----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:15:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 8.102787019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.934760560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.829203000000000 Atomic positions (fractional): *1 Bi 0.11180009987820 0.25000000000000 0.29008225354704 208.980 2 Bi 0.38819990012180 0.75000000000000 0.79008225354704 208.980 3 Bi 0.61180009987820 0.25000000000000 0.20991774645296 208.980 4 Bi 0.88819990012180 0.75000000000000 0.70991774645296 208.980 *5 O 0.11458345495082 0.75000000000000 0.48740214822070 15.999 6 O 0.38541654504918 0.25000000000000 0.98740214822070 15.999 7 O 0.61458345495082 0.75000000000000 0.01259785177930 15.999 8 O 0.88541654504918 0.25000000000000 0.51259785177930 15.999 *9 F 0.12619005415407 0.75000000000000 0.97761305853793 18.998 10 F 0.37380994584593 0.25000000000000 0.47761305853793 18.998 11 F 0.62619005415407 0.75000000000000 0.52238694146207 18.998 12 F 0.87380994584593 0.25000000000000 0.02238694146207 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.102787019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.934760560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.829203000000000 Atomic positions (fractional): *1 Bi 0.11180009987820 0.25000000000000 0.29008225354704 208.980 > 1 2 Bi 0.38819990012180 0.75000000000000 0.79008225354704 208.980 > 2 3 Bi 0.61180009987820 0.25000000000000 0.20991774645296 208.980 > 3 4 Bi 0.88819990012180 0.75000000000000 0.70991774645296 208.980 > 4 *5 O 0.11458345495082 0.75000000000000 0.48740214822070 15.999 > 5 6 O 0.38541654504918 0.25000000000000 0.98740214822070 15.999 > 6 7 O 0.61458345495082 0.75000000000000 0.01259785177930 15.999 > 7 8 O 0.88541654504918 0.25000000000000 0.51259785177930 15.999 > 8 *9 F 0.12619005415407 0.75000000000000 0.97761305853793 18.998 > 9 10 F 0.37380994584593 0.25000000000000 0.47761305853793 18.998 > 10 11 F 0.62619005415407 0.75000000000000 0.52238694146207 18.998 > 11 12 F 0.87380994584593 0.25000000000000 0.02238694146207 18.998 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.205574039999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.804281679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.658405999999999 Atomic positions (fractional): *1 Bi 0.05590004993910 0.08333333333333 0.14504112677352 208.980 > 1 2 Bi 0.55590004993910 0.08333333333333 0.14504112677352 208.980 > 1 3 Bi 0.05590004993910 0.41666666666667 0.14504112677352 208.980 > 1 4 Bi 0.55590004993910 0.41666666666667 0.14504112677352 208.980 > 1 5 Bi 0.05590004993910 0.75000000000000 0.14504112677352 208.980 > 1 6 Bi 0.55590004993910 0.75000000000000 0.14504112677352 208.980 > 1 7 Bi 0.05590004993910 0.08333333333333 0.64504112677352 208.980 > 1 8 Bi 0.55590004993910 0.08333333333333 0.64504112677352 208.980 > 1 9 Bi 0.05590004993910 0.41666666666667 0.64504112677352 208.980 > 1 10 Bi 0.55590004993910 0.41666666666667 0.64504112677352 208.980 > 1 11 Bi 0.05590004993910 0.75000000000000 0.64504112677352 208.980 > 1 12 Bi 0.55590004993910 0.75000000000000 0.64504112677352 208.980 > 1 13 Bi 0.19409995006090 0.25000000000000 0.39504112677352 208.980 > 2 14 Bi 0.69409995006090 0.25000000000000 0.39504112677352 208.980 > 2 15 Bi 0.19409995006090 0.58333333333333 0.39504112677352 208.980 > 2 16 Bi 0.69409995006090 0.58333333333333 0.39504112677352 208.980 > 2 17 Bi 0.19409995006090 0.91666666666667 0.39504112677352 208.980 > 2 18 Bi 0.69409995006090 0.91666666666667 0.39504112677352 208.980 > 2 19 Bi 0.19409995006090 0.25000000000000 0.89504112677352 208.980 > 2 20 Bi 0.69409995006090 0.25000000000000 0.89504112677352 208.980 > 2 21 Bi 0.19409995006090 0.58333333333333 0.89504112677352 208.980 > 2 22 Bi 0.69409995006090 0.58333333333333 0.89504112677352 208.980 > 2 23 Bi 0.19409995006090 0.91666666666667 0.89504112677352 208.980 > 2 24 Bi 0.69409995006090 0.91666666666667 0.89504112677352 208.980 > 2 25 Bi 0.30590004993910 0.08333333333333 0.10495887322648 208.980 > 3 26 Bi 0.80590004993910 0.08333333333333 0.10495887322648 208.980 > 3 27 Bi 0.30590004993910 0.41666666666667 0.10495887322648 208.980 > 3 28 Bi 0.80590004993910 0.41666666666667 0.10495887322648 208.980 > 3 29 Bi 0.30590004993910 0.75000000000000 0.10495887322648 208.980 > 3 30 Bi 0.80590004993910 0.75000000000000 0.10495887322648 208.980 > 3 31 Bi 0.30590004993910 0.08333333333333 0.60495887322648 208.980 > 3 32 Bi 0.80590004993910 0.08333333333333 0.60495887322648 208.980 > 3 33 Bi 0.30590004993910 0.41666666666667 0.60495887322648 208.980 > 3 34 Bi 0.80590004993910 0.41666666666667 0.60495887322648 208.980 > 3 35 Bi 0.30590004993910 0.75000000000000 0.60495887322648 208.980 > 3 36 Bi 0.80590004993910 0.75000000000000 0.60495887322648 208.980 > 3 37 Bi 0.44409995006090 0.25000000000000 0.35495887322648 208.980 > 4 38 Bi 0.94409995006090 0.25000000000000 0.35495887322648 208.980 > 4 39 Bi 0.44409995006090 0.58333333333333 0.35495887322648 208.980 > 4 40 Bi 0.94409995006090 0.58333333333333 0.35495887322648 208.980 > 4 41 Bi 0.44409995006090 0.91666666666667 0.35495887322648 208.980 > 4 42 Bi 0.94409995006090 0.91666666666667 0.35495887322648 208.980 > 4 43 Bi 0.44409995006090 0.25000000000000 0.85495887322648 208.980 > 4 44 Bi 0.94409995006090 0.25000000000000 0.85495887322648 208.980 > 4 45 Bi 0.44409995006090 0.58333333333333 0.85495887322648 208.980 > 4 46 Bi 0.94409995006090 0.58333333333333 0.85495887322648 208.980 > 4 47 Bi 0.44409995006090 0.91666666666667 0.85495887322648 208.980 > 4 48 Bi 0.94409995006090 0.91666666666667 0.85495887322648 208.980 > 4 *49 O 0.05729172747541 0.25000000000000 0.24370107411035 15.999 > 5 50 O 0.55729172747541 0.25000000000000 0.24370107411035 15.999 > 5 51 O 0.05729172747541 0.58333333333333 0.24370107411035 15.999 > 5 52 O 0.55729172747541 0.58333333333333 0.24370107411035 15.999 > 5 53 O 0.05729172747541 0.91666666666667 0.24370107411035 15.999 > 5 54 O 0.55729172747541 0.91666666666667 0.24370107411035 15.999 > 5 55 O 0.05729172747541 0.25000000000000 0.74370107411035 15.999 > 5 56 O 0.55729172747541 0.25000000000000 0.74370107411035 15.999 > 5 57 O 0.05729172747541 0.58333333333333 0.74370107411035 15.999 > 5 58 O 0.55729172747541 0.58333333333333 0.74370107411035 15.999 > 5 59 O 0.05729172747541 0.91666666666667 0.74370107411035 15.999 > 5 60 O 0.55729172747541 0.91666666666667 0.74370107411035 15.999 > 5 61 O 0.19270827252459 0.08333333333333 0.49370107411035 15.999 > 6 62 O 0.69270827252459 0.08333333333333 0.49370107411035 15.999 > 6 63 O 0.19270827252459 0.41666666666667 0.49370107411035 15.999 > 6 64 O 0.69270827252459 0.41666666666667 0.49370107411035 15.999 > 6 65 O 0.19270827252459 0.75000000000000 0.49370107411035 15.999 > 6 66 O 0.69270827252459 0.75000000000000 0.49370107411035 15.999 > 6 67 O 0.19270827252459 0.08333333333333 0.99370107411035 15.999 > 6 68 O 0.69270827252459 0.08333333333333 0.99370107411035 15.999 > 6 69 O 0.19270827252459 0.41666666666667 0.99370107411035 15.999 > 6 70 O 0.69270827252459 0.41666666666667 0.99370107411035 15.999 > 6 71 O 0.19270827252459 0.75000000000000 0.99370107411035 15.999 > 6 72 O 0.69270827252459 0.75000000000000 0.99370107411035 15.999 > 6 73 O 0.30729172747541 0.25000000000000 0.00629892588965 15.999 > 7 74 O 0.80729172747541 0.25000000000000 0.00629892588965 15.999 > 7 75 O 0.30729172747541 0.58333333333333 0.00629892588965 15.999 > 7 76 O 0.80729172747541 0.58333333333333 0.00629892588965 15.999 > 7 77 O 0.30729172747541 0.91666666666667 0.00629892588965 15.999 > 7 78 O 0.80729172747541 0.91666666666667 0.00629892588965 15.999 > 7 79 O 0.30729172747541 0.25000000000000 0.50629892588965 15.999 > 7 80 O 0.80729172747541 0.25000000000000 0.50629892588965 15.999 > 7 81 O 0.30729172747541 0.58333333333333 0.50629892588965 15.999 > 7 82 O 0.80729172747541 0.58333333333333 0.50629892588965 15.999 > 7 83 O 0.30729172747541 0.91666666666667 0.50629892588965 15.999 > 7 84 O 0.80729172747541 0.91666666666667 0.50629892588965 15.999 > 7 85 O 0.44270827252459 0.08333333333333 0.25629892588965 15.999 > 8 86 O 0.94270827252459 0.08333333333333 0.25629892588965 15.999 > 8 87 O 0.44270827252459 0.41666666666667 0.25629892588965 15.999 > 8 88 O 0.94270827252459 0.41666666666667 0.25629892588965 15.999 > 8 89 O 0.44270827252459 0.75000000000000 0.25629892588965 15.999 > 8 90 O 0.94270827252459 0.75000000000000 0.25629892588965 15.999 > 8 91 O 0.44270827252459 0.08333333333333 0.75629892588965 15.999 > 8 92 O 0.94270827252459 0.08333333333333 0.75629892588965 15.999 > 8 93 O 0.44270827252459 0.41666666666667 0.75629892588965 15.999 > 8 94 O 0.94270827252459 0.41666666666667 0.75629892588965 15.999 > 8 95 O 0.44270827252459 0.75000000000000 0.75629892588965 15.999 > 8 96 O 0.94270827252459 0.75000000000000 0.75629892588965 15.999 > 8 *97 F 0.06309502707703 0.25000000000000 0.48880652926896 18.998 > 9 98 F 0.56309502707703 0.25000000000000 0.48880652926896 18.998 > 9 99 F 0.06309502707703 0.58333333333333 0.48880652926896 18.998 > 9 100 F 0.56309502707703 0.58333333333333 0.48880652926896 18.998 > 9 101 F 0.06309502707703 0.91666666666667 0.48880652926896 18.998 > 9 102 F 0.56309502707703 0.91666666666667 0.48880652926896 18.998 > 9 103 F 0.06309502707703 0.25000000000000 0.98880652926896 18.998 > 9 104 F 0.56309502707703 0.25000000000000 0.98880652926896 18.998 > 9 105 F 0.06309502707703 0.58333333333333 0.98880652926896 18.998 > 9 106 F 0.56309502707703 0.58333333333333 0.98880652926896 18.998 > 9 107 F 0.06309502707703 0.91666666666667 0.98880652926896 18.998 > 9 108 F 0.56309502707703 0.91666666666667 0.98880652926896 18.998 > 9 109 F 0.18690497292297 0.08333333333333 0.23880652926896 18.998 > 10 110 F 0.68690497292297 0.08333333333333 0.23880652926896 18.998 > 10 111 F 0.18690497292297 0.41666666666667 0.23880652926896 18.998 > 10 112 F 0.68690497292297 0.41666666666667 0.23880652926896 18.998 > 10 113 F 0.18690497292297 0.75000000000000 0.23880652926896 18.998 > 10 114 F 0.68690497292297 0.75000000000000 0.23880652926896 18.998 > 10 115 F 0.18690497292297 0.08333333333333 0.73880652926896 18.998 > 10 116 F 0.68690497292297 0.08333333333333 0.73880652926896 18.998 > 10 117 F 0.18690497292297 0.41666666666667 0.73880652926896 18.998 > 10 118 F 0.68690497292297 0.41666666666667 0.73880652926896 18.998 > 10 119 F 0.18690497292297 0.75000000000000 0.73880652926896 18.998 > 10 120 F 0.68690497292297 0.75000000000000 0.73880652926896 18.998 > 10 121 F 0.31309502707703 0.25000000000000 0.26119347073104 18.998 > 11 122 F 0.81309502707703 0.25000000000000 0.26119347073104 18.998 > 11 123 F 0.31309502707703 0.58333333333333 0.26119347073104 18.998 > 11 124 F 0.81309502707703 0.58333333333333 0.26119347073104 18.998 > 11 125 F 0.31309502707703 0.91666666666667 0.26119347073104 18.998 > 11 126 F 0.81309502707703 0.91666666666667 0.26119347073104 18.998 > 11 127 F 0.31309502707703 0.25000000000000 0.76119347073104 18.998 > 11 128 F 0.81309502707703 0.25000000000000 0.76119347073104 18.998 > 11 129 F 0.31309502707703 0.58333333333333 0.76119347073104 18.998 > 11 130 F 0.81309502707703 0.58333333333333 0.76119347073104 18.998 > 11 131 F 0.31309502707703 0.91666666666667 0.76119347073104 18.998 > 11 132 F 0.81309502707703 0.91666666666667 0.76119347073104 18.998 > 11 133 F 0.43690497292297 0.08333333333333 0.01119347073104 18.998 > 12 134 F 0.93690497292297 0.08333333333333 0.01119347073104 18.998 > 12 135 F 0.43690497292297 0.41666666666667 0.01119347073104 18.998 > 12 136 F 0.93690497292297 0.41666666666667 0.01119347073104 18.998 > 12 137 F 0.43690497292297 0.75000000000000 0.01119347073104 18.998 > 12 138 F 0.93690497292297 0.75000000000000 0.01119347073104 18.998 > 12 139 F 0.43690497292297 0.08333333333333 0.51119347073104 18.998 > 12 140 F 0.93690497292297 0.08333333333333 0.51119347073104 18.998 > 12 141 F 0.43690497292297 0.41666666666667 0.51119347073104 18.998 > 12 142 F 0.93690497292297 0.41666666666667 0.51119347073104 18.998 > 12 143 F 0.43690497292297 0.75000000000000 0.51119347073104 18.998 > 12 144 F 0.93690497292297 0.75000000000000 0.51119347073104 18.998 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5637609 0.0000000 0.0000000 0.0000000 5.2660621 0.0000000 0.0000000 0.0000000 4.3829143 -------------------------- Born effective charges -------------------------- 1 Bi 4.2465122 0.0000000 -0.4751946 0.0000000 4.7757758 0.0000000 -0.1816796 0.0000000 3.9031588 2 Bi 4.2465122 0.0000000 0.4751946 0.0000000 4.7757758 0.0000000 0.1816796 0.0000000 3.9031588 3 Bi 4.2465122 0.0000000 0.4751946 0.0000000 4.7757758 0.0000000 0.1816796 0.0000000 3.9031588 4 Bi 4.2465122 0.0000000 -0.4751946 0.0000000 4.7757758 0.0000000 -0.1816796 0.0000000 3.9031588 5 O -2.1671167 0.0000000 0.4172511 0.0000000 -3.4075476 0.0000000 0.2854837 0.0000000 -1.9867758 6 O -2.1671167 0.0000000 -0.4172511 0.0000000 -3.4075476 0.0000000 -0.2854837 0.0000000 -1.9867758 7 O -2.1671167 0.0000000 -0.4172511 0.0000000 -3.4075476 0.0000000 -0.2854837 0.0000000 -1.9867758 8 O -2.1671167 0.0000000 0.4172511 0.0000000 -3.4075476 0.0000000 0.2854837 0.0000000 -1.9867758 9 F -2.0793955 0.0000000 0.1879554 0.0000000 -1.3682282 0.0000000 -0.1990724 0.0000000 -1.9163831 10 F -2.0793955 0.0000000 -0.1879554 0.0000000 -1.3682282 0.0000000 0.1990724 0.0000000 -1.9163831 11 F -2.0793955 0.0000000 -0.1879554 0.0000000 -1.3682282 0.0000000 0.1990724 0.0000000 -1.9163831 12 F -2.0793955 0.0000000 0.1879554 0.0000000 -1.3682282 0.0000000 -0.1990724 0.0000000 -1.9163831 ---------------------------------------------------------------------------- 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): 0.007 Solver_block: 100 / 240 - Time: 1.524 Solver_block: 200 / 240 - Time: 1.580 Solver_block: 240 / 240 - Time: 0.706 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.839 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-09 00:15:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:15:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.102787019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.934760560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.829203000000000 Atomic positions (fractional): 1 Bi 0.11180009987820 0.25000000000000 0.29008225354704 208.980 2 Bi 0.38819990012180 0.75000000000000 0.79008225354704 208.980 3 Bi 0.61180009987820 0.25000000000000 0.20991774645296 208.980 4 Bi 0.88819990012180 0.75000000000000 0.70991774645296 208.980 5 O 0.11458345495082 0.75000000000000 0.48740214822070 15.999 6 O 0.38541654504918 0.25000000000000 0.98740214822070 15.999 7 O 0.61458345495082 0.75000000000000 0.01259785177930 15.999 8 O 0.88541654504918 0.25000000000000 0.51259785177930 15.999 9 F 0.12619005415407 0.75000000000000 0.97761305853793 18.998 10 F 0.37380994584593 0.25000000000000 0.47761305853793 18.998 11 F 0.62619005415407 0.75000000000000 0.52238694146207 18.998 12 F 0.87380994584593 0.25000000000000 0.02238694146207 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.205574039999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.804281679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.658405999999999 Atomic positions (fractional): 1 Bi 0.05590004993910 0.08333333333333 0.14504112677352 208.980 > 1 2 Bi 0.55590004993910 0.08333333333333 0.14504112677352 208.980 > 1 3 Bi 0.05590004993910 0.41666666666667 0.14504112677352 208.980 > 1 4 Bi 0.55590004993910 0.41666666666667 0.14504112677352 208.980 > 1 5 Bi 0.05590004993910 0.75000000000000 0.14504112677352 208.980 > 1 6 Bi 0.55590004993910 0.75000000000000 0.14504112677352 208.980 > 1 7 Bi 0.05590004993910 0.08333333333333 0.64504112677352 208.980 > 1 8 Bi 0.55590004993910 0.08333333333333 0.64504112677352 208.980 > 1 9 Bi 0.05590004993910 0.41666666666667 0.64504112677352 208.980 > 1 10 Bi 0.55590004993910 0.41666666666667 0.64504112677352 208.980 > 1 11 Bi 0.05590004993910 0.75000000000000 0.64504112677352 208.980 > 1 12 Bi 0.55590004993910 0.75000000000000 0.64504112677352 208.980 > 1 13 Bi 0.19409995006090 0.25000000000000 0.39504112677352 208.980 > 13 14 Bi 0.69409995006090 0.25000000000000 0.39504112677352 208.980 > 13 15 Bi 0.19409995006090 0.58333333333333 0.39504112677352 208.980 > 13 16 Bi 0.69409995006090 0.58333333333333 0.39504112677352 208.980 > 13 17 Bi 0.19409995006090 0.91666666666667 0.39504112677352 208.980 > 13 18 Bi 0.69409995006090 0.91666666666667 0.39504112677352 208.980 > 13 19 Bi 0.19409995006090 0.25000000000000 0.89504112677352 208.980 > 13 20 Bi 0.69409995006090 0.25000000000000 0.89504112677352 208.980 > 13 21 Bi 0.19409995006090 0.58333333333333 0.89504112677352 208.980 > 13 22 Bi 0.69409995006090 0.58333333333333 0.89504112677352 208.980 > 13 23 Bi 0.19409995006090 0.91666666666667 0.89504112677352 208.980 > 13 24 Bi 0.69409995006090 0.91666666666667 0.89504112677352 208.980 > 13 25 Bi 0.30590004993910 0.08333333333333 0.10495887322648 208.980 > 25 26 Bi 0.80590004993910 0.08333333333333 0.10495887322648 208.980 > 25 27 Bi 0.30590004993910 0.41666666666667 0.10495887322648 208.980 > 25 28 Bi 0.80590004993910 0.41666666666667 0.10495887322648 208.980 > 25 29 Bi 0.30590004993910 0.75000000000000 0.10495887322648 208.980 > 25 30 Bi 0.80590004993910 0.75000000000000 0.10495887322648 208.980 > 25 31 Bi 0.30590004993910 0.08333333333333 0.60495887322648 208.980 > 25 32 Bi 0.80590004993910 0.08333333333333 0.60495887322648 208.980 > 25 33 Bi 0.30590004993910 0.41666666666667 0.60495887322648 208.980 > 25 34 Bi 0.80590004993910 0.41666666666667 0.60495887322648 208.980 > 25 35 Bi 0.30590004993910 0.75000000000000 0.60495887322648 208.980 > 25 36 Bi 0.80590004993910 0.75000000000000 0.60495887322648 208.980 > 25 37 Bi 0.44409995006090 0.25000000000000 0.35495887322648 208.980 > 37 38 Bi 0.94409995006090 0.25000000000000 0.35495887322648 208.980 > 37 39 Bi 0.44409995006090 0.58333333333333 0.35495887322648 208.980 > 37 40 Bi 0.94409995006090 0.58333333333333 0.35495887322648 208.980 > 37 41 Bi 0.44409995006090 0.91666666666667 0.35495887322648 208.980 > 37 42 Bi 0.94409995006090 0.91666666666667 0.35495887322648 208.980 > 37 43 Bi 0.44409995006090 0.25000000000000 0.85495887322648 208.980 > 37 44 Bi 0.94409995006090 0.25000000000000 0.85495887322648 208.980 > 37 45 Bi 0.44409995006090 0.58333333333333 0.85495887322648 208.980 > 37 46 Bi 0.94409995006090 0.58333333333333 0.85495887322648 208.980 > 37 47 Bi 0.44409995006090 0.91666666666667 0.85495887322648 208.980 > 37 48 Bi 0.94409995006090 0.91666666666667 0.85495887322648 208.980 > 37 49 O 0.05729172747541 0.25000000000000 0.24370107411035 15.999 > 49 50 O 0.55729172747541 0.25000000000000 0.24370107411035 15.999 > 49 51 O 0.05729172747541 0.58333333333333 0.24370107411035 15.999 > 49 52 O 0.55729172747541 0.58333333333333 0.24370107411035 15.999 > 49 53 O 0.05729172747541 0.91666666666667 0.24370107411035 15.999 > 49 54 O 0.55729172747541 0.91666666666667 0.24370107411035 15.999 > 49 55 O 0.05729172747541 0.25000000000000 0.74370107411035 15.999 > 49 56 O 0.55729172747541 0.25000000000000 0.74370107411035 15.999 > 49 57 O 0.05729172747541 0.58333333333333 0.74370107411035 15.999 > 49 58 O 0.55729172747541 0.58333333333333 0.74370107411035 15.999 > 49 59 O 0.05729172747541 0.91666666666667 0.74370107411035 15.999 > 49 60 O 0.55729172747541 0.91666666666667 0.74370107411035 15.999 > 49 61 O 0.19270827252459 0.08333333333333 0.49370107411035 15.999 > 61 62 O 0.69270827252459 0.08333333333333 0.49370107411035 15.999 > 61 63 O 0.19270827252459 0.41666666666667 0.49370107411035 15.999 > 61 64 O 0.69270827252459 0.41666666666667 0.49370107411035 15.999 > 61 65 O 0.19270827252459 0.75000000000000 0.49370107411035 15.999 > 61 66 O 0.69270827252459 0.75000000000000 0.49370107411035 15.999 > 61 67 O 0.19270827252459 0.08333333333333 0.99370107411035 15.999 > 61 68 O 0.69270827252459 0.08333333333333 0.99370107411035 15.999 > 61 69 O 0.19270827252459 0.41666666666667 0.99370107411035 15.999 > 61 70 O 0.69270827252459 0.41666666666667 0.99370107411035 15.999 > 61 71 O 0.19270827252459 0.75000000000000 0.99370107411035 15.999 > 61 72 O 0.69270827252459 0.75000000000000 0.99370107411035 15.999 > 61 73 O 0.30729172747541 0.25000000000000 0.00629892588965 15.999 > 73 74 O 0.80729172747541 0.25000000000000 0.00629892588965 15.999 > 73 75 O 0.30729172747541 0.58333333333333 0.00629892588965 15.999 > 73 76 O 0.80729172747541 0.58333333333333 0.00629892588965 15.999 > 73 77 O 0.30729172747541 0.91666666666667 0.00629892588965 15.999 > 73 78 O 0.80729172747541 0.91666666666667 0.00629892588965 15.999 > 73 79 O 0.30729172747541 0.25000000000000 0.50629892588965 15.999 > 73 80 O 0.80729172747541 0.25000000000000 0.50629892588965 15.999 > 73 81 O 0.30729172747541 0.58333333333333 0.50629892588965 15.999 > 73 82 O 0.80729172747541 0.58333333333333 0.50629892588965 15.999 > 73 83 O 0.30729172747541 0.91666666666667 0.50629892588965 15.999 > 73 84 O 0.80729172747541 0.91666666666667 0.50629892588965 15.999 > 73 85 O 0.44270827252459 0.08333333333333 0.25629892588965 15.999 > 85 86 O 0.94270827252459 0.08333333333333 0.25629892588965 15.999 > 85 87 O 0.44270827252459 0.41666666666667 0.25629892588965 15.999 > 85 88 O 0.94270827252459 0.41666666666667 0.25629892588965 15.999 > 85 89 O 0.44270827252459 0.75000000000000 0.25629892588965 15.999 > 85 90 O 0.94270827252459 0.75000000000000 0.25629892588965 15.999 > 85 91 O 0.44270827252459 0.08333333333333 0.75629892588965 15.999 > 85 92 O 0.94270827252459 0.08333333333333 0.75629892588965 15.999 > 85 93 O 0.44270827252459 0.41666666666667 0.75629892588965 15.999 > 85 94 O 0.94270827252459 0.41666666666667 0.75629892588965 15.999 > 85 95 O 0.44270827252459 0.75000000000000 0.75629892588965 15.999 > 85 96 O 0.94270827252459 0.75000000000000 0.75629892588965 15.999 > 85 97 F 0.06309502707703 0.25000000000000 0.48880652926896 18.998 > 97 98 F 0.56309502707703 0.25000000000000 0.48880652926896 18.998 > 97 99 F 0.06309502707703 0.58333333333333 0.48880652926896 18.998 > 97 100 F 0.56309502707703 0.58333333333333 0.48880652926896 18.998 > 97 101 F 0.06309502707703 0.91666666666667 0.48880652926896 18.998 > 97 102 F 0.56309502707703 0.91666666666667 0.48880652926896 18.998 > 97 103 F 0.06309502707703 0.25000000000000 0.98880652926896 18.998 > 97 104 F 0.56309502707703 0.25000000000000 0.98880652926896 18.998 > 97 105 F 0.06309502707703 0.58333333333333 0.98880652926896 18.998 > 97 106 F 0.56309502707703 0.58333333333333 0.98880652926896 18.998 > 97 107 F 0.06309502707703 0.91666666666667 0.98880652926896 18.998 > 97 108 F 0.56309502707703 0.91666666666667 0.98880652926896 18.998 > 97 109 F 0.18690497292297 0.08333333333333 0.23880652926896 18.998 > 109 110 F 0.68690497292297 0.08333333333333 0.23880652926896 18.998 > 109 111 F 0.18690497292297 0.41666666666667 0.23880652926896 18.998 > 109 112 F 0.68690497292297 0.41666666666667 0.23880652926896 18.998 > 109 113 F 0.18690497292297 0.75000000000000 0.23880652926896 18.998 > 109 114 F 0.68690497292297 0.75000000000000 0.23880652926896 18.998 > 109 115 F 0.18690497292297 0.08333333333333 0.73880652926896 18.998 > 109 116 F 0.68690497292297 0.08333333333333 0.73880652926896 18.998 > 109 117 F 0.18690497292297 0.41666666666667 0.73880652926896 18.998 > 109 118 F 0.68690497292297 0.41666666666667 0.73880652926896 18.998 > 109 119 F 0.18690497292297 0.75000000000000 0.73880652926896 18.998 > 109 120 F 0.68690497292297 0.75000000000000 0.73880652926896 18.998 > 109 121 F 0.31309502707703 0.25000000000000 0.26119347073104 18.998 > 121 122 F 0.81309502707703 0.25000000000000 0.26119347073104 18.998 > 121 123 F 0.31309502707703 0.58333333333333 0.26119347073104 18.998 > 121 124 F 0.81309502707703 0.58333333333333 0.26119347073104 18.998 > 121 125 F 0.31309502707703 0.91666666666667 0.26119347073104 18.998 > 121 126 F 0.81309502707703 0.91666666666667 0.26119347073104 18.998 > 121 127 F 0.31309502707703 0.25000000000000 0.76119347073104 18.998 > 121 128 F 0.81309502707703 0.25000000000000 0.76119347073104 18.998 > 121 129 F 0.31309502707703 0.58333333333333 0.76119347073104 18.998 > 121 130 F 0.81309502707703 0.58333333333333 0.76119347073104 18.998 > 121 131 F 0.31309502707703 0.91666666666667 0.76119347073104 18.998 > 121 132 F 0.81309502707703 0.91666666666667 0.76119347073104 18.998 > 121 133 F 0.43690497292297 0.08333333333333 0.01119347073104 18.998 > 133 134 F 0.93690497292297 0.08333333333333 0.01119347073104 18.998 > 133 135 F 0.43690497292297 0.41666666666667 0.01119347073104 18.998 > 133 136 F 0.93690497292297 0.41666666666667 0.01119347073104 18.998 > 133 137 F 0.43690497292297 0.75000000000000 0.01119347073104 18.998 > 133 138 F 0.93690497292297 0.75000000000000 0.01119347073104 18.998 > 133 139 F 0.43690497292297 0.08333333333333 0.51119347073104 18.998 > 133 140 F 0.93690497292297 0.08333333333333 0.51119347073104 18.998 > 133 141 F 0.43690497292297 0.41666666666667 0.51119347073104 18.998 > 133 142 F 0.93690497292297 0.41666666666667 0.51119347073104 18.998 > 133 143 F 0.43690497292297 0.75000000000000 0.51119347073104 18.998 > 133 144 F 0.93690497292297 0.75000000000000 0.51119347073104 18.998 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5637609 0.0000000 0.0000000 0.0000000 5.2660621 0.0000000 0.0000000 0.0000000 4.3829143 -------------------------- Born effective charges -------------------------- 1 Bi 4.2465122 0.0000000 -0.4751946 0.0000000 4.7757758 0.0000000 -0.1816796 0.0000000 3.9031588 2 Bi 4.2465122 0.0000000 0.4751946 0.0000000 4.7757758 0.0000000 0.1816796 0.0000000 3.9031588 3 Bi 4.2465122 0.0000000 0.4751946 0.0000000 4.7757758 0.0000000 0.1816796 0.0000000 3.9031588 4 Bi 4.2465122 0.0000000 -0.4751946 0.0000000 4.7757758 0.0000000 -0.1816796 0.0000000 3.9031588 5 O -2.1671167 0.0000000 0.4172511 0.0000000 -3.4075476 0.0000000 0.2854837 0.0000000 -1.9867758 6 O -2.1671167 0.0000000 -0.4172511 0.0000000 -3.4075476 0.0000000 -0.2854837 0.0000000 -1.9867758 7 O -2.1671167 0.0000000 -0.4172511 0.0000000 -3.4075476 0.0000000 -0.2854837 0.0000000 -1.9867758 8 O -2.1671167 0.0000000 0.4172511 0.0000000 -3.4075476 0.0000000 0.2854837 0.0000000 -1.9867758 9 F -2.0793955 0.0000000 0.1879554 0.0000000 -1.3682282 0.0000000 -0.1990724 0.0000000 -1.9163831 10 F -2.0793955 0.0000000 -0.1879554 0.0000000 -1.3682282 0.0000000 0.1990724 0.0000000 -1.9163831 11 F -2.0793955 0.0000000 -0.1879554 0.0000000 -1.3682282 0.0000000 0.1990724 0.0000000 -1.9163831 12 F -2.0793955 0.0000000 0.1879554 0.0000000 -1.3682282 0.0000000 -0.1990724 0.0000000 -1.9163831 ---------------------------------------------------------------------------- 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 2026-01-09 00:16:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:16:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.102787019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.934760560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.829203000000000 Atomic positions (fractional): 1 Bi 0.11180009987820 0.25000000000000 0.29008225354704 208.980 2 Bi 0.38819990012180 0.75000000000000 0.79008225354704 208.980 3 Bi 0.61180009987820 0.25000000000000 0.20991774645296 208.980 4 Bi 0.88819990012180 0.75000000000000 0.70991774645296 208.980 5 O 0.11458345495082 0.75000000000000 0.48740214822070 15.999 6 O 0.38541654504918 0.25000000000000 0.98740214822070 15.999 7 O 0.61458345495082 0.75000000000000 0.01259785177930 15.999 8 O 0.88541654504918 0.25000000000000 0.51259785177930 15.999 9 F 0.12619005415407 0.75000000000000 0.97761305853793 18.998 10 F 0.37380994584593 0.25000000000000 0.47761305853793 18.998 11 F 0.62619005415407 0.75000000000000 0.52238694146207 18.998 12 F 0.87380994584593 0.25000000000000 0.02238694146207 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.205574039999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.804281679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.658405999999999 Atomic positions (fractional): 1 Bi 0.05590004993910 0.08333333333333 0.14504112677352 208.980 > 1 2 Bi 0.55590004993910 0.08333333333333 0.14504112677352 208.980 > 1 3 Bi 0.05590004993910 0.41666666666667 0.14504112677352 208.980 > 1 4 Bi 0.55590004993910 0.41666666666667 0.14504112677352 208.980 > 1 5 Bi 0.05590004993910 0.75000000000000 0.14504112677352 208.980 > 1 6 Bi 0.55590004993910 0.75000000000000 0.14504112677352 208.980 > 1 7 Bi 0.05590004993910 0.08333333333333 0.64504112677352 208.980 > 1 8 Bi 0.55590004993910 0.08333333333333 0.64504112677352 208.980 > 1 9 Bi 0.05590004993910 0.41666666666667 0.64504112677352 208.980 > 1 10 Bi 0.55590004993910 0.41666666666667 0.64504112677352 208.980 > 1 11 Bi 0.05590004993910 0.75000000000000 0.64504112677352 208.980 > 1 12 Bi 0.55590004993910 0.75000000000000 0.64504112677352 208.980 > 1 13 Bi 0.19409995006090 0.25000000000000 0.39504112677352 208.980 > 13 14 Bi 0.69409995006090 0.25000000000000 0.39504112677352 208.980 > 13 15 Bi 0.19409995006090 0.58333333333333 0.39504112677352 208.980 > 13 16 Bi 0.69409995006090 0.58333333333333 0.39504112677352 208.980 > 13 17 Bi 0.19409995006090 0.91666666666667 0.39504112677352 208.980 > 13 18 Bi 0.69409995006090 0.91666666666667 0.39504112677352 208.980 > 13 19 Bi 0.19409995006090 0.25000000000000 0.89504112677352 208.980 > 13 20 Bi 0.69409995006090 0.25000000000000 0.89504112677352 208.980 > 13 21 Bi 0.19409995006090 0.58333333333333 0.89504112677352 208.980 > 13 22 Bi 0.69409995006090 0.58333333333333 0.89504112677352 208.980 > 13 23 Bi 0.19409995006090 0.91666666666667 0.89504112677352 208.980 > 13 24 Bi 0.69409995006090 0.91666666666667 0.89504112677352 208.980 > 13 25 Bi 0.30590004993910 0.08333333333333 0.10495887322648 208.980 > 25 26 Bi 0.80590004993910 0.08333333333333 0.10495887322648 208.980 > 25 27 Bi 0.30590004993910 0.41666666666667 0.10495887322648 208.980 > 25 28 Bi 0.80590004993910 0.41666666666667 0.10495887322648 208.980 > 25 29 Bi 0.30590004993910 0.75000000000000 0.10495887322648 208.980 > 25 30 Bi 0.80590004993910 0.75000000000000 0.10495887322648 208.980 > 25 31 Bi 0.30590004993910 0.08333333333333 0.60495887322648 208.980 > 25 32 Bi 0.80590004993910 0.08333333333333 0.60495887322648 208.980 > 25 33 Bi 0.30590004993910 0.41666666666667 0.60495887322648 208.980 > 25 34 Bi 0.80590004993910 0.41666666666667 0.60495887322648 208.980 > 25 35 Bi 0.30590004993910 0.75000000000000 0.60495887322648 208.980 > 25 36 Bi 0.80590004993910 0.75000000000000 0.60495887322648 208.980 > 25 37 Bi 0.44409995006090 0.25000000000000 0.35495887322648 208.980 > 37 38 Bi 0.94409995006090 0.25000000000000 0.35495887322648 208.980 > 37 39 Bi 0.44409995006090 0.58333333333333 0.35495887322648 208.980 > 37 40 Bi 0.94409995006090 0.58333333333333 0.35495887322648 208.980 > 37 41 Bi 0.44409995006090 0.91666666666667 0.35495887322648 208.980 > 37 42 Bi 0.94409995006090 0.91666666666667 0.35495887322648 208.980 > 37 43 Bi 0.44409995006090 0.25000000000000 0.85495887322648 208.980 > 37 44 Bi 0.94409995006090 0.25000000000000 0.85495887322648 208.980 > 37 45 Bi 0.44409995006090 0.58333333333333 0.85495887322648 208.980 > 37 46 Bi 0.94409995006090 0.58333333333333 0.85495887322648 208.980 > 37 47 Bi 0.44409995006090 0.91666666666667 0.85495887322648 208.980 > 37 48 Bi 0.94409995006090 0.91666666666667 0.85495887322648 208.980 > 37 49 O 0.05729172747541 0.25000000000000 0.24370107411035 15.999 > 49 50 O 0.55729172747541 0.25000000000000 0.24370107411035 15.999 > 49 51 O 0.05729172747541 0.58333333333333 0.24370107411035 15.999 > 49 52 O 0.55729172747541 0.58333333333333 0.24370107411035 15.999 > 49 53 O 0.05729172747541 0.91666666666667 0.24370107411035 15.999 > 49 54 O 0.55729172747541 0.91666666666667 0.24370107411035 15.999 > 49 55 O 0.05729172747541 0.25000000000000 0.74370107411035 15.999 > 49 56 O 0.55729172747541 0.25000000000000 0.74370107411035 15.999 > 49 57 O 0.05729172747541 0.58333333333333 0.74370107411035 15.999 > 49 58 O 0.55729172747541 0.58333333333333 0.74370107411035 15.999 > 49 59 O 0.05729172747541 0.91666666666667 0.74370107411035 15.999 > 49 60 O 0.55729172747541 0.91666666666667 0.74370107411035 15.999 > 49 61 O 0.19270827252459 0.08333333333333 0.49370107411035 15.999 > 61 62 O 0.69270827252459 0.08333333333333 0.49370107411035 15.999 > 61 63 O 0.19270827252459 0.41666666666667 0.49370107411035 15.999 > 61 64 O 0.69270827252459 0.41666666666667 0.49370107411035 15.999 > 61 65 O 0.19270827252459 0.75000000000000 0.49370107411035 15.999 > 61 66 O 0.69270827252459 0.75000000000000 0.49370107411035 15.999 > 61 67 O 0.19270827252459 0.08333333333333 0.99370107411035 15.999 > 61 68 O 0.69270827252459 0.08333333333333 0.99370107411035 15.999 > 61 69 O 0.19270827252459 0.41666666666667 0.99370107411035 15.999 > 61 70 O 0.69270827252459 0.41666666666667 0.99370107411035 15.999 > 61 71 O 0.19270827252459 0.75000000000000 0.99370107411035 15.999 > 61 72 O 0.69270827252459 0.75000000000000 0.99370107411035 15.999 > 61 73 O 0.30729172747541 0.25000000000000 0.00629892588965 15.999 > 73 74 O 0.80729172747541 0.25000000000000 0.00629892588965 15.999 > 73 75 O 0.30729172747541 0.58333333333333 