14.343 ( 0.000 -32.422 -12.335) 34.689 15.284 ( 0.000 -32.245 7.753) 33.164 15.455 ( 0.000 -25.302 3.499) 25.543 16.606 ( 0.000 22.815 -1.185) 22.846 16.979 ( 0.000 22.065 -14.395) 26.345 19.087 ( 0.000 -1.747 3.834) 4.213 19.172 ( 0.000 -2.382 0.846) 2.528 ======================= Grid point 337 (110/160) ======================= q-point: ( 0.17 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( 12.839 24.405 19.401) 33.717 3.641 ( 8.820 24.393 21.258) 33.537 4.635 ( -13.554 18.806 5.743) 23.882 4.688 ( -4.516 14.596 1.882) 15.394 4.751 ( 7.609 0.817 -8.124) 11.161 5.145 ( 6.810 11.461 1.097) 13.377 5.383 ( 7.044 23.209 11.241) 26.733 5.828 ( -13.192 8.941 3.241) 16.263 6.229 ( 2.696 9.984 -1.413) 10.438 6.301 ( 4.138 19.636 -6.398) 21.063 6.831 ( -3.150 15.454 13.810) 20.964 7.300 ( -5.392 6.338 -3.345) 8.968 7.625 ( 1.313 8.465 -10.748) 13.744 8.054 ( 2.177 27.124 -7.062) 28.112 8.489 ( -2.588 31.751 -4.730) 32.206 8.742 ( -1.652 19.714 -10.298) 22.303 9.097 ( -9.698 11.348 -1.224) 14.978 9.596 ( -8.567 7.276 -8.342) 13.997 9.806 ( 6.556 -2.302 -0.475) 6.965 9.993 ( 4.840 -4.100 -4.505) 7.780 10.546 ( -0.510 -2.580 3.044) 4.023 10.648 ( 0.593 -0.802 -1.107) 1.490 11.324 ( 5.257 -0.910 -1.653) 5.586 11.585 ( 5.194 8.161 -2.330) 9.950 11.915 ( 9.718 -0.125 7.751) 12.431 12.340 ( 0.131 -2.081 -8.563) 8.813 13.269 ( -3.407 -3.221 3.852) 6.068 13.367 ( -3.422 -17.047 12.450) 21.385 13.642 ( 4.489 -4.379 -6.398) 8.959 14.287 ( -5.558 -29.626 -11.152) 32.140 15.288 ( 0.544 -32.905 6.316) 33.511 15.446 ( -0.957 -26.527 2.605) 26.672 16.622 ( 1.585 22.997 -1.773) 23.119 16.941 ( -3.636 22.400 -13.059) 26.183 19.095 ( 0.829 -1.712 3.467) 3.954 19.168 ( -0.407 -2.244 0.962) 2.475 ======================= Grid point 338 (111/160) ======================= q-point: ( 0.33 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( 16.869 24.964 20.310) 36.335 3.890 ( 15.640 19.820 20.067) 32.251 4.322 ( -15.588 22.504 13.537) 30.539 4.565 ( -10.361 17.067 6.887) 21.120 4.958 ( 11.816 -0.060 -5.591) 13.072 5.225 ( 1.323 7.989 0.799) 8.137 5.486 ( 0.626 18.431 -8.756) 20.415 5.615 ( -6.409 5.910 2.669) 9.117 6.255 ( 4.996 15.543 4.598) 16.961 6.472 ( 9.999 16.433 -2.762) 19.433 6.726 ( -7.058 11.949 9.891) 17.042 7.087 ( -15.137 9.517 0.705) 17.894 7.710 ( 6.976 18.306 -6.618) 20.678 8.041 ( -5.236 29.737 -2.559) 30.303 8.490 ( 4.730 10.416 -12.989) 17.309 8.701 ( -2.320 10.643 -11.286) 15.685 8.987 ( -1.461 28.532 -4.907) 28.988 9.318 ( -15.907 13.529 -14.198) 25.252 9.961 ( 6.585 -3.425 2.367) 7.791 10.062 ( 1.784 -5.688 -1.534) 6.155 10.560 ( 1.722 -0.502 3.043) 3.533 10.640 ( -1.329 -1.556 1.005) 2.280 11.466 ( 8.308 4.404 -2.007) 9.615 11.669 ( 1.445 15.512 -1.862) 15.690 12.140 ( 11.748 -9.469 3.757) 15.550 12.354 ( 0.903 -0.431 -4.929) 5.029 13.197 ( -3.007 -7.522 7.005) 10.709 13.275 ( -5.416 -15.701 11.345) 20.113 13.762 ( 7.514 -7.876 -6.766) 12.817 14.133 ( -9.484 -22.816 -8.917) 26.269 15.313 ( 2.036 -33.537 3.182) 33.749 15.415 ( -2.193 -29.374 1.110) 29.476 16.669 ( 3.221 23.336 -3.545) 23.822 16.849 ( -5.191 23.044 -9.902) 25.613 19.116 ( 1.161 -1.663 2.662) 3.346 19.156 ( -0.753 -1.951 1.302) 2.464 ======================= Grid point 339 (112/160) ======================= q-point: (-0.50 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( -14.436 24.216 20.303) 34.743 3.972 ( 14.436 24.216 20.303) 34.743 4.278 ( -16.466 18.030 13.222) 27.767 4.278 ( 16.466 18.030 13.222) 27.767 5.165 ( -7.720 2.741 -0.716) 8.223 5.165 ( 7.720 2.741 -0.716) 8.223 5.512 ( -4.677 10.886 -10.126) 15.586 5.512 ( 4.677 10.886 -10.126) 15.586 6.456 ( -12.176 14.058 6.616) 19.740 6.456 ( 12.176 14.058 6.616) 19.740 6.777 ( -13.840 14.133 3.346) 20.062 6.777 ( 13.840 14.133 3.346) 20.062 7.879 ( -9.389 24.581 -3.897) 26.601 7.879 ( 9.389 24.581 -3.897) 26.601 8.626 ( -6.150 3.940 -14.193) 15.962 8.626 ( 6.150 3.940 -14.193) 15.962 9.052 ( -8.888 27.415 -9.858) 30.459 9.052 ( 8.888 27.415 -9.858) 30.459 10.053 ( -2.652 -5.076 0.828) 5.787 10.053 ( 2.652 -5.076 0.828) 5.787 10.602 ( -2.247 -0.405 2.310) 3.247 10.602 ( 2.247 -0.405 2.310) 3.247 11.618 ( -6.023 10.028 -2.479) 11.957 11.618 ( 6.023 10.028 -2.479) 11.957 12.324 ( -5.391 -3.619 -0.454) 6.509 12.324 ( 5.391 -3.619 -0.454) 6.509 13.186 ( -2.432 -12.811 10.119) 16.506 13.186 ( 2.432 -12.811 10.119) 16.506 13.935 ( -9.765 -14.693 -7.530) 19.182 13.935 ( 9.765 -14.693 -7.530) 19.182 15.363 ( -2.817 -32.245 1.013) 32.384 15.363 ( 2.817 -32.245 1.013) 32.384 16.748 ( -4.686 23.425 -6.402) 24.732 16.748 ( 4.686 23.425 -6.402) 24.732 19.139 ( -1.044 -1.724 1.874) 2.752 19.139 ( 1.044 -1.724 1.874) 2.752 ======================= Grid point 343 (113/160) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 0.000 28.176 11.714) 30.514 4.060 ( 0.000 25.308 17.927) 31.015 4.734 ( 0.000 6.219 -9.683) 11.508 5.008 ( 0.000 15.643 1.065) 15.680 5.167 ( 0.000 11.604 0.844) 11.634 5.320 ( 0.000 19.881 5.637) 20.665 5.676 ( 0.000 13.391 6.068) 14.701 6.084 ( 0.000 -1.274 -0.409) 1.338 6.355 ( 0.000 10.044 5.189) 11.305 6.628 ( 0.000 15.700 -4.902) 16.447 7.244 ( 0.000 18.168 13.064) 22.377 7.348 ( 0.000 -3.034 -3.089) 4.330 7.711 ( 0.000 9.228 -8.361) 12.452 8.593 ( 0.000 21.806 -14.138) 25.988 9.158 ( 0.000 9.239 4.430) 10.246 9.195 ( 0.000 30.240 -0.288) 30.241 9.397 ( 0.000 17.496 -3.946) 17.936 9.739 ( 0.000 8.284 4.488) 9.421 9.825 ( 0.000 4.107 -10.748) 11.505 10.107 ( 0.000 23.566 -8.254) 24.970 10.469 ( 0.000 -1.726 3.481) 3.886 10.605 ( 0.000 -5.241 -0.393) 5.255 10.973 ( 0.000 -18.105 2.192) 18.237 11.375 ( 0.000 -11.797 -8.908) 14.783 12.233 ( 0.000 22.053 7.691) 23.355 12.352 ( 0.000 0.051 3.630) 3.631 13.060 ( 0.000 -15.326 2.008) 15.457 13.280 ( 0.000 -0.838 2.723) 2.849 13.474 ( 0.000 -9.178 -6.289) 11.126 13.685 ( 0.000 -31.205 -11.835) 33.374 14.688 ( 0.000 -26.759 7.029) 27.666 14.993 ( 0.000 -21.337 0.100) 21.338 17.053 ( 0.000 22.043 -1.129) 22.072 17.388 ( 0.000 18.956 -12.280) 22.586 18.995 ( 0.000 -7.493 3.546) 8.289 19.060 ( 0.000 -8.829 1.109) 8.898 ======================= Grid point 344 (114/160) ======================= q-point: ( 0.17 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.838 ( 9.939 25.253 13.196) 30.177 4.134 ( 7.018 25.209 17.857) 31.680 4.799 ( 6.358 4.733 -8.758) 11.812 4.984 ( -4.399 14.964 4.555) 16.249 5.023 ( -8.897 18.781 4.066) 21.176 5.383 ( 2.090 12.621 2.189) 12.979 5.740 ( 5.164 13.232 2.903) 14.498 5.927 ( -11.799 2.080 0.158) 11.982 6.424 ( 4.199 8.610 2.587) 9.923 6.632 ( 1.996 14.467 -3.219) 14.955 7.175 ( -6.232 17.616 10.936) 21.651 7.352 ( -1.174 0.474 -2.925) 3.188 7.797 ( 8.241 10.791 -7.046) 15.298 8.577 ( -0.793 18.924 -14.548) 23.883 8.944 ( -16.742 15.566 3.937) 23.197 9.144 ( -5.740 21.066 -2.929) 22.030 9.445 ( 4.644 17.632 -3.516) 18.569 9.824 ( 0.228 8.584 -13.252) 15.791 9.863 ( 7.544 11.486 4.489) 14.456 10.056 ( -4.328 18.939 -6.038) 20.344 10.458 ( 0.479 -2.895 4.794) 5.620 10.620 ( 0.405 -2.940 -1.211) 3.205 11.073 ( 9.556 -16.262 4.223) 19.329 11.548 ( 15.865 -13.271 -7.177) 21.894 12.114 ( -8.158 11.486 7.160) 15.803 12.467 ( 7.568 11.654 1.883) 14.023 13.032 ( -2.989 -15.153 1.749) 15.544 13.192 ( -7.555 -4.745 1.603) 9.065 13.509 ( 2.780 -10.370 -3.738) 11.369 13.697 ( 0.749 -25.753 -9.319) 27.397 14.681 ( -0.268 -27.212 5.139) 27.695 14.964 ( -2.880 -22.029 -0.799) 22.231 17.069 ( 1.670 21.990 -1.694) 22.118 17.357 ( -2.954 19.381 -11.252) 22.604 19.003 ( 0.773 -7.581 3.218) 8.272 19.059 ( -0.176 -8.720 1.168) 8.799 ======================= Grid point 345 (115/160) ======================= q-point: ( 0.33 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.113 ( 16.845 20.543 15.653) 30.834 4.312 ( 10.146 23.236 18.111) 31.159 4.772 ( -11.671 21.995 10.736) 27.116 4.874 ( -10.556 14.189 6.565) 18.864 4.985 ( 10.355 3.184 -4.253) 11.638 5.348 ( -5.377 4.919 2.212) 7.617 5.745 ( -4.444 7.113 -5.932) 10.273 5.805 ( -0.486 12.151 -7.324) 14.196 6.514 ( 7.234 11.538 4.798) 14.439 6.758 ( 9.046 12.596 -1.786) 15.610 7.015 ( -8.953 16.958 8.842) 21.117 7.260 ( -8.265 7.866 -1.873) 11.563 8.008 ( 12.327 13.000 -5.999) 18.893 8.567 ( -9.776 3.529 -9.642) 14.177 8.637 ( -2.636 27.392 -4.225) 27.841 8.981 ( -10.195 12.774 -7.167) 17.846 9.552 ( 5.879 23.687 -3.596) 24.669 9.791 ( -4.313 29.164 -9.355) 30.930 9.965 ( 2.515 -0.809 -1.919) 3.265 9.997 ( -0.383 10.555 -0.944) 10.604 10.501 ( 3.205 -2.144 4.146) 5.662 10.609 ( -1.454 -1.730 -0.549) 2.326 11.320 ( 14.428 -13.002 7.878) 20.959 11.819 ( -1.710 -16.737 7.994) 18.627 12.049 ( 12.811 10.992 -7.037) 18.289 12.588 ( 2.305 18.397 -5.685) 19.392 12.931 ( -6.313 -18.551 3.406) 19.890 13.036 ( -6.994 -8.772 5.887) 12.670 13.571 ( 3.350 -12.487 -1.899) 13.067 13.692 ( -1.597 -18.058 -4.347) 18.643 14.698 ( 2.392 -27.572 0.552) 27.681 14.883 ( -5.068 -23.888 -2.500) 24.547 17.118 ( 3.172 21.762 -3.333) 22.243 17.281 ( -4.418 20.327 -8.744) 22.564 19.022 ( 1.027 -7.807 2.503) 8.263 19.053 ( -0.443 -8.446 1.382) 8.569 ======================= Grid point 346 (116/160) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.428 ( -8.862 20.270 18.639) 28.928 4.428 ( 8.862 20.270 18.639) 28.928 4.628 ( -7.072 18.623 10.707) 22.616 4.628 ( 7.072 18.623 10.707) 22.616 5.196 ( -9.659 1.399 -0.288) 9.764 5.196 ( 9.659 1.399 -0.288) 9.764 5.746 ( -3.364 10.580 -11.316) 15.852 5.746 ( 3.364 10.580 -11.316) 15.852 6.724 ( -11.774 13.601 5.097) 18.697 6.724 ( 11.774 13.601 5.097) 18.697 7.049 ( -11.459 13.395 0.810) 17.646 7.049 ( 11.459 13.395 0.810) 17.646 8.274 ( -14.416 13.784 -4.672) 20.485 8.274 ( 14.416 13.784 -4.672) 20.485 8.771 ( -10.027 12.727 -10.683) 19.408 8.771 ( 10.027 12.727 -10.683) 19.408 9.675 ( -6.425 29.549 -4.943) 30.641 9.675 ( 6.425 29.549 -4.943) 30.641 9.995 ( -0.821 2.579 -1.960) 3.342 9.995 ( 0.821 2.579 -1.960) 3.342 10.564 ( -2.917 -1.510 1.620) 3.662 10.564 ( 2.917 -1.510 1.620) 3.662 