0.00629892588965 15.999 > 73 76 O 0.80729172747541 0.58333333333333 0.00629892588965 15.999 > 73 77 O 0.30729172747541 0.91666666666667 0.00629892588965 15.999 > 73 78 O 0.80729172747541 0.91666666666667 0.00629892588965 15.999 > 73 79 O 0.30729172747541 0.25000000000000 0.50629892588965 15.999 > 73 80 O 0.80729172747541 0.25000000000000 0.50629892588965 15.999 > 73 81 O 0.30729172747541 0.58333333333333 0.50629892588965 15.999 > 73 82 O 0.80729172747541 0.58333333333333 0.50629892588965 15.999 > 73 83 O 0.30729172747541 0.91666666666667 0.50629892588965 15.999 > 73 84 O 0.80729172747541 0.91666666666667 0.50629892588965 15.999 > 73 85 O 0.44270827252459 0.08333333333333 0.25629892588965 15.999 > 85 86 O 0.94270827252459 0.08333333333333 0.25629892588965 15.999 > 85 87 O 0.44270827252459 0.41666666666667 0.25629892588965 15.999 > 85 88 O 0.94270827252459 0.41666666666667 0.25629892588965 15.999 > 85 89 O 0.44270827252459 0.75000000000000 0.25629892588965 15.999 > 85 90 O 0.94270827252459 0.75000000000000 0.25629892588965 15.999 > 85 91 O 0.44270827252459 0.08333333333333 0.75629892588965 15.999 > 85 92 O 0.94270827252459 0.08333333333333 0.75629892588965 15.999 > 85 93 O 0.44270827252459 0.41666666666667 0.75629892588965 15.999 > 85 94 O 0.94270827252459 0.41666666666667 0.75629892588965 15.999 > 85 95 O 0.44270827252459 0.75000000000000 0.75629892588965 15.999 > 85 96 O 0.94270827252459 0.75000000000000 0.75629892588965 15.999 > 85 97 F 0.06309502707703 0.25000000000000 0.48880652926896 18.998 > 97 98 F 0.56309502707703 0.25000000000000 0.48880652926896 18.998 > 97 99 F 0.06309502707703 0.58333333333333 0.48880652926896 18.998 > 97 100 F 0.56309502707703 0.58333333333333 0.48880652926896 18.998 > 97 101 F 0.06309502707703 0.91666666666667 0.48880652926896 18.998 > 97 102 F 0.56309502707703 0.91666666666667 0.48880652926896 18.998 > 97 103 F 0.06309502707703 0.25000000000000 0.98880652926896 18.998 > 97 104 F 0.56309502707703 0.25000000000000 0.98880652926896 18.998 > 97 105 F 0.06309502707703 0.58333333333333 0.98880652926896 18.998 > 97 106 F 0.56309502707703 0.58333333333333 0.98880652926896 18.998 > 97 107 F 0.06309502707703 0.91666666666667 0.98880652926896 18.998 > 97 108 F 0.56309502707703 0.91666666666667 0.98880652926896 18.998 > 97 109 F 0.18690497292297 0.08333333333333 0.23880652926896 18.998 > 109 110 F 0.68690497292297 0.08333333333333 0.23880652926896 18.998 > 109 111 F 0.18690497292297 0.41666666666667 0.23880652926896 18.998 > 109 112 F 0.68690497292297 0.41666666666667 0.23880652926896 18.998 > 109 113 F 0.18690497292297 0.75000000000000 0.23880652926896 18.998 > 109 114 F 0.68690497292297 0.75000000000000 0.23880652926896 18.998 > 109 115 F 0.18690497292297 0.08333333333333 0.73880652926896 18.998 > 109 116 F 0.68690497292297 0.08333333333333 0.73880652926896 18.998 > 109 117 F 0.18690497292297 0.41666666666667 0.73880652926896 18.998 > 109 118 F 0.68690497292297 0.41666666666667 0.73880652926896 18.998 > 109 119 F 0.18690497292297 0.75000000000000 0.73880652926896 18.998 > 109 120 F 0.68690497292297 0.75000000000000 0.73880652926896 18.998 > 109 121 F 0.31309502707703 0.25000000000000 0.26119347073104 18.998 > 121 122 F 0.81309502707703 0.25000000000000 0.26119347073104 18.998 > 121 123 F 0.31309502707703 0.58333333333333 0.26119347073104 18.998 > 121 124 F 0.81309502707703 0.58333333333333 0.26119347073104 18.998 > 121 125 F 0.31309502707703 0.91666666666667 0.26119347073104 18.998 > 121 126 F 0.81309502707703 0.91666666666667 0.26119347073104 18.998 > 121 127 F 0.31309502707703 0.25000000000000 0.76119347073104 18.998 > 121 128 F 0.81309502707703 0.25000000000000 0.76119347073104 18.998 > 121 129 F 0.31309502707703 0.58333333333333 0.76119347073104 18.998 > 121 130 F 0.81309502707703 0.58333333333333 0.76119347073104 18.998 > 121 131 F 0.31309502707703 0.91666666666667 0.76119347073104 18.998 > 121 132 F 0.81309502707703 0.91666666666667 0.76119347073104 18.998 > 121 133 F 0.43690497292297 0.08333333333333 0.01119347073104 18.998 > 133 134 F 0.93690497292297 0.08333333333333 0.01119347073104 18.998 > 133 135 F 0.43690497292297 0.41666666666667 0.01119347073104 18.998 > 133 136 F 0.93690497292297 0.41666666666667 0.01119347073104 18.998 > 133 137 F 0.43690497292297 0.75000000000000 0.01119347073104 18.998 > 133 138 F 0.93690497292297 0.75000000000000 0.01119347073104 18.998 > 133 139 F 0.43690497292297 0.08333333333333 0.51119347073104 18.998 > 133 140 F 0.93690497292297 0.08333333333333 0.51119347073104 18.998 > 133 141 F 0.43690497292297 0.41666666666667 0.51119347073104 18.998 > 133 142 F 0.93690497292297 0.41666666666667 0.51119347073104 18.998 > 133 143 F 0.43690497292297 0.75000000000000 0.51119347073104 18.998 > 133 144 F 0.93690497292297 0.75000000000000 0.51119347073104 18.998 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5637609 0.0000000 0.0000000 0.0000000 5.2660621 0.0000000 0.0000000 0.0000000 4.3829143 -------------------------- Born effective charges -------------------------- 1 Bi 4.2465122 0.0000000 -0.4751946 0.0000000 4.7757758 0.0000000 -0.1816796 0.0000000 3.9031588 2 Bi 4.2465122 0.0000000 0.4751946 0.0000000 4.7757758 0.0000000 0.1816796 0.0000000 3.9031588 3 Bi 4.2465122 0.0000000 0.4751946 0.0000000 4.7757758 0.0000000 0.1816796 0.0000000 3.9031588 4 Bi 4.2465122 0.0000000 -0.4751946 0.0000000 4.7757758 0.0000000 -0.1816796 0.0000000 3.9031588 5 O -2.1671167 0.0000000 0.4172511 0.0000000 -3.4075476 0.0000000 0.2854837 0.0000000 -1.9867758 6 O -2.1671167 0.0000000 -0.4172511 0.0000000 -3.4075476 0.0000000 -0.2854837 0.0000000 -1.9867758 7 O -2.1671167 0.0000000 -0.4172511 0.0000000 -3.4075476 0.0000000 -0.2854837 0.0000000 -1.9867758 8 O -2.1671167 0.0000000 0.4172511 0.0000000 -3.4075476 0.0000000 0.2854837 0.0000000 -1.9867758 9 F -2.0793955 0.0000000 0.1879554 0.0000000 -1.3682282 0.0000000 -0.1990724 0.0000000 -1.9163831 10 F -2.0793955 0.0000000 -0.1879554 0.0000000 -1.3682282 0.0000000 0.1990724 0.0000000 -1.9163831 11 F -2.0793955 0.0000000 -0.1879554 0.0000000 -1.3682282 0.0000000 0.1990724 0.0000000 -1.9163831 12 F -2.0793955 0.0000000 0.1879554 0.0000000 -1.3682282 0.0000000 -0.1990724 0.0000000 -1.9163831 ---------------------------------------------------------------------------- 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 13 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: 0.73, Number of G-points: 287, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.586 ( 0.000 0.000 0.000) 0.000 1.733 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 3.976 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.093 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 8.086 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.099 ( 0.000 0.000 0.000) 0.000 9.153 ( 0.000 0.000 0.000) 0.000 9.909 ( 0.000 0.000 0.000) 0.000 11.250 ( 0.000 0.000 0.000) 0.000 13.136 ( 0.000 0.000 0.000) 0.000 13.140 ( 0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 13.658 ( 0.000 0.000 0.000) 0.000 14.524 ( 0.000 0.000 0.000) 0.000 14.982 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 18.301 0.000 0.000) 18.301 0.479 ( 22.249 0.000 0.000) 22.249 0.740 ( 34.489 0.000 0.000) 34.489 1.549 ( -3.655 0.000 0.000) 3.655 1.665 ( -10.232 0.000 0.000) 10.232 2.253 ( 19.036 0.000 0.000) 19.036 2.339 ( 0.777 0.000 0.000) 0.777 2.443 ( -0.706 0.000 0.000) 0.706 2.690 ( -8.636 0.000 0.000) 8.636 3.878 ( -9.508 0.000 0.000) 9.508 4.002 ( 5.390 0.000 0.000) 5.390 4.432 ( 4.284 0.000 0.000) 4.284 4.704 ( 1.530 0.000 0.000) 1.530 4.838 ( -4.659 0.000 0.000) 4.659 4.948 ( -1.221 0.000 0.000) 1.221 5.087 ( 0.831 0.000 0.000) 0.831 5.399 ( 9.740 0.000 0.000) 9.740 5.415 ( 0.082 0.000 0.000) 0.082 5.633 ( -2.577 0.000 0.000) 2.577 5.702 ( -2.446 0.000 0.000) 2.446 5.816 ( -12.413 0.000 0.000) 12.413 6.721 ( -9.589 0.000 0.000) 9.589 7.379 ( 20.125 0.000 0.000) 20.125 8.643 ( 6.150 0.000 0.000) 6.150 8.969 ( -9.990 0.000 0.000) 9.990 9.150 ( 4.845 0.000 0.000) 4.845 9.171 ( -0.449 0.000 0.000) 0.449 9.850 ( -5.623 0.000 0.000) 5.623 11.314 ( 5.934 0.000 0.000) 5.934 11.947 ( -3.728 0.000 0.000) 3.728 13.154 ( 1.463 0.000 0.000) 1.463 13.178 ( 3.932 0.000 0.000) 3.932 13.463 ( -2.898 0.000 0.000) 2.898 13.628 ( -2.830 0.000 0.000) 2.830 15.016 ( 3.177 0.000 0.000) 3.177 15.438 ( -3.131 0.000 0.000) 3.131 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 17.659 0.000 0.000) 17.659 0.898 ( 18.114 0.000 0.000) 18.114 1.309 ( 6.390 0.000 0.000) 6.390 1.431 ( -7.942 0.000 0.000) 7.942 1.532 ( 11.042 0.000 0.000) 11.042 2.362 ( 1.371 0.000 0.000) 1.371 2.423 ( -1.276 0.000 0.000) 1.276 2.428 ( -16.694 0.000 0.000) 16.694 2.694 ( 23.151 0.000 0.000) 23.151 3.594 ( -17.663 0.000 0.000) 17.663 4.168 ( 10.533 0.000 0.000) 10.533 4.548 ( 6.534 0.000 0.000) 6.534 4.665 ( -11.096 0.000 0.000) 11.096 4.724 ( -0.267 0.000 0.000) 0.267 4.970 ( 2.915 0.000 0.000) 2.915 5.094 ( -0.656 0.000 0.000) 0.656 5.414 ( 0.041 0.000 0.000) 0.041 5.568 ( -9.706 0.000 0.000) 9.706 5.580 ( -1.914 0.000 0.000) 1.914 5.637 ( -3.535 0.000 0.000) 3.535 5.682 ( 16.663 0.000 0.000) 16.663 6.444 ( -16.683 0.000 0.000) 16.683 7.850 ( 23.913 0.000 0.000) 23.913 8.702 ( -15.928 0.000 0.000) 15.928 8.806 ( 9.096 0.000 0.000) 9.096 9.120 ( -4.527 0.000 0.000) 4.527 9.290 ( 8.529 0.000 0.000) 8.529 9.692 ( -9.281 0.000 0.000) 9.281 11.474 ( 9.085 0.000 0.000) 9.085 11.835 ( -7.024 0.000 0.000) 7.024 13.202 ( 3.207 0.000 0.000) 3.207 13.286 ( 6.262 0.000 0.000) 6.262 13.382 ( -4.648 0.000 0.000) 4.648 13.544 ( -5.194 0.000 0.000) 5.194 15.106 ( 5.391 0.000 0.000) 5.391 15.349 ( -5.355 0.000 0.000) 5.355 ======================= Grid point 3 (4/140) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -15.480 0.000 0.000) 15.480 1.094 ( 15.480 0.000 0.000) 15.480 1.218 ( -12.936 0.000 0.000) 12.936 1.218 ( 12.936 0.000 0.000) 12.936 2.011 ( -23.604 0.000 0.000) 23.604 2.011 ( 23.604 0.000 0.000) 23.604 2.393 ( -1.546 0.000 0.000) 1.546 2.393 ( 1.546 0.000 0.000) 1.546 3.173 ( -22.616 0.000 0.000) 22.616 3.173 ( 22.616 0.000 0.000) 22.616 4.414 ( -12.728 0.000 0.000) 12.728 4.414 ( 12.728 0.000 0.000) 12.728 4.672 ( -4.779 0.000 0.000) 4.779 4.672 ( 4.779 0.000 0.000) 4.779 5.046 ( -3.748 0.000 0.000) 3.748 5.046 ( 3.748 0.000 0.000) 3.748 5.437 ( -2.987 0.000 0.000) 2.987 5.437 ( 2.987 0.000 0.000) 2.987 5.577 ( -1.737 0.000 0.000) 1.737 5.577 ( 1.737 0.000 0.000) 1.737 6.064 ( -19.444 0.000 0.000) 19.444 6.064 ( 19.444 0.000 0.000) 19.444 8.319 ( -21.071 0.000 0.000) 21.071 8.319 ( 21.071 0.000 0.000) 21.071 8.989 ( -8.023 0.000 0.000) 8.023 8.989 ( 8.023 0.000 0.000) 8.023 9.487 ( -10.194 0.000 0.000) 10.194 9.487 ( 10.194 0.000 0.000) 10.194 11.666 ( -9.144 0.000 0.000) 9.144 11.666 ( 9.144 0.000 0.000) 9.144 13.284 ( -4.626 0.000 0.000) 4.626 13.284 ( 4.626 0.000 0.000) 4.626 13.421 ( -6.544 0.000 0.000) 6.544 13.421 ( 6.544 0.000 0.000) 6.544 15.228 ( -6.154 0.000 0.000) 6.154 15.228 ( 6.154 0.000 0.000) 6.154 ======================= Grid point 7 (5/140) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 0.000 16.287 0.000) 16.287 0.440 ( 0.000 21.802 0.000) 21.802 0.607 ( 0.000 30.251 0.000) 30.251 1.638 ( 0.000 5.188 0.000) 5.188 1.716 ( 0.000 -0.807 0.000) 0.807 1.895 ( 0.000 4.381 0.000) 4.381 2.299 ( 0.000 -1.597 0.000) 1.597 2.624 ( 0.000 16.162 0.000) 16.162 2.947 ( 0.000 14.870 0.000) 14.870 3.934 ( 0.000 -1.312 0.000) 1.312 3.983 ( 0.000 0.367 0.000) 0.367 4.219 ( 0.000 2.631 0.000) 2.631 4.617 ( 0.000 -5.346 0.000) 5.346 4.842 ( 0.000 -7.659 0.000) 7.659 4.995 ( 0.000 4.645 0.000) 4.645 5.282 ( 0.000 -2.092 0.000) 2.092 5.337 ( 0.000 -6.655 0.000) 6.655 5.666 ( 0.000 -5.610 0.000) 5.610 5.682 ( 0.000 1.066 0.000) 1.066 5.918 ( 0.000 -5.116 0.000) 5.116 6.177 ( 0.000 7.375 0.000) 7.375 6.221 ( 0.000 -3.926 0.000) 3.926 6.888 ( 0.000 6.699 0.000) 6.699 8.096 ( 0.000 1.232 0.000) 1.232 8.602 ( 0.000 2.495 0.000) 2.495 8.717 ( 0.000 -30.685 0.000) 30.685 9.058 ( 0.000 -5.884 0.000) 5.884 9.118 ( 0.000 -3.740 0.000) 3.740 11.636 ( 0.000 32.406 0.000) 32.406 12.870 ( 0.000 -24.435 0.000) 24.435 13.063 ( 0.000 -7.878 0.000) 7.878 13.219 ( 0.000 -37.349 0.000) 37.349 13.462 ( 0.000 -2.388 0.000) 2.388 14.666 ( 0.000 12.096 0.000) 12.096 15.250 ( 0.000 20.180 0.000) 20.180 15.688 ( 0.000 -2.633 0.000) 2.633 ======================= Grid point 8 (6/140) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 14.012 9.414 0.000) 16.881 0.506 ( 14.731 8.869 0.000) 17.195 0.994 ( 24.020 18.883 0.000) 30.554 1.564 ( -6.002 -3.361 0.000) 6.879 1.600 ( -3.845 5.084 0.000) 6.374 2.223 ( 18.806 0.391 0.000) 18.810 2.285 ( -1.639 -2.841 0.000) 3.280 2.638 ( 1.865 16.706 0.000) 16.810 2.881 ( -6.107 16.158 0.000) 17.274 3.891 ( -8.923 1.031 0.000) 8.982 3.988 ( 5.448 -1.283 0.000) 5.597 4.359 ( 9.520 -1.191 0.000) 9.595 4.626 ( 0.364 -6.079 0.000) 6.090 4.788 ( -5.044 -7.447 0.000) 8.994 4.991 ( 0.141 4.694 0.000) 4.697 5.294 ( -6.927 1.976 0.000) 7.204 5.351 ( 1.288 -5.403 0.000) 5.555 5.375 ( -9.525 4.093 0.000) 10.367 5.631 ( -3.155 -3.307 0.000) 4.570 5.642 ( -3.583 0.256 0.000) 3.592 5.874 ( -5.199 3.533 0.000) 6.286 6.776 ( -10.496 5.510 0.000) 11.855 7.117 ( 31.564 -19.032 0.000) 36.858 8.603 ( 20.162 -15.829 0.000) 25.633 8.697 ( -3.331 -27.720 0.000) 27.920 8.716 ( 19.796 -16.252 0.000) 25.613 9.010 ( -1.784 -7.860 0.000) 8.060 9.142 ( 0.588 -3.236 0.000) 3.289 11.698 ( 5.939 32.144 0.000) 32.688 12.872 ( 0.468 -25.899 0.000) 25.903 12.979 ( -11.649 -1.407 0.000) 11.734 13.191 ( -2.668 -36.782 0.000) 36.878 13.436 ( -2.432 -2.486 0.000) 3.478 13.712 ( -47.757 56.278 0.000) 73.811 15.278 ( 2.683 19.919 0.000) 20.099 15.642 ( -3.097 11.819 0.000) 12.218 ======================= Grid point 9 (7/140) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 15.522 4.144 0.000) 16.065 0.873 ( 17.771 -0.140 0.000) 17.771 1.324 ( -1.948 1.234 0.000) 2.306 1.475 ( -8.437 4.510 0.000) 9.567 1.586 ( 16.430 6.109 0.000) 17.529 2.208 ( -6.771 -5.282 0.000) 8.588 2.519 ( 6.807 8.326 0.000) 10.755 2.726 ( -7.845 19.291 0.000) 20.825 2.797 ( 16.861 10.861 0.000) 20.056 3.623 ( -16.819 2.635 0.000) 17.025 4.148 ( 9.657 -2.204 0.000) 9.905 4.531 ( 7.035 -0.394 0.000) 7.046 4.570 ( -7.607 -8.093 0.000) 11.107 4.695 ( -2.180 -3.947 0.000) 4.509 5.007 ( 1.264 2.607 0.000) 2.897 5.120 ( -4.960 1.508 0.000) 5.184 5.377 ( 0.352 -12.958 0.000) 12.963 5.386 ( 1.974 -2.107 0.000) 2.887 5.559 ( -3.518 -2.039 0.000) 4.066 5.641 ( -0.253 1.207 0.000) 1.233 5.815 ( 5.107 7.174 0.000) 8.807 6.482 ( -17.353 3.540 0.000) 17.711 7.688 ( 25.597 -15.107 0.000) 29.722 8.525 ( -13.356 -18.590 0.000) 22.890 8.806 ( 8.627 0.309 0.000) 8.632 9.027 ( 1.652 -13.637 0.000) 13.737 9.114 ( 9.692 -32.947 0.000) 34.343 9.131 ( -0.704 -4.568 0.000) 4.622 11.871 ( 10.686 32.271 0.000) 33.994 12.531 ( -23.576 35.469 0.000) 42.590 12.907 ( 3.175 -29.252 0.000) 29.424 13.111 ( -4.946 -35.035 0.000) 35.382 13.304 ( -3.330 11.916 0.000) 12.372 13.372 ( -3.467 -2.524 0.000) 4.288 15.355 ( 4.605 19.171 0.000) 19.716 15.563 ( -4.618 16.081 0.000) 16.731 ======================= Grid point 10 (8/140) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -8.280 -1.050 0.000) 8.347 1.063 ( 8.280 -1.050 0.000) 8.347 1.268 ( -8.861 4.560 0.000) 9.966 1.268 ( 8.861 4.560 0.000) 9.966 1.969 ( -16.464 -1.444 0.000) 16.527 1.969 ( 16.464 -1.444 0.000) 16.527 2.602 ( -3.995 17.528 0.000) 17.977 2.602 ( 3.995 17.528 0.000) 17.977 3.221 ( -21.449 4.777 0.000) 21.974 3.221 ( 21.449 4.777 0.000) 21.974 4.366 ( -10.940 -5.022 0.000) 12.038 4.366 ( 10.940 -5.022 0.000) 12.038 4.645 ( -3.819 -2.227 0.000) 4.421 4.645 ( 3.819 -2.227 0.000) 4.421 5.044 ( -2.594 -0.564 0.000) 2.655 5.044 ( 2.594 -0.564 0.000) 2.655 5.398 ( -1.274 -4.528 0.000) 4.704 5.398 ( 1.274 -4.528 0.000) 4.704 5.558 ( -3.977 -0.446 0.000) 4.002 5.558 ( 3.977 -0.446 0.000) 4.002 6.102 ( -18.323 3.391 0.000) 18.634 6.102 ( 18.323 3.391 0.000) 18.634 8.170 ( -20.755 -14.825 0.000) 25.506 8.170 ( 20.755 -14.825 0.000) 25.506 8.969 ( -6.540 -2.541 0.000) 7.016 8.969 ( 6.540 -2.541 0.000) 7.016 9.167 ( -2.188 -21.373 0.000) 21.485 9.167 ( 2.188 -21.373 0.000) 21.485 12.137 ( -15.400 34.531 0.000) 37.810 12.137 ( 15.400 34.531 0.000) 37.810 12.999 ( -5.466 -32.444 0.000) 32.901 12.999 ( 5.466 -32.444 0.000) 32.901 13.309 ( -2.296 -0.343 0.000) 2.321 13.309 ( 2.296 -0.343 0.000) 2.321 15.459 ( -5.281 17.954 0.000) 18.714 15.459 ( 5.281 17.954 0.000) 18.714 ======================= Grid point 14 (9/140) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 20.263 0.000) 20.263 0.842 ( 0.000 19.188 0.000) 19.188 