11.609 ( -13.878 -10.295 10.241) 20.086 11.609 ( 13.878 -10.295 10.241) 20.086 12.424 ( -17.579 8.311 -11.750) 22.719 12.424 ( 17.579 8.311 -11.750) 22.719 12.918 ( -4.602 -11.909 8.633) 15.412 12.918 ( 4.602 -11.909 8.633) 15.412 13.639 ( -3.342 -14.217 -1.650) 14.698 13.639 ( 3.342 -14.217 -1.650) 14.698 14.777 ( -5.168 -26.212 -2.667) 26.850 14.777 ( 5.168 -26.212 -2.667) 26.850 17.193 ( -4.266 21.218 -5.834) 22.415 17.193 ( 4.266 21.218 -5.834) 22.415 19.041 ( -0.801 -8.113 1.826) 8.355 19.041 ( 0.801 -8.113 1.826) 8.355 ======================= Grid point 350 (117/160) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.279 ( 0.000 25.794 4.815) 26.239 4.534 ( 0.000 22.514 12.983) 25.989 4.876 ( 0.000 7.285 -9.446) 11.929 5.298 ( 0.000 11.770 4.303) 12.532 5.377 ( 0.000 11.058 -2.972) 11.451 5.699 ( 0.000 16.594 9.543) 19.142 5.879 ( 0.000 9.183 -1.754) 9.349 6.037 ( 0.000 -3.296 1.685) 3.702 6.463 ( 0.000 0.803 4.722) 4.790 6.873 ( 0.000 6.313 -1.067) 6.402 7.306 ( 0.000 1.965 0.019) 1.965 7.487 ( 0.000 7.965 3.162) 8.570 8.024 ( 0.000 20.323 2.850) 20.522 8.856 ( 0.000 8.596 -13.205) 15.756 9.180 ( 0.000 -3.947 -1.167) 4.116 9.532 ( 0.000 3.084 -7.359) 7.979 9.862 ( 0.000 22.331 3.424) 22.592 9.895 ( 0.000 11.142 -3.800) 11.772 10.062 ( 0.000 11.275 10.611) 15.482 10.443 ( 0.000 -3.647 0.852) 3.745 10.446 ( 0.000 -1.626 3.428) 3.794 10.706 ( 0.000 21.226 -9.027) 23.066 10.809 ( 0.000 10.252 1.100) 10.311 11.149 ( 0.000 -4.020 -12.941) 13.552 12.209 ( 0.000 -13.883 12.687) 18.807 12.434 ( 0.000 -8.215 8.711) 11.974 12.800 ( 0.000 -14.278 -6.121) 15.534 13.184 ( 0.000 -12.741 2.198) 12.929 13.297 ( 0.000 2.816 1.516) 3.198 13.325 ( 0.000 -7.279 -20.339) 21.602 14.301 ( 0.000 -11.050 5.179) 12.203 14.629 ( 0.000 -15.254 -1.818) 15.362 17.464 ( 0.000 19.713 -0.961) 19.737 17.724 ( 0.000 15.316 -9.307) 17.922 18.801 ( 0.000 -11.856 2.190) 12.057 18.833 ( 0.000 -13.905 0.926) 13.936 ======================= Grid point 351 (118/160) ======================= q-point: ( 0.17 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.310 ( 4.153 22.087 8.108) 23.892 4.615 ( 7.020 23.113 11.804) 26.885 4.906 ( 3.254 5.299 -8.064) 10.183 5.257 ( -4.153 12.092 5.243) 13.819 5.337 ( -4.120 12.377 -0.541) 13.056 5.647 ( -6.811 13.908 6.884) 16.947 5.920 ( -8.313 -2.642 -0.030) 8.723 5.937 ( 4.731 7.513 -1.012) 8.936 6.553 ( 7.562 4.525 1.934) 9.022 6.845 ( -0.010 5.290 -0.398) 5.305 7.369 ( 4.510 4.605 -0.113) 6.446 7.476 ( -2.633 11.524 4.769) 12.747 8.084 ( 6.500 17.861 0.151) 19.007 8.798 ( -5.326 8.126 -12.178) 15.580 9.149 ( -3.470 0.781 -1.440) 3.837 9.407 ( -11.311 8.445 -4.529) 14.824 9.736 ( -3.395 11.484 1.684) 12.093 9.922 ( 2.173 5.472 -6.935) 9.097 10.285 ( 8.550 23.915 5.176) 25.919 10.370 ( 2.819 -4.626 5.383) 7.637 10.579 ( 5.857 3.261 5.456) 8.644 10.619 ( -6.197 19.913 -8.404) 22.484 10.916 ( 8.126 7.842 2.260) 11.517 11.243 ( 9.492 -11.793 -10.304) 18.313 12.130 ( -5.700 -9.102 9.362) 14.247 12.485 ( 3.118 -15.965 8.609) 18.405 12.802 ( 0.206 -13.400 -5.932) 14.656 13.117 ( -10.100 -2.932 -11.363) 15.483 13.232 ( 4.320 -6.947 2.744) 8.628 13.461 ( 5.909 -2.056 -5.010) 8.016 14.282 ( -1.476 -12.054 3.252) 12.572 14.593 ( -3.553 -15.322 -2.698) 15.959 17.479 ( 1.416 19.536 -1.413) 19.638 17.702 ( -2.127 15.770 -8.578) 18.078 18.806 ( 0.504 -12.053 1.980) 12.225 18.834 ( 0.019 -13.806 0.923) 13.837 ======================= Grid point 352 (119/160) ======================= q-point: ( 0.33 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.469 ( 11.811 16.115 12.513) 23.574 4.767 ( 7.223 21.809 12.459) 26.134 5.007 ( 5.906 3.380 -3.609) 7.703 5.129 ( -8.722 9.985 8.216) 15.597 5.205 ( -8.248 17.618 3.679) 19.798 5.436 ( -11.856 4.575 4.973) 13.647 5.827 ( -0.415 0.543 -6.994) 7.028 5.974 ( -2.568 4.940 -7.950) 9.705 6.733 ( 11.681 10.814 3.393) 16.276 6.962 ( 9.968 7.762 -0.505) 12.643 7.347 ( -8.669 15.464 6.108) 18.751 7.413 ( -2.153 8.134 -0.729) 8.446 8.272 ( 11.467 14.850 -3.347) 19.058 8.671 ( -7.210 7.995 -8.901) 13.969 9.054 ( -4.600 10.846 -3.886) 12.406 9.178 ( -10.151 9.354 -3.342) 14.202 9.757 ( 4.432 3.871 -1.737) 6.136 9.945 ( -1.029 -0.068 -5.456) 5.553 10.293 ( 0.561 15.034 -4.565) 15.722 10.482 ( -6.466 20.836 -8.027) 23.246 10.561 ( 7.254 11.743 12.106) 18.360 10.652 ( 1.567 11.292 6.009) 12.887 11.115 ( 12.052 -2.427 5.319) 13.395 11.438 ( 5.087 -17.770 2.716) 18.682 12.084 ( 4.332 -7.977 -0.514) 9.092 12.495 ( -3.592 -24.287 4.772) 25.011 12.806 ( 0.256 -10.927 -5.588) 12.275 12.921 ( -8.482 -0.022 -11.896) 14.610 13.346 ( 6.544 -2.419 4.925) 8.540 13.526 ( 0.126 0.769 2.494) 2.613 14.276 ( 1.808 -14.550 -2.020) 14.800 14.493 ( -6.280 -15.566 -4.576) 17.398 17.519 ( 2.594 18.986 -2.701) 19.352 17.646 ( -3.288 16.861 -6.769) 18.464 18.818 ( 0.621 -12.531 1.538) 12.640 18.833 ( -0.105 -13.519 0.966) 13.554 ======================= Grid point 353 (120/160) ======================= q-point: (-0.50 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.744 ( -13.172 12.800 15.596) 24.095 4.744 ( 13.172 12.800 15.596) 24.095 5.015 ( -4.900 18.876 6.419) 20.531 5.015 ( 4.900 18.876 6.419) 20.531 5.226 ( -9.282 1.744 0.517) 9.459 5.226 ( 9.282 1.744 0.517) 9.459 5.880 ( -4.987 2.567 -10.600) 11.992 5.880 ( 4.987 2.567 -10.600) 11.992 6.992 ( -11.169 13.416 3.253) 17.757 6.992 ( 11.169 13.416 3.253) 17.757 7.299 ( -7.108 11.202 1.013) 13.306 7.299 ( 7.108 11.202 1.013) 13.306 8.498 ( -10.451 11.830 -5.670) 16.773 8.498 ( 10.451 11.830 -5.670) 16.773 9.036 ( -3.502 11.031 -4.686) 12.486 9.036 ( 3.502 11.031 -4.686) 12.486 9.869 ( -5.811 0.582 -3.000) 6.565 9.869 ( 5.811 0.582 -3.000) 6.565 10.357 ( -5.371 16.437 -6.989) 18.652 10.357 ( 5.371 16.437 -6.989) 18.652 10.648 ( -1.959 14.843 8.446) 17.190 10.648 ( 1.959 14.843 8.446) 17.190 11.358 ( -10.626 -10.924 8.897) 17.646 11.358 ( 10.626 -10.924 8.897) 17.646 12.307 ( -13.944 -18.167 -3.568) 23.178 12.307 ( 13.944 -18.167 -3.568) 23.178 12.822 ( -1.930 -5.914 -6.800) 9.217 12.822 ( 1.930 -5.914 -6.800) 9.217 13.469 ( -5.258 1.082 6.062) 8.097 13.469 ( 5.258 1.082 6.062) 8.097 14.362 ( -6.228 -15.755 -5.332) 17.760 14.362 ( 6.228 -15.755 -5.332) 17.760 17.579 ( -3.324 18.055 -4.612) 18.929 17.579 ( 3.324 18.055 -4.612) 18.929 18.828 ( -0.389 -13.071 1.159) 13.128 18.828 ( 0.389 -13.071 1.159) 13.128 ======================= Grid point 357 (121/160) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.714 ( 0.000 17.536 -1.368) 17.589 4.939 ( 0.000 17.848 4.812) 18.485 4.984 ( 0.000 3.372 -5.974) 6.860 5.392 ( 0.000 -1.449 -2.195) 2.630 5.653 ( 0.000 15.183 3.653) 15.616 5.881 ( 0.000 3.377 5.058) 6.082 5.974 ( 0.000 -2.229 4.553) 5.069 6.090 ( 0.000 7.180 4.945) 8.718 6.427 ( 0.000 -0.477 -1.946) 2.003 6.816 ( 0.000 -9.527 -2.464) 9.841 7.470 ( 0.000 11.241 7.338) 13.424 7.616 ( 0.000 4.793 7.256) 8.696 8.427 ( 0.000 19.732 3.238) 19.996 9.011 ( 0.000 0.580 -8.704) 8.723 9.065 ( 0.000 0.096 -1.822) 1.825 9.501 ( 0.000 -5.535 -10.317) 11.708 9.939 ( 0.000 -7.032 2.623) 7.505 10.032 ( 0.000 -3.371 -0.652) 3.433 10.091 ( 0.000 1.826 -4.989) 5.313 10.383 ( 0.000 -9.294 -3.927) 10.089 10.692 ( 0.000 24.470 11.010) 26.833 10.957 ( 0.000 18.951 -0.210) 18.952 11.240 ( 0.000 27.331 0.272) 27.332 11.404 ( 0.000 10.691 0.142) 10.691 11.966 ( 0.000 -3.104 3.262) 4.503 12.022 ( 0.000 -26.480 6.004) 27.152 12.411 ( 0.000 -23.855 -4.793) 24.332 12.835 ( 0.000 -23.041 -5.756) 23.750 13.387 ( 0.000 5.601 0.205) 5.605 13.396 ( 0.000 7.577 -8.354) 11.279 14.228 ( 0.000 1.298 1.086) 1.693 14.399 ( 0.000 -8.250 -2.272) 8.557 17.834 ( 0.000 18.056 -0.589) 18.065 18.004 ( 0.000 13.495 -6.092) 14.807 18.528 ( 0.000 -16.720 0.459) 16.726 18.544 ( 0.000 -13.750 -0.073) 13.750 ======================= Grid point 358 (122/160) ======================= q-point: ( 0.17 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.688 ( -0.462 15.736 3.008) 16.028 4.974 ( 0.142 0.811 -5.461) 5.523 5.030 ( 6.970 18.626 4.337) 20.355 5.413 ( 0.727 2.357 -0.862) 2.613 5.534 ( -8.293 8.621 2.898) 12.308 5.801 ( -11.896 -4.455 6.085) 14.085 5.922 ( -6.662 8.479 4.463) 11.670 6.050 ( 0.869 3.617 -1.231) 3.918 6.614 ( 14.663 2.546 -1.439) 14.952 6.821 ( 4.166 -5.775 -1.202) 7.222 7.536 ( 4.792 10.095 6.339) 12.847 7.650 ( 1.074 5.757 6.749) 8.935 8.458 ( 3.936 19.177 2.025) 19.681 8.974 ( -3.796 7.617 -9.200) 12.533 9.065 ( 0.494 -4.741 -0.394) 4.783 9.455 ( -4.927 -3.662 -8.509) 10.492 9.889 ( -2.633 1.461 0.303) 3.026 9.989 ( -4.233 5.791 -6.734) 9.839 10.133 ( 5.577 -12.623 2.548) 14.034 10.527 ( 8.244 -16.370 -3.545) 18.668 10.743 ( 5.210 23.178 10.477) 25.964 10.944 ( 0.062 21.810 3.873) 22.151 11.260 ( 2.106 24.655 -0.550) 24.751 11.392 ( -0.658 11.739 -0.899) 11.792 11.935 ( -2.790 -2.746 2.187) 4.484 12.021 ( -0.358 -26.474 5.843) 27.113 12.410 ( 0.074 -24.191 -4.958) 24.694 12.781 ( -5.307 -23.410 -7.563) 25.167 13.393 ( 3.936 10.699 -0.977) 11.442 13.513 ( 7.690 4.518 -4.506) 9.993 14.187 ( -3.849 0.459 0.605) 3.923 14.362 ( -3.678 -8.432 -2.900) 9.645 17.844 ( 1.017 17.848 -0.908) 17.900 17.991 ( -1.285 13.938 -5.640) 15.090 18.530 ( 0.235 -16.601 0.378) 16.607 18.545 ( 0.039 -14.049 -0.101) 14.049 ======================= Grid point 359 (123/160) ======================= q-point: ( 0.33 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.750 ( 7.153 12.222 8.026) 16.278 5.020 ( 4.893 -0.893 -0.078) 4.975 5.161 ( 2.607 16.580 7.119) 18.231 5.303 ( -7.032 7.736 4.232) 11.279 5.407 ( -8.571 2.395 2.241) 9.177 5.572 ( -8.814 6.804 2.423) 11.395 5.784 ( -2.719 -2.121 -4.687) 5.819 5.996 ( -6.800 -2.660 -6.464) 9.752 6.927 ( 17.090 8.303 1.309) 19.046 7.057 ( 16.342 2.007 -0.514) 16.473 7.568 ( -5.104 7.070 3.844) 9.530 7.587 ( -5.770 7.787 4.986) 10.899 8.598 ( 9.430 17.347 -0.294) 19.747 8.887 ( -4.481 13.080 -6.143) 15.130 9.085 ( 1.567 -3.630 -0.695) 4.014 9.310 ( -8.860 0.578 -5.034) 10.207 9.867 ( 0.731 8.325 -2.343) 8.680 9.944 ( -1.259 1.077 -5.882) 6.111 10.241 ( 5.690 -12.079 2.625) 13.607 10.542 ( -6.148 -13.632 -3.238) 15.300 10.886 ( 7.991 17.763 10.625) 22.187 11.005 ( 3.900 19.402 12.738) 23.535 11.329 ( 4.549 19.337 -1.246) 19.904 11.399 ( 1.515 11.876 -3.707) 12.533 11.880 ( -1.608 -5.873 0.138) 6.091 11.995 ( -2.589 -24.977 4.671) 25.542 12.425 ( 1.807 -24.472 -5.942) 25.247 12.641 ( -8.015 -23.113 -9.305) 26.173 13.521 ( 7.915 12.811 1.290) 15.114 13.658 ( 5.441 8.657 -1.795) 10.381 14.104 ( -3.140 -4.104 -1.656) 5.426 14.258 ( -6.610 -9.083 -4.245) 12.009 17.873 ( 1.795 17.225 -1.802) 17.412 17.956 ( -2.061 15.011 -4.496) 15.805 18.536 ( 0.332 -16.224 0.182) 16.229 18.545 ( -0.054 -14.772 -0.112) 14.773 ======================= Grid point 360 (124/160) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.960 ( -12.988 9.374 11.391) 19.655 4.960 ( 12.988 9.374 11.391) 19.655 5.186 ( -9.986 -1.209 4.135) 10.875 5.186 ( 9.986 -1.209 4.135) 10.875 5.401 ( -8.690 15.165 -0.257) 17.480 5.401 ( 8.690 15.165 -0.257) 17.480 5.846 ( -6.923 -5.766 -8.613) 12.464 5.846 ( 6.923 -5.766 -8.613) 12.464 7.240 ( -9.138 11.343 2.073) 14.712 7.240 ( 9.138 11.343 2.073) 14.712 7.448 ( -6.004 3.131 1.860) 7.022 7.448 ( 6.004 3.131 1.860) 7.022 8.778 ( -7.405 15.843 -2.766) 17.706 8.778 ( 7.405 15.843 -2.766) 17.706 9.151 ( -5.896 0.525 -2.170) 6.305 9.151 ( 5.896 0.525 -2.170) 6.305 9.906 ( -2.545 4.549 -3.820) 6.462 9.906 ( 2.545 4.549 -3.820) 6.462 10.380 ( -8.371 -11.003 -0.660) 13.841 10.380 ( 8.371 -11.003 -0.660) 13.841 11.010 ( -3.541 17.002 13.428) 21.952 11.010 ( 3.541 17.002 13.428) 21.952 11.405 ( -2.275 15.460 -2.506) 15.827 11.405 ( 2.275 15.460 -2.506) 15.827 11.915 ( -4.596 -17.975 1.293) 18.599 11.915 ( 4.596 -17.975 1.293) 18.599 12.497 ( -5.720 -23.665 -8.248) 25.706 12.497 ( 5.720 -23.665 -8.248) 25.706 13.663 ( -4.968 14.087 1.716) 15.036 13.663 ( 4.968 14.087 1.716) 15.036 14.126 ( -5.383 -9.688 -4.811) 12.082 14.126 ( 5.383 -9.688 -4.811) 12.082 17.913 ( -2.188 16.227 -3.090) 16.663 17.913 ( 2.188 16.227 -3.090) 16.663 18.542 ( -0.235 -15.582 -0.013) 15.584 18.542 ( 0.235 -15.582 -0.013) 15.584 ======================= Grid point 364 (125/160) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.950 ( 0.000 -6.391 -5.400) 8.367 4.950 ( 0.000 6.391 -5.400) 8.367 5.252 ( 0.000 -12.193 0.401) 12.199 5.252 ( 0.000 12.193 0.401) 12.199 5.889 ( 0.000 -4.146 1.410) 4.379 5.889 ( 0.000 4.146 1.410) 4.379 6.009 ( 0.000 -8.630 9.818) 13.072 6.009 ( 0.000 8.630 9.818) 13.072 6.584 ( 0.000 -12.658 -4.496) 13.433 6.584 ( 0.000 12.658 -4.496) 13.433 7.633 ( 0.000 -3.884 10.522) 11.216 7.633 ( 0.000 3.884 10.522) 11.216 8.782 ( 0.000 -15.818 1.129) 15.858 8.782 ( 0.000 15.818 1.129) 15.858 9.289 ( 0.000 -13.909 -6.951) 15.549 9.289 ( 0.000 13.909 -6.951) 15.549 9.916 ( 0.000 -5.203 -0.860) 5.274 9.916 ( 0.000 5.203 -0.860) 5.274 10.186 ( 0.000 -7.671 -11.196) 13.572 10.186 ( 0.000 7.671 -11.196) 13.572 11.165 ( 0.000 -19.168 12.070) 22.652 11.165 ( 0.000 19.168 12.070) 22.652 11.480 ( 0.000 -22.466 10.353) 24.737 11.480 ( 0.000 22.466 10.353) 24.737 11.813 ( 0.000 -25.276 -3.333) 25.495 11.813 ( 0.000 25.276 -3.333) 25.495 12.349 ( 0.000 -23.494 -9.893) 25.492 12.349 ( 0.000 23.494 -9.893) 25.492 13.467 ( 0.000 -1.050 -2.701) 2.898 13.467 ( 0.000 1.050 -2.701) 2.898 14.285 ( 0.000 -3.995 -1.512) 4.272 14.285 ( 0.000 3.995 -1.512) 4.272 18.179 ( 0.000 -15.671 -0.143) 15.672 18.179 ( 0.000 15.671 -0.143) 15.672 18.277 ( 0.000 -11.718 -2.879) 12.067 18.277 ( 0.000 11.718 -2.879) 12.067 ======================= Grid point 366 (126/160) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.915 ( -1.657 -7.165 -1.715) 7.552 4.915 ( -1.657 7.165 -1.715) 7.552 5.327 ( 6.310 -10.705 -1.889) 12.569 5.327 ( 6.310 10.705 -1.889) 12.569 5.682 ( -13.649 -6.517 6.270) 16.373 5.682 ( -13.649 6.517 6.270) 16.373 6.053 ( -3.879 -3.586 2.328) 5.773 6.053 ( -3.879 3.586 2.328) 5.773 6.694 ( 12.896 -5.858 -2.474) 14.379 6.694 ( 12.896 5.858 -2.474) 14.379 7.679 ( 2.642 -3.217 9.012) 9.927 7.679 ( 2.642 3.217 9.012) 9.927 8.805 ( 2.627 -15.126 1.033) 15.387 8.805 ( 2.627 15.126 1.033) 15.387 9.263 ( -2.638 -13.871 -6.256) 15.444 9.263 ( -2.638 13.871 -6.256) 15.444 9.939 ( 2.160 -6.165 -1.604) 6.726 9.939 ( 2.160 6.165 -1.604) 6.726 10.195 ( 0.526 -14.045 -7.808) 16.078 10.195 ( 0.526 14.045 -7.808) 16.078 11.174 ( 1.454 -16.816 10.153) 19.697 11.174 ( 1.454 16.816 10.153) 19.697 11.480 ( -0.168 -21.590 10.842) 24.160 11.480 ( -0.168 21.590 10.842) 24.160 11.828 ( 1.576 -24.218 -4.131) 24.618 11.828 ( 1.576 24.218 -4.131) 24.618 12.296 ( -5.039 -22.822 -9.552) 25.248 12.296 ( -5.039 22.822 -9.552) 25.248 13.538 ( 6.783 -3.211 -2.596) 7.941 13.538 ( 6.783 3.211 -2.596) 7.941 14.240 ( -4.421 -4.400 -1.715) 6.468 14.240 ( -4.421 4.400 -1.715) 6.468 18.186 ( 0.682 -15.523 -0.322) 15.542 18.186 ( 0.682 15.523 -0.322) 15.542 18.270 ( -0.658 -12.129 -2.694) 12.442 18.270 ( -0.658 12.129 -2.694) 12.442 ======================= Grid point 368 (127/160) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.941 ( 4.912 -6.954 3.375) 9.158 4.941 ( 4.912 6.954 3.375) 9.158 5.380 ( -13.020 -4.492 8.907) 16.403 5.380 ( -13.020 4.492 8.907) 16.403 5.490 ( 6.638 -11.050 -4.869) 13.780 5.490 ( 6.638 11.050 -4.869) 13.780 5.883 ( -10.826 -8.063 -3.149) 13.861 5.883 ( -10.826 8.063 -3.149) 13.861 7.044 ( 19.926 -3.374 -0.089) 20.210 7.044 ( 19.926 3.374 -0.089) 20.210 7.652 ( -6.588 -0.938 5.248) 8.475 7.652 ( -6.588 0.938 5.248) 8.475 8.900 ( 6.905 -11.872 0.859) 13.761 8.900 ( 6.905 11.872 0.859) 13.761 9.185 ( -5.235 -11.864 -4.022) 13.576 9.185 ( -5.235 11.864 -4.022) 13.576 9.998 ( 3.816 -6.523 -2.278) 7.893 9.998 ( 3.816 6.523 -2.278) 7.893 10.178 ( -2.841 -16.836 -2.430) 17.246 10.178 ( -2.841 16.836 -2.430) 17.246 11.245 ( 5.790 -14.913 7.752) 17.777 11.245 ( 5.790 14.913 7.752) 17.777 11.459 ( -2.391 -19.300 10.905) 22.296 11.459 ( -2.391 19.300 10.905) 22.296 11.884 ( 4.284 -21.747 -5.900) 22.937 11.884 ( 4.284 21.747 -5.900) 22.937 12.163 ( -7.975 -21.331 -8.764) 24.401 12.163 ( -7.975 21.331 -8.764) 24.401 13.714 ( 10.283 -4.791 -2.452) 11.606 13.714 ( 10.283 4.791 -2.452) 11.606 14.113 ( -8.203 -5.117 -2.113) 9.897 14.113 ( -8.203 5.118 -2.113) 9.897 18.205 ( 1.120 -15.051 -0.816) 15.115 18.205 ( 1.120 15.051 -0.816) 15.115 18.253 ( -1.094 -13.123 -2.187) 13.349 18.253 ( -1.094 13.123 -2.187) 13.349 ======================= Grid point 370 (128/160) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.112 ( -11.814 -5.847 7.375) 15.104 5.112 ( -1.872 -0.414 7.375) 7.620 5.112 ( 1.872 0.414 7.375) 7.620 5.112 ( 11.814 5.847 7.375) 15.104 5.670 ( -9.322 -11.449 -5.139) 15.633 5.670 ( 5.798 -10.852 -5.139) 13.334 5.670 ( -5.798 10.852 -5.139) 13.334 5.670 ( 9.322 11.449 -5.139) 15.633 7.416 ( -14.730 -4.710 1.864) 15.577 7.416 ( -11.813 -1.679 1.864) 12.077 7.416 ( 11.813 1.679 1.864) 12.077 7.416 ( 14.730 4.710 1.864) 15.577 9.054 ( -7.368 -10.275 -0.926) 12.677 9.054 ( 6.084 -10.062 -0.926) 11.795 9.054 ( -6.084 10.062 -0.926) 11.795 9.054 ( 7.368 10.275 -0.926) 12.677 10.090 ( -4.511 -14.087 -1.485) 14.866 10.090 ( 3.850 -14.038 -1.485) 14.632 10.090 ( -3.850 14.038 -1.485) 14.632 10.090 ( 4.511 14.087 -1.485) 14.866 11.374 ( -5.606 -18.442 9.033) 21.287 11.374 ( 5.220 -18.413 9.033) 21.164 11.374 ( -5.220 18.413 9.033) 21.164 11.374 ( 5.606 18.442 9.033) 21.287 12.002 ( -6.660 -23.887 -7.601) 25.936 12.002 ( 5.988 -23.842 -7.601) 25.731 12.002 ( -5.988 23.842 -7.601) 25.731 12.002 ( 6.660 23.887 -7.601) 25.936 13.925 ( -7.504 -11.041 -2.361) 13.557 13.925 ( 0.129 -10.384 -2.361) 10.649 13.925 ( -0.129 10.384 -2.361) 10.649 13.925 ( 7.504 11.041 -2.361) 13.557 18.229 ( -1.119 -15.984 -1.498) 16.093 18.229 ( 1.099 -15.984 -1.498) 16.092 18.229 ( -1.099 15.984 -1.498) 16.092 18.229 ( 1.119 15.984 -1.498) 16.093 ======================= Grid point 420 (129/160) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 0.000 0.000 33.414) 33.414 3.233 ( 0.000 0.000 34.159) 34.159 3.778 ( 0.000 0.000 -24.448) 24.448 3.845 ( 0.000 0.000 -24.434) 24.434 4.611 ( 0.000 0.000 2.392) 2.392 4.644 ( 0.000 0.000 -1.858) 1.858 4.727 ( 0.000 0.000 -0.884) 0.884 4.776 ( 0.000 0.000 -3.971) 3.971 5.294 ( 0.000 0.000 26.527) 26.527 5.681 ( 0.000 0.000 -13.461) 13.461 6.747 ( 0.000 0.000 6.639) 6.639 6.890 ( 0.000 0.000 -7.345) 7.345 7.090 ( 0.000 0.000 26.516) 26.516 7.460 ( 0.000 0.000 -7.689) 7.689 7.489 ( 0.000 0.000 -8.110) 8.110 7.613 ( 0.000 0.000 -19.140) 19.140 9.488 ( 0.000 0.000 3.648) 3.648 9.514 ( 0.000 0.000 2.330) 2.330 9.915 ( 0.000 0.000 -4.901) 4.901 9.983 ( 0.000 0.000 -10.829) 10.829 10.022 ( 0.000 0.000 3.916) 3.916 10.087 ( 0.000 0.000 -2.430) 2.430 11.011 ( 0.000 0.000 6.067) 6.067 11.213 ( 0.000 0.000 -15.229) 15.229 12.883 ( 0.000 0.000 1.816) 1.816 12.918 ( 0.000 0.000 -1.619) 1.619 13.233 ( 0.000 0.000 3.989) 3.989 13.276 ( 0.000 0.000 0.190) 0.190 14.356 ( 0.000 0.000 19.071) 19.071 14.748 ( 0.000 0.000 -19.309) 19.309 15.733 ( 0.000 0.000 -0.016) 0.016 15.750 ( 0.000 0.000 -1.665) 1.665 16.864 ( 0.000 0.000 9.453) 9.453 17.012 ( 0.000 0.000 -5.501) 5.501 18.919 ( 0.000 0.000 -0.023) 0.023 18.921 ( 0.000 0.000 -0.218) 0.218 ======================= Grid point 421 (130/160) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( 8.057 0.000 33.024) 33.993 3.302 ( 6.809 0.000 32.358) 33.067 3.822 ( 2.560 0.000 -19.279) 19.448 3.865 ( 1.475 0.000 -20.277) 20.331 4.505 ( -3.617 0.000 6.285) 7.252 4.632 ( -7.058 0.000 1.463) 7.208 4.718 ( 2.268 0.000 -12.078) 12.289 4.766 ( -2.648 0.000 -9.271) 9.642 5.467 ( 16.363 0.000 24.945) 29.833 5.801 ( 12.021 0.000 -9.513) 15.330 6.772 ( 2.355 0.000 5.900) 6.352 6.896 ( 0.484 0.000 -6.245) 6.264 7.035 ( -5.452 0.000 23.984) 24.595 7.412 ( -9.236 0.000 -7.200) 11.710 7.539 ( 5.270 0.000 -8.595) 10.083 7.612 ( 3.680 0.000 -13.418) 13.914 9.090 ( -24.318 0.000 7.031) 25.314 9.338 ( -20.802 0.000 -15.779) 26.109 10.025 ( 0.354 0.000 3.476) 3.494 10.078 ( 13.401 0.000 3.307) 13.802 10.081 ( -0.492 0.000 -2.028) 2.086 10.201 ( 13.195 0.000 -7.674) 15.264 11.020 ( 0.787 0.000 5.003) 5.065 11.198 ( -1.443 0.000 -13.972) 14.046 12.885 ( 0.211 0.000 1.578) 1.592 12.915 ( -0.253 0.000 -1.398) 1.420 13.294 ( 6.986 0.000 7.271) 10.083 13.403 ( 11.429 0.000 -3.436) 11.935 14.284 ( -7.112 0.000 18.370) 19.698 14.658 ( -8.825 0.000 -18.232) 20.256 15.736 ( 0.321 0.000 -0.192) 0.374 15.750 ( 0.009 0.000 -1.481) 1.481 16.862 ( -0.126 0.000 8.156) 8.157 16.987 ( -2.325 0.000 -4.402) 4.979 18.919 ( 0.007 0.000 -0.035) 0.036 18.921 ( -0.019 0.000 -0.204) 0.205 ======================= Grid point 422 (131/160) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 10.118 0.000 30.120) 31.774 3.487 ( 11.221 0.000 26.913) 29.158 3.797 ( -5.456 0.000 2.900) 6.179 3.862 ( -3.186 0.000 -4.198) 5.270 4.516 ( -2.942 0.000 -4.971) 5.777 4.531 ( 5.416 0.000 -8.445) 10.033 4.671 ( -6.417 0.000 -14.536) 15.889 4.724 ( -1.726 0.000 -20.183) 20.256 5.906 ( 27.115 0.000 23.284) 35.741 6.136 ( 20.337 0.000 -1.797) 20.416 6.829 ( 2.996 0.000 3.653) 4.725 6.865 ( -11.995 0.000 16.478) 20.382 6.900 ( -0.271 0.000 -3.383) 3.394 7.073 ( -23.694 0.000 1.298) 23.730 7.690 ( 9.955 0.000 -5.541) 11.394 7.771 ( 10.326 0.000 -8.246) 13.214 8.635 ( -19.312 0.000 -0.689) 19.324 8.867 ( -24.480 0.000 -21.143) 32.347 10.036 ( 0.672 0.000 2.281) 2.378 10.068 ( -0.810 0.000 -0.907) 1.216 10.313 ( 9.784 0.000 4.417) 10.735 10.412 ( 6.893 0.000 -4.334) 8.142 11.040 ( 1.469 0.000 0.734) 1.642 11.155 ( -2.933 0.000 -11.216) 11.593 12.891 ( 0.381 0.000 0.932) 1.007 12.908 ( -0.423 0.000 -0.787) 0.893 13.504 ( 13.495 0.000 11.103) 17.475 13.698 ( 17.476 0.000 -7.887) 19.173 14.084 ( -12.691 0.000 16.454) 20.779 14.412 ( -15.493 0.000 -15.567) 21.963 15.743 ( 0.320 0.000 -0.519) 0.610 15.750 ( -0.038 0.000 -1.119) 1.120 16.864 ( 0.436 0.000 5.053) 5.072 16.932 ( -2.858 0.000 -1.763) 3.358 18.920 ( 0.017 0.000 -0.068) 0.071 18.921 ( -0.029 0.000 -0.167) 0.169 ======================= Grid point 423 (132/160) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( -9.185 0.000 21.267) 23.166 3.643 ( 9.185 0.000 21.267) 23.166 3.716 ( -10.704 0.000 16.103) 19.336 3.716 ( 10.704 0.000 16.103) 19.336 4.545 ( -5.135 0.000 -14.739) 15.608 4.545 ( 5.135 0.000 -14.739) 15.608 4.651 ( -5.409 0.000 -19.602) 20.334 4.651 ( 5.409 0.000 -19.602) 20.334 6.463 ( -15.175 0.000 18.825) 24.180 6.463 ( 15.175 0.000 18.825) 24.180 6.592 ( -6.255 0.000 3.094) 6.979 6.592 ( 6.255 0.000 3.094) 6.979 6.879 ( -1.888 0.000 0.267) 1.907 6.879 ( 1.888 0.000 0.267) 1.907 7.875 ( -4.489 0.000 -1.528) 4.742 7.875 ( 4.489 0.000 -1.528) 4.742 8.484 ( -8.832 0.000 -17.935) 19.992 8.484 ( 8.832 0.000 -17.935) 19.992 10.051 ( -0.860 0.000 0.668) 1.089 10.051 ( 0.860 0.000 0.668) 1.089 10.448 ( -3.124 0.000 1.548) 3.486 10.448 ( 3.124 0.000 1.548) 3.486 11.089 ( -3.310 0.000 -6.485) 7.281 11.089 ( 3.310 0.000 -6.485) 7.281 12.899 ( -0.464 0.000 0.064) 0.469 12.899 ( 0.464 0.000 0.064) 0.469 13.798 ( -15.286 0.000 14.337) 20.958 13.798 ( 15.286 0.000 14.337) 20.958 14.066 ( -18.679 0.000 -12.239) 22.332 14.066 ( 18.679 0.000 -12.239) 22.332 15.748 ( -0.161 0.000 -0.809) 0.825 15.748 ( 0.161 0.000 -0.809) 0.825 16.885 ( -1.759 0.000 1.515) 2.321 16.885 ( 1.759 0.000 1.515) 2.321 18.920 ( -0.027 0.000 -0.116) 0.120 18.920 ( 0.027 0.000 -0.116) 0.120 ======================= Grid point 427 (133/160) ======================= q-point: ( 0.00 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 0.000 1.607 27.035) 27.083 3.268 ( 0.000 4.925 22.037) 22.580 3.968 ( 0.000 16.165 -17.670) 23.949 3.993 ( 0.000 13.057 -15.601) 20.344 4.632 ( 0.000 1.608 -0.037) 1.608 4.641 ( 0.000 3.871 0.546) 3.909 5.009 ( 0.000 25.754 -2.030) 25.834 5.012 ( 0.000 19.734 0.762) 19.748 5.393 ( 0.000 10.339 24.970) 27.026 5.766 ( 0.000 7.798 -12.368) 14.621 6.780 ( 0.000 4.279 3.933) 5.812 6.804 ( 0.000 -2.787 4.504) 5.297 7.289 ( 0.000 12.154 7.560) 14.313 7.458 ( 0.000 -0.271 -10.349) 10.353 7.513 ( 0.000 5.595 -2.144) 5.991 7.723 ( 0.000 11.449 -15.341) 19.142 9.487 ( 0.000 0.140 2.937) 2.941 9.491 ( 0.000 -2.127 3.420) 4.027 9.824 ( 0.000 -4.569 -3.969) 6.052 9.885 ( 0.000 -5.182 -8.786) 10.200 10.237 ( 0.000 16.001 4.983) 16.759 10.339 ( 0.000 19.395 -5.328) 20.113 10.969 ( 0.000 -3.604 7.215) 8.065 11.199 ( 0.000 -0.775 -16.367) 16.385 12.615 ( 0.000 -21.584 3.663) 21.893 12.664 ( 0.000 -16.432 -1.538) 16.503 13.353 ( 0.000 6.681 5.371) 8.572 13.441 ( 0.000 8.334 -3.247) 8.944 14.298 ( 0.000 -6.179 19.969) 20.903 14.712 ( 0.000 -4.932 -20.484) 21.070 15.843 ( 0.000 10.987 -0.112) 10.987 15.857 ( 0.000 10.795 -1.388) 10.883 16.632 ( 0.000 -21.738 8.122) 23.206 16.760 ( 0.000 -22.901 -4.806) 23.400 18.997 ( 0.000 6.560 0.885) 6.619 19.013 ( 0.000 7.519 -0.670) 7.549 ======================= Grid point 428 (134/160) ======================= q-point: ( 0.17 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 7.408 3.060 26.695) 27.873 3.389 ( 10.812 5.570 20.738) 24.041 3.936 ( -1.111 13.638 -10.324) 17.141 4.059 ( 1.841 14.473 -13.566) 19.922 4.534 ( -2.377 3.550 4.410) 6.140 4.702 ( 1.031 3.803 -9.386) 10.179 4.895 ( -6.882 21.435 3.327) 22.758 5.047 ( -0.514 23.479 -10.376) 25.675 5.537 ( 13.780 7.538 25.088) 29.600 5.864 ( 9.779 6.093 -8.489) 14.312 6.739 ( -2.740 -1.884 7.932) 8.600 6.836 ( 1.494 0.994 -0.725) 1.936 7.256 ( -3.303 13.217 6.456) 15.076 7.418 ( -6.257 0.978 -4.907) 8.011 7.575 ( 6.480 5.699 -4.615) 9.786 7.734 ( 2.892 12.344 -13.059) 18.201 9.080 ( -24.171 -0.715 7.044) 25.186 9.316 ( -20.968 -1.656 -14.862) 25.754 9.959 ( 9.467 -3.621 2.404) 10.417 10.035 ( 6.515 -2.166 -4.311) 8.107 10.293 ( 5.504 14.211 5.137) 16.082 10.393 ( 5.620 18.675 -4.682) 20.057 10.971 ( 0.192 -4.568 6.146) 7.660 11.184 ( -1.531 -0.737 -15.610) 15.702 12.661 ( 4.027 -18.901 3.152) 19.580 12.702 ( 3.302 -14.960 -1.197) 15.367 13.392 ( 4.226 5.303 6.850) 9.639 13.512 ( 7.219 6.013 -4.920) 10.605 14.229 ( -6.789 -5.817 19.241) 21.217 14.623 ( -8.732 -4.687 -19.200) 21.607 15.848 ( 0.506 11.204 -0.313) 11.219 15.860 ( 0.261 11.037 -1.318) 11.118 16.629 ( -0.304 -21.998 6.988) 23.084 16.737 ( -2.148 -22.884 -3.938) 23.320 18.998 ( 0.052 6.601 0.768) 6.646 19.011 ( -0.181 7.417 -0.540) 7.439 ======================= Grid point 429 (135/160) ======================= q-point: ( 0.33 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( 12.055 5.227 24.626) 27.912 3.634 ( 12.518 8.280 16.971) 22.656 3.889 ( -5.415 11.273 5.563) 13.688 3.996 ( -6.520 12.068 0.733) 13.736 4.577 ( 3.924 5.884 -4.830) 8.564 4.711 ( -0.136 7.143 -13.891) 15.621 4.774 ( -2.600 21.234 -2.834) 21.579 4.995 ( -4.640 21.868 -18.710) 29.151 5.911 ( 23.027 1.659 22.728) 32.397 6.128 ( 15.342 0.278 -0.954) 15.374 6.669 ( -4.783 -4.716 9.286) 11.461 6.821 ( -5.306 -1.792 -4.975) 7.491 7.166 ( -5.364 15.553 4.004) 16.932 7.202 ( -12.227 9.600 5.279) 16.417 7.764 ( 12.048 8.137 -4.028) 15.086 7.873 ( 10.305 10.643 -9.660) 17.686 8.620 ( -20.348 -0.978 0.238) 20.373 8.845 ( -24.673 -1.578 -19.782) 31.663 10.077 ( 3.103 1.252 0.753) 3.430 10.108 ( 1.524 2.095 -2.038) 3.297 10.426 ( 7.050 11.168 7.213) 15.048 10.522 ( 5.122 13.750 -0.871) 14.699 10.984 ( 1.673 -5.453 0.336) 5.713 11.134 ( -3.533 -1.259 -13.751) 14.253 12.744 ( 3.637 -13.309 1.958) 13.935 12.766 ( 2.485 -11.334 -0.263) 11.606 13.533 ( 10.039 0.983 10.302) 14.419 13.727 ( 14.020 0.792 -8.853) 16.601 14.040 ( -11.729 -4.437 17.369) 21.423 14.381 ( -15.009 -3.860 -16.083) 22.334 15.859 ( 0.504 11.659 -0.662) 11.689 15.865 ( 0.212 11.564 -1.143) 11.623 16.626 ( 0.214 -22.513 4.235) 22.908 16.686 ( -2.645 -22.886 -1.770) 23.106 18.999 ( 0.113 6.722 0.480) 6.740 19.006 ( -0.236 7.177 -0.233) 7.185 ======================= Grid point 430 (136/160) ======================= q-point: (-0.50 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( -12.257 7.522 19.376) 24.130 3.695 ( 12.257 7.522 19.376) 24.130 3.852 ( -8.752 11.067 9.842) 17.203 3.852 ( 8.752 11.067 9.842) 17.203 4.640 ( -3.689 9.730 -5.613) 11.823 4.640 ( 3.689 9.730 -5.613) 11.823 4.872 ( -7.369 19.203 -20.117) 28.771 4.872 ( 7.369 19.203 -20.117) 28.771 6.319 ( -7.270 -8.113 12.745) 16.766 6.319 ( 7.270 -8.113 12.745) 16.766 6.597 ( -6.324 1.052 3.565) 7.335 6.597 ( 6.324 1.052 3.565) 7.335 7.091 ( -1.142 15.678 3.714) 16.152 7.091 ( 1.142 15.678 3.714) 16.152 7.989 ( -5.924 11.766 -1.046) 13.214 7.989 ( 5.924 11.766 -1.046) 13.214 8.445 ( -9.728 -3.445 -17.608) 20.409 8.445 ( 9.728 -3.445 -17.608) 20.409 10.113 ( -0.797 3.496 -0.794) 3.672 10.113 ( 0.797 3.496 -0.794) 3.672 10.539 ( -3.323 10.522 6.073) 12.595 10.539 ( 3.323 10.522 6.073) 12.595 11.050 ( -4.500 -3.281 -9.227) 10.778 11.050 ( 4.500 -3.281 -9.227) 10.778 12.787 ( -0.533 -9.936 0.783) 9.981 12.787 ( 0.533 -9.936 0.783) 9.981 13.774 ( -13.204 -3.618 13.245) 19.049 13.774 ( 13.204 -3.618 13.245) 19.049 14.055 ( -16.945 -1.611 -11.671) 20.638 14.055 ( 16.945 -1.611 -11.671) 20.638 15.866 ( -0.137 11.873 -0.930) 11.910 15.866 ( 0.137 11.873 -0.930) 11.910 16.643 ( -1.555 -22.837 1.075) 22.915 16.643 ( 1.555 -22.837 1.075) 22.915 19.002 ( -0.187 6.921 0.126) 6.925 19.002 ( 0.187 6.921 0.126) 6.925 ======================= Grid point 434 (137/160) ======================= q-point: ( 0.00 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 0.000 10.571 20.889) 23.411 3.455 ( 0.000 13.949 8.190) 16.175 4.294 ( 0.000 15.169 -10.650) 18.535 4.295 ( 0.000 16.742 -7.099) 18.185 4.727 ( 0.000 8.280 1.861) 8.487 4.765 ( 0.000 8.604 -0.438) 8.615 5.424 ( 0.000 18.498 18.200) 25.950 5.603 ( 0.000 30.482 -5.865) 31.042 5.710 ( 0.000 21.383 10.125) 23.659 5.932 ( 0.000 7.517 -8.074) 11.031 6.869 ( 0.000 10.126 9.123) 13.630 6.971 ( 0.000 15.438 -2.077) 15.577 7.386 ( 0.000 1.467 -4.923) 5.136 7.480 ( 0.000 4.435 -12.255) 13.033 7.862 ( 0.000 26.739 5.235) 27.247 8.053 ( 0.000 21.704 -11.530) 24.577 9.442 ( 0.000 -2.552 6.589) 7.066 9.508 ( 0.000 2.405 1.120) 2.653 9.754 ( 0.000 -2.325 -4.688) 5.233 9.785 ( 0.000 -5.185 -7.946) 9.489 10.538 ( 0.000 11.154 6.762) 13.044 10.671 ( 0.000 5.206 -5.624) 7.664 10.990 ( 0.000 13.331 7.882) 15.487 11.238 ( 0.000 6.579 -15.746) 17.065 12.202 ( 0.000 -18.818 8.170) 20.515 12.339 ( 0.000 -15.218 -5.901) 16.322 13.419 ( 0.000 -0.107 5.251) 5.252 13.520 ( 0.000 0.032 -4.752) 4.752 14.098 ( 0.000 -14.302 20.180) 24.734 14.506 ( 0.000 -16.551 -19.536) 25.605 16.005 ( 0.000 -13.321 2.307) 13.519 16.017 ( 0.000 -19.324 1.773) 19.405 16.223 ( 0.000 7.408 5.053) 8.967 16.376 ( 0.000 2.710 -9.527) 9.905 19.118 ( 0.000 4.542 1.966) 4.949 19.146 ( 0.000 4.785 -0.825) 4.855 ======================= Grid point 435 (138/160) ======================= q-point: ( 0.17 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 10.610 12.391 20.154) 25.928 3.565 ( 10.613 13.169 7.832) 18.639 4.270 ( -0.800 18.505 -2.351) 18.671 4.363 ( 1.789 15.412 -8.816) 17.845 4.643 ( -1.618 7.436 6.731) 10.159 4.836 ( 3.165 9.429 -9.325) 13.634 5.328 ( -7.521 19.368 12.713) 24.358 5.564 ( -5.528 22.869 -12.025) 26.422 5.799 ( 9.816 19.921 17.500) 28.274 6.021 ( 7.873 9.699 -4.120) 13.154 6.808 ( -5.235 9.801 8.991) 14.293 6.960 ( -2.067 11.409 -5.955) 13.035 7.387 ( 0.038 3.257 -1.582) 3.621 7.504 ( 1.456 8.299 -10.328) 13.329 7.883 ( 2.903 24.642 5.104) 25.332 8.077 ( 2.502 21.742 -11.363) 24.659 9.080 ( -22.590 1.333 7.503) 23.841 9.299 ( -20.467 0.615 -13.085) 24.300 9.891 ( 10.768 -3.338 2.549) 11.559 9.973 ( 8.863 -3.859 -5.322) 11.035 10.565 ( 2.942 9.715 8.940) 13.527 10.742 ( 6.239 3.081 -7.519) 10.245 10.962 ( -2.400 15.693 9.560) 18.532 11.235 ( -0.639 8.222 -16.252) 18.224 12.288 ( 7.817 -17.384 6.747) 20.219 12.398 ( 5.456 -14.863 -4.400) 16.433 13.432 ( 1.544 -1.342 6.345) 6.667 13.557 ( 3.817 -1.424 -6.032) 7.279 14.043 ( -5.369 -13.170 19.467) 24.109 14.431 ( -7.322 -15.252 -18.368) 24.972 16.010 ( 0.569 -15.452 2.540) 15.670 16.029 ( 1.080 -22.288 1.275) 22.350 16.211 ( -1.119 10.466 4.150) 11.314 16.349 ( -2.630 3.961 -8.814) 10.015 19.119 ( 0.156 4.604 1.741) 4.925 19.143 ( -0.246 4.818 -0.631) 4.865 ======================= Grid point 436 (139/160) ======================= q-point: ( 0.33 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.659 ( 14.365 15.647 18.895) 28.429 3.834 ( 14.970 13.060 5.423) 20.593 4.189 ( -8.914 17.797 9.960) 22.258 4.296 ( -6.476 17.308 0.773) 18.496 4.741 ( 8.396 9.665 -2.100) 12.974 4.913 ( 5.049 11.987 -13.803) 18.966 5.175 ( -6.419 16.470 8.259) 19.511 5.414 ( -9.222 15.372 -13.892) 22.679 6.060 ( 15.523 15.039 15.578) 26.643 6.206 ( 9.654 8.604 0.252) 12.935 6.690 ( -6.014 6.603 7.330) 11.554 6.851 ( -9.456 5.199 -7.875) 13.359 7.392 ( 0.938 11.556 4.656) 12.494 7.496 ( -2.400 18.743 -1.525) 18.958 8.020 ( 11.257 16.680 -1.018) 20.149 8.169 ( 7.574 17.603 -11.700) 22.453 8.645 ( -20.221 5.744 3.173) 21.259 8.849 ( -23.526 3.566 -16.087) 28.722 10.053 ( 5.586 -2.959 0.761) 6.367 10.096 ( 3.552 -3.094 -3.516) 5.878 10.650 ( 5.217 6.737 12.090) 14.791 10.838 ( -0.675 -7.686 4.988) 9.188 10.953 ( 4.899 26.016 -4.000) 26.774 11.197 ( -3.537 11.298 -16.515) 20.320 12.461 ( 8.168 -14.163 4.278) 16.900 12.518 ( 5.358 -13.134 -1.371) 14.251 13.494 ( 5.090 -5.109 9.099) 11.610 13.667 ( 6.039 -7.312 -7.189) 11.901 13.909 ( -6.367 -8.699 15.272) 18.694 14.229 ( -12.434 -11.926 -15.215) 22.985 16.028 ( 1.216 -20.655 2.772) 20.876 16.052 ( 0.909 -31.441 1.380) 31.484 16.191 ( -0.370 18.998 0.991) 19.027 16.282 ( -3.772 8.334 -6.909) 11.464 19.124 ( 0.273 4.743 1.181) 4.895 19.137 ( -0.357 4.870 -0.136) 4.885 ======================= Grid point 437 (140/160) ======================= q-point: (-0.50 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( -13.676 17.094 16.466) 27.393 3.945 ( 13.676 17.094 16.466) 27.393 4.115 ( -11.717 15.434 2.710) 19.566 4.115 ( 11.717 15.434 2.710) 19.566 4.900 ( -6.916 15.551 -1.944) 17.130 4.900 ( 6.916 15.551 -1.944) 17.130 5.215 ( -9.632 10.936 -9.811) 17.568 5.215 ( 9.632 10.936 -9.811) 17.568 6.310 ( -4.107 8.805 6.697) 11.800 6.310 ( 4.107 8.805 6.697) 11.800 6.646 ( -5.936 4.315 1.320) 7.457 6.646 ( 5.936 4.315 1.320) 7.457 7.434 ( -3.114 20.221 4.566) 20.963 7.434 ( 3.114 20.221 4.566) 20.963 8.294 ( -15.301 9.915 -3.144) 18.502 8.294 ( 15.301 9.915 -3.144) 18.502 8.419 ( -18.097 10.360 -13.741) 24.972 8.419 ( 18.097 10.360 -13.741) 24.972 10.119 ( -1.127 -2.530 -1.551) 3.174 10.119 ( 1.127 -2.530 -1.551) 3.174 10.759 ( -5.392 2.615 13.243) 14.536 10.759 ( 5.392 2.615 13.243) 14.536 11.092 ( -6.846 15.289 -14.656) 22.258 11.092 ( 6.846 15.289 -14.656) 22.258 12.564 ( -1.467 -11.964 1.604) 12.160 12.564 ( 1.467 -11.964 1.604) 12.160 13.633 ( -7.933 -10.507 10.020) 16.545 13.633 ( 7.933 -10.507 10.020) 16.545 13.974 ( -11.724 -6.923 -8.864) 16.246 13.974 ( 11.724 -6.923 -8.864) 16.246 16.052 ( -0.918 -29.836 2.719) 29.973 16.052 ( 0.918 -29.836 2.719) 29.973 16.214 ( -2.657 17.121 -3.831) 17.744 16.214 ( 2.657 17.121 -3.831) 17.744 19.130 ( -0.345 4.854 0.506) 4.892 19.130 ( 0.345 4.854 0.506) 4.892 ======================= Grid point 441 (141/160) ======================= q-point: ( 0.00 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 0.000 18.639 16.815) 25.103 3.797 ( 0.000 19.975 -0.751) 19.989 4.545 ( 0.000 10.753 1.624) 10.875 4.639 ( 0.000 17.956 -4.372) 18.480 4.965 ( 0.000 11.042 -0.128) 11.042 4.965 ( 0.000 15.623 -0.648) 15.636 5.693 ( 0.000 9.595 17.042) 19.557 5.986 ( 0.000 4.255 -11.739) 12.486 6.149 ( 0.000 20.946 4.082) 21.340 6.171 ( 0.000 21.399 0.840) 21.416 7.136 ( 0.000 12.163 5.425) 13.318 7.216 ( 0.000 5.332 -6.199) 8.176 7.483 ( 0.000 11.603 6.381) 13.242 7.770 ( 0.000 24.884 -15.946) 29.555 8.488 ( 0.000 35.888 1.213) 35.908 8.576 ( 0.000 31.433 -7.190) 32.245 9.398 ( 0.000 -2.074 9.064) 9.298 9.587 ( 0.000 3.743 -5.949) 7.029 9.698 ( 0.000 -0.995 -1.255) 1.601 9.760 ( 0.000 4.305 -4.677) 6.357 10.611 ( 0.000 -5.341 1.642) 5.588 10.621 ( 0.000 -0.830 0.320) 0.890 11.276 ( 0.000 2.803 2.893) 4.028 11.389 ( 0.000 1.912 -7.429) 7.671 12.005 ( 0.000 5.124 8.391) 9.832 12.162 ( 0.000 1.455 -7.772) 7.907 13.360 ( 0.000 -5.909 4.271) 7.291 13.465 ( 0.000 -5.263 -5.849) 7.869 13.743 ( 0.000 -20.845 16.828) 26.789 14.066 ( 0.000 -27.249 -14.867) 31.041 15.412 ( 0.000 -32.120 4.904) 32.493 15.477 ( 0.000 -29.321 -1.239) 29.347 16.618 ( 0.000 22.994 2.840) 23.169 16.737 ( 0.000 22.918 -9.061) 24.645 19.149 ( 0.000 -1.632 2.245) 2.775 19.177 ( 0.000 -1.879 -0.487) 1.941 ======================= Grid point 442 (142/160) ======================= q-point: ( 0.17 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 12.488 18.522 15.887) 27.412 3.898 ( 9.706 19.763 0.906) 22.036 4.612 ( 5.292 12.058 -0.737) 13.189 4.652 ( 0.830 17.111 -2.539) 17.318 4.846 ( -5.069 13.615 10.060) 17.671 5.055 ( 3.514 12.480 -9.058) 15.816 5.624 ( -6.739 11.261 11.796) 17.645 5.834 ( -11.506 6.752 -6.933) 15.034 6.223 ( 6.305 19.472 4.115) 20.877 6.269 ( 7.501 15.285 0.542) 17.035 7.055 ( -7.414 11.977 5.653) 15.178 7.168 ( -5.344 6.485 -7.606) 11.334 7.539 ( 5.508 13.724 6.500) 16.153 7.810 ( 4.342 22.340 -15.617) 27.601 8.468 ( -2.993 33.368 2.380) 33.586 8.567 ( -1.464 27.196 -6.989) 28.118 9.164 ( -14.765 8.188 7.536) 18.489 9.368 ( -16.003 7.012 -11.742) 21.051 9.841 ( 9.282 -0.877 2.466) 9.644 9.903 ( 7.322 -2.348 -3.862) 8.605 10.615 ( 0.979 -3.217 3.211) 4.650 10.651 ( 2.021 -4.798 -0.090) 5.207 11.335 ( 5.391 8.719 3.547) 10.848 11.463 ( 6.026 9.162 -7.882) 13.505 12.066 ( 5.984 -0.884 6.769) 9.078 12.192 ( 3.162 -1.588 -6.158) 7.102 13.350 ( -0.826 -7.037 5.209) 8.794 13.464 ( -0.295 -8.416 -5.228) 9.911 13.729 ( -1.141 -17.170 14.859) 22.735 14.030 ( -3.645 -24.617 -14.017) 28.562 15.396 ( -1.411 -32.986 4.335) 33.300 15.457 ( -1.893 -30.426 -1.434) 30.519 16.620 ( 0.289 23.146 2.120) 23.245 16.722 ( -1.383 23.103 -8.057) 24.506 19.152 ( 0.254 -1.593 2.003) 2.572 19.175 ( -0.131 -1.803 -0.327) 1.837 ======================= Grid point 443 (143/160) ======================= q-point: ( 0.33 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.020 ( 16.881 19.778 14.237) 29.645 4.151 ( 14.859 18.684 3.273) 24.095 4.567 ( -8.851 20.075 8.151) 23.405 4.642 ( -5.234 16.914 0.062) 17.705 4.913 ( 11.958 7.494 5.553) 15.165 5.137 ( 6.018 10.239 -11.482) 16.519 5.437 ( -11.559 11.659 5.806) 17.414 5.584 ( -13.340 5.170 -6.134) 15.566 6.386 ( 9.674 14.411 6.457) 18.519 6.445 ( 10.146 14.382 -0.224) 17.602 6.875 ( -9.875 10.734 4.663) 15.313 6.999 ( -11.213 8.335 -7.487) 15.851 7.695 ( 10.039 18.242 7.318) 22.071 7.938 ( 7.067 23.766 -11.769) 27.446 8.332 ( -9.371 14.190 2.441) 17.179 8.492 ( -6.716 15.990 -10.047) 20.043 8.956 ( -5.411 25.781 2.044) 26.422 9.071 ( -12.054 20.991 -9.251) 25.914 9.982 ( 4.957 -3.679 0.638) 6.206 10.012 ( 3.534 -4.912 -2.409) 6.513 10.646 ( 1.860 -4.291 4.145) 6.250 10.682 ( 0.782 -6.559 1.063) 6.690 11.456 ( 5.976 19.481 2.164) 20.492 11.559 ( 2.471 21.426 -6.996) 22.675 12.217 ( 8.006 -10.915 3.591) 14.005 12.281 ( 4.859 -7.722 -2.894) 9.572 13.339 ( 0.175 -10.694 7.102) 12.839 13.439 ( -2.618 -15.518 0.188) 15.739 13.723 ( 1.377 -9.305 5.948) 11.129 13.926 ( -6.442 -17.728 -11.125) 21.899 15.370 ( -0.821 -34.642 2.508) 34.742 15.411 ( -2.428 -32.942 -1.318) 33.058 16.631 ( 0.808 23.449 0.175) 23.464 16.688 ( -1.877 23.450 -5.555) 24.172 19.159 ( 0.372 -1.525 1.411) 2.111 19.172 ( -0.243 -1.642 0.107) 1.663 ======================= Grid point 444 (144/160) ======================= q-point: (-0.50 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.333 ( -13.993 21.302 13.210) 28.707 4.333 ( 13.993 21.302 13.210) 28.707 4.447 ( -13.511 17.692 2.142) 22.364 4.447 ( 13.511 17.692 2.142) 22.364 5.184 ( -13.713 