1.163 ( 0.000 25.972 0.000) 25.972 1.729 ( 0.000 2.323 0.000) 2.323 1.780 ( 0.000 9.136 0.000) 9.136 2.023 ( 0.000 8.779 0.000) 8.779 2.305 ( 0.000 2.234 0.000) 2.234 3.015 ( 0.000 22.364 0.000) 22.364 3.285 ( 0.000 18.383 0.000) 18.383 3.898 ( 0.000 -2.254 0.000) 2.254 3.968 ( 0.000 -2.599 0.000) 2.599 4.299 ( 0.000 5.595 0.000) 5.595 4.505 ( 0.000 -7.419 0.000) 7.419 4.575 ( 0.000 -17.343 0.000) 17.343 5.136 ( 0.000 9.130 0.000) 9.130 5.172 ( 0.000 -10.239 0.000) 10.239 5.191 ( 0.000 -7.556 0.000) 7.556 5.522 ( 0.000 -9.270 0.000) 9.270 5.684 ( 0.000 -0.827 0.000) 0.827 5.834 ( 0.000 -1.856 0.000) 1.856 6.120 ( 0.000 -6.087 0.000) 6.087 6.340 ( 0.000 8.658 0.000) 8.658 7.079 ( 0.000 12.655 0.000) 12.655 8.083 ( 0.000 -31.242 0.000) 31.242 8.147 ( 0.000 4.310 0.000) 4.310 8.663 ( 0.000 3.429 0.000) 3.429 8.896 ( 0.000 -10.254 0.000) 10.254 8.994 ( 0.000 -9.409 0.000) 9.409 12.226 ( 0.000 20.953 0.000) 20.953 12.283 ( 0.000 -33.709 0.000) 33.709 12.399 ( 0.000 -43.750 0.000) 43.750 12.832 ( 0.000 -15.666 0.000) 15.666 13.488 ( 0.000 9.041 0.000) 9.041 14.914 ( 0.000 12.089 0.000) 12.089 15.601 ( 0.000 14.208 0.000) 14.208 15.617 ( 0.000 -4.407 0.000) 4.407 ======================= Grid point 15 (10/140) ======================= q-point: ( 0.17 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 7.920 17.234 0.000) 18.967 0.804 ( 2.350 19.062 0.000) 19.207 1.360 ( 11.517 17.217 0.000) 20.713 1.597 ( -4.428 5.665 0.000) 7.191 1.743 ( -3.870 9.381 0.000) 10.148 2.272 ( -3.240 1.479 0.000) 3.562 2.295 ( 19.166 6.737 0.000) 20.316 3.029 ( 1.576 22.018 0.000) 22.075 3.238 ( -4.346 19.072 0.000) 19.561 3.895 ( -7.147 -1.372 0.000) 7.278 3.949 ( 4.786 -2.737 0.000) 5.513 4.403 ( 8.606 4.871 0.000) 9.889 4.471 ( -4.121 -13.574 0.000) 14.186 4.570 ( 0.458 -10.576 0.000) 10.586 5.077 ( -3.221 1.797 0.000) 3.688 5.103 ( -4.888 -14.442 0.000) 15.247 5.268 ( 5.095 -0.404 0.000) 5.111 5.451 ( -12.935 -3.180 0.000) 13.320 5.631 ( -4.918 -1.312 0.000) 5.090 5.653 ( -5.238 6.176 0.000) 8.099 5.937 ( -1.377 2.639 0.000) 2.977 6.836 ( 26.996 -9.572 0.000) 28.643 6.922 ( -13.972 8.677 0.000) 16.447 8.116 ( 1.802 -27.591 0.000) 27.650 8.365 ( 17.401 -4.089 0.000) 17.875 8.711 ( 4.284 2.701 0.000) 5.065 8.826 ( -4.637 -11.371 0.000) 12.281 9.043 ( 2.727 -7.178 0.000) 7.678 12.260 ( -1.928 -34.720 0.000) 34.773 12.262 ( 3.181 15.314 0.000) 15.641 12.384 ( -1.197 -39.939 0.000) 39.957 12.783 ( -4.390 -15.175 0.000) 15.797 13.476 ( -1.013 10.715 0.000) 10.763 14.446 ( -32.935 24.922 0.000) 41.301 15.625 ( 2.191 13.886 0.000) 14.057 15.750 ( 5.977 0.050 0.000) 5.977 ======================= Grid point 16 (11/140) ======================= q-point: ( 0.33 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 10.898 12.029 0.000) 16.232 0.983 ( 12.748 12.088 0.000) 17.568 1.391 ( -4.304 6.113 0.000) 7.477 1.611 ( -9.068 9.442 0.000) 13.091 1.738 ( 12.840 8.441 0.000) 15.366 2.169 ( -6.851 0.706 0.000) 6.887 2.701 ( 18.484 9.874 0.000) 20.956 3.102 ( 6.670 18.921 0.000) 20.062 3.124 ( -6.368 20.549 0.000) 21.513 3.676 ( -13.923 2.034 0.000) 14.071 4.075 ( 6.884 -5.295 0.000) 8.684 4.353 ( -6.550 -14.939 0.000) 16.312 4.557 ( 4.406 2.368 0.000) 5.002 4.586 ( 0.648 -6.075 0.000) 6.110 5.027 ( -1.493 -1.121 0.000) 1.867 5.055 ( -0.001 -10.128 0.000) 10.128 5.197 ( -5.267 -3.099 0.000) 6.111 5.371 ( 3.003 1.192 0.000) 3.231 5.514 ( -4.063 -1.914 0.000) 4.491 5.677 ( 0.209 2.746 0.000) 2.754 5.939 ( 4.306 5.474 0.000) 6.964 6.566 ( -19.339 4.425 0.000) 19.838 7.371 ( 24.820 -14.953 0.000) 28.976 8.083 ( -6.507 -22.030 0.000) 22.971 8.674 ( 8.821 -14.767 0.000) 17.201 8.752 ( -1.921 -13.926 0.000) 14.058 8.836 ( 8.478 2.825 0.000) 8.937 9.070 ( -0.569 -3.407 0.000) 3.454 12.229 ( -0.501 -37.432 0.000) 37.435 12.297 ( -1.542 -31.748 0.000) 31.785 12.404 ( 4.882 1.275 0.000) 5.045 12.671 ( -6.193 -10.739 0.000) 12.397 13.464 ( 0.564 16.244 0.000) 16.254 13.850 ( -22.482 33.033 0.000) 39.958 15.685 ( 3.502 12.821 0.000) 13.291 15.800 ( -0.457 6.629 0.000) 6.644 ======================= Grid point 17 (12/140) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -4.464 8.439 0.000) 9.547 1.128 ( 4.464 8.439 0.000) 9.547 1.395 ( -9.197 8.716 0.000) 12.671 1.395 ( 9.197 8.716 0.000) 12.671 1.987 ( -10.745 2.946 0.000) 11.141 1.987 ( 10.745 2.946 0.000) 11.141 2.977 ( -8.661 19.060 0.000) 20.935 2.977 ( 8.661 19.060 0.000) 20.935 3.350 ( -16.307 8.071 0.000) 18.195 3.350 ( 16.307 8.071 0.000) 18.195 4.216 ( -6.719 -10.322 0.000) 12.316 4.216 ( 6.719 -10.322 0.000) 12.316 4.592 ( -0.164 -3.441 0.000) 3.445 4.592 ( 0.164 -3.441 0.000) 3.445 5.022 ( -1.244 -1.497 0.000) 1.947 5.022 ( 1.244 -1.497 0.000) 1.947 5.278 ( -8.102 -6.513 0.000) 10.396 5.278 ( 8.102 -6.513 0.000) 10.396 5.584 ( -6.916 2.890 0.000) 7.495 5.584 ( 6.916 2.890 0.000) 7.495 6.178 ( -16.997 3.991 0.000) 17.460 6.178 ( 16.997 3.991 0.000) 17.460 7.824 ( -18.205 -17.569 0.000) 25.300 7.824 ( 18.205 -17.569 0.000) 25.300 8.741 ( -0.220 -16.162 0.000) 16.163 8.741 ( 0.220 -16.162 0.000) 16.163 9.004 ( -6.052 -0.162 0.000) 6.054 9.004 ( 6.052 -0.162 0.000) 6.054 12.248 ( -2.200 -39.945 0.000) 40.005 12.248 ( 2.200 -39.945 0.000) 40.005 12.535 ( -6.869 -0.152 0.000) 6.871 12.535 ( 6.869 -0.152 0.000) 6.871 13.541 ( -8.238 25.921 0.000) 27.199 13.541 ( 8.238 25.921 0.000) 27.199 15.757 ( -3.188 10.658 0.000) 11.125 15.757 ( 3.188 10.658 0.000) 11.125 ======================= Grid point 21 (13/140) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.000 22.970 0.000) 22.970 1.191 ( 0.000 16.655 0.000) 16.655 1.598 ( 0.000 18.184 0.000) 18.184 1.803 ( 0.000 5.082 0.000) 5.082 1.988 ( 0.000 11.892 0.000) 11.892 2.230 ( 0.000 11.763 0.000) 11.763 2.378 ( 0.000 4.946 0.000) 4.946 3.451 ( 0.000 21.279 0.000) 21.279 3.625 ( 0.000 15.553 0.000) 15.553 3.848 ( 0.000 -11.683 0.000) 11.683 3.854 ( 0.000 -1.900 0.000) 1.900 4.106 ( 0.000 -23.241 0.000) 23.241 4.436 ( 0.000 -3.686 0.000) 3.686 4.440 ( 0.000 8.819 0.000) 8.819 4.891 ( 0.000 -17.067 0.000) 17.067 5.056 ( 0.000 -6.143 0.000) 6.143 5.297 ( 0.000 -13.819 0.000) 13.819 5.345 ( 0.000 12.104 0.000) 12.104 5.664 ( 0.000 -0.493 0.000) 0.493 5.853 ( 0.000 1.651 0.000) 1.651 6.003 ( 0.000 -4.065 0.000) 4.065 6.494 ( 0.000 6.664 0.000) 6.664 7.371 ( 0.000 16.826 0.000) 16.826 7.556 ( 0.000 -22.191 0.000) 22.191 8.274 ( 0.000 8.768 0.000) 8.768 8.675 ( 0.000 -11.736 0.000) 11.736 8.728 ( 0.000 3.089 0.000) 3.089 8.729 ( 0.000 -18.197 0.000) 18.197 11.584 ( 0.000 -38.020 0.000) 38.020 11.609 ( 0.000 -33.989 0.000) 33.989 12.311 ( 0.000 -9.840 0.000) 9.840 12.455 ( 0.000 -22.726 0.000) 22.726 13.892 ( 0.000 28.978 0.000) 28.978 15.118 ( 0.000 8.571 0.000) 8.571 15.525 ( 0.000 -4.805 0.000) 4.805 15.786 ( 0.000 4.780 0.000) 4.780 ======================= Grid point 22 (14/140) ======================= q-point: ( 0.17 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 4.259 21.408 0.000) 21.827 1.186 ( 1.603 19.092 0.000) 19.160 1.637 ( -1.320 11.160 0.000) 11.237 1.761 ( 2.619 10.692 0.000) 11.008 1.960 ( -3.123 12.609 0.000) 12.990 2.331 ( -4.276 4.328 0.000) 6.084 2.463 ( 18.537 9.511 0.000) 20.834 3.455 ( 0.469 20.559 0.000) 20.564 3.588 ( -3.345 15.939 0.000) 16.286 3.804 ( -4.277 -9.622 0.000) 10.530 3.889 ( 2.929 -3.045 0.000) 4.225 4.054 ( -4.365 -23.819 0.000) 24.216 4.452 ( 1.466 -3.935 0.000) 4.199 4.530 ( 6.881 7.639 0.000) 10.281 4.795 ( -4.674 -15.847 0.000) 16.522 5.032 ( -2.303 -4.226 0.000) 4.813 5.299 ( -4.118 -11.173 0.000) 11.907 5.382 ( 3.579 9.956 0.000) 10.580 5.605 ( -5.510 -0.684 0.000) 5.552 5.810 ( -4.614 8.632 0.000) 9.787 5.953 ( 1.593 -1.156 0.000) 1.968 6.712 ( 17.151 -3.768 0.000) 17.560 7.051 ( -20.466 1.759 0.000) 20.542 7.741 ( 7.477 -7.674 0.000) 10.714 8.363 ( 6.764 2.936 0.000) 7.374 8.564 ( -5.889 -15.751 0.000) 16.816 8.776 ( 4.638 3.767 0.000) 5.975 8.851 ( 6.853 -12.309 0.000) 14.088 11.569 ( -1.500 -37.509 0.000) 37.539 11.573 ( -3.147 -34.265 0.000) 34.410 12.315 ( 0.308 -11.115 0.000) 11.119 12.416 ( -3.217 -22.037 0.000) 22.271 13.909 ( 1.717 29.587 0.000) 29.636 14.820 ( -20.834 14.703 0.000) 25.500 15.693 ( 9.401 -4.898 0.000) 10.601 15.801 ( 1.351 4.246 0.000) 4.456 ======================= Grid point 23 (15/140) ======================= q-point: ( 0.33 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 6.762 17.728 0.000) 18.974 1.301 ( 8.686 18.559 0.000) 20.491 1.556 ( -3.877 10.441 0.000) 11.138 1.839 ( -8.902 13.609 0.000) 16.262 1.903 ( 8.418 8.665 0.000) 12.080 2.218 ( -6.360 4.094 0.000) 7.564 2.885 ( 20.909 8.192 0.000) 22.457 3.477 ( 1.795 18.016 0.000) 18.105 3.491 ( -6.541 15.454 0.000) 16.781 3.675 ( -7.769 -2.194 0.000) 8.073 3.949 ( 2.187 -7.108 0.000) 7.437 3.975 ( -2.212 -22.398 0.000) 22.507 4.485 ( 1.495 -4.148 0.000) 4.410 4.562 ( -2.844 -3.447 0.000) 4.469 4.894 ( 12.337 -3.260 0.000) 12.761 4.980 ( -1.969 -2.865 0.000) 3.476 5.127 ( -8.957 -5.411 0.000) 10.464 5.412 ( -7.512 1.768 0.000) 7.717 5.524 ( 4.432 4.135 0.000) 6.061 5.763 ( -2.173 5.896 0.000) 6.283 6.023 ( 5.997 3.171 0.000) 6.784 6.623 ( -20.384 0.674 0.000) 20.395 7.128 ( 21.914 -10.364 0.000) 24.241 7.775 ( -4.788 -8.552 0.000) 9.801 8.461 ( 1.718 -7.457 0.000) 7.652 8.469 ( -2.784 -14.916 0.000) 15.174 8.906 ( 6.907 3.695 0.000) 7.833 8.972 ( 4.309 -6.987 0.000) 8.209 11.507 ( -2.491 -35.010 0.000) 35.099 11.527 ( -2.346 -36.553 0.000) 36.628 12.320 ( 0.100 -14.183 0.000) 14.184 12.352 ( -2.449 -20.234 0.000) 20.382 13.971 ( 4.711 30.430 0.000) 30.793 14.409 ( -17.649 23.947 0.000) 29.748 15.827 ( 3.666 -2.957 0.000) 4.710 15.835 ( 1.710 2.652 0.000) 3.156 ======================= Grid point 24 (16/140) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -4.626 14.901 0.000) 15.603 1.368 ( 4.626 14.901 0.000) 15.603 1.617 ( -10.918 13.862 0.000) 17.645 1.617 ( 10.918 13.862 0.000) 17.645 2.073 ( -7.791 5.808 0.000) 9.717 2.073 ( 7.791 5.808 0.000) 9.717 3.271 ( -15.466 8.956 0.000) 17.872 3.271 ( 15.466 8.956 0.000) 17.872 3.538 ( -4.602 11.428 0.000) 12.320 3.538 ( 4.602 11.428 0.000) 12.320 3.965 ( -0.280 -14.713 0.000) 14.716 3.965 ( 0.280 -14.713 0.000) 14.716 4.513 ( -1.580 -4.161 0.000) 4.451 4.513 ( 1.580 -4.161 0.000) 4.451 4.981 ( -2.549 -2.928 0.000) 3.882 4.981 ( 2.549 -2.928 0.000) 3.882 5.187 ( -12.563 -2.119 0.000) 12.740 5.187 ( 12.563 -2.119 0.000) 12.740 5.663 ( -6.888 5.048 0.000) 8.540 5.663 ( 6.888 5.048 0.000) 8.540 6.246 ( -15.378 2.705 0.000) 15.614 6.246 ( 15.378 2.705 0.000) 15.614 7.544 ( -16.938 -11.011 0.000) 20.202 7.544 ( 16.938 -11.011 0.000) 20.202 8.456 ( -0.939 -12.593 0.000) 12.628 8.456 ( 0.939 -12.593 0.000) 12.628 9.004 ( -1.724 -0.925 0.000) 1.957 9.004 ( 1.724 -0.925 0.000) 1.957 11.489 ( -0.792 -35.799 0.000) 35.808 11.489 ( 0.792 -35.799 0.000) 35.808 12.323 ( -0.476 -17.543 0.000) 17.550 12.323 ( 0.476 -17.543 0.000) 17.550 14.121 ( -10.333 29.218 0.000) 30.992 14.121 ( 10.333 29.218 0.000) 30.992 15.858 ( -0.231 0.089 0.000) 0.247 15.858 ( 0.231 0.089 0.000) 0.247 ======================= Grid point 28 (17/140) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.000 15.045 0.000) 15.045 1.529 ( 0.000 22.942 0.000) 22.942 1.877 ( 0.000 10.764 0.000) 10.764 1.919 ( 0.000 6.629 0.000) 6.629 2.224 ( 0.000 10.921 0.000) 10.921 2.435 ( 0.000 7.783 0.000) 7.783 2.486 ( 0.000 5.874 0.000) 5.874 3.462 ( 0.000 -21.281 0.000) 21.281 3.803 ( 0.000 -10.245 0.000) 10.245 3.815 ( 0.000 15.316 0.000) 15.316 3.838 ( 0.000 0.452 0.000) 0.452 3.875 ( 0.000 10.016 0.000) 10.016 4.388 ( 0.000 -0.953 0.000) 0.953 4.568 ( 0.000 -14.480 0.000) 14.480 4.638 ( 0.000 10.993 0.000) 10.993 4.947 ( 0.000 -5.327 0.000) 5.327 4.994 ( 0.000 -16.370 0.000) 16.370 5.593 ( 0.000 12.645 0.000) 12.645 5.691 ( 0.000 3.594 0.000) 3.594 5.766 ( 0.000 -8.628 0.000) 8.628 6.069 ( 0.000 8.329 0.000) 8.329 6.591 ( 0.000 3.062 0.000) 3.062 7.206 ( 0.000 -14.208 0.000) 14.208 7.708 ( 0.000 16.352 0.000) 16.352 8.281 ( 0.000 -26.717 0.000) 26.717 8.459 ( 0.000 -9.855 0.000) 9.855 8.481 ( 0.000 11.819 0.000) 11.819 8.782 ( 0.000 2.451 0.000) 2.451 10.960 ( 0.000 -25.014 0.000) 25.014 11.002 ( 0.000 -26.914 0.000) 26.914 11.957 ( 0.000 -27.665 0.000) 27.665 11.977 ( 0.000 -22.197 0.000) 22.197 14.469 ( 0.000 27.855 0.000) 27.855 15.248 ( 0.000 4.863 0.000) 4.863 15.438 ( 0.000 -3.877 0.000) 3.877 15.802 ( 0.000 -2.604 0.000) 2.604 ======================= Grid point 29 (18/140) ======================= q-point: ( 0.17 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 3.442 15.994 0.000) 16.360 1.549 ( 1.907 21.885 0.000) 21.968 1.835 ( -2.461 9.948 0.000) 10.248 1.974 ( 4.224 10.059 0.000) 10.909 2.214 ( -1.522 12.105 0.000) 12.201 2.429 ( -5.080 5.295 0.000) 7.338 2.618 ( 15.655 5.101 0.000) 16.465 3.445 ( -0.943 -20.521 0.000) 20.543 3.739 ( -5.545 -10.270 0.000) 11.671 3.785 ( -1.831 9.938 0.000) 10.105 3.845 ( -2.490 9.955 0.000) 10.261 3.866 ( 1.238 3.850 0.000) 4.044 4.400 ( 1.096 -1.153 0.000) 1.591 4.502 ( -3.755 -10.938 0.000) 11.565 4.721 ( 7.587 9.592 0.000) 12.229 4.948 ( -0.248 -4.482 0.000) 4.489 5.043 ( 1.155 -14.328 0.000) 14.374 5.599 ( 0.969 10.802 0.000) 10.846 5.629 ( -5.902 4.008 0.000) 7.134 5.830 ( 4.817 -7.058 0.000) 8.545 6.036 ( -1.579 10.121 0.000) 10.244 6.663 ( 7.870 -1.870 0.000) 8.089 6.961 ( -17.893 -8.249 0.000) 19.703 7.818 ( 2.942 11.337 0.000) 11.712 8.181 ( -3.814 -24.056 0.000) 24.356 8.461 ( -2.228 6.652 0.000) 7.015 8.599 ( 9.541 -11.864 0.000) 15.225 8.847 ( 5.455 3.179 0.000) 6.314 10.956 ( -0.441 -24.266 0.000) 24.270 10.968 ( -2.872 -26.317 0.000) 26.473 11.936 ( -1.655 -26.592 0.000) 26.644 11.970 ( -0.649 -22.235 0.000) 22.244 14.484 ( 1.488 27.386 0.000) 27.426 15.050 ( -12.921 9.213 0.000) 15.869 15.584 ( 8.222 -5.869 0.000) 10.102 15.806 ( 0.303 -3.140 0.000) 3.155 ======================= Grid point 30 (19/140) ======================= q-point: ( 0.33 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 3.339 19.124 0.000) 19.413 1.649 ( 7.144 16.178 0.000) 17.685 1.791 ( -1.236 13.350 0.000) 13.407 2.085 ( 6.325 9.615 0.000) 11.509 2.118 ( -8.370 13.805 0.000) 16.144 2.320 ( -4.734 5.847 0.000) 7.523 2.986 ( 18.213 1.296 0.000) 18.259 3.449 ( -0.005 -14.634 0.000) 14.634 3.622 ( -3.535 -10.962 0.000) 11.517 3.746 ( -1.949 6.582 0.000) 6.864 3.794 ( -2.060 10.368 0.000) 10.571 3.859 ( -2.518 1.633 0.000) 3.001 4.426 ( 1.288 -1.761 0.000) 2.182 4.460 ( -0.608 -4.551 0.000) 4.591 4.927 ( 11.381 4.864 0.000) 12.377 4.927 ( -1.512 -2.837 0.000) 3.215 4.992 ( -4.210 -7.657 0.000) 8.738 5.450 ( -10.940 3.058 0.000) 11.360 5.657 ( 4.544 8.193 0.000) 9.369 5.857 ( -2.502 1.558 0.000) 2.947 6.087 ( 6.498 4.861 0.000) 8.115 6.589 ( -17.208 -3.384 0.000) 17.538 6.943 ( 18.644 -9.039 0.000) 20.719 7.692 ( -13.028 -4.802 0.000) 13.885 8.202 ( 3.521 -9.736 0.000) 10.353 8.384 ( -4.963 -0.389 0.000) 4.978 8.796 ( 8.921 -10.453 0.000) 13.742 8.949 ( 3.022 -0.035 0.000) 3.022 10.912 ( -1.896 -24.565 0.000) 24.638 10.936 ( -1.519 -22.909 0.000) 22.959 11.910 ( -0.463 -24.429 0.000) 24.434 11.950 ( -1.343 -22.355 0.000) 22.395 14.531 ( 3.215 25.703 0.000) 25.903 14.800 ( -10.637 16.414 0.000) 19.559 15.720 ( 4.915 -7.241 0.000) 8.752 15.809 ( -0.200 -4.595 0.000) 4.600 ======================= Grid point 31 (20/140) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -3.290 16.431 0.000) 16.757 1.677 ( 3.290 16.431 0.000) 16.757 1.906 ( -10.773 14.446 0.000) 18.020 1.906 ( 10.773 14.446 0.000) 18.020 2.216 ( -5.880 8.414 0.000) 10.265 2.216 ( 5.880 8.414 0.000) 10.265 3.310 ( -12.480 -4.108 0.000) 13.139 3.310 ( 12.480 -4.108 0.000) 13.139 3.683 ( -5.415 -6.321 0.000) 8.323 3.683 ( 5.415 -6.321 0.000) 8.323 3.786 ( -2.198 7.277 0.000) 7.602 3.786 ( 2.198 7.277 0.000) 7.602 4.449 ( -0.836 -1.996 0.000) 2.164 4.449 ( 0.836 -1.996 0.000) 2.164 4.915 ( -1.190 -3.642 0.000) 3.832 4.915 ( 1.190 -3.642 0.000) 3.832 5.196 ( -13.181 2.913 0.000) 13.499 5.196 ( 13.181 2.913 0.000) 13.499 5.768 ( -5.539 5.131 0.000) 7.551 5.768 ( 5.539 5.131 0.000) 7.551 6.281 ( -12.370 1.052 0.000) 12.415 6.281 ( 12.370 1.052 0.000) 12.415 7.352 ( -19.271 -10.536 0.000) 21.963 7.352 ( 19.271 -10.536 0.000) 21.963 8.282 ( -4.442 -4.242 0.000) 6.142 8.282 ( 4.442 -4.242 0.000) 6.142 8.938 ( -4.182 -6.206 0.000) 7.483 8.938 ( 4.182 -6.206 0.000) 7.483 10.905 ( -1.055 -22.811 0.000) 22.835 10.905 ( 1.055 -22.811 0.000) 22.835 11.920 ( -1.246 -22.890 0.000) 22.924 11.920 ( 1.246 -22.890 0.000) 22.924 14.626 ( -6.286 22.177 0.000) 23.050 14.626 ( 6.286 22.177 0.000) 23.050 15.789 ( -1.968 -6.368 0.000) 6.665 15.789 ( 1.968 -6.368 0.000) 6.665 ======================= Grid point 35 (21/140) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.000 12.195 0.000) 12.195 1.941 ( 0.000 18.206 0.000) 18.206 2.027 ( 0.000 4.480 0.000) 4.480 2.064 ( 0.000 8.418 0.000) 8.418 2.340 ( 0.000 0.179 0.000) 0.179 2.501 ( 0.000 -1.010 0.000) 1.010 2.605 ( 0.000 6.578 0.000) 6.578 3.199 ( 0.000 -7.288 0.000) 7.288 3.682 ( 0.000 0.965 0.000) 0.965 3.867 ( 0.000 2.202 0.000) 2.202 4.024 ( 0.000 5.237 0.000) 5.237 4.029 ( 0.000 5.946 0.000) 5.946 4.374 ( 0.000 -4.715 0.000) 4.715 4.407 ( 0.000 3.028 0.000) 3.028 4.649 ( 0.000 -13.483 0.000) 13.483 4.835 ( 0.000 -6.476 0.000) 6.476 4.900 ( 0.000 11.295 0.000) 11.295 5.577 ( 0.000 -10.431 0.000) 10.431 5.796 ( 0.000 6.478 0.000) 6.478 5.816 ( 0.000 9.539 0.000) 9.539 6.251 ( 0.000 9.600 0.000) 9.600 6.611 ( 0.000 -0.996 0.000) 0.996 6.981 ( 0.000 -8.823 0.000) 8.823 7.647 ( 0.000 -28.555 0.000) 28.555 8.054 ( 0.000 10.133 0.000) 10.133 8.309 ( 0.000 -5.227 0.000) 5.227 8.706 ( 0.000 10.164 0.000) 10.164 8.825 ( 0.000 2.034 0.000) 2.034 10.608 ( 0.000 -12.090 0.000) 12.090 10.633 ( 0.000 -7.812 0.000) 7.812 11.400 ( 0.000 -28.518 0.000) 28.518 11.496 ( 0.000 -25.908 0.000) 25.908 14.946 ( 0.000 20.808 0.000) 20.808 15.314 ( 0.000 2.023 0.000) 2.023 15.378 ( 0.000 -2.236 0.000) 2.236 15.703 ( 0.000 -7.175 0.000) 7.175 ======================= Grid point 36 (22/140) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 3.785 12.313 0.000) 12.881 1.945 ( 0.388 17.680 0.000) 17.684 2.037 ( 1.662 10.309 0.000) 10.442 2.126 ( 4.494 5.538 0.000) 7.132 2.349 ( 0.789 0.534 0.000) 0.953 2.539 ( -6.115 6.696 0.000) 9.068 2.637 ( 12.086 -3.147 0.000) 12.489 3.201 ( 0.654 -7.194 0.000) 7.224 3.620 ( -5.050 2.528 0.000) 5.647 3.859 ( -0.862 3.346 0.000) 3.456 3.997 ( -2.138 5.760 0.000) 6.144 4.011 ( -1.741 4.804 0.000) 5.109 4.375 ( 1.668 -1.378 0.000) 2.164 4.409 ( 0.188 1.950 0.000) 1.959 4.753 ( 6.421 -12.974 0.000) 14.476 4.842 ( 0.474 -6.786 0.000) 6.803 4.941 ( 4.141 11.036 0.000) 11.788 5.647 ( 6.471 -10.931 0.000) 12.702 5.724 ( -6.260 6.482 0.000) 9.011 5.809 ( -0.803 8.700 0.000) 8.737 6.239 ( -1.013 10.111 0.000) 10.162 6.621 ( 2.192 -2.808 0.000) 3.562 6.812 ( -13.320 -5.927 0.000) 14.579 7.608 ( -6.624 -30.990 0.000) 31.690 8.081 ( 4.818 11.756 0.000) 12.705 8.424 ( 8.554 -6.013 0.000) 10.457 8.604 ( -7.445 7.551 0.000) 10.604 8.885 ( 2.801 0.240 0.000) 2.811 10.596 ( -0.804 -10.536 0.000) 10.566 10.643 ( 0.767 -7.326 0.000) 7.366 11.401 ( 0.264 -27.421 0.000) 27.422 11.494 ( -0.316 -25.578 0.000) 25.580 14.951 ( 0.423 20.261 0.000) 20.265 15.194 ( -7.001 5.926 0.000) 9.172 15.474 ( 5.118 -5.241 0.000) 7.326 15.698 ( -0.505 -7.486 0.000) 7.503 ======================= Grid point 37 (23/140) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 6.623 11.831 0.000) 13.559 1.961 ( 1.417 16.664 0.000) 16.724 2.072 ( 1.450 15.450 0.000) 15.517 2.235 ( 5.892 4.411 0.000) 7.360 2.339 ( -5.228 8.167 0.000) 9.697 2.398 ( -4.007 2.064 0.000) 4.507 2.920 ( 13.423 -7.922 0.000) 15.587 3.221 ( -0.213 -11.905 0.000) 11.907 3.553 ( 1.127 8.850 0.000) 8.921 3.822 ( -3.370 6.084 0.000) 6.955 3.954 ( -1.764 6.325 0.000) 6.566 3.961 ( -2.675 4.432 0.000) 5.177 4.417 ( 0.722 0.676 0.000) 0.989 4.434 ( 2.562 1.885 0.000) 3.181 4.823 ( 0.621 -8.618 0.000) 8.640 4.844 ( -0.395 -6.315 0.000) 6.327 5.075 ( 8.935 9.404 0.000) 12.972 5.549 ( -10.631 7.108 0.000) 12.788 5.789 ( 5.481 -7.749 0.000) 9.492 5.806 ( 0.895 6.121 0.000) 6.186 6.227 ( 0.708 8.456 0.000) 8.486 6.528 ( -13.063 -1.976 0.000) 13.211 6.763 ( 12.120 -9.555 0.000) 15.433 7.387 ( -13.600 -25.240 0.000) 28.671 8.199 ( 5.209 7.187 0.000) 8.876 8.437 ( -8.056 5.365 0.000) 9.678 8.606 ( 8.681 -8.120 0.000) 11.887 8.887 ( -2.997 -6.205 0.000) 6.891 10.594 ( 0.916 -7.167 0.000) 7.226 10.651 ( -0.326 -6.109 0.000) 6.118 11.417 ( 1.405 -25.358 0.000) 25.397 11.481 ( -0.981 -24.795 0.000) 24.815 14.963 ( 0.849 18.589 0.000) 18.609 15.067 ( -5.039 11.285 0.000) 12.359 15.567 ( 3.944 -8.024 0.000) 8.941 15.679 ( -1.450 -8.243 0.000) 8.370 ======================= Grid point 38 (24/140) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -0.748 14.812 0.000) 14.831 1.994 ( 0.748 14.812 0.000) 14.831 2.164 ( -8.439 13.173 0.000) 15.644 2.164 ( 8.439 13.173 0.000) 15.644 2.344 ( -3.939 2.866 0.000) 4.871 2.344 ( 3.939 2.866 0.000) 4.871 3.139 ( -7.540 -12.838 0.000) 14.889 3.139 ( 7.540 -12.838 0.000) 14.889 3.687 ( -9.134 9.386 0.000) 13.097 3.687 ( 9.134 9.386 0.000) 13.097 3.933 ( -0.110 6.044 0.000) 6.045 3.933 ( 0.110 6.044 0.000) 6.045 4.442 ( -1.316 1.146 0.000) 1.745 4.442 ( 1.316 1.146 0.000) 1.745 4.829 ( -0.721 -5.616 0.000) 5.662 4.829 ( 0.721 -5.616 0.000) 5.662 5.302 ( -12.474 8.189 0.000) 14.922 5.302 ( 12.474 8.189 0.000) 14.922 5.834 ( -0.757 0.645 0.000) 0.995 5.834 ( 0.757 0.645 0.000) 0.995 6.309 ( -7.608 2.586 0.000) 8.036 6.309 ( 7.608 2.586 0.000) 8.036 7.074 ( -16.357 -18.253 0.000) 24.510 7.074 ( 16.357 -18.253 0.000) 24.510 8.299 ( -5.289 5.163 0.000) 7.391 8.299 ( 5.289 5.163 0.000) 7.391 8.773 ( -7.365 -9.649 0.000) 12.138 8.773 ( 7.365 -9.649 0.000) 12.138 10.627 ( -1.806 -5.427 0.000) 5.720 10.627 ( 1.806 -5.427 0.000) 5.720 11.452 ( -1.738 -24.376 0.000) 24.437 11.452 ( 1.738 -24.376 0.000) 24.437 14.992 ( -2.272 15.645 0.000) 15.809 14.992 ( 2.272 15.645 0.000) 15.809 15.636 ( -2.734 -8.788 0.000) 9.203 15.636 ( 2.734 -8.788 0.000) 9.203 ======================= Grid point 42 (25/140) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 0.000 7.124 0.000) 7.124 2.051 ( 0.000 -1.921 0.000) 1.921 2.202 ( 0.000 8.187 0.000) 8.187 2.247 ( 0.000 9.722 0.000) 9.722 2.297 ( 0.000 -3.067 0.000) 3.067 2.417 ( 0.000 -7.050 0.000) 7.050 2.771 ( 0.000 10.955 0.000) 10.955 3.012 ( 0.000 -12.323 0.000) 12.323 3.875 ( 0.000 14.092 0.000) 14.092 3.928 ( 0.000 4.531 0.000) 4.531 4.034 ( 0.000 -4.626 0.000) 4.626 4.057 ( 0.000 -3.091 0.000) 3.091 4.366 ( 0.000 2.600 0.000) 2.600 4.448 ( 0.000 -6.348 0.000) 6.348 4.508 ( 0.000 7.330 0.000) 7.330 4.681 ( 0.000 -9.255 0.000) 9.255 5.135 ( 0.000 12.022 0.000) 12.022 5.364 ( 0.000 -11.315 0.000) 11.315 5.913 ( 0.000 4.580 0.000) 4.580 5.940 ( 0.000 2.537 0.000) 2.537 6.426 ( 0.000 7.963 0.000) 7.963 6.553 ( 0.000 -4.839 0.000) 4.839 6.899 ( 0.000 2.352 0.000) 2.352 7.128 ( 0.000 -20.934 0.000) 20.934 8.204 ( 0.000 4.240 0.000) 4.240 8.249 ( 0.000 -1.578 0.000) 1.578 8.842 ( 0.000 3.472 0.000) 3.472 8.858 ( 0.000 1.037 0.000) 1.037 10.567 ( 0.000 8.025 0.000) 8.025 10.665 ( 0.000 10.699 0.000) 10.699 10.884 ( 0.000 -22.852 0.000) 22.852 11.008 ( 0.000 -22.789 0.000) 22.789 15.289 ( 0.000 14.591 0.000) 14.591 15.337 ( 0.000 0.627 0.000) 0.627 15.349 ( 0.000 -0.846 0.000) 0.846 15.530 ( 0.000 -10.439 0.000) 10.439 ======================= Grid point 43 (26/140) ======================= q-point: ( 0.17 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 4.296 8.020 0.000) 9.098 2.114 ( 5.337 -2.372 0.000) 5.840 2.204 ( 0.209 8.474 0.000) 8.477 2.299 ( 4.381 11.673 0.000) 12.468 2.307 ( 0.996 -3.335 0.000) 3.481 2.510 ( 8.260 -9.243 0.000) 12.396 2.718 ( -4.799 12.089 0.000) 13.007 2.987 ( -2.304 -14.025 0.000) 14.213 3.866 ( -0.426 16.164 0.000) 16.170 3.942 ( 1.117 4.913 0.000) 5.039 4.027 ( -0.635 -2.664 0.000) 2.739 4.051 ( -0.578 -1.846 0.000) 1.934 4.418 ( 4.818 4.525 0.000) 6.610 4.484 ( -1.753 6.495 0.000) 6.728 4.539 ( 7.037 -8.294 0.000) 10.877 4.669 ( -0.821 -10.705 0.000) 10.737 5.173 ( 3.836 12.349 0.000) 12.931 5.417 ( 5.310 -12.361 0.000) 13.454 5.855 ( -5.007 6.138 0.000) 7.922 5.914 ( -2.343 1.223 0.000) 2.644 6.417 ( -0.840 7.887 0.000) 7.932 6.544 ( -0.254 -5.125 0.000) 5.132 6.779 ( -9.986 4.396 0.000) 10.911 7.048 ( -7.363 -23.196 0.000) 24.337 8.259 ( 4.909 6.209 0.000) 7.915 8.343 ( 6.969 -3.224 0.000) 7.679 8.742 ( -7.406 6.398 0.000) 9.786 8.847 ( -3.190 -4.003 0.000) 5.118 10.583 ( 1.605 8.935 0.000) 9.078 10.677 ( 1.031 10.459 0.000) 10.509 10.903 ( 1.751 -22.316 0.000) 22.385 11.012 ( 0.395 -22.352 0.000) 22.355 15.284 ( -0.432 14.261 0.000) 14.267 15.294 ( -2.372 4.502 0.000) 5.089 15.380 ( 1.500 -4.489 0.000) 4.733 15.523 ( -0.772 -10.423 0.000) 10.452 ======================= Grid point 44 (27/140) ======================= q-point: ( 0.33 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 5.777 8.191 0.000) 10.023 2.215 ( 0.855 8.850 0.000) 8.891 2.235 ( 5.727 -3.313 0.000) 6.617 2.333 ( 1.053 -3.969 0.000) 4.106 2.393 ( 4.176 16.241 0.000) 16.769 2.595 ( -6.523 15.076 0.000) 16.427 2.697 ( 8.458 -14.192 0.000) 16.521 2.923 ( -3.782 -17.206 0.000) 17.617 3.880 ( 2.084 16.973 0.000) 17.101 3.960 ( 0.212 5.898 0.000) 5.902 4.012 ( -0.556 0.524 0.000) 0.764 4.034 ( -0.991 0.482 0.000) 1.102 4.465 ( 0.494 5.730 0.000) 5.751 4.514 ( 2.819 5.982 0.000) 6.613 4.657 ( 3.330 -8.177 0.000) 8.829 4.664 ( 0.509 -11.879 0.000) 11.890 5.303 ( 8.903 13.678 0.000) 16.320 5.578 ( 9.664 -13.336 0.000) 16.469 5.723 ( -7.942 9.860 0.000) 12.661 5.856 ( -3.170 -2.032 0.000) 3.765 6.396 ( -0.899 8.724 0.000) 8.770 6.559 ( -10.064 6.889 0.000) 12.196 6.574 ( 3.499 -9.539 0.000) 10.160 6.863 ( -9.539 -24.143 0.000) 25.959 8.357 ( 3.932 7.439 0.000) 8.414 8.479 ( 5.799 -5.565 0.000) 8.037 8.571 ( -8.286 7.813 0.000) 11.389 8.733 ( -7.064 -8.619 0.000) 11.144 10.631 ( 2.827 10.220 0.000) 10.604 10.695 ( 0.369 10.256 0.000) 10.262 10.951 ( 2.700 -21.293 0.000) 21.463 11.018 ( -0.117 -21.429 0.000) 21.429 15.256 ( -1.023 8.510 0.000) 8.572 15.270 ( -0.898 13.264 0.000) 13.295 15.413 ( 1.853 -7.785 0.000) 8.003 15.497 ( -1.693 -10.285 0.000) 10.424 ======================= Grid point 45 (28/140) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -2.329 7.776 0.000) 8.118 2.210 ( 2.329 7.776 0.000) 8.118 2.324 ( -2.413 -3.922 0.000) 4.605 2.324 ( 2.413 -3.922 0.000) 4.605 2.476 ( -4.645 18.178 0.000) 18.762 2.476 ( 4.645 18.178 0.000) 18.762 2.834 ( -5.092 -17.679 0.000) 18.398 2.834 ( 5.092 -17.679 0.000) 18.398 3.935 ( -2.494 10.841 0.000) 11.124 3.935 ( 2.494 10.841 0.000) 11.124 4.015 ( -0.747 1.634 0.000) 1.796 4.015 ( 0.747 1.634 0.000) 1.796 4.505 ( -2.642 6.312 0.000) 6.843 4.505 ( 2.642 6.312 0.000) 6.843 4.680 ( -0.463 -9.567 0.000) 9.578 4.680 ( 0.463 -9.567 0.000) 9.578 5.522 ( -11.250 13.633 0.000) 17.676 5.522 ( 11.250 13.633 0.000) 17.676 5.761 ( -6.885 -8.634 0.000) 11.043 5.761 ( 6.885 -8.634 0.000) 11.043 6.413 ( -3.551 8.901 0.000) 9.583 6.413 ( 3.551 8.901 0.000) 9.583 6.686 ( -7.266 -18.874 0.000) 20.224 6.686 ( 7.266 -18.874 0.000) 20.224 8.436 ( -4.642 7.884 0.000) 9.149 8.436 ( 4.642 7.884 0.000) 9.149 8.594 ( -5.993 -8.462 0.000) 10.370 8.594 ( 5.993 -8.462 0.000) 10.370 10.682 ( -1.735 10.448 0.000) 10.591 10.682 ( 1.735 10.448 0.000) 10.591 11.000 ( -1.716 -20.883 0.000) 20.954 11.000 ( 1.716 -20.883 0.000) 20.954 15.253 ( -0.569 11.446 0.000) 11.460 15.253 ( 0.569 11.446 0.000) 11.460 15.456 ( -2.214 -9.626 0.000) 9.877 15.456 ( 2.214 -9.626 0.000) 9.877 ======================= Grid point 91 (29/140) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 0.000 0.000 17.001) 17.001 0.354 ( 0.000 0.000 18.445) 18.445 0.630 ( 0.000 0.000 32.425) 32.425 1.578 ( 0.000 0.000 -0.848) 0.848 1.751 ( 0.000 0.000 1.643) 1.643 1.878 ( 0.000 0.000 2.307) 2.307 2.333 ( 0.000 0.000 0.228) 0.228 2.449 ( 0.000 0.000 -0.206) 0.206 2.824 ( 0.000 0.000 -9.400) 9.400 3.936 ( 0.000 0.000 -4.111) 4.111 4.006 ( 0.000 0.000 5.251) 5.251 4.238 ( 0.000 0.000 4.207) 4.207 4.374 ( 0.000 0.000 -1.223) 1.223 4.653 ( 0.000 0.000 -3.303) 3.303 4.902 ( 0.000 0.000 -7.285) 7.285 5.028 ( 0.000 0.000 15.633) 15.633 5.349 ( 0.000 0.000 3.912) 3.912 5.606 ( 0.000 0.000 -5.728) 5.728 5.650 ( 0.000 0.000 -7.707) 7.707 5.893 ( 0.000 0.000 -5.666) 5.666 6.213 ( 0.000 0.000 11.745) 11.745 6.868 ( 0.000 0.000 9.454) 9.454 8.110 ( 0.000 0.000 2.248) 2.248 8.162 ( 0.000 0.000 -5.150) 5.150 8.612 ( 0.000 0.000 3.490) 3.490 9.102 ( 0.000 0.000 0.491) 0.491 9.172 ( 0.000 0.000 7.284) 7.284 9.921 ( 0.000 0.000 1.097) 1.097 11.069 ( 0.000 0.000 -2.411) 2.411 11.149 ( 0.000 0.000 -9.976) 9.976 13.147 ( 0.000 0.000 0.780) 0.780 13.151 ( 0.000 0.000 1.610) 1.610 13.471 ( 0.000 0.000 -2.280) 2.280 13.641 ( 0.000 0.000 -1.744) 1.744 14.591 ( 0.000 0.000 6.706) 6.706 16.077 ( 0.000 0.000 -4.942) 4.942 ======================= Grid point 92 (30/140) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 15.167 0.000 9.813) 18.065 0.574 ( 17.943 0.000 8.971) 20.060 0.891 ( 21.471 0.000 18.369) 28.256 1.545 ( -3.336 0.000 -0.495) 3.372 1.647 ( -7.534 0.000 -0.158) 7.535 2.207 ( 21.065 0.000 -2.348) 21.196 2.341 ( 0.707 0.000 0.145) 0.721 2.441 ( -0.711 0.000 -0.210) 0.742 2.674 ( -9.718 0.000 -3.441) 10.309 3.837 ( -9.578 0.000 -4.022) 10.388 4.043 ( 3.840 0.000 3.815) 5.413 4.419 ( 4.254 0.000 -1.254) 4.435 4.529 ( 11.617 0.000 -18.332) 21.703 4.674 ( 1.774 0.000 -3.045) 3.524 4.898 ( -1.412 0.000 -2.900) 3.226 5.013 ( 2.921 0.000 8.144) 8.652 5.258 ( -6.506 0.000 4.521) 7.922 5.572 ( -2.904 0.000 -6.178) 6.826 5.627 ( -2.277 0.000 -7.429) 7.770 5.806 ( -4.536 0.000 4.241) 6.210 6.249 ( -1.685 0.000 28.870) 28.919 6.810 ( -4.668 0.000 9.257) 10.367 7.607 ( 4.123 0.000 17.369) 17.852 8.601 ( 0.502 0.000 -3.368) 3.406 8.967 ( 11.853 0.000 -6.714) 13.622 9.105 ( 1.102 0.000 -0.945) 1.452 9.219 ( 4.472 0.000 6.891) 8.215 9.866 ( -5.188 0.000 1.570) 5.420 11.099 ( 5.553 0.000 -20.769) 21.499 11.407 ( 10.394 0.000 -26.698) 28.650 13.152 ( 0.865 0.000 0.197) 0.887 13.190 ( 3.653 0.000 1.298) 3.877 13.457 ( -2.276 0.000 -1.737) 2.863 13.613 ( -2.677 0.000 -1.578) 3.107 14.796 ( 13.447 0.000 -2.934) 13.763 15.799 ( -16.919 0.000 10.821) 20.084 ======================= Grid point 93 (31/140) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 15.777 0.000 9.831) 18.589 0.940 ( 16.604 0.000 4.263) 17.143 1.385 ( 15.032 0.000 7.724) 16.901 1.436 ( -7.375 0.000 0.467) 7.389 1.482 ( 1.304 0.000 -2.207) 2.564 2.362 ( 1.295 0.000 -0.026) 1.295 2.394 ( -15.593 0.000 -3.543) 15.991 2.421 ( -1.271 0.000 -0.207) 1.288 2.682 ( 21.904 0.000 -0.918) 21.923 3.555 ( -17.330 0.000 -3.866) 17.756 4.173 ( 8.694 0.000 0.302) 8.699 4.535 ( 6.461 0.000 -1.353) 6.601 4.571 ( -5.782 0.000 -11.267) 12.664 4.702 ( 0.121 0.000 -2.326) 2.329 4.871 ( 1.543 0.000 -2.184) 2.674 5.110 ( -6.767 0.000 0.270) 6.772 5.215 ( 12.656 0.000 -0.594) 12.670 5.512 ( -2.226 0.000 -6.851) 7.204 5.564 ( -3.486 0.000 -7.270) 8.063 5.679 ( -8.051 0.000 10.560) 13.279 6.257 ( 3.940 0.000 34.092) 34.319 6.639 ( -11.171 0.000 18.597) 21.694 7.923 ( 20.654 0.000 6.653) 21.699 8.566 ( -5.560 0.000 -6.595) 8.626 9.003 ( -0.628 0.000 11.863) 11.880 9.110 ( -2.162 0.000 -1.453) 2.605 9.349 ( 7.887 0.000 5.822) 9.803 9.720 ( -8.582 0.000 2.791) 9.024 11.250 ( 8.229 0.000 -23.007) 24.434 11.488 ( -1.023 0.000 -27.829) 27.848 13.191 ( 3.024 0.000 -0.686) 3.101 13.291 ( 5.850 0.000 0.535) 5.874 13.379 ( -4.869 0.000 -0.919) 4.955 13.534 ( -4.901 0.000 -1.095) 5.021 15.044 ( 10.982 0.000 -1.664) 11.108 15.503 ( -12.441 0.000 8.710) 15.187 ======================= Grid point 94 (32/140) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -14.066 0.000 7.857) 16.112 1.184 ( 14.066 0.000 7.857) 16.112 1.237 ( -12.090 0.000 1.947) 12.246 1.237 ( 12.090 0.000 1.947) 12.246 1.969 ( -24.590 0.000 -2.529) 24.720 1.969 ( 24.590 0.000 -2.529) 24.720 2.391 ( -1.508 0.000 -0.157) 1.517 2.391 ( 1.508 0.000 -0.157) 1.517 3.145 ( -21.922 0.000 -2.807) 22.101 3.145 ( 21.922 0.000 -2.807) 22.101 4.382 ( -10.830 0.000 -3.755) 11.462 4.382 ( 10.830 0.000 -3.755) 11.462 4.656 ( -4.562 0.000 -1.630) 4.844 4.656 ( 4.562 0.000 -1.630) 4.844 4.964 ( -6.548 0.000 -3.792) 7.567 4.964 ( 6.548 0.000 -3.792) 7.567 5.478 ( -11.600 0.000 5.798) 12.969 5.478 ( 11.600 0.000 5.798) 12.969 5.505 ( -1.643 0.000 -7.244) 7.428 5.505 ( 1.643 0.000 -7.244) 7.428 6.407 ( -10.157 0.000 28.290) 30.058 6.407 ( 10.157 0.000 28.290) 30.058 8.328 ( -16.972 0.000 0.867) 16.994 8.328 ( 16.972 0.000 0.867) 16.994 9.040 ( -3.658 0.000 4.511) 5.808 9.040 ( 3.658 0.000 4.511) 5.808 9.531 ( -9.436 0.000 4.342) 10.388 9.531 ( 9.436 0.000 4.342) 10.388 11.406 ( -6.316 0.000 -24.477) 25.279 11.406 ( 6.316 0.000 -24.477) 25.279 13.275 ( -4.878 0.000 -0.888) 4.958 13.275 ( 4.878 0.000 -0.888) 4.958 13.418 ( -6.148 0.000 -0.346) 6.158 13.418 ( 6.148 0.000 -0.346) 6.158 15.266 ( -10.901 0.000 3.067) 11.324 15.266 ( 10.901 0.000 3.067) 11.324 ======================= Grid point 98 (33/140) ======================= q-point: ( 0.00 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.000 16.497 10.965) 19.808 0.609 ( 0.000 12.449 16.735) 20.857 0.730 ( 0.000 17.795 17.745) 25.130 1.628 ( 0.000 4.443 -0.701) 4.498 1.747 ( 0.000 0.801 2.556) 2.678 1.894 ( 0.000 3.575 0.685) 