9.408 2.903) 16.882 5.184 ( 13.713 9.408 2.903) 16.882 5.321 ( -12.230 5.769 -8.000) 15.711 5.321 ( 12.230 5.769 -8.000) 15.711 6.566 ( -4.884 13.633 4.330) 15.115 6.566 ( 4.884 13.633 4.330) 15.115 6.779 ( -6.954 9.173 -2.783) 11.842 6.779 ( 6.954 9.173 -2.783) 11.842 7.915 ( -10.309 26.680 6.780) 29.395 7.915 ( 10.309 26.680 6.780) 29.395 8.312 ( -8.840 1.861 -14.197) 16.828 8.312 ( 8.840 1.861 -14.197) 16.828 8.930 ( -2.489 32.568 -2.554) 32.763 8.930 ( 2.489 32.568 -2.554) 32.763 10.039 ( -0.766 -5.037 -1.006) 5.193 10.039 ( 0.766 -5.037 -1.006) 5.193 10.678 ( -1.097 -5.989 3.152) 6.856 10.678 ( 1.097 -5.989 3.152) 6.856 11.550 ( -3.053 24.846 -2.662) 25.174 11.550 ( 3.053 24.846 -2.662) 25.174 12.325 ( -1.672 -12.168 0.238) 12.284 12.325 ( 1.672 -12.168 0.238) 12.284 13.372 ( -3.160 -15.609 6.595) 17.237 13.372 ( 3.160 -15.609 6.595) 17.237 13.797 ( -5.784 -10.102 -5.067) 12.696 13.797 ( 5.784 -10.102 -5.067) 12.696 15.373 ( -1.148 -34.887 0.121) 34.906 15.373 ( 1.148 -34.887 0.121) 34.906 16.654 ( -1.491 23.607 -2.554) 23.792 16.654 ( 1.491 23.607 -2.554) 23.792 19.166 ( -0.340 -1.526 0.721) 1.721 19.166 ( 0.340 -1.526 0.721) 1.721 ======================= Grid point 448 (145/160) ======================= q-point: ( 0.00 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.988 ( 0.000 21.918 12.581) 25.272 4.207 ( 0.000 20.738 -6.171) 21.636 4.743 ( 0.000 9.721 12.062) 15.492 4.985 ( 0.000 16.253 -7.253) 17.798 5.183 ( 0.000 11.394 4.140) 12.123 5.314 ( 0.000 18.953 -5.888) 19.847 5.838 ( 0.000 5.789 10.346) 11.855 6.028 ( 0.000 1.262 -6.477) 6.598 6.493 ( 0.000 13.340 6.712) 14.934 6.566 ( 0.000 18.003 -1.319) 18.052 7.248 ( 0.000 0.009 -4.254) 4.254 7.274 ( 0.000 4.734 -6.107) 7.727 7.841 ( 0.000 21.013 18.227) 27.817 8.242 ( 0.000 19.953 -19.527) 27.919 9.196 ( 0.000 31.311 1.127) 31.331 9.227 ( 0.000 23.770 -0.010) 23.770 9.374 ( 0.000 7.720 4.195) 8.786 9.549 ( 0.000 -1.644 -11.363) 11.481 9.893 ( 0.000 17.388 5.247) 18.163 9.979 ( 0.000 18.245 -4.237) 18.730 10.545 ( 0.000 -0.364 3.573) 3.591 10.597 ( 0.000 0.298 -1.283) 1.317 11.055 ( 0.000 -18.484 5.916) 19.408 11.203 ( 0.000 -17.142 -8.192) 18.999 12.350 ( 0.000 21.927 3.720) 22.240 12.387 ( 0.000 15.374 -0.092) 15.375 13.114 ( 0.000 -21.498 5.688) 22.238 13.290 ( 0.000 -15.742 -10.570) 18.962 13.397 ( 0.000 -10.295 6.158) 11.996 13.513 ( 0.000 -23.892 -5.888) 24.607 14.828 ( 0.000 -26.167 6.711) 27.013 14.946 ( 0.000 -24.023 -4.465) 24.434 17.066 ( 0.000 21.981 2.803) 22.159 17.176 ( 0.000 21.112 -8.148) 22.630 19.051 ( 0.000 -8.235 1.908) 8.453 19.071 ( 0.000 -8.677 -0.141) 8.678 ======================= Grid point 449 (146/160) ======================= q-point: ( 0.17 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( 11.009 20.240 12.386) 26.159 4.303 ( 9.203 20.189 -4.610) 22.662 4.794 ( 4.969 8.457 10.200) 14.151 4.996 ( 0.460 15.731 -5.771) 16.763 5.137 ( -3.707 14.638 8.512) 17.334 5.325 ( 0.206 15.239 -8.161) 17.288 5.800 ( -4.585 7.044 5.933) 10.288 5.922 ( -9.884 3.273 -3.710) 11.053 6.518 ( 2.997 11.117 5.712) 12.853 6.589 ( 3.253 15.372 -1.288) 15.765 7.243 ( -1.875 4.641 -3.598) 6.164 7.245 ( -3.230 7.115 -4.155) 8.850 7.876 ( 4.207 18.470 14.293) 23.731 8.231 ( -0.176 17.830 -18.469) 25.672 9.034 ( -16.291 18.404 3.972) 24.898 9.093 ( -10.333 21.997 -2.246) 24.406 9.427 ( 4.837 18.129 2.732) 18.961 9.570 ( 2.487 11.713 -10.680) 16.045 9.932 ( 1.951 12.968 2.067) 13.276 9.969 ( -0.912 13.293 -2.418) 13.542 10.552 ( 0.991 -0.523 3.881) 4.040 10.604 ( 0.473 0.093 -1.286) 1.373 11.201 ( 13.572 -15.621 8.300) 22.296 11.385 ( 16.609 -14.843 -9.034) 24.037 12.269 ( -6.185 14.500 7.989) 17.673 12.418 ( 0.682 18.807 -5.931) 19.732 13.088 ( -2.366 -21.222 5.313) 22.005 13.204 ( -5.682 -17.709 -3.864) 18.995 13.473 ( 4.873 -8.449 1.525) 9.872 13.549 ( 3.203 -19.914 -5.331) 20.863 14.795 ( -2.979 -26.939 5.927) 27.743 14.907 ( -3.777 -24.772 -4.579) 25.474 17.070 ( 0.429 22.013 2.121) 22.119 17.165 ( -1.095 21.282 -7.279) 22.519 19.054 ( 0.274 -8.250 1.709) 8.430 19.071 ( -0.013 -8.629 -0.037) 8.629 ======================= Grid point 450 (147/160) ======================= q-point: ( 0.33 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.395 ( 17.406 17.613 11.528) 27.315 4.538 ( 13.402 19.409 0.203) 23.588 4.906 ( 3.084 8.959 4.055) 10.306 4.949 ( -6.396 17.485 3.458) 18.937 5.087 ( 1.061 11.658 10.677) 15.844 5.314 ( -0.845 8.175 -8.064) 11.514 5.632 ( -11.098 7.344 -0.499) 13.317 5.700 ( -11.040 7.012 -4.941) 13.981 6.630 ( 8.441 10.934 5.906) 15.022 6.717 ( 8.951 12.677 -2.391) 15.702 7.108 ( -9.319 13.387 0.974) 16.340 7.162 ( -7.091 8.993 -5.260) 12.602 8.022 ( 10.190 14.303 7.861) 19.241 8.274 ( 4.379 10.660 -15.118) 19.010 8.690 ( -16.175 21.567 5.747) 27.564 8.830 ( -14.622 17.114 -7.496) 23.725 9.534 ( 5.362 27.071 2.034) 27.671 9.627 ( 2.049 30.027 -6.655) 30.824 9.933 ( -0.658 -0.929 -0.199) 1.156 9.959 ( -0.553 5.300 -2.254) 5.786 10.580 ( 1.534 -0.070 2.939) 3.316 10.611 ( 0.113 -0.105 -0.225) 0.273 11.528 ( 17.743 -9.621 12.088) 23.526 11.778 ( 20.977 -9.230 -11.291) 25.548 12.108 ( -10.179 6.922 12.076) 17.243 12.374 ( -6.073 12.702 -13.037) 19.188 13.040 ( -1.683 -19.495 5.461) 20.315 13.105 ( -4.130 -17.614 -0.117) 18.092 13.563 ( 4.041 -7.313 1.205) 8.442 13.612 ( 2.370 -11.052 -3.361) 11.793 14.735 ( -2.312 -28.749 3.056) 29.003 14.812 ( -5.152 -26.908 -4.133) 27.706 17.083 ( 0.923 22.042 0.270) 22.063 17.137 ( -1.582 21.645 -5.061) 22.285 19.061 ( 0.364 -8.298 1.232) 8.397 19.070 ( -0.093 -8.513 0.256) 8.517 ======================= Grid point 451 (148/160) ======================= q-point: (-0.50 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.736 ( -15.185 18.070 8.876) 25.216 4.736 ( 15.185 18.070 8.876) 25.216 4.791 ( -11.214 17.141 4.960) 21.075 4.791 ( 11.214 17.141 4.960) 21.075 5.235 ( -9.296 0.699 3.847) 10.085 5.235 ( 9.296 0.699 3.847) 10.085 5.527 ( -3.928 10.438 -8.949) 14.299 5.527 ( 3.928 10.438 -8.949) 14.299 6.815 ( -6.421 12.068 3.582) 14.131 6.815 ( 6.421 12.068 3.582) 14.131 6.999 ( -5.625 13.151 -3.966) 14.843 6.999 ( 5.625 13.151 -3.966) 14.843 8.250 ( -10.619 7.561 1.368) 13.107 8.250 ( 10.619 7.561 1.368) 13.107 8.576 ( -8.255 22.918 -6.882) 25.313 8.576 ( 8.255 22.918 -6.882) 25.313 9.620 ( -2.764 35.000 -0.913) 35.121 9.620 ( 2.764 35.000 -0.913) 35.121 9.939 ( -1.121 -4.177 -2.235) 4.868 9.939 ( 1.121 -4.177 -2.235) 4.868 10.604 ( -0.799 -0.034 1.369) 1.585 10.604 ( 0.799 -0.034 1.369) 1.585 11.859 ( -14.909 -2.087 13.814) 20.432 11.859 ( 14.909 -2.087 13.814) 20.432 12.155 ( -15.808 0.686 -14.208) 21.265 12.155 ( 15.808 0.686 -14.208) 21.265 13.043 ( -1.895 -16.871 3.237) 17.283 13.043 ( 1.895 -16.871 3.237) 17.283 13.622 ( -1.492 -6.568 -0.239) 6.740 13.622 ( 1.492 -6.568 -0.239) 6.740 14.731 ( -2.265 -29.109 -1.392) 29.230 14.731 ( 2.265 -29.109 -1.392) 29.230 17.107 ( -1.407 21.939 -2.306) 22.105 17.107 ( 1.407 21.939 -2.306) 22.105 19.067 ( -0.252 -8.387 0.700) 8.420 19.067 ( 0.252 -8.387 0.700) 8.420 ======================= Grid point 455 (149/160) ======================= q-point: ( 0.00 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.407 ( 0.000 19.619 7.714) 21.081 4.579 ( 0.000 16.291 -8.293) 18.281 4.934 ( 0.000 9.674 14.341) 17.298 5.216 ( 0.000 6.866 -11.551) 13.437 5.456 ( 0.000 16.166 9.927) 18.971 5.681 ( 0.000 17.276 -10.697) 20.320 5.934 ( 0.000 4.407 7.697) 8.869 6.042 ( 0.000 0.195 -2.255) 2.263 6.635 ( 0.000 0.147 10.314) 10.315 6.812 ( 0.000 3.522 -5.929) 6.896 7.314 ( 0.000 10.135 2.549) 10.451 7.423 ( 0.000 11.563 -6.661) 13.344 8.233 ( 0.000 18.364 15.007) 23.717 8.556 ( 0.000 13.128 -15.939) 20.650 9.221 ( 0.000 -5.518 4.900) 7.379 9.361 ( 0.000 -4.279 -8.366) 9.396 9.812 ( 0.000 15.949 -1.338) 16.005 9.843 ( 0.000 17.734 -3.280) 18.034 10.317 ( 0.000 21.733 9.871) 23.870 10.430 ( 0.000 25.544 -2.943) 25.713 10.497 ( 0.000 -11.117 4.799) 12.109 10.612 ( 0.000 -9.040 -4.327) 10.022 10.850 ( 0.000 9.983 3.065) 10.443 10.946 ( 0.000 5.097 -6.986) 8.647 12.511 ( 0.000 -12.746 17.307) 21.494 12.575 ( 0.000 -11.765 5.563) 13.014 12.681 ( 0.000 -13.602 -5.315) 14.604 12.903 ( 0.000 -9.861 -20.679) 22.910 13.245 ( 0.000 -5.505 3.359) 6.449 13.299 ( 0.000 -0.068 -1.520) 1.522 14.421 ( 0.000 -14.330 6.517) 15.743 14.550 ( 0.000 -15.762 -5.597) 16.726 17.475 ( 0.000 19.533 2.245) 19.662 17.562 ( 0.000 18.085 -6.322) 19.158 18.835 ( 0.000 -13.362 1.099) 13.407 18.845 ( 0.000 -14.000 0.098) 14.000 ======================= Grid point 456 (150/160) ======================= q-point: ( 0.17 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.479 ( 7.444 17.385 8.548) 20.753 4.654 ( 7.403 14.669 -7.990) 18.271 4.968 ( 3.286 9.307 13.465) 16.695 5.221 ( 0.465 7.248 -9.654) 12.081 5.425 ( -3.241 14.374 9.936) 17.772 5.637 ( -4.569 14.857 -9.022) 17.972 5.904 ( -5.301 3.628 4.713) 7.967 5.978 ( -6.220 2.665 -0.976) 6.836 6.655 ( 4.071 2.544 7.396) 8.818 6.796 ( 1.098 3.666 -5.068) 6.351 7.370 ( 3.697 11.702 1.929) 12.423 7.456 ( 1.200 13.169 -4.955) 14.121 8.231 ( 0.777 17.470 12.568) 21.535 8.519 ( -2.953 12.737 -14.713) 19.683 9.182 ( -4.805 -0.752 4.161) 6.401 9.292 ( -7.473 1.569 -6.108) 9.779 9.745 ( -3.704 11.303 0.555) 11.908 9.797 ( -0.313 9.995 -4.688) 11.044 10.334 ( -3.933 19.251 2.085) 19.759 10.395 ( -1.107 21.516 -4.036) 21.919 10.614 ( 8.421 3.394 7.369) 11.693 10.681 ( 4.761 7.616 1.069) 9.045 10.970 ( 11.052 2.050 3.126) 11.667 11.070 ( 14.716 -9.775 -6.808) 18.933 12.376 ( -9.689 -8.070 14.651) 19.330 12.615 ( -2.137 -25.580 1.257) 25.700 12.674 ( 0.742 -2.909 -4.351) 5.286 12.820 ( -5.637 -11.601 -14.094) 19.105 13.311 ( 6.181 -3.372 4.486) 8.349 13.393 ( 7.606 -0.200 -3.299) 8.293 14.377 ( -4.124 -14.639 5.930) 16.324 14.503 ( -4.571 -15.794 -5.826) 17.444 17.479 ( 0.423 19.509 1.703) 19.588 17.554 ( -0.761 18.269 -5.667) 19.143 18.837 ( 0.194 -13.430 0.982) 13.467 18.845 ( 0.051 -13.977 0.134) 13.978 ======================= Grid point 457 (151/160) ======================= q-point: ( 0.33 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.701 ( 14.502 13.270 9.754) 21.945 4.861 ( 12.815 12.109 -5.726) 18.538 5.056 ( 5.015 8.203 10.637) 14.338 5.220 ( -1.547 9.688 -3.631) 10.461 5.321 ( -7.379 10.477 10.114) 16.325 5.489 ( -10.743 9.641 -3.359) 14.820 5.717 ( -8.938 1.225 -0.037) 9.021 5.819 ( -9.695 3.930 -7.265) 12.737 6.824 ( 12.157 8.747 5.273) 15.877 6.923 ( 10.440 7.803 -3.673) 13.542 7.383 ( -3.798 13.343 -0.610) 13.887 7.398 ( -6.931 15.073 -0.692) 16.605 8.302 ( 6.299 15.355 6.094) 17.680 8.477 ( -1.063 11.680 -9.910) 15.355 9.036 ( -8.091 10.808 1.757) 13.615 9.101 ( -10.012 9.620 -3.993) 14.447 9.756 ( 3.886 2.524 1.985) 5.041 9.834 ( 2.618 0.251 -5.178) 5.807 10.249 ( -3.633 18.671 0.680) 19.033 10.318 ( -5.189 19.385 -6.063) 20.963 10.730 ( 2.924 17.145 3.873) 17.819 10.746 ( 1.848 16.040 1.957) 16.264 11.279 ( 18.541 -10.806 10.357) 23.829 11.453 ( 19.469 -17.509 -4.249) 26.527 12.168 ( -9.938 -5.695 10.455) 15.508 12.440 ( -13.518 -13.780 -12.113) 22.789 12.708 ( 1.690 -11.274 -0.664) 11.419 12.754 ( -1.411 -16.625 -4.333) 17.238 13.459 ( 7.769 0.110 5.542) 9.544 13.540 ( 5.846 1.424 -1.782) 6.275 14.285 ( -4.024 -15.942 3.047) 16.722 14.383 ( -6.878 -16.176 -5.800) 18.510 17.491 ( 0.816 19.397 0.226) 19.415 17.534 ( -1.157 18.698 -3.971) 19.150 18.842 ( 0.239 -13.593 0.714) 13.614 18.846 ( 0.019 -13.903 0.246) 13.905 ======================= Grid point 458 (152/160) ======================= q-point: (-0.50 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.013 ( -14.092 10.697 8.459) 19.610 5.013 ( 14.092 10.697 8.459) 19.610 5.107 ( -8.658 13.571 2.046) 16.227 5.107 ( 8.658 13.571 2.046) 16.227 5.270 ( -7.540 3.010 3.939) 9.024 5.270 ( 7.540 3.010 3.939) 9.024 5.666 ( -3.747 3.279 -8.939) 10.232 5.666 ( 3.747 3.279 -8.939) 10.232 7.051 ( -5.293 12.016 2.123) 13.301 7.051 ( 5.293 12.016 2.123) 13.301 7.276 ( -2.631 13.497 -1.961) 13.890 7.276 ( 2.631 13.497 -1.961) 13.890 8.431 ( -4.970 12.520 -1.208) 13.525 8.431 ( 4.970 12.520 -1.208) 13.525 8.961 ( -2.274 14.247 -2.240) 14.600 8.961 ( 2.274 14.247 -2.240) 14.600 9.838 ( -2.807 -2.285 -0.345) 3.635 9.838 ( 2.807 -2.285 -0.345) 3.635 10.232 ( -2.450 19.606 -3.786) 20.117 10.232 ( 2.450 19.606 -3.786) 20.117 10.759 ( -0.371 17.915 2.277) 18.062 10.759 ( 0.371 17.915 2.277) 18.062 11.596 ( -9.188 -16.457 11.284) 21.967 11.596 ( 9.188 -16.457 11.284) 21.967 12.154 ( -11.755 -7.490 -8.882) 16.528 12.154 ( 11.755 -7.490 -8.882) 16.528 12.734 ( -0.976 -15.405 -1.872) 15.549 12.734 ( 0.976 -15.405 -1.872) 15.549 13.576 ( -2.756 2.474 3.442) 5.056 13.576 ( 2.756 2.474 3.442) 5.056 14.270 ( -3.162 -17.002 -2.917) 17.537 14.270 ( 3.162 -17.002 -2.917) 17.537 17.511 ( -1.116 19.125 -1.819) 19.244 17.511 ( 1.116 19.125 -1.819) 19.244 18.845 ( -0.119 -13.770 0.443) 13.778 18.845 ( 0.119 -13.770 0.443) 13.778 ======================= Grid point 462 (153/160) ======================= q-point: ( 0.00 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.729 ( 0.000 12.405 2.777) 12.712 4.822 ( 0.000 7.873 -6.269) 10.064 5.116 ( 0.000 8.473 8.882) 12.275 5.289 ( 0.000 0.891 -7.482) 7.535 5.761 ( 0.000 12.989 6.903) 14.710 5.895 ( 0.000 3.120 -4.410) 5.403 6.058 ( 0.000 2.907 3.141) 4.280 6.099 ( 0.000 13.244 -1.467) 13.325 6.526 ( 0.000 -9.188 9.474) 13.197 6.714 ( 0.000 -10.532 -7.722) 13.060 7.606 ( 0.000 15.128 5.809) 16.205 7.681 ( 0.000 11.754 -0.771) 11.779 8.573 ( 0.000 16.396 10.165) 19.291 8.799 ( 0.000 11.594 -11.360) 16.232 9.108 ( 0.000 -5.286 5.391) 7.550 9.275 ( 0.000 -4.258 -10.620) 11.441 9.977 ( 0.000 1.617 1.283) 2.064 10.004 ( 0.000 1.438 -1.594) 2.147 10.070 ( 0.000 -17.346 3.324) 17.661 10.208 ( 0.000 -21.664 -9.480) 23.648 10.904 ( 0.000 28.369 8.351) 29.573 10.993 ( 0.000 28.313 -0.090) 28.313 11.273 ( 0.000 26.668 2.944) 26.830 11.350 ( 0.000 24.706 -4.167) 25.055 12.100 ( 0.000 -19.546 5.873) 20.409 12.112 ( 0.000 -25.683 2.841) 25.839 12.378 ( 0.000 -22.289 4.492) 22.737 12.612 ( 0.000 -23.188 -14.512) 27.355 13.338 ( 0.000 9.082 1.263) 9.169 13.377 ( 0.000 5.807 -1.487) 5.995 14.259 ( 0.000 -3.339 2.424) 4.127 14.329 ( 0.000 -7.118 -4.076) 8.202 17.842 ( 0.000 17.962 1.484) 18.024 17.898 ( 0.000 16.410 -4.109) 16.917 18.536 ( 0.000 -16.897 0.354) 16.900 18.542 ( 0.000 -15.948 -0.195) 15.949 ======================= Grid point 463 (154/160) ======================= q-point: ( 0.17 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.763 ( 4.069 10.966 4.337) 12.475 4.862 ( 4.275 6.259 -5.308) 9.253 5.150 ( 3.297 8.662 7.329) 11.816 5.308 ( 1.877 1.754 -7.520) 7.946 5.666 ( -7.560 9.345 8.201) 14.551 5.817 ( -6.932 1.921 -5.219) 8.887 5.997 ( -11.761 6.860 3.473) 14.051 6.037 ( -5.403 3.388 -0.454) 6.393 6.648 ( 12.694 -1.641 4.514) 13.572 6.757 ( 7.515 -5.410 -4.995) 10.521 7.652 ( 2.689 13.619 4.981) 14.748 7.715 ( 1.244 10.818 -0.438) 10.898 8.573 ( 0.996 17.321 8.598) 19.363 8.773 ( -1.859 13.112 -10.336) 16.799 9.112 ( 0.232 -4.753 5.034) 6.927 9.262 ( -1.618 -3.495 -9.296) 10.062 9.882 ( -4.616 1.096 -0.318) 4.755 9.898 ( -4.978 3.117 -2.328) 6.318 10.213 ( 8.024 -15.813 5.595) 18.594 10.363 ( 8.587 -18.417 -8.991) 22.221 10.943 ( 4.548 24.561 7.904) 26.199 11.026 ( 4.316 24.813 0.473) 25.190 11.280 ( 0.994 24.925 2.473) 25.067 11.344 ( -0.268 24.000 -3.286) 24.226 12.058 ( -4.283 -17.420 7.162) 19.316 12.103 ( -1.301 -25.068 2.042) 25.185 12.360 ( -1.375 -22.707 2.138) 22.849 12.550 ( -5.624 -21.878 -13.577) 26.355 13.406 ( 6.524 8.556 2.316) 11.006 13.459 ( 7.288 5.090 -2.288) 9.179 14.212 ( -4.497 -3.371 2.351) 6.092 14.284 ( -4.416 -7.026 -4.292) 9.343 17.845 ( 0.336 17.912 1.123) 17.950 17.894 ( -0.431 16.578 -3.697) 16.991 18.537 ( 0.097 -16.874 0.299) 16.877 18.542 ( 0.028 -16.057 -0.185) 16.058 ======================= Grid point 464 (155/160) ======================= q-point: ( 0.33 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.912 ( 11.104 8.096 7.010) 15.426 5.006 ( 10.391 3.489 -2.124) 11.165 5.238 ( 5.212 9.136 3.846) 11.199 5.353 ( 1.801 4.157 -6.059) 7.565 5.482 ( -11.214 6.145 10.440) 16.508 5.661 ( -15.255 7.307 -3.846) 17.347 5.685 ( -9.104 -4.012 3.910) 10.689 5.842 ( -11.922 -1.377 -8.275) 14.578 6.971 ( 18.284 6.013 2.909) 19.466 7.029 ( 17.244 3.243 -2.341) 17.701 7.627 ( -6.644 9.685 2.303) 11.968 7.649 ( -8.182 8.987 0.708) 12.174 8.643 ( 5.687 18.429 4.435) 19.790 8.757 ( 0.397 16.197 -6.347) 17.400 9.109 ( -0.542 -1.526 3.010) 3.418 9.199 ( -4.534 -0.007 -5.494) 7.123 9.830 ( -0.052 6.172 -0.306) 6.180 9.859 ( -0.069 2.907 -2.891) 4.100 10.313 ( 2.277 -10.321 4.637) 11.542 10.426 ( -2.001 -9.986 -6.261) 11.955 11.092 ( 9.073 16.181 7.655) 20.069 11.164 ( 6.397 19.089 0.972) 20.156 11.338 ( 5.567 14.052 1.078) 15.153 11.361 ( 3.262 19.307 0.272) 19.582 11.938 ( -6.736 -13.921 6.084) 16.618 12.038 ( -5.833 -21.786 -1.201) 22.585 12.342 ( -0.191 -23.654 -1.194) 23.684 12.429 ( -5.464 -21.589 -9.667) 24.277 13.568 ( 8.835 8.318 3.045) 12.510 13.624 ( 8.207 5.764 -2.106) 10.248 14.097 ( -6.188 -4.491 1.484) 7.789 14.163 ( -7.222 -7.134 -4.536) 11.119 17.854 ( 0.593 17.739 0.139) 17.750 17.882 ( -0.696 16.982 -2.614) 17.196 18.539 ( 0.134 -16.783 0.156) 16.785 18.542 ( 0.004 -16.319 -0.131) 16.319 ======================= Grid point 465 (156/160) ======================= q-point: (-0.50 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.177 ( -11.400 6.241 8.280) 15.409 5.177 ( 11.400 6.241 8.280) 15.409 5.268 ( -7.388 2.455 2.622) 8.215 5.268 ( 7.388 2.455 2.622) 8.215 5.384 ( -5.483 8.679 -0.321) 10.270 5.384 ( 5.483 8.679 -0.321) 10.270 5.660 ( -4.905 -3.463 -8.050) 10.043 5.660 ( 4.905 -3.463 -8.050) 10.043 7.280 ( -4.181 10.696 1.380) 11.567 7.280 ( 4.181 10.696 1.380) 11.567 7.464 ( -2.832 4.429 0.009) 5.257 7.464 ( 2.832 4.429 0.009) 5.257 8.745 ( -3.054 17.908 -0.597) 18.176 8.745 ( 3.054 17.908 -0.597) 18.176 9.118 ( -2.443 1.938 -0.982) 3.269 9.118 ( 2.443 1.938 -0.982) 3.269 9.853 ( -1.194 5.051 -1.348) 5.362 9.853 ( 1.194 5.051 -1.348) 5.362 10.356 ( -3.234 -7.097 -0.893) 7.850 10.356 ( 3.234 -7.097 -0.893) 7.850 11.205 ( -1.552 21.238 3.301) 21.549 11.205 ( 1.552 21.238 3.301) 21.549 11.434 ( -2.399 6.269 5.197) 8.489 11.434 ( 2.399 6.269 5.197) 8.489 11.897 ( -5.147 -15.846 -2.414) 16.835 11.897 ( 5.147 -15.846 -2.414) 16.835 12.357 ( -1.879 -23.391 -4.257) 23.849 12.357 ( 1.879 -23.391 -4.257) 23.849 13.704 ( -2.511 9.205 1.627) 9.679 13.704 ( 2.511 9.205 1.627) 9.679 14.042 ( -2.779 -7.957 -2.758) 8.868 14.042 ( 2.779 -7.957 -2.758) 8.868 17.868 ( -0.733 17.417 -1.213) 17.475 17.868 ( 0.733 17.417 -1.213) 17.475 18.542 ( -0.078 -16.593 -0.009) 16.593 18.542 ( 0.078 -16.593 -0.009) 16.593 ======================= Grid point 469 (157/160) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.877 ( 0.000 -2.430 -1.767) 3.005 4.877 ( 0.000 2.430 -1.767) 3.005 5.251 ( 0.000 -4.706 -0.204) 4.711 5.251 ( 0.000 4.706 -0.204) 4.711 5.899 ( 0.000 -2.056 0.045) 2.057 5.899 ( 0.000 2.056 0.045) 2.057 6.203 ( 0.000 -8.395 7.815) 11.469 6.203 ( 0.000 8.395 7.815) 11.469 6.479 ( 0.000 -10.450 -5.154) 11.652 6.479 ( 0.000 10.450 -5.154) 11.652 7.790 ( 0.000 -1.983 4.276) 4.714 7.790 ( 0.000 1.983 4.276) 4.714 8.850 ( 0.000 -9.548 4.160) 10.415 8.850 ( 0.000 9.548 4.160) 10.415 9.146 ( 0.000 -9.392 -6.004) 11.147 9.146 ( 0.000 9.392 -6.004) 11.147 9.872 ( 0.000 -4.617 -2.391) 5.199 9.872 ( 0.000 4.617 -2.391) 5.199 10.033 ( 0.000 -1.211 -3.232) 3.451 10.033 ( 0.000 1.211 -3.232) 3.451 11.351 ( 0.000 -8.189 5.308) 9.759 11.351 ( 0.000 8.189 5.308) 9.759 11.622 ( 0.000 -11.263 1.384) 11.348 11.622 ( 0.000 11.263 1.384) 11.348 11.859 ( 0.000 -23.584 9.971) 25.606 11.859 ( 0.000 23.584 9.971) 25.606 12.113 ( 0.000 -22.200 -12.896) 25.674 12.113 ( 0.000 22.200 -12.896) 25.674 13.443 ( 0.000 -0.561 -0.183) 0.590 13.443 ( 0.000 0.561 -0.183) 0.590 14.247 ( 0.000 -1.663 -1.467) 2.217 14.247 ( 0.000 1.663 -1.467) 2.217 18.182 ( 0.000 -10.529 0.317) 10.534 18.182 ( 0.000 10.529 0.317) 10.534 18.230 ( 0.000 -9.208 -1.485) 9.327 18.230 ( 0.000 9.208 -1.485) 9.327 ======================= Grid point 471 (158/160) ======================= q-point: ( 0.17 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.898 ( 2.798 -2.557 -0.189) 3.796 4.898 ( 2.798 2.557 -0.189) 3.796 5.284 ( 3.190 -4.306 -1.560) 5.581 5.284 ( 3.190 4.306 -1.560) 5.581 5.789 ( -8.779 -3.647 3.197) 10.030 5.789 ( -8.779 3.647 3.197) 10.030 6.082 ( -12.894 -0.598 0.677) 12.926 6.082 ( -12.894 0.598 0.677) 12.926 6.656 ( 16.671 -3.347 -1.111) 17.040 6.656 ( 16.671 3.347 -1.111) 17.040 7.813 ( 0.430 -1.663 3.659) 4.042 7.813 ( 0.430 1.663 3.659) 4.042 8.863 ( 1.844 -9.196 3.456) 9.995 8.863 ( 1.844 9.196 3.456) 9.995 9.135 ( -1.038 -9.194 -5.187) 10.608 9.135 ( -1.038 9.194 -5.187) 10.608 9.888 ( 1.801 -2.877 -2.173) 4.030 9.888 ( 1.801 2.877 -2.173) 4.030 10.091 ( 4.662 -5.612 -2.319) 7.656 10.091 ( 4.662 5.612 -2.319) 7.656 11.338 ( -0.569 -6.993 4.846) 8.527 11.338 ( -0.569 6.993 4.846) 8.527 11.642 ( 1.747 -11.688 2.152) 12.012 11.642 ( 1.747 11.688 2.152) 12.012 11.840 ( -1.829 -22.799 8.252) 24.315 11.840 ( -1.829 22.799 8.252) 24.315 12.073 ( -3.878 -20.489 -12.065) 24.092 12.073 ( -3.878 20.489 -12.065) 24.092 13.514 ( 6.652 -1.089 -0.284) 6.747 13.514 ( 6.652 1.089 -0.284) 6.747 14.201 ( -4.535 -1.775 -1.465) 5.085 14.201 ( -4.535 1.775 -1.465) 5.085 18.186 ( 0.367 -10.641 0.207) 10.649 18.186 ( 0.367 10.641 0.207) 10.649 18.227 ( -0.342 -9.505 -1.376) 9.610 18.227 ( -0.342 9.505 -1.376) 9.610 ======================= Grid point 473 (159/160) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.016 ( 9.461 -2.413 3.081) 10.238 5.016 ( 9.461 2.413 3.081) 10.238 5.369 ( 4.739 -3.121 -3.879) 6.874 5.369 ( 4.739 3.121 -3.879) 6.874 5.587 ( -11.464 -5.207 8.793) 15.358 5.587 ( -11.464 5.207 8.793) 15.358 5.778 ( -14.963 -4.742 -6.659) 17.050 5.778 ( -14.963 4.742 -6.659) 17.050 7.048 ( 21.124 -1.507 0.233) 21.179 7.048 ( 21.124 1.507 0.233) 21.179 7.730 ( -9.555 -0.678 2.141) 9.815 7.730 ( -9.555 0.678 2.141) 9.815 8.937 ( 5.282 -7.567 2.041) 9.451 8.937 ( 5.282 7.567 2.041) 9.451 9.104 ( -2.152 -7.823 -3.142) 8.701 9.104 ( -2.152 7.823 -3.142) 8.701 9.952 ( 4.834 -2.275 -1.433) 5.532 9.952 ( 4.834 2.275 -1.433) 5.532 10.148 ( -0.416 -6.979 -0.674) 7.024 10.148 ( -0.416 6.979 -0.674) 7.024 11.377 ( 5.426 -6.113 4.179) 9.180 11.377 ( 5.426 6.113 4.179) 9.180 11.657 ( -2.000 -13.646 6.244) 15.139 11.657 ( -2.000 13.646 6.244) 15.139 11.808 ( -0.000 -21.409 0.896) 21.427 11.808 ( -0.000 21.409 0.896) 21.427 11.972 ( -5.876 -16.659 -9.514) 20.064 11.972 ( -5.876 16.659 -9.514) 20.064 13.684 ( 9.941 -1.610 -0.602) 10.088 13.684 ( 9.941 1.610 -0.602) 10.088 14.073 ( -8.158 -1.948 -1.366) 8.498 14.073 ( -8.158 1.948 -1.366) 8.498 18.195 ( 0.556 -10.832 -0.114) 10.846 18.195 ( 0.556 10.832 -0.114) 10.847 18.218 ( -0.528 -10.185 -1.057) 10.253 18.218 ( -0.528 10.185 -1.057) 10.253 ======================= Grid point 475 (160/160) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.263 ( -13.946 -2.003 6.338) 15.449 5.263 ( -13.507 1.002 6.338) 14.954 5.263 ( 13.507 -1.002 6.338) 14.954 5.263 ( 13.946 2.003 6.338) 15.449 5.548 ( -7.268 -7.163 -5.645) 11.662 5.548 ( 2.065 -6.258 -5.645) 8.677 5.548 ( -2.065 6.258 -5.645) 8.677 5.548 ( 7.268 7.163 -5.645) 11.662 7.447 ( -15.988 -3.463 0.897) 16.383 7.447 ( -15.022 -2.122 0.897) 15.198 7.447 ( 15.022 2.122 0.897) 15.198 7.447 ( 15.988 3.463 0.897) 16.383 9.041 ( -3.290 -9.902 -0.360) 10.441 9.041 ( 2.107 -9.821 -0.360) 10.051 9.041 ( -2.107 9.821 -0.360) 10.051 9.041 ( 3.290 9.902 -0.360) 10.441 10.071 ( -2.868 -16.105 -0.468) 16.365 10.071 ( 0.741 -16.046 -0.468) 16.069 10.071 ( -0.741 16.046 -0.468) 16.070 10.071 ( 2.868 16.105 -0.468) 16.365 11.535 ( -6.174 -14.574 5.723) 16.830 11.535 ( 2.299 -14.289 5.723) 15.563 11.535 ( -2.299 14.289 5.723) 15.563 11.535 ( 6.174 14.574 5.723) 16.830 11.863 ( -3.087 -24.078 -5.158) 24.817 11.863 ( 2.516 -24.062 -5.158) 24.736 11.863 ( -2.516 24.062 -5.158) 24.736 11.863 ( 3.087 24.078 -5.158) 24.817 13.888 ( -6.480 -7.692 -1.046) 10.112 13.888 ( -3.566 -7.201 -1.046) 8.103 13.888 ( 3.566 7.201 -1.046) 8.103 13.888 ( 6.480 7.692 -1.046) 10.112 18.207 ( -0.372 -17.156 -0.586) 17.170 18.207 ( 0.359 -17.156 -0.586) 17.169 18.207 ( -0.359 17.156 -0.586) 17.169 18.207 ( 0.372 17.156 -0.586) 17.170 =================== 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 3/27216 10.0 1879.116 2056.127 1341.649 0.000 0.000 0.000 3/27216 20.0 1780.924 1654.907 1719.135 0.000 0.000 0.000 3/27216 30.0 731.691 755.381 761.566 0.000 0.000 0.000 3/27216 40.0 339.494 389.721 348.277 0.000 0.000 0.000 3/27216 50.0 189.060 233.428 189.489 0.000 0.000 0.000 3/27216 60.0 119.421 154.601 116.886 0.000 0.000 0.000 3/27216 70.0 82.115 109.622 78.686 0.000 0.000 0.000 3/27216 80.0 60.105 81.926 56.573 0.000 0.000 0.000 3/27216 90.0 46.177 63.899 42.825 0.000 0.000 0.000 3/27216 100.0 36.862 51.616 33.775 0.000 0.000 0.000 3/27216 110.0 30.345 42.911 27.530 0.000 0.000 0.000 3/27216 120.0 25.611 36.527 23.049 0.000 0.000 0.000 3/27216 130.0 22.060 31.705 19.723 0.000 0.000 0.000 3/27216 140.0 19.323 27.968 17.183 0.000 0.000 0.000 3/27216 150.0 17.164 25.005 15.196 0.000 0.000 0.000 3/27216 160.0 15.426 22.609 13.607 0.000 0.000 0.000 3/27216 170.0 14.002 20.637 12.314 0.000 0.000 0.000 3/27216 180.0 12.817 18.989 11.243 0.000 0.000 0.000 3/27216 190.0 11.817 17.594 10.345 0.000 0.000 0.000 3/27216 200.0 10.964 16.398 9.581 0.000 0.000 0.000 3/27216 210.0 10.228 15.362 8.924 0.000 0.000 0.000 3/27216 220.0 9.586 14.456 8.353 0.000 0.000 0.000 3/27216 230.0 9.023 13.656 7.854 0.000 0.000 0.000 3/27216 240.0 8.524 12.946 7.413 0.000 0.000 0.000 3/27216 250.0 8.079 12.310 7.020 0.000 0.000 0.000 3/27216 260.0 7.680 11.737 6.669 0.000 0.000 0.000 3/27216 270.0 7.320 11.219 6.353 0.000 0.000 0.000 3/27216 280.0 6.994 10.747 6.066 0.000 0.000 0.000 3/27216 290.0 6.697 10.316 5.806 0.000 0.000 0.000 3/27216 300.0 6.425 9.919 5.568 0.000 0.000 0.000 3/27216 310.0 6.175 9.554 5.349 0.000 0.000 0.000 3/27216 320.0 5.945 9.217 5.148 0.000 0.000 0.000 3/27216 330.0 5.732 8.903 4.963 0.000 0.000 0.000 3/27216 340.0 5.535 8.612 4.790 0.000 0.000 0.000 3/27216 350.0 5.351 8.339 4.630 0.000 0.000 0.000 3/27216 360.0 5.179 8.085 4.481 0.000 0.000 0.000 3/27216 370.0 5.019 7.846 4.341 0.000 0.000 0.000 3/27216 380.0 4.868 7.621 4.210 0.000 0.000 0.000 3/27216 390.0 4.727 7.410 4.088 0.000 0.000 0.000 3/27216 400.0 4.594 7.210 3.972 0.000 0.000 0.000 3/27216 410.0 4.469 7.022 3.863 0.000 0.000 0.000 3/27216 420.0 4.350 6.843 3.760 0.000 0.000 0.000 3/27216 430.0 4.238 6.674 3.663 0.000 0.000 0.000 3/27216 440.0 4.132 6.513 3.571 0.000 0.000 0.000 3/27216 450.0 4.031 6.360 3.483 0.000 0.000 0.000 3/27216 460.0 3.935 6.214 3.400 0.000 0.000 0.000 3/27216 470.0 3.844 6.075 3.321 0.000 0.000 0.000 3/27216 480.0 3.757 5.942 3.246 0.000 0.000 0.000 3/27216 490.0 3.674 5.815 3.174 0.000 0.000 0.000 3/27216 500.0 3.595 5.694 3.105 0.000 0.000 0.000 3/27216 510.0 3.519 5.577 3.039 0.000 0.000 0.000 3/27216 520.0 3.446 5.466 2.976 0.000 0.000 0.000 3/27216 530.0 3.377 5.359 2.916 0.000 0.000 0.000 3/27216 540.0 3.310 5.256 2.858 0.000 0.000 0.000 3/27216 550.0 3.246 5.157 2.803 0.000 0.000 0.000 3/27216 560.0 3.184 5.062 2.750 0.000 0.000 0.000 3/27216 570.0 3.125 4.970 2.698 0.000 0.000 0.000 3/27216 580.0 3.068 4.882 2.649 0.000 0.000 0.000 3/27216 590.0 3.013 4.797 2.601 0.000 0.000 0.000 3/27216 600.0 2.960 4.714 2.556 0.000 0.000 0.000 3/27216 610.0 2.909 4.635 2.511 0.000 0.000 0.000 3/27216 620.0 2.859 4.558 2.469 0.000 0.000 0.000 3/27216 630.0 2.812 4.484 2.428 0.000 0.000 0.000 3/27216 640.0 2.766 4.413 2.388 0.000 0.000 0.000 3/27216 650.0 2.721 4.343 2.349 0.000 0.000 0.000 3/27216 660.0 2.678 4.276 2.312 0.000 0.000 0.000 3/27216 670.0 2.637 4.211 2.276 0.000 0.000 0.000 3/27216 680.0 2.596 4.148 2.241 0.000 0.000 0.000 3/27216 690.0 2.557 4.086 2.207 0.000 0.000 0.000 3/27216 700.0 2.519 4.027 2.174 0.000 0.000 0.000 3/27216 710.0 2.482 3.969 2.143 0.000 0.000 0.000 3/27216 720.0 2.446 3.913 2.112 0.000 0.000 0.000 3/27216 730.0 2.412 3.859 2.082 0.000 0.000 0.000 3/27216 740.0 2.378 3.806 2.053 0.000 0.000 0.000 3/27216 750.0 2.345 3.754 2.024 0.000 0.000 0.000 3/27216 760.0 2.313 3.704 1.997 0.000 0.000 0.000 3/27216 770.0 2.282 3.655 1.970 0.000 0.000 0.000 3/27216 780.0 2.252 3.608 1.944 0.000 0.000 0.000 3/27216 790.0 2.223 3.562 1.918 0.000 0.000 0.000 3/27216 800.0 2.194 3.516 1.894 0.000 0.000 0.000 3/27216 810.0 2.166 3.473 1.870 0.000 0.000 0.000 3/27216 820.0 2.139 3.430 1.846 0.000 0.000 0.000 3/27216 830.0 2.113 3.388 1.823 0.000 0.000 0.000 3/27216 840.0 2.087 3.347 1.801 0.000 0.000 0.000 3/27216 850.0 2.062 3.307 1.779 0.000 0.000 0.000 3/27216 860.0 2.037 3.268 1.758 0.000 0.000 0.000 3/27216 870.0 2.013 3.231 1.737 0.000 0.000 0.000 3/27216 880.0 1.990 3.193 1.717 0.000 0.000 0.000 3/27216 890.0 1.967 3.157 1.697 0.000 0.000 0.000 3/27216 900.0 1.944 3.122 1.678 0.000 0.000 0.000 3/27216 910.0 1.923 3.087 1.659 0.000 0.000 0.000 3/27216 920.0 1.901 3.053 1.641 0.000 0.000 0.000 3/27216 930.0 1.880 3.020 1.623 0.000 0.000 0.000 3/27216 940.0 1.860 2.988 1.605 0.000 0.000 0.000 3/27216 950.0 1.840 2.956 1.588 0.000 0.000 0.000 3/27216 960.0 1.820 2.925 1.571 0.000 0.000 0.000 3/27216 970.0 1.801 2.895 1.554 0.000 0.000 0.000 3/27216 980.0 1.783 2.865 1.538 0.000 0.000 0.000 3/27216 990.0 1.764 2.836 1.522 0.000 0.000 0.000 3/27216 1000.0 1.746 2.807 1.507 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m6149.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:14:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|