3.640 2.312 ( 0.000 -0.522 1.487) 1.576 2.609 ( 0.000 14.941 -1.421) 15.008 2.919 ( 0.000 12.635 -4.474) 13.403 3.944 ( 0.000 0.561 -4.054) 4.092 3.996 ( 0.000 -1.088 5.473) 5.581 4.262 ( 0.000 2.476 4.091) 4.782 4.602 ( 0.000 -4.511 -2.822) 5.321 4.696 ( 0.000 12.237 -20.972) 24.281 4.832 ( 0.000 -8.410 -3.483) 9.103 5.049 ( 0.000 3.062 9.644) 10.119 5.537 ( 0.000 3.033 -1.279) 3.291 5.623 ( 0.000 10.931 -1.930) 11.100 5.643 ( 0.000 -1.406 -3.202) 3.497 5.892 ( 0.000 -0.298 -4.214) 4.225 6.262 ( 0.000 4.887 9.259) 10.470 6.702 ( 0.000 -33.962 22.004) 40.467 7.151 ( 0.000 -20.634 24.765) 32.235 8.101 ( 0.000 -1.031 0.483) 1.139 8.626 ( 0.000 1.423 2.204) 2.623 8.797 ( 0.000 -30.112 7.594) 31.055 9.053 ( 0.000 -5.616 -0.279) 5.623 9.198 ( 0.000 -10.703 7.796) 13.241 11.553 ( 0.000 33.482 -8.131) 34.455 12.845 ( 0.000 -1.210 -30.834) 30.857 12.882 ( 0.000 -24.685 1.254) 24.716 13.153 ( 0.000 -9.988 -1.929) 10.173 13.443 ( 0.000 -2.278 -2.003) 3.033 14.031 ( 0.000 64.583 -52.315) 83.113 14.734 ( 0.000 12.256 6.814) 14.023 15.973 ( 0.000 -6.661 3.141) 7.365 ======================= Grid point 99 (34/140) ======================= q-point: ( 0.17 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 9.475 8.838 7.510) 14.976 0.721 ( 9.707 6.872 16.411) 20.267 1.055 ( 20.710 15.327 8.092) 27.005 1.572 ( -5.488 -0.345 1.028) 5.594 1.617 ( -4.530 3.734 1.738) 6.123 2.206 ( 18.634 1.243 -1.093) 18.707 2.299 ( -1.201 -1.427 1.431) 2.351 2.617 ( 1.173 15.581 -1.898) 15.740 2.855 ( -5.505 15.641 -3.314) 16.909 3.847 ( -9.111 0.915 -4.351) 10.138 4.033 ( 3.844 -1.096 4.066) 5.702 4.365 ( 7.318 0.154 0.636) 7.347 4.617 ( 1.232 -4.464 -3.159) 5.606 4.688 ( -1.953 5.029 -13.954) 14.961 4.821 ( 0.006 -6.668 -5.135) 8.416 5.078 ( 3.777 4.799 5.642) 8.314 5.333 ( -13.570 5.112 0.702) 14.518 5.558 ( -3.043 -0.182 -3.687) 4.784 5.629 ( -2.657 0.991 -1.574) 3.243 5.850 ( -3.422 3.650 1.919) 5.359 6.145 ( -3.647 -12.048 31.447) 33.873 6.826 ( -1.921 0.565 6.165) 6.482 7.301 ( 17.465 -22.803 15.740) 32.753 8.536 ( 20.785 -14.920 -6.048) 26.290 8.628 ( 6.333 -19.441 -3.542) 20.751 8.846 ( 4.388 -20.863 9.260) 23.244 9.030 ( -1.254 -7.552 1.694) 7.841 9.201 ( -0.030 -9.507 5.801) 11.137 11.601 ( 4.604 33.981 -9.378) 35.550 12.640 ( -18.919 26.297 -34.014) 46.972 12.885 ( 0.392 -25.831 1.270) 25.865 13.141 ( -1.199 -14.534 -1.739) 14.687 13.391 ( -5.092 2.463 -2.842) 6.330 13.610 ( -17.836 23.108 -6.761) 29.963 15.028 ( 14.965 19.145 -7.814) 25.526 15.846 ( -9.333 3.158 6.588) 11.853 ======================= Grid point 100 (35/140) ======================= q-point: ( 0.33 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 16.600 1.224 4.279) 17.187 0.965 ( 13.034 2.174 10.557) 16.913 1.406 ( -1.933 0.879 8.093) 8.367 1.465 ( -2.642 4.396 -1.641) 5.385 1.564 ( 11.058 8.173 0.116) 13.751 2.214 ( -7.366 -4.348 0.851) 8.595 2.513 ( 6.451 8.106 -0.585) 10.377 2.677 ( -2.452 16.803 -4.758) 17.635 2.798 ( 11.721 12.712 0.001) 17.291 3.580 ( -16.453 2.334 -4.252) 17.153 4.157 ( 7.970 -1.883 0.751) 8.223 4.480 ( 0.942 -3.080 -4.442) 5.487 4.600 ( -3.257 -0.180 -2.280) 3.980 4.642 ( 0.709 -4.706 -1.936) 5.138 4.863 ( 3.572 -1.504 -7.727) 8.645 5.107 ( -8.591 -0.646 -1.568) 8.757 5.227 ( 9.718 1.884 2.792) 10.285 5.512 ( -1.212 0.022 -3.794) 3.983 5.555 ( -3.825 -1.476 2.583) 4.846 5.734 ( -7.563 5.092 3.748) 9.858 6.173 ( 6.011 -8.260 31.103) 32.738 6.643 ( -12.877 0.443 15.711) 20.319 7.750 ( 23.188 -16.061 5.822) 28.801 8.484 ( -9.783 -11.487 -3.004) 15.385 8.904 ( 5.818 -13.006 8.012) 16.346 9.009 ( 5.905 -16.065 -4.941) 17.815 9.055 ( 5.550 -17.296 -0.403) 18.170 9.191 ( -0.716 -15.738 3.694) 16.182 11.735 ( 8.221 35.395 -13.002) 38.593 12.232 ( -17.538 42.502 -25.846) 52.744 12.914 ( 2.657 -28.487 0.974) 28.627 13.090 ( -3.965 -25.978 -1.325) 26.312 13.304 ( -1.406 2.165 -0.067) 2.582 13.417 ( -5.397 -1.312 1.903) 5.871 15.273 ( 9.974 18.265 -4.127) 21.216 15.653 ( -9.227 11.649 4.653) 15.572 ======================= Grid point 101 (36/140) ======================= q-point: (-0.50 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -6.044 -1.639 5.460) 8.309 1.128 ( 6.044 -1.639 5.460) 8.309 1.313 ( -5.324 5.176 4.693) 8.784 1.313 ( 5.324 5.176 4.693) 8.784 1.952 ( -17.880 0.117 -0.633) 17.892 1.952 ( 17.880 0.117 -0.633) 17.892 2.585 ( -3.341 16.654 -1.535) 17.055 2.585 ( 3.341 16.654 -1.535) 17.055 3.191 ( -20.630 4.624 -3.024) 21.357 3.191 ( 20.630 4.624 -3.024) 21.357 4.344 ( -9.613 -4.005 -2.569) 10.726 4.344 ( 9.613 -4.005 -2.569) 10.726 4.631 ( -2.143 -2.127 -1.464) 3.356 4.631 ( 2.143 -2.127 -1.464) 3.356 4.958 ( -5.853 -0.704 -4.694) 7.536 4.958 ( 5.853 -0.704 -4.694) 7.536 5.421 ( -7.621 -2.864 2.670) 8.568 5.421 ( 7.621 -2.864 2.670) 8.568 5.579 ( -5.904 4.262 0.545) 7.302 5.579 ( 5.904 4.262 0.545) 7.302 6.369 ( -12.435 -3.439 24.192) 27.417 6.369 ( 12.435 -3.439 24.192) 27.417 8.189 ( -18.486 -14.332 1.741) 23.456 8.189 ( 18.486 -14.332 1.741) 23.456 9.005 ( -3.755 -3.298 3.048) 5.854 9.005 ( 3.755 -3.298 3.048) 5.854 9.159 ( -3.193 -24.191 -0.710) 24.411 9.159 ( 3.193 -24.191 -0.710) 24.411 11.938 ( -11.663 38.458 -18.430) 44.212 11.938 ( 11.663 38.458 -18.430) 44.212 12.994 ( -4.806 -29.786 -0.176) 30.172 12.994 ( 4.806 -29.786 -0.176) 30.172 13.329 ( -3.154 -1.441 1.120) 3.644 13.329 ( 3.154 -1.441 1.120) 3.644 15.466 ( -9.076 15.868 0.418) 18.285 15.466 ( 9.076 15.868 0.418) 18.285 ======================= Grid point 105 (37/140) ======================= q-point: ( 0.00 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.000 13.536 14.628) 19.930 0.896 ( 0.000 17.150 5.459) 17.998 1.194 ( 0.000 23.798 3.700) 24.084 1.710 ( 0.000 3.741 -0.686) 3.803 1.838 ( 0.000 8.588 4.480) 9.687 2.015 ( 0.000 8.296 -0.693) 8.325 2.347 ( 0.000 4.229 4.599) 6.248 2.968 ( 0.000 20.299 -4.360) 20.762 3.245 ( 0.000 18.837 -4.151) 19.289 3.937 ( 0.000 -1.966 -3.417) 3.943 3.959 ( 0.000 -2.783 5.394) 6.069 4.336 ( 0.000 5.093 3.653) 6.267 4.495 ( 0.000 -8.052 -5.472) 9.735 4.575 ( 0.000 -15.423 3.583) 15.834 4.820 ( 0.000 2.412 -14.432) 14.632 5.140 ( 0.000 5.640 2.014) 5.989 5.465 ( 0.000 -7.171 0.323) 7.178 5.571 ( 0.000 -6.018 3.445) 6.934 5.766 ( 0.000 -10.424 8.631) 13.533 5.884 ( 0.000 3.435 7.385) 8.145 6.064 ( 0.000 -15.402 -2.044) 15.537 6.389 ( 0.000 7.447 5.587) 9.310 7.194 ( 0.000 10.467 10.469) 14.804 7.987 ( 0.000 -17.565 -5.027) 18.270 8.299 ( 0.000 -10.554 10.235) 14.702 8.657 ( 0.000 1.395 -0.703) 1.562 8.902 ( 0.000 -9.598 0.892) 9.639 9.026 ( 0.000 -9.639 3.350) 10.205 12.164 ( 0.000 22.255 -6.097) 23.075 12.291 ( 0.000 -33.759 0.861) 33.770 12.340 ( 0.000 -37.574 -5.584) 37.987 12.844 ( 0.000 -17.532 0.980) 17.560 13.464 ( 0.000 8.261 -2.428) 8.611 14.922 ( 0.000 25.987 -42.989) 50.233 14.986 ( 0.000 12.230 7.094) 14.139 15.890 ( 0.000 -1.856 5.914) 6.199 ======================= Grid point 106 (38/140) ======================= q-point: ( 0.17 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 2.038 17.970 6.164) 19.106 0.900 ( 5.399 12.674 11.653) 18.044 1.385 ( 12.615 16.528 2.637) 20.959 1.606 ( -5.983 4.530 1.516) 7.656 1.767 ( -3.433 10.238 2.210) 11.022 2.259 ( 9.268 3.621 -0.224) 9.953 2.342 ( 5.954 6.154 4.026) 9.462 2.980 ( 1.329 20.243 -4.561) 20.793 3.212 ( -3.093 19.670 -2.823) 20.111 3.854 ( -7.719 -0.851 -4.103) 8.783 3.992 ( 3.229 -3.286 3.895) 6.033 4.406 ( 3.559 1.054 0.521) 3.748 4.510 ( 1.658 -9.486 -5.437) 11.058 4.542 ( -1.233 -9.827 5.635) 11.395 4.803 ( -1.178 0.932 -13.118) 13.203 5.150 ( 0.402 1.124 2.493) 2.764 5.346 ( -7.563 -1.791 -0.965) 7.832 5.572 ( -2.951 0.104 0.534) 3.000 5.660 ( -15.535 -7.239 8.341) 19.061 5.831 ( 5.591 -7.303 16.216) 18.643 5.919 ( -1.281 2.331 2.107) 3.393 6.769 ( 14.726 -5.047 -0.857) 15.591 7.116 ( -0.995 2.387 13.661) 13.903 8.090 ( 5.498 -24.820 -2.547) 25.548 8.411 ( 11.290 -5.327 4.051) 13.125 8.670 ( 0.896 -2.318 -2.987) 3.886 8.870 ( -1.445 -8.835 3.695) 9.685 9.062 ( 2.044 -7.479 2.083) 8.028 12.199 ( 2.934 18.393 -6.007) 19.570 12.271 ( -1.348 -34.118 0.930) 34.157 12.325 ( -1.335 -35.151 -5.616) 35.622 12.787 ( -5.165 -16.626 0.302) 17.412 13.456 ( -0.675 9.622 -2.006) 9.852 14.312 ( -31.463 30.299 -15.478) 46.341 15.377 ( 14.191 13.959 -11.484) 22.981 15.884 ( -0.968 0.678 4.145) 4.310 ======================= Grid point 107 (39/140) ======================= q-point: ( 0.33 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 11.669 12.830 3.714) 17.736 1.066 ( 9.678 8.983 9.276) 16.137 1.459 ( -4.322 5.096 6.411) 9.260 1.598 ( -3.614 8.707 -1.444) 9.537 1.756 ( 8.867 10.737 2.619) 14.170 2.192 ( -7.256 1.610 2.794) 7.940 2.685 ( 17.091 9.202 -1.542) 19.472 3.022 ( 1.362 18.554 -6.386) 19.669 3.146 ( -0.655 20.367 0.594) 20.386 3.631 ( -13.595 2.311 -4.395) 14.474 4.088 ( 5.687 -5.460 1.184) 7.972 4.347 ( -6.260 -12.955 -1.606) 14.478 4.551 ( 1.572 -4.333 -1.903) 4.987 4.592 ( 1.993 0.610 2.017) 2.900 4.822 ( 4.226 -1.939 -10.113) 11.131 5.079 ( -7.385 -2.260 -1.828) 7.937 5.271 ( 2.009 0.621 5.623) 6.004 5.489 ( -5.369 -4.321 6.410) 9.412 5.516 ( 1.474 -0.059 2.995) 3.339 5.827 ( -7.155 2.709 6.910) 10.309 6.013 ( 11.357 -4.072 13.516) 18.118 6.651 ( -15.998 0.015 8.603) 18.165 7.434 ( 22.289 -13.536 6.170) 26.797 8.090 ( -6.040 -21.811 0.349) 22.634 8.666 ( 7.933 -13.965 -0.557) 16.071 8.711 ( 5.364 -7.853 -3.876) 10.270 8.872 ( 1.994 -4.612 3.308) 6.016 9.070 ( -1.725 -3.946 0.272) 4.315 12.216 ( -0.621 -24.039 -2.131) 24.142 12.265 ( -1.695 -33.122 -3.119) 33.311 12.344 ( 5.614 0.575 -5.050) 7.573 12.653 ( -7.436 -11.565 -1.471) 13.828 13.447 ( 0.356 14.255 -1.789) 14.371 13.772 ( -19.682 31.818 -8.054) 38.271 15.595 ( 8.134 12.554 -5.819) 16.051 15.837 ( -3.656 5.840 1.113) 6.979 ======================= Grid point 108 (40/140) ======================= q-point: (-0.50 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -3.464 7.845 5.165) 10.011 1.185 ( 3.464 7.845 5.165) 10.011 1.439 ( -6.611 8.097 4.344) 11.320 1.439 ( 6.611 8.097 4.344) 11.320 1.997 ( -11.479 4.281 1.634) 12.360 1.997 ( 11.479 4.281 1.634) 12.360 2.940 ( -7.856 17.544 -3.655) 19.567 2.940 ( 7.856 17.544 -3.655) 19.567 3.324 ( -14.842 8.940 -2.508) 17.507 3.324 ( 14.842 8.940 -2.508) 17.507 4.214 ( -6.419 -9.761 -0.603) 11.698 4.214 ( 6.419 -9.761 -0.603) 11.698 4.584 ( -1.537 -2.720 -0.931) 3.260 4.584 ( 1.537 -2.720 -0.931) 3.260 4.938 ( -6.115 -1.261 -5.540) 8.347 4.938 ( 6.115 -1.261 -5.540) 8.347 5.363 ( -5.903 -3.450 6.954) 9.752 5.363 ( 5.903 -3.450 6.954) 9.752 5.647 ( -9.058 2.670 4.576) 10.494 5.647 ( 9.058 2.670 4.576) 10.494 6.303 ( -16.402 -2.341 12.997) 21.058 6.303 ( 16.402 -2.341 12.997) 21.058 7.849 ( -16.785 -17.025 2.411) 24.029 7.849 ( 16.785 -17.025 2.411) 24.029 8.752 ( -2.640 -16.313 0.665) 16.539 8.752 ( 2.640 -16.313 0.665) 16.539 8.984 ( -6.478 -0.816 -1.696) 6.746 8.984 ( 6.478 -0.816 -1.696) 6.746 12.225 ( -1.528 -32.165 -2.712) 32.315 12.225 ( 1.528 -32.165 -2.712) 32.315 12.492 ( -7.942 -1.620 -3.659) 8.893 12.492 ( 7.942 -1.620 -3.659) 8.893 13.508 ( -6.756 22.912 -3.434) 24.133 13.508 ( 6.756 22.912 -3.434) 24.133 15.737 ( -5.882 10.030 -1.945) 11.789 15.737 ( 5.882 10.030 -1.945) 11.789 ======================= Grid point 112 (41/140) ======================= q-point: ( 0.00 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 0.000 19.575 6.916) 20.761 1.215 ( 0.000 15.414 2.422) 15.603 1.594 ( 0.000 16.600 -0.206) 16.601 1.798 ( 0.000 5.457 -0.208) 5.461 2.047 ( 0.000 12.180 5.655) 13.428 2.198 ( 0.000 9.628 -2.312) 9.902 2.474 ( 0.000 8.585 9.002) 12.440 3.345 ( 0.000 16.368 -9.310) 18.831 3.607 ( 0.000 17.307 -2.008) 17.423 3.833 ( 0.000 -10.444 -2.073) 10.647 3.893 ( 0.000 -3.602 3.493) 5.017 4.125 ( 0.000 -20.249 0.431) 20.254 4.427 ( 0.000 -0.495 0.804) 0.944 4.486 ( 0.000 5.649 3.582) 6.689 4.785 ( 0.000 -7.498 -6.729) 10.074 5.190 ( 0.000 -16.748 9.109) 19.065 5.204 ( 0.000 -3.124 -3.799) 4.918 5.471 ( 0.000 0.081 6.948) 6.949 5.565 ( 0.000 -3.383 -9.202) 9.804 5.899 ( 0.000 -2.435 1.422) 2.819 6.031 ( 0.000 4.251 5.625) 7.050 6.526 ( 0.000 6.025 3.637) 7.038 7.456 ( 0.000 15.680 8.062) 17.632 7.545 ( 0.000 -21.290 -1.118) 21.319 8.324 ( 0.000 7.235 4.910) 8.743 8.633 ( 0.000 -8.061 -5.782) 9.920 8.692 ( 0.000 -11.364 1.879) 11.518 8.815 ( 0.000 -8.464 4.972) 9.816 11.593 ( 0.000 -36.246 0.883) 36.257 11.617 ( 0.000 -33.825 0.764) 33.834 12.279 ( 0.000 -8.662 -3.248) 9.251 12.447 ( 0.000 -23.247 -0.849) 23.262 13.850 ( 0.000 28.476 -4.015) 28.757 15.189 ( 0.000 8.374 7.003) 10.916 15.209 ( 0.000 6.627 -26.288) 27.110 15.875 ( 0.000 -0.640 4.024) 4.075 ======================= Grid point 113 (42/140) ======================= q-point: ( 0.17 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 3.577 18.456 6.279) 19.820 1.216 ( 1.946 18.057 3.140) 18.431 1.658 ( 2.235 10.913 1.586) 11.252 1.741 ( -1.094 9.284 -1.007) 9.402 2.002 ( -2.268 13.368 3.462) 13.994 2.344 ( 2.353 4.981 1.309) 5.662 2.513 ( 10.490 10.248 5.501) 15.663 3.354 ( 0.788 16.177 -9.008) 18.533 3.584 ( -2.245 17.472 -0.804) 17.634 3.778 ( -5.010 -8.582 -2.775) 10.318 3.909 ( 1.569 -4.751 2.056) 5.409 4.078 ( -4.149 -20.996 0.942) 21.422 4.439 ( 1.052 -2.684 -0.515) 2.928 4.561 ( 5.842 6.629 2.911) 9.303 4.744 ( -2.087 -8.308 -4.065) 9.482 5.063 ( -3.857 -7.359 1.810) 8.503 5.319 ( -5.641 -16.203 2.207) 17.298 5.396 ( 2.987 6.412 -0.587) 7.098 5.589 ( -1.023 1.172 0.635) 1.680 5.929 ( -2.857 5.202 11.190) 12.666 5.932 ( 1.159 1.462 -1.854) 2.630 6.694 ( 10.754 -2.682 -0.321) 11.088 7.168 ( -13.736 -1.840 10.081) 17.138 7.752 ( 7.725 -5.570 1.105) 9.588 8.393 ( 5.046 2.127 2.992) 6.240 8.541 ( -4.476 -12.848 -2.575) 13.847 8.758 ( 3.815 -2.518 -0.766) 4.635 8.887 ( 5.412 -9.298 3.119) 11.202 11.576 ( -2.010 -35.379 0.789) 35.445 11.585 ( -2.315 -34.768 1.225) 34.866 12.280 ( 0.126 -10.304 -3.369) 10.841 12.414 ( -2.783 -21.824 -0.459) 22.006 13.867 ( 1.711 29.063 -4.020) 29.389 14.757 ( -21.955 16.856 -8.614) 28.988 15.535 ( 12.706 2.677 -8.366) 15.447 15.882 ( 0.431 -0.970 3.117) 3.293 ======================= Grid point 114 (43/140) ======================= q-point: ( 0.33 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 6.087 15.678 4.901) 17.518 1.331 ( 8.253 17.634 3.110) 19.716 1.603 ( -3.484 9.464 4.586) 11.079 1.789 ( -1.501 10.418 -3.070) 10.964 1.980 ( 2.650 12.475 5.520) 13.896 2.260 ( -6.679 4.984 4.621) 9.529 2.858 ( 18.387 7.820 -2.452) 20.131 3.358 ( -1.953 13.652 -9.502) 16.747 3.525 ( -2.555 16.483 1.424) 16.741 3.649 ( -6.664 -0.526 -2.550) 7.155 3.946 ( 1.541 -8.645 0.057) 8.782 3.995 ( -2.928 -19.583 0.601) 19.810 4.471 ( 1.995 -3.547 -1.052) 4.204 4.585 ( -2.808 -3.220 1.873) 4.665 4.811 ( 5.965 1.400 -5.213) 8.045 5.020 ( -3.032 -3.571 -1.277) 4.856 5.157 ( -1.813 -9.531 5.367) 11.088 5.480 ( -6.993 1.949 5.991) 9.412 5.529 ( 6.405 2.858 1.470) 7.166 5.864 ( -5.440 2.699 8.318) 10.299 6.033 ( 8.985 3.287 2.315) 9.843 6.628 ( -15.771 -2.609 0.930) 16.012 7.224 ( 17.070 -9.370 9.177) 21.527 7.793 ( -4.253 -7.707 1.759) 8.977 8.433 ( 0.102 -10.987 -0.905) 11.025 8.514 ( -0.301 -10.121 2.432) 10.414 8.864 ( 6.378 1.110 -3.521) 7.369 8.979 ( 2.689 -5.373 0.421) 6.023 11.520 ( -2.279 -34.918 1.227) 35.014 11.542 ( -2.260 -35.542 1.493) 35.645 12.286 ( 0.568 -13.974 -2.965) 14.296 12.354 ( -2.663 -18.820 -0.348) 19.010 13.928 ( 4.477 30.124 -4.309) 30.758 14.346 ( -17.119 25.342 -6.954) 31.363 15.732 ( 6.924 1.554 -5.065) 8.719 15.880 ( -0.881 -0.832 0.774) 1.438 ======================= Grid point 115 (44/140) ======================= q-point: (-0.50 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -3.644 13.450 3.479) 14.362 1.405 ( 3.644 13.450 3.479) 14.362 1.645 ( -8.764 13.027 2.721) 15.935 1.645 ( 8.764 13.027 2.721) 15.935 2.109 ( -7.703 7.159 3.922) 11.223 2.109 ( 7.703 7.159 3.922) 11.223 3.196 ( -13.348 7.552 -7.083) 16.893 3.196 ( 13.348 7.552 -7.083) 16.893 3.539 ( -3.636 11.975 -0.115) 12.515 3.539 ( 3.636 11.975 -0.115) 12.515 3.965 ( -0.640 -14.386 -0.326) 14.404 3.965 ( 0.640 -14.386 -0.326) 14.404 4.521 ( -2.902 -3.754 0.510) 4.772 4.521 ( 2.902 -3.754 0.510) 4.772 4.909 ( -4.889 -1.624 -5.429) 7.485 4.909 ( 4.889 -1.624 -5.429) 7.485 5.293 ( -9.862 -3.069 8.880) 13.621 5.293 ( 9.862 -3.069 8.880) 13.621 5.701 ( -9.216 3.337 3.683) 10.471 5.701 ( 9.216 3.337 3.683) 10.471 6.289 ( -15.294 0.459 4.508) 15.951 6.289 ( 15.294 0.459 4.508) 15.951 7.585 ( -15.245 -10.411 4.058) 18.901 7.585 ( 15.245 -10.411 4.058) 18.901 8.469 ( -3.027 -12.294 1.318) 12.729 8.469 ( 3.027 -12.294 1.318) 12.729 8.975 ( -3.260 -0.980 -2.742) 4.371 8.975 ( 3.260 -0.980 -2.742) 4.371 11.505 ( -0.858 -35.350 1.529) 35.394 11.505 ( 0.858 -35.350 1.529) 35.394 12.309 ( -1.700 -16.614 -1.535) 16.771 12.309 ( 1.700 -16.614 -1.535) 16.771 14.069 ( -9.795 29.615 -5.287) 31.638 14.069 ( 9.795 29.615 -5.287) 31.638 15.837 ( -3.474 0.427 -2.001) 4.032 15.837 ( 3.474 0.427 -2.001) 4.032 ======================= Grid point 119 (45/140) ======================= q-point: ( 0.00 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.000 14.256 0.412) 14.262 1.556 ( 0.000 21.342 2.678) 21.509 1.850 ( 0.000 10.054 -2.493) 10.359 1.919 ( 0.000 6.821 0.139) 6.823 2.288 ( 0.000 11.131 6.402) 12.841 2.355 ( 0.000 5.918 -3.777) 7.021 2.654 ( 0.000 8.421 12.474) 15.051 3.391 ( 0.000 -15.337 -7.111) 16.905 3.619 ( 0.000 -3.967 -9.060) 9.891 3.838 ( 0.000 -1.495 -0.041) 1.496 3.893 ( 0.000 11.394 1.182) 11.455 3.961 ( 0.000 3.476 5.373) 6.400 4.403 ( 0.000 -0.361 1.606) 1.646 4.546 ( 0.000 -12.839 -2.153) 13.018 4.658 ( 0.000 9.819 1.930) 10.007 4.977 ( 0.000 -6.789 3.174) 7.494 5.002 ( 0.000 -13.859 1.079) 13.901 5.540 ( 0.000 -1.030 -10.882) 10.930 5.597 ( 0.000 9.574 0.098) 9.575 5.838 ( 0.000 -2.698 2.962) 4.007 6.143 ( 0.000 6.969 7.225) 10.038 6.607 ( 0.000 1.917 1.796) 2.627 7.206 ( 0.000 -13.567 0.154) 13.568 7.776 ( 0.000 15.770 6.691) 17.130 8.259 ( 0.000 -25.929 -2.712) 26.070 8.467 ( 0.000 -7.331 1.029) 7.402 8.521 ( 0.000 8.280 3.911) 9.157 8.773 ( 0.000 0.770 -0.391) 0.863 10.987 ( 0.000 -24.701 2.670) 24.845 11.016 ( 0.000 -26.411 1.418) 26.449 11.946 ( 0.000 -27.511 -1.162) 27.536 11.960 ( 0.000 -21.559 -1.646) 21.622 14.427 ( 0.000 28.183 -4.033) 28.470 15.272 ( 0.000 1.286 -15.451) 15.504 15.311 ( 0.000 4.133 6.060) 7.336 15.832 ( 0.000 -4.140 1.861) 4.539 ======================= Grid point 120 (46/140) ======================= q-point: ( 0.17 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 3.007 15.813 0.977) 16.126 1.582 ( 2.521 19.740 2.611) 20.071 1.841 ( -0.843 8.887 0.415) 8.937 1.942 ( 2.332 10.230 -2.196) 10.720 2.261 ( -0.736 11.468 3.016) 11.881 2.443 ( 1.325 4.973 2.259) 5.621 2.694 ( 7.613 6.950 7.836) 12.948 3.390 ( 0.454 -16.313 -5.604) 17.254 3.572 ( -4.454 -4.130 -9.790) 11.522 3.823 ( -1.878 -1.036 -0.547) 2.213 3.879 ( -0.948 10.220 2.462) 10.555 3.927 ( -2.573 4.938 4.054) 6.887 4.405 ( 0.276 -0.489 0.543) 0.781 4.507 ( -2.209 -10.804 0.498) 11.039 4.733 ( 6.622 8.824 1.071) 11.084 4.944 ( -0.607 -5.999 -0.686) 6.069 5.046 ( -0.559 -11.925 1.236) 12.002 5.532 ( 1.618 5.500 -6.396) 8.589 5.646 ( -0.005 5.483 2.021) 5.844 5.855 ( 2.837 -5.643 1.138) 6.417 6.102 ( -2.532 9.104 6.917) 11.711 6.646 ( 3.083 -2.711 -0.990) 4.223 7.025 ( -11.892 -9.445 5.771) 16.246 7.854 ( 1.226 10.868 3.456) 11.470 8.169 ( -2.902 -22.865 -1.161) 23.078 8.496 ( -2.206 6.250 3.603) 7.543 8.602 ( 8.863 -10.942 0.005) 14.081 8.834 ( 5.140 1.771 -0.783) 5.493 10.979 ( -1.619 -25.557 1.895) 25.678 10.985 ( -1.874 -24.487 1.991) 24.639 11.920 ( -1.608 -25.101 -1.504) 25.198 11.963 ( -0.302 -23.042 -0.862) 23.060 14.443 ( 1.564 27.747 -3.983) 28.075 15.014 ( -13.480 10.093 -5.397) 17.684 15.525 ( 9.585 -2.651 -3.225) 10.455 15.831 ( -0.216 -4.531 1.446) 4.761 ======================= Grid point 121 (47/140) ======================= q-point: ( 0.33 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 3.704 16.594 1.080) 17.036 1.671 ( 5.230 16.173 1.545) 17.068 1.821 ( -0.068 12.356 3.194) 12.762 1.996 ( 1.266 10.698 -4.229) 11.573 2.243 ( -0.933 13.184 6.414) 14.691 2.371 ( -5.251 5.696 6.160) 9.898 2.960 ( 14.887 1.840 -2.147) 15.153 3.418 ( -3.037 -13.545 -3.852) 14.406 3.470 ( 0.730 -5.045 -10.368) 11.553 3.751 ( -5.019 -0.500 -1.477) 5.255 3.858 ( -0.847 8.472 4.410) 9.588 3.886 ( -1.549 5.394 1.994) 5.955 4.418 ( 1.044 -1.575 -0.621) 1.989 4.478 ( -1.059 -5.652 1.711) 6.000 4.863 ( 2.532 2.196 -3.749) 5.029 4.940 ( -2.438 -4.931 -2.814) 6.178 5.029 ( 6.164 -2.170 5.506) 8.545 5.497 ( -8.591 1.155 3.573) 9.376 5.646 ( 4.361 7.425 0.093) 8.611 5.889 ( -2.526 -1.906 2.032) 3.761 6.121 ( 5.720 6.273 4.064) 9.412 6.559 ( -12.358 -4.034 -2.271) 13.197 7.030 ( 13.815 -10.592 7.843) 19.093 7.709 ( -12.872 -6.381 1.558) 14.451 8.212 ( 4.406 -7.861 1.236) 9.096 8.416 ( -5.208 -0.317 3.361) 6.206 8.784 ( 8.278 -8.714 -1.344) 12.094 8.930 ( 2.769 -0.550 -1.589) 3.240 10.927 ( -1.822 -24.611 1.505) 24.724 10.957 ( -1.753 -22.889 2.020) 23.045 11.899 ( -0.140 -23.536 -1.053) 23.560 11.945 ( -1.345 -22.805 -0.554) 22.852 14.492 ( 3.324 26.217 -3.878) 26.709 14.761 ( -10.570 17.511 -4.433) 20.929 15.685 ( 6.006 -5.312 -2.414) 8.373 15.818 ( -1.129 -5.346 0.342) 5.475 ======================= Grid point 122 (48/140) ======================= q-point: (-0.50 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -3.114 14.757 0.723) 15.100 1.683 ( 3.114 14.757 0.723) 15.100 1.920 ( -7.541 13.895 1.179) 15.854 1.920 ( 7.541 13.895 1.179) 15.854 2.275 ( -3.947 9.175 5.953) 11.627 2.275 ( 3.947 9.175 5.953) 11.627 3.236 ( -11.442 -3.110 -7.094) 13.817 3.236 ( 11.442 -3.110 -7.094) 13.817 3.613 ( -8.308 -5.885 -4.581) 11.165 3.613 ( 8.308 -5.885 -4.581) 11.165 3.857 ( -0.895 6.930 4.219) 8.162 3.857 ( 0.895 6.930 4.219) 8.162 4.448 ( -1.713 -2.989 -0.028) 3.445 4.448 ( 1.713 -2.989 -0.028) 3.445 4.881 ( -1.496 -1.536 -3.153) 3.813 4.881 ( 1.496 -1.536 -3.153) 3.813 5.264 ( -12.843 0.493 6.329) 14.326 5.264 ( 12.843 0.493 6.329) 14.326 5.773 ( -7.086 3.407 0.772) 7.900 5.773 ( 7.086 3.407 0.772) 7.900 6.303 ( -11.134 0.802 2.140) 11.366 6.303 ( 11.134 0.802 2.140) 11.366 7.386 ( -17.875 -11.798 3.350) 21.678 7.386 ( 17.875 -11.798 3.350) 21.678 8.306 ( -4.988 -3.465 2.599) 6.606 8.306 ( 4.988 -3.465 2.599) 6.606 8.917 ( -4.003 -5.269 -1.979) 6.906 8.917 ( 4.003 -5.269 -1.979) 6.906 10.922 ( -1.187 -22.976 1.682) 23.068 10.922 ( 1.187 -22.976 1.682) 23.068 11.915 ( -1.415 -22.734 -0.648) 22.788 11.915 ( 1.415 -22.734 -0.648) 22.788 14.588 ( -6.304 22.996 -3.926) 24.166 14.588 ( 6.304 22.996 -3.926) 24.166 15.777 ( -3.075 -5.853 -1.079) 6.700 15.777 ( 3.075 -5.853 -1.079) 6.700 ======================= Grid point 126 (49/140) ======================= q-point: ( 0.00 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.000 11.963 -0.512) 11.974 1.953 ( 0.000 18.350 1.163) 18.387 1.997 ( 0.000 4.980 -2.642) 5.638 2.066 ( 0.000 8.351 0.165) 8.353 2.400 ( 0.000 -0.289 5.742) 5.749 2.420 ( 0.000 0.682 -4.113) 4.169 2.764 ( 0.000 2.808 11.551) 11.887 3.173 ( 0.000 -7.045 -2.368) 7.432 3.572 ( 0.000 4.121 -8.850) 9.763 3.851 ( 0.000 3.117 -1.511) 3.464 4.048 ( 0.000 4.509 2.258) 5.043 4.095 ( 0.000 6.219 4.853) 7.888 4.392 ( 0.000 -2.663 1.448) 3.031 4.422 ( 0.000 2.182 1.565) 2.685 4.678 ( 0.000 -11.662 2.831) 12.001 4.852 ( 0.000 -6.816 1.872) 7.068 4.911 ( 0.000 9.587 1.130) 9.653 5.473 ( 0.000 -6.214 -8.727) 10.714 5.780 ( 0.000 8.295 -3.813) 9.129 5.833 ( 0.000 2.226 1.806) 2.866 6.288 ( 0.000 7.388 3.608) 8.222 6.593 ( 0.000 -3.359 -1.659) 3.747 7.006 ( 0.000 -6.827 2.673) 7.332 7.659 ( 0.000 -28.960 1.031) 28.978 8.083 ( 0.000 10.080 2.977) 10.510 8.309 ( 0.000 -6.042 0.092) 6.043 8.729 ( 0.000 9.603 2.298) 9.874 8.803 ( 0.000 2.304 -2.010) 3.057 10.631 ( 0.000 -11.856 2.292) 12.075 10.656 ( 0.000 -8.586 2.242) 8.874 11.399 ( 0.000 -27.515 -0.047) 27.515 11.492 ( 0.000 -25.210 -0.417) 25.213 14.914 ( 0.000 21.477 -3.015) 21.688 15.291 ( 0.000 1.012 -8.357) 8.418 15.356 ( 0.000 0.700 4.051) 4.111 15.713 ( 0.000 -7.885 0.687) 7.915 ======================= Grid point 127 (50/140) ======================= q-point: ( 0.17 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 4.076 12.277 0.041) 12.936 1.952 ( 0.045 16.825 0.700) 16.840 2.018 ( 2.198 9.076 -1.937) 9.538 2.116 ( 3.673 7.644 -0.300) 8.486 2.363 ( -0.190 -0.783 -0.313) 0.865 2.526 ( 3.760 2.407 2.267) 5.007 2.754 ( 1.774 -0.235 8.973) 9.149 3.175 ( 0.422 -7.772 -2.595) 8.205 3.529 ( -3.393 6.278 -7.294) 10.204 3.849 ( -0.596 4.547 -1.061) 4.707 4.033 ( -1.278 4.915 3.117) 5.959 4.065 ( -2.655 5.598 4.296) 7.539 4.383 ( 1.072 -1.204 0.996) 1.895 4.422 ( -0.247 2.080 1.130) 2.380 4.759 ( 4.790 -11.077 0.590) 12.083 4.844 ( -0.088 -4.918 0.073) 4.919 4.957 ( 4.109 7.941 1.749) 9.111 5.553 ( 6.555 -4.674 -6.577) 10.396 5.759 ( -2.192 1.676 -1.378) 3.084 5.796 ( -2.415 4.974 0.666) 5.569 6.275 ( -1.076 8.213 3.429) 8.965 6.575 ( -1.302 -4.556 -3.599) 5.950 6.872 ( -9.587 -5.585 5.194) 12.250 7.601 ( -7.345 -29.854 -0.752) 30.753 8.113 ( 4.765 10.488 3.310) 11.986 8.429 ( 8.629 -6.210 0.459) 10.641 8.631 ( -6.666 6.962 2.688) 10.007 8.870 ( 3.053 1.076 -1.373) 3.516 10.609 ( -1.240 -10.667 1.435) 10.834 10.671 ( 0.668 -7.792 2.526) 8.218 11.400 ( 0.287 -26.623 -0.013) 26.624 11.489 ( -0.376 -25.074 -0.503) 25.082 14.920 ( 0.523 20.908 -2.933) 21.120 15.172 ( -6.893 6.541 -3.406) 10.094 15.457 ( 5.445 -4.015 -0.446) 6.780 15.706 ( -0.748 -8.073 0.487) 8.122 ======================= Grid point 128 (51/140) ======================= q-point: ( 0.33 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 4.585 13.405 -0.900) 14.196 1.967 ( 1.668 14.255 0.178) 14.354 2.070 ( 2.924 13.350 0.072) 13.667 2.188 ( 2.684 8.102 -2.006) 8.767 2.383 ( 1.459 -0.143 0.457) 1.535 2.477 ( -5.699 5.558 8.993) 12.010 2.908 ( 10.054 -7.121 -1.203) 12.379 3.178 ( -1.499 -12.628 -4.555) 13.507 3.498 ( 2.613 12.781 -4.205) 13.707 3.802 ( -4.665 7.600 -1.962) 9.130 3.998 ( -1.574 4.909 3.737) 6.367 4.020 ( -1.470 5.451 5.019) 7.554 4.416 ( 0.523 1.187 -0.572) 1.417 4.433 ( 1.612 1.753 0.555) 2.445 4.810 ( 0.759 -6.612 -1.333) 6.787 4.842 ( -0.542 -5.980 -0.462) 6.023 5.091 ( 9.179 7.453 1.748) 11.952 5.552 ( -8.497 4.700 -0.017) 9.710 5.776 ( 1.132 0.724 -2.632) 2.955 5.783 ( 3.728 -4.149 -0.317) 5.587 6.264 ( 0.767 7.641 3.362) 8.383 6.487 ( -8.135 -2.714 -3.294) 9.187 6.819 ( 7.449 -10.623 4.929) 13.879 7.379 ( -13.274 -25.369 -0.936) 28.647 8.230 ( 5.292 6.974 3.152) 9.305 8.468 ( -7.374 4.864 3.204) 9.397 8.618 ( 8.190 -7.085 1.238) 10.900 8.880 ( -2.465 -4.881 -0.633) 5.505 10.603 ( 0.873 -7.696 0.943) 7.802 10.671 ( -0.799 -6.262 1.872) 6.585 11.416 ( 1.298 -24.993 -0.115) 25.027 11.475 ( -0.972 -24.599 -0.594) 24.625 14.936 ( 1.079 19.221 -2.665) 19.435 15.046 ( -5.008 12.093 -2.450) 13.317 15.557 ( 4.254 -7.302 -0.603) 8.472 15.681 ( -1.752 -8.478 0.057) 8.657 ======================= Grid point 129 (52/140) ======================= q-point: (-0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -1.775 14.234 -1.700) 14.445 1.973 ( 1.775 14.234 -1.700) 14.445 2.167 ( -5.082 11.799 0.328) 12.851 2.167 ( 5.082 11.799 0.328) 12.851 2.403 ( -1.000 2.578 5.420) 6.085 2.403 ( 1.000 2.578 5.420) 6.085 3.086 ( -6.879 -11.652 -5.079) 14.453 3.086 ( 6.879 -11.652 -5.079) 14.453 3.647 ( -9.528 11.481 -3.324) 15.285 3.647 ( 9.528 11.481 -3.324) 15.285 3.994 ( -0.941 5.405 5.127) 7.509 3.994 ( 0.941 5.405 5.127) 7.509 4.433 ( -1.136 1.677 -0.780) 2.170 4.433 ( 1.136 1.677 -0.780) 2.170 4.824 ( -0.961 -4.829 -0.779) 4.985 4.824 ( 0.961 -4.829 -0.779) 4.985 5.323 ( -12.374 5.722 2.038) 13.785 5.323 ( 12.374 5.722 2.038) 13.785 5.806 ( -1.587 -0.743 -2.228) 2.834 5.806 ( 1.587 -0.743 -2.228) 2.834 6.331 ( -5.838 2.631 1.990) 6.706 6.331 ( 5.838 2.631 1.990) 6.706 7.080 ( -15.146 -19.374 0.571) 24.599 7.080 ( 15.146 -19.374 0.571) 24.599 8.333 ( -5.420 5.200 3.502) 8.287 8.333 ( 5.420 5.200 3.502) 8.287 8.778 ( -6.863 -8.292 0.438) 10.772 8.778 ( 6.863 -8.292 0.438) 10.772 10.638 ( -2.111 -5.770 1.126) 6.246 10.638 ( 2.111 -5.770 1.126) 6.246 11.448 ( -1.595 -24.266 -0.427) 24.322 11.448 ( 1.595 -24.266 -0.427) 24.322 14.970 ( -2.493 16.370 -2.341) 16.724 14.970 ( 2.493 16.370 -2.341) 16.724 15.632 ( -3.010 -8.545 -0.340) 9.066 15.632 ( 3.010 -8.545 -0.340) 9.066 ======================= Grid point 133 (53/140) ======================= q-point: ( 0.00 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.000 6.738 -0.819) 6.787 2.030 ( 0.000 -1.363 -1.606) 2.106 2.242 ( 0.000 8.876 -0.297) 8.881 2.243 ( 0.000 9.909 3.379) 10.469 2.357 ( 0.000 -2.726 5.264) 5.928 2.385 ( 0.000 -4.276 -2.671) 5.041 2.813 ( 0.000 4.512 3.751) 5.867 2.983 ( 0.000 -11.411 -2.917) 11.778 3.826 ( 0.000 16.540 -3.002) 16.810 3.961 ( 0.000 7.621 3.078) 8.219 4.053 ( 0.000 -4.864 0.268) 4.872 4.113 ( 0.000 -5.203 6.538) 8.356 4.401 ( 0.000 2.179 3.164) 3.842 4.446 ( 0.000 -1.967 0.641) 2.069 4.556 ( 0.000 3.298 3.893) 5.102 4.698 ( 0.000 -8.731 1.790) 8.913 5.120 ( 0.000 10.668 -1.585) 10.785 5.316 ( 0.000 -9.272 -4.707) 10.399 5.892 ( 0.000 2.683 -2.438) 3.625 5.896 ( 0.000 2.959 -4.642) 5.505 6.413 ( 0.000 5.070 -1.341) 5.244 6.502 ( 0.000 -4.825 -4.481) 6.585 6.955 ( 0.000 2.460 5.110) 5.672 7.159 ( 0.000 -19.259 3.114) 19.509 8.209 ( 0.000 2.805 0.410) 2.835 8.239 ( 0.000 -1.617 -0.982) 1.892 8.855 ( 0.000 2.267 -0.282) 2.284 8.856 ( 0.000 2.962 1.318) 3.242 10.580 ( 0.000 6.241 1.228) 6.360 10.653 ( 0.000 6.329 -0.924) 6.396 10.923 ( 0.000 -18.267 3.565) 18.612 11.024 ( 0.000 -20.948 1.671) 21.014 15.270 ( 0.000 15.139 -1.666) 15.231 15.317 ( 0.000 1.589 -3.133) 3.513 15.349 ( 0.000 -1.060 0.984) 1.446 15.528 ( 0.000 -11.106 -0.357) 11.112 ======================= Grid point 134 (54/140) ======================= q-point: ( 0.17 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 4.826 7.485 -0.316) 8.912 2.090 ( 5.041 -0.766 -1.778) 5.400 2.217 ( -0.314 7.719 0.687) 7.756 2.309 ( 2.218 5.609 1.420) 6.196 2.318 ( 1.092 3.726 -0.349) 3.899 2.506 ( 7.752 -5.589 0.844) 9.594 2.767 ( -4.103 4.672 4.091) 7.443 2.957 ( -2.348 -12.713 -2.946) 13.260 3.832 ( 0.785 18.003 -1.995) 18.131 3.976 ( 0.933 6.999 3.116) 7.718 4.058 ( 0.304 -3.424 0.889) 3.550 4.092 ( -1.627 -2.820 5.731) 6.591 4.429 ( 3.251 4.329 1.197) 5.545 4.481 ( 0.581 2.771 0.454) 2.868 4.583 ( 3.984 -4.366 3.449) 6.843 4.686 ( -0.835 -9.519 1.692) 9.704 5.161 ( 4.070 11.307 -1.253) 12.082 5.382 ( 6.378 -10.917 -3.398) 13.092 5.827 ( -5.216 4.555 -3.224) 7.638 5.875 ( -2.376 0.901 -3.636) 4.435 6.407 ( -0.442 5.051 -1.192) 5.208 6.486 ( -1.049 -3.998 -4.986) 6.476 6.835 ( -9.610 3.245 4.908) 11.268 7.070 ( -8.036 -21.376 2.226) 22.945 8.267 ( 5.409 5.274 0.754) 7.592 8.344 ( 7.575 -3.316 0.150) 8.270 8.760 ( -6.611 6.071 1.768) 9.148 8.854 ( -2.705 -3.010 0.677) 4.103 10.587 ( 1.081 7.837 0.402) 7.921 10.677 ( 1.807 6.847 0.066) 7.082 10.930 ( 0.793 -19.053 2.595) 19.245 11.025 ( 0.059 -20.729 1.295) 20.769 15.264 ( -0.775 13.262 -1.706) 13.394 15.286 ( -1.725 6.628 -1.506) 7.012 15.374 ( 1.563 -4.405 -0.192) 4.678 15.519 ( -0.815 -10.992 -0.392) 11.029 ======================= Grid point 135 (55/140) ======================= q-point: ( 0.33 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 5.730 8.265 0.309) 10.062 2.186 ( 2.730 5.900 -2.136) 6.843 2.243 ( 3.571 1.726 0.056) 3.967 2.321 ( 0.859 -3.284 -1.055) 3.555 2.397 ( 4.089 14.610 0.044) 15.172 2.609 ( -2.510 7.333 1.937) 7.989 2.711 ( 3.001 -10.255 0.893) 10.723 2.893 ( -3.731 -15.277 -2.745) 15.964 3.868 ( 2.899 18.410 -0.521) 18.644 3.981 ( -0.733 7.840 1.946) 8.111 4.051 ( -0.647 -0.131 2.641) 2.722 4.071 ( -0.486 -0.910 4.430) 4.549 4.472 ( 0.860 5.271 0.347) 5.352 4.517 ( 2.585 5.815 0.632) 6.395 4.659 ( 1.770 -8.938 0.257) 9.115 4.682 ( 0.774 -8.958 1.356) 9.093 5.291 ( 8.574 12.754 -1.090) 15.407 5.556 ( 9.278 -12.789 -2.172) 15.949 5.690 ( -8.021 7.811 -3.301) 11.672 5.813 ( -3.507 -2.538 -3.853) 5.796 6.403 ( 0.330 6.094 0.300) 6.110 6.471 ( -0.937 0.266 -4.940) 5.035 6.657 ( -5.098 -2.663 4.566) 7.343 6.872 ( -10.217 -22.374 0.877) 24.612 8.376 ( 4.556 6.890 2.020) 8.504 8.490 ( 6.024 -4.864 1.282) 7.848 8.605 ( -7.531 6.886 3.287) 10.721 8.752 ( -6.529 -7.580 1.851) 10.174 10.630 ( 2.920 9.762 -0.003) 10.189 10.705 ( 0.472 8.903 0.876) 8.959 10.959 ( 1.936 -20.444 0.727) 20.548 11.022 ( -0.517 -20.451 0.467) 20.462 15.243 ( -0.713 10.278 -1.290) 10.383 15.261 ( -0.973 12.537 -1.131) 12.626 15.409 ( 1.915 -7.802 -0.268) 8.038 15.494 ( -1.692 -10.641 -0.399) 10.782 ======================= Grid point 136 (56/140) ======================= q-point: (-0.50 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -1.416 8.683 -1.106) 8.867 2.200 ( 1.416 8.683 -1.106) 8.867 2.315 ( -2.089 -1.801 -0.863) 2.890 2.315 ( 2.089 -1.801 -0.863) 2.890 2.496 ( -5.783 13.368 2.034) 14.706 2.496 ( 5.783 13.368 2.034) 14.706 2.807 ( -4.573 -16.151 -2.446) 16.963 2.807 ( 4.573 -16.151 -2.446) 16.963 3.938 ( -3.231 13.089 0.482) 13.491 3.938 ( 3.231 13.089 0.482) 13.491 4.056 ( -0.838 0.156 3.803) 3.897 4.056 ( 0.838 0.156 3.803) 3.897 4.511 ( -2.418 6.695 0.452) 7.133 4.511 ( 2.418 6.695 0.452) 7.133 4.684 ( -0.945 -9.230 0.289) 9.282 4.684 ( 0.945 -9.230 0.289) 9.282 5.497 ( -10.477 11.787 -2.426) 15.956 5.497 ( 10.477 11.787 -2.426) 15.956 5.719 ( -6.114 -8.689 -3.858) 11.304 5.719 ( 6.114 -8.689 -3.858) 11.304 6.429 ( -2.192 8.151 1.380) 8.553 6.429 ( 2.192 8.151 1.380) 8.553 6.687 ( -6.712 -18.346 -0.012) 19.536 6.687 ( 6.712 -18.346 -0.012) 19.536 8.466 ( -4.880 7.615 3.082) 9.555 8.466 ( 4.880 7.615 3.082) 9.555 8.617 ( -6.025 -7.907 2.352) 10.216 8.617 ( 6.025 -7.907 2.352) 10.216 10.687 ( -2.117 10.158 0.528) 10.390 10.687 ( 2.117 10.158 0.527) 10.390 10.999 ( -1.710 -20.617 -0.036) 20.688 10.999 ( 1.710 -20.617 -0.036) 20.688 15.243 ( -0.608 11.951 -1.058) 12.013 15.243 ( 0.608 11.951 -1.058) 12.013 15.452 ( -2.198 -9.791 -0.321) 10.040 15.452 ( 2.198 -9.791 -0.321) 10.040 ======================= Grid point 182 (57/140) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 0.000 0.000 16.168) 16.168 0.700 ( 0.000 0.000 17.774) 17.774 1.207 ( 0.000 0.000 26.622) 26.622 1.551 ( 0.000 0.000 -2.185) 2.185 1.783 ( 0.000 0.000 1.395) 1.395 1.917 ( 0.000 0.000 1.242) 1.242 2.341 ( 0.000 0.000 0.527) 0.527 2.442 ( 0.000 0.000 -0.551) 0.551 2.642 ( 0.000 0.000 -7.417) 7.417 3.827 ( 0.000 0.000 -7.287) 7.287 4.109 ( 0.000 0.000 4.868) 4.868 4.329 ( 0.000 0.000 4.376) 4.376 4.343 ( 0.000 0.000 -1.818) 1.818 4.565 ( 0.000 0.000 -5.646) 5.646 4.741 ( 0.000 0.000 -8.285) 8.285 5.330 ( 0.000 0.000 -7.517) 7.517 5.424 ( 0.000 0.000 24.267) 24.267 5.462 ( 0.000 0.000 -8.783) 8.783 5.466 ( 0.000 0.000 -10.641) 10.641 5.917 ( 0.000 0.000 10.057) 10.057 6.502 ( 0.000 0.000 17.708) 17.708 7.061 ( 0.000 0.000 9.758) 9.758 8.036 ( 0.000 0.000 -7.574) 7.574 8.154 ( 0.000 0.000 1.725) 1.725 8.696 ( 0.000 0.000 5.071) 5.071 9.100 ( 0.000 0.000 -1.123) 1.123 9.353 ( 0.000 0.000 11.042) 11.042 9.942 ( 0.000 0.000 0.777) 0.777 10.912 ( 0.000 0.000 -13.317) 13.317 10.997 ( 0.000 0.000 -5.082) 5.082 13.167 ( 0.000 0.000 1.209) 1.209 13.196 ( 0.000 0.000 2.996) 2.996 13.413 ( 0.000 0.000 -3.657) 3.657 13.593 ( 0.000 0.000 -3.220) 3.220 14.763 ( 0.000 0.000 10.950) 10.950 15.942 ( 0.000 0.000 -9.043) 9.043 ======================= Grid point 183 (58/140) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 6.854 0.000 11.559) 13.438 0.783 ( 11.691 0.000 12.231) 16.919 1.332 ( 9.939 0.000 23.249) 25.284 1.527 ( -2.396 0.000 -1.499) 2.827 1.679 ( -5.473 0.000 3.300) 6.391 2.172 ( 17.650 0.000 -1.924) 17.754 2.346 ( 0.506 0.000 0.380) 0.632 2.435 ( -0.702 0.000 -0.534) 0.883 2.582 ( -4.880 0.000 -4.260) 6.478 3.733 ( -9.335 0.000 -6.781) 11.538 4.121 ( 1.409 0.000 3.880) 4.128 4.381 ( 2.843 0.000 -1.424) 3.180 4.388 ( 4.184 0.000 -1.858) 4.578 4.593 ( 2.437 0.000 -5.224) 5.765 4.788 ( 5.230 0.000 -5.213) 7.384 5.246 ( -5.128 0.000 -0.184) 5.131 5.332 ( -6.498 0.000 16.226) 17.479 5.415 ( -3.544 0.000 -9.698) 10.325 5.451 ( -2.147 0.000 -10.071) 10.297 5.996 ( 3.062 0.000 14.574) 14.892 6.647 ( 8.816 0.000 16.458) 18.671 7.043 ( 0.953 0.000 14.120) 14.152 7.859 ( 0.177 0.000 7.628) 7.630 8.523 ( 6.355 0.000 -5.522) 8.419 8.768 ( 14.020 0.000 -8.286) 16.285 9.125 ( 1.930 0.000 -0.499) 1.993 9.390 ( 3.525 0.000 10.416) 10.996 9.899 ( -4.032 0.000 1.568) 4.326 10.812 ( -5.703 0.000 -8.356) 10.117 11.023 ( 0.417 0.000 -16.983) 16.988 13.163 ( 0.063 0.000 0.968) 0.970 13.226 ( 2.882 0.000 2.450) 3.783 13.403 ( -1.411 0.000 -3.493) 3.767 13.570 ( -2.225 0.000 -2.897) 3.653 14.858 ( 8.196 0.000 7.117) 10.855 15.828 ( -10.052 0.000 -4.940) 11.200 ======================= Grid point 184 (59/140) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 16.687 0.000 4.723) 17.342 1.050 ( 12.973 0.000 6.928) 14.707 1.446 ( -5.716 0.000 0.368) 5.728 1.506 ( -3.378 0.000 4.036) 5.263 1.635 ( 11.651 0.000 17.356) 20.904 2.343 ( -9.921 0.000 0.156) 9.922 2.362 ( 1.052 0.000 0.040) 1.052 2.414 ( -1.217 0.000 -0.463) 1.302 2.647 ( 18.442 0.000 -3.462) 18.764 3.457 ( -16.807 0.000 -6.210) 17.917 4.179 ( 4.441 0.000 0.734) 4.501 4.391 ( -2.136 0.000 -5.924) 6.297 4.501 ( 6.279 0.000 -1.997) 6.589 4.640 ( 1.276 0.000 -3.917) 4.120 4.902 ( 4.120 0.000 3.719) 5.550 5.117 ( -7.148 0.000 1.373) 7.279 5.340 ( -2.903 0.000 -10.342) 10.742 5.349 ( 9.849 0.000 12.418) 15.850 5.386 ( -3.700 0.000 -10.521) 11.153 5.921 ( -10.009 0.000 12.905) 16.331 6.805 ( 7.430 0.000 23.778) 24.912 7.052 ( -2.392 0.000 22.343) 22.471 8.050 ( 15.496 0.000 5.276) 16.369 8.495 ( -4.115 0.000 -0.688) 4.173 9.014 ( 5.722 0.000 -9.518) 11.106 9.152 ( -0.524 0.000 1.253) 1.358 9.493 ( 6.226 0.000 8.682) 10.684 9.785 ( -6.724 0.000 3.621) 7.637 10.777 ( 2.976 0.000 -19.398) 19.625 10.995 ( -3.253 0.000 -23.053) 23.282 13.186 ( 2.340 0.000 0.266) 2.355 13.307 ( 4.689 0.000 1.084) 4.812 13.347 ( -3.895 0.000 -2.152) 4.450 13.504 ( -4.044 0.000 -1.964) 4.495 15.061 ( 11.078 0.000 2.619) 11.383 15.578 ( -13.284 0.000 -0.832) 13.310 ======================= Grid point 185 (60/140) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -9.740 0.000 3.132) 10.231 1.287 ( 9.740 0.000 3.132) 10.231 1.314 ( -12.498 0.000 4.790) 13.384 1.314 ( 12.498 0.000 4.790) 13.384 2.009 ( -19.834 0.000 8.030) 21.398 2.009 ( 19.834 0.000 8.030) 21.398 2.387 ( -1.357 0.000 -0.279) 1.386 2.387 ( 1.357 0.000 -0.279) 1.386 3.068 ( -20.476 0.000 -5.353) 21.164 3.068 ( 20.476 0.000 -5.353) 21.164 4.297 ( -6.222 0.000 -3.671) 7.224 4.297 ( 6.222 0.000 -3.671) 7.224 4.615 ( -3.913 0.000 -2.505) 4.646 4.615 ( 3.913 0.000 -2.505) 4.646 4.987 ( -5.155 0.000 5.397) 7.464 4.987 ( 5.155 0.000 5.397) 7.464 5.324 ( -1.574 0.000 -10.866) 10.979 5.324 ( 1.574 0.000 -10.866) 10.979 5.641 ( -15.796 0.000 10.255) 18.833 5.641 ( 15.796 0.000 10.255) 18.833 6.951 ( -6.530 0.000 26.601) 27.391 6.951 ( 6.530 0.000 26.601) 27.391 8.351 ( -11.192 0.000 1.424) 11.282 8.351 ( 11.192 0.000 1.424) 11.282 9.092 ( -3.753 0.000 -1.429) 4.016 9.092 ( 3.753 0.000 -1.429) 4.016 9.636 ( -7.438 0.000 6.229) 9.702 9.636 ( 7.438 0.000 6.229) 9.702 10.891 ( -6.435 0.000 -25.141) 25.951 10.891 ( 6.435 0.000 -25.141) 25.951 13.257 ( -4.324 0.000 -0.695) 4.379 13.257 ( 4.324 0.000 -0.695) 4.379 13.409 ( -5.010 0.000 -0.545) 5.039 13.409 ( 5.010 0.000 -0.545) 5.039 15.307 ( -12.725 0.000 0.660) 12.742 15.307 ( 12.725 0.000 0.660) 12.742 ======================= Grid point 189 (61/140) ======================= q-point: ( 0.00 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.000 9.840 14.281) 17.343 0.846 ( 0.000 16.722 12.189) 20.693 1.173 ( 0.000 -1.383 21.852) 21.896 1.616 ( 0.000 5.665 -0.626) 5.699 1.791 ( 0.000 2.140 1.636) 2.694 1.915 ( 0.000 1.549 0.840) 1.762 2.373 ( 0.000 3.678 5.762) 6.835 2.578 ( 0.000 12.632 -1.665) 12.741 2.790 ( 0.000 13.996 -7.661) 15.956 3.834 ( 0.000 0.618 -7.392) 7.418 4.102 ( 0.000 -0.734 5.012) 5.065 4.351 ( 0.000 2.327 4.324) 4.911 4.468 ( 0.000 9.008 -6.221) 10.948 4.497 ( 0.000 -5.927 -7.330) 9.426 4.735 ( 0.000 -1.973 -5.037) 5.410 5.329 ( 0.000 -4.835 13.578) 14.414 5.391 ( 0.000 -0.990 -11.276) 11.319 5.521 ( 0.000 10.452 -9.293) 13.986 5.568 ( 0.000 4.941 -0.155) 4.944 5.970 ( 0.000 4.940 11.644) 12.649 6.517 ( 0.000 1.560 16.565) 16.638 6.972 ( 0.000 -18.511 10.183) 21.127 7.509 ( 0.000 -30.031 10.534) 31.825 8.106 ( 0.000 -5.343 -0.613) 5.378 8.677 ( 0.000 -1.386 3.052) 3.352 8.925 ( 0.000 -26.121 2.380) 26.229 9.092 ( 0.000 -8.079 6.909) 10.630 9.371 ( 0.000 -19.599 8.965) 21.552 11.365 ( 0.000 36.178 -10.223) 37.594 12.153 ( 0.000 46.566 -32.217) 56.624 12.918 ( 0.000 -25.251 2.478) 25.373 13.150 ( 0.000 -4.023 0.752) 4.092 13.391 ( 0.000 -2.059 -3.241) 3.839 13.532 ( 0.000 6.938 -12.778) 14.540 14.907 ( 0.000 12.360 10.796) 16.411 15.925 ( 0.000 -1.184 -6.158) 6.271 ======================= Grid point 190 (62/140) ======================= q-point: ( 0.17 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 2.396 6.716 12.643) 14.516 0.974 ( 8.655 11.700 10.653) 18.035 1.324 ( 10.766 1.196 16.468) 19.711 1.598 ( -1.543 5.859 1.269) 6.191 1.667 ( -5.588 0.855 3.739) 6.778 2.180 ( 17.270 1.846 -2.150) 17.501 2.356 ( -1.756 2.514 5.533) 6.326 2.577 ( 0.015 13.074 -2.004) 13.227 2.762 ( -2.171 15.803 -5.669) 16.929 3.736 ( -9.186 0.491 -7.057) 11.594 4.116 ( 1.550 -0.771 4.112) 4.462 4.378 ( 1.454 1.434 -0.056) 2.043 4.485 ( 1.132 4.432 -5.377) 7.059 4.538 ( 3.820 -2.895 -5.777) 7.506 4.759 ( 2.677 -3.826 -2.270) 5.192 5.261 ( -9.119 -0.173 -6.993) 11.493 5.304 ( -1.312 -1.281 13.693) 13.815 5.467 ( -2.756 4.314 -5.642) 7.618 5.549 ( -2.534 9.209 -4.263) 10.460 6.005 ( 0.469 0.349 12.846) 12.860 6.604 ( 4.863 -6.798 18.703) 20.486 7.008 ( 3.602 -5.632 12.135) 13.854 7.570 ( 7.970 -23.860 9.989) 27.066 8.392 ( 21.553 -15.585 -8.267) 27.852 8.598 ( -5.911 -8.033 0.300) 9.978 8.957 ( 2.549 -22.188 -0.273) 22.335 9.123 ( 2.017 -9.630 9.568) 13.724 9.338 ( -2.840 -17.743 7.790) 19.585 11.391 ( 2.306 37.457 -11.255) 39.179 12.006 ( -12.333 50.725 -27.997) 59.237 12.921 ( 0.423 -26.283 2.448) 26.400 13.132 ( -1.694 -8.630 0.453) 8.807 13.338 ( -3.955 -2.189 -3.091) 5.476 13.485 ( -3.359 -0.738 -6.593) 7.436 15.028 ( 9.698 14.400 5.324) 18.159 15.853 ( -6.574 2.183 -4.262) 8.133 ======================= Grid point 191 (63/140) ======================= q-point: ( 0.33 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 14.900 0.976 6.534) 16.299 1.175 ( 9.860 6.059 9.274) 14.830 1.443 ( -3.362 1.804 0.758) 3.890 1.555 ( -5.983 3.466 3.667) 7.826 1.675 ( 13.237 5.103 13.147) 19.341 2.264 ( -7.521 -1.111 5.305) 9.271 2.494 ( 7.869 7.064 -1.669) 10.705 2.582 ( -0.102 14.023 -4.175) 14.632 2.778 ( 8.813 13.732 -2.561) 16.517 3.474 ( -15.814 1.759 -6.574) 17.216 4.173 ( 4.096 -1.031 1.029) 4.347 4.371 ( -2.555 -1.818 -5.475) 6.309 4.531 ( 3.287 1.984 -2.684) 4.685 4.602 ( 1.400 -3.061 -3.683) 4.990 4.832 ( 4.209 -5.716 2.189) 7.428 5.079 ( -7.854 -2.973 -1.577) 8.545 5.379 ( 7.799 2.520 11.692) 14.279 5.415 ( -1.878 5.375 -4.773) 7.430 5.492 ( -1.579 9.449 -6.503) 11.579 5.913 ( -9.202 -0.852 11.732) 14.935 6.715 ( 6.603 -10.519 24.654) 27.605 7.007 ( -4.498 -4.679 20.543) 21.544 7.867 ( 18.563 -16.859 5.102) 25.590 8.444 ( -8.038 -8.500 -0.920) 11.735 8.802 ( 14.373 -21.751 -12.762) 29.026 9.022 ( 3.152 -18.704 -4.210) 19.429 9.132 ( -0.753 -13.523 11.387) 17.695 9.277 ( -2.835 -16.891 5.354) 17.945 11.454 ( 3.843 41.112 -14.370) 43.720 11.743 ( -11.522 50.844 -22.446) 56.760 12.944 ( 1.954 -27.761 2.092) 27.909 13.079 ( -3.436 -20.145 0.322) 20.438 13.288 ( -0.169 -2.652 -1.751) 3.183 13.408 ( -4.080 -3.439 -2.522) 5.902 15.243 ( 10.629 15.020 0.610) 18.410 15.677 ( -9.992 8.157 -2.044) 13.060 ======================= Grid point 192 (64/140) ======================= q-point: (-0.50 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -9.942 -1.001 5.170) 11.250 1.230 ( 9.942 -1.001 5.170) 11.250 1.412 ( -6.712 6.018 4.389) 10.026 1.412 ( 6.712 6.018 4.389) 10.026 2.011 ( -16.360 1.261 7.774) 18.157 2.011 ( 16.360 1.261 7.774) 18.157 2.555 ( -1.547 14.560 -1.461) 14.714 2.555 ( 1.547 14.560 -1.461) 14.714 3.110 ( -18.795 4.553 -5.408) 20.080 3.110 ( 18.795 4.553 -5.408) 20.080 4.280 ( -5.675 -2.065 -3.236) 6.851 4.280 ( 5.675 -2.065 -3.236) 6.851 4.593 ( -2.086 -2.048 -2.448) 3.813 4.593 ( 2.086 -2.048 -2.448) 3.813 4.938 ( -6.002 -3.808 1.442) 7.253 4.938 ( 6.002 -3.808 1.442) 7.253 5.409 ( -1.313 6.425 -3.559) 7.461 5.409 ( 1.313 6.425 -3.559) 7.461 5.666 ( -13.571 2.542 8.593) 16.262 5.666 ( 13.571 2.542 8.593) 16.262 6.868 ( -7.853 -8.827 25.614) 28.207 6.868 ( 7.853 -8.827 25.614) 28.207 8.222 ( -14.303 -13.817 1.288) 19.929 8.222 ( 14.303 -13.817 1.288) 19.929 8.990 ( -5.507 -11.554 -6.901) 14.541 8.990 ( 5.507 -11.554 -6.901) 14.541 9.196 ( -5.288 -21.650 5.837) 23.038 9.196 ( 5.288 -21.650 5.837) 23.038 11.558 ( -6.653 45.965 -18.604) 50.032 11.558 ( 6.653 45.965 -18.604) 50.032 13.002 ( -3.601 -26.840 1.137) 27.104 13.002 ( 3.601 -26.840 1.137) 27.104 13.327 ( -3.425 -2.901 -1.390) 4.699 13.327 ( 3.425 -2.901 -1.390) 4.699 15.462 ( -10.664 12.757 -1.018) 16.658 15.462 ( 10.664 12.757 -1.018) 16.658 ======================= Grid point 196 (65/140) ======================= q-point: ( 0.00 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 0.000 12.555 8.634) 15.237 1.105 ( 0.000 7.878 14.419) 16.431 1.301 ( 0.000 15.589 6.527) 16.900 1.713 ( 0.000 4.086 0.909) 4.186 1.924 ( 0.000 11.217 4.009) 11.912 2.001 ( 0.000 6.857 -0.814) 6.905 2.490 ( 0.000 8.351 10.737) 13.602 2.875 ( 0.000 16.332 -4.748) 17.008 3.138 ( 0.000 20.386 -6.677) 21.452 3.839 ( 0.000 -0.624 -6.716) 6.745 4.063 ( 0.000 -3.613 4.843) 6.042 4.345 ( 0.000 -9.736 -8.922) 13.206 4.423 ( 0.000 4.311 4.747) 6.413 4.627 ( 0.000 6.730 -6.624) 9.443 4.632 ( 0.000 -7.889 1.509) 8.032 5.253 ( 0.000 -3.190 8.971) 9.522 5.333 ( 0.000 -3.342 -10.462) 10.982 5.609 ( 0.000 -1.025 0.964) 1.407 5.712 ( 0.000 5.504 -9.293) 10.801 6.036 ( 0.000 -8.275 5.412) 9.887 6.282 ( 0.000 -26.668 19.960) 33.311 6.568 ( 0.000 3.680 13.019) 13.529 7.407 ( 0.000 7.614 10.131) 12.673 7.894 ( 0.000 -17.497 -5.396) 18.310 8.490 ( 0.000 -11.822 9.171) 14.962 8.637 ( 0.000 -3.204 -1.133) 3.399 8.946 ( 0.000 -8.627 4.187) 9.590 9.117 ( 0.000 -10.260 5.847) 11.809 12.022 ( 0.000 24.533 -7.867) 25.764 12.212 ( 0.000 -24.055 -7.291) 25.136 12.318 ( 0.000 -33.619 2.088) 33.684 12.858 ( 0.000 -20.462 0.155) 20.463 13.403 ( 0.000 6.830 -3.687) 7.762 14.124 ( 0.000 35.129 -37.883) 51.664 15.161 ( 0.000 12.224 10.601) 16.181 15.913 ( 0.000 -0.067 -2.141) 2.142 ======================= Grid point 197 (66/140) ======================= q-point: ( 0.17 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -0.639 15.160 8.660) 17.471 1.158 ( 4.665 7.926 13.760) 16.550 1.448 ( 9.652 10.609 3.236) 14.703 1.671 ( -3.289 3.595 5.215) 7.137 1.810 ( -3.136 11.401 1.823) 11.964 2.257 ( 14.366 5.695 -0.614) 15.466 2.462 ( -1.653 8.384 9.302) 12.631 2.882 ( 0.555 16.583 -5.069) 17.349 3.133 ( -0.409 21.017 -5.215) 21.658 3.747 ( -8.280 0.188 -6.776) 10.701 4.073 ( 1.097 -4.120 3.931) 5.799 4.337 ( -1.420 -9.380 -7.928) 12.363 4.467 ( 3.239 1.332 1.304) 3.737 4.623 ( -0.793 3.406 -3.390) 4.871 4.640 ( 1.916 -4.759 1.081) 5.243 5.206 ( -8.403 -4.649 -4.307) 10.525 5.295 ( 2.444 -0.823 4.435) 5.130 5.557 ( -2.141 4.237 -1.382) 4.944 5.739 ( -4.627 7.672 -1.657) 9.111 5.929 ( -1.071 -13.700 6.845) 15.353 6.290 ( 2.543 -16.407 22.459) 27.930 6.833 ( 13.707 -7.046 7.197) 17.010 7.370 ( 0.538 1.440 11.671) 11.772 8.018 ( 8.295 -20.470 -5.272) 22.707 8.484 ( 1.040 -4.080 2.944) 5.137 8.632 ( 0.152 -9.107 -0.526) 9.124 8.959 ( 0.582 -8.975 5.802) 10.703 9.124 ( 0.137 -8.308 4.263) 9.339 12.056 ( 3.025 24.340 -8.135) 25.841 12.198 ( -1.297 -21.950 -7.080) 23.100 12.299 ( -1.434 -35.075 2.090) 35.166 12.790 ( -6.122 -19.311 -0.139) 20.258 13.404 ( -0.122 7.585 -3.335) 8.287 13.889 ( -17.684 33.405 -25.480) 45.584 15.310 ( 10.898 12.622 2.974) 16.939 15.893 ( -2.095 1.508 -2.343) 3.486 ======================= Grid point 198 (67/140) ======================= q-point: ( 0.33 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 10.112 12.038 5.841) 16.772 1.278 ( 5.876 5.991 11.501) 14.237 1.539 ( -2.116 6.982 -0.405) 7.307 1.634 ( -1.958 5.311 7.084) 9.068 1.839 ( 8.261 10.745 5.673) 14.692 2.293 ( -7.787 3.731 8.124) 11.856 2.640 ( 14.389 8.094 -3.489) 16.874 2.892 ( 0.092 16.379 -6.241) 17.527 3.134 ( 1.553 20.883 -1.915) 21.028 3.526 ( -12.666 3.384 -6.229) 14.514 4.114 ( 2.882 -5.682 1.291) 6.500 4.277 ( -4.115 -9.868 -5.165) 11.873 4.514 ( 1.585 -3.380 -1.826) 4.156 4.594 ( -1.865 1.929 -2.962) 3.997 4.732 ( 6.257 -3.040 0.762) 6.998 5.018 ( -8.465 -3.310 -4.409) 10.102 5.409 ( 7.370 -0.784 8.627) 11.373 5.521 ( -1.474 4.951 2.405) 5.698 5.641 ( -1.678 2.642 3.505) 4.699 5.902 ( -4.899 0.747 4.984) 7.028 6.396 ( 8.225 -17.890 21.552) 29.192 6.864 ( -8.742 -9.765 12.647) 18.213 7.579 ( 16.849 -9.358 8.058) 20.890 8.078 ( -3.623 -20.103 -2.159) 20.541 8.605 ( 9.619 -2.495 -5.278) 11.252 8.667 ( 3.382 -14.691 -1.072) 15.113 8.951 ( -1.170 -8.980 5.018) 10.354 9.093 ( -3.754 -5.817 2.322) 7.303 12.118 ( 2.029 15.338 -7.489) 17.189 12.165 ( -1.672 -16.045 -6.530) 17.404 12.301 ( 3.062 -30.386 0.550) 30.545 12.627 ( -9.278 -16.016 -1.317) 18.556 13.397 ( -0.226 10.723 -3.269) 11.213 13.566 ( -11.757 26.123 -12.402) 31.216 15.523 ( 9.308 11.714 -1.488) 15.036 15.820 ( -4.999 5.337 -2.594) 7.759 ======================= Grid point 199 (68/140) ======================= q-point: (-0.50 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -7.063 6.883 4.903) 11.014 1.287 ( 7.063 6.883 4.903) 11.014 1.542 ( -4.661 7.499 5.922) 10.631 1.542 ( 4.661 7.499 5.922) 10.631 2.078 ( -12.386 5.525 7.157) 15.335 2.078 ( 12.386 5.525 7.157) 15.335 2.851 ( -5.251 13.422 -5.312) 15.360 2.851 ( 5.251 13.422 -5.312) 15.360 3.263 ( -11.257 11.514 -3.680) 16.518 3.263 ( 11.257 11.514 -3.680) 16.518 4.188 ( -4.195 -8.393 -1.960) 9.586 4.188 ( 4.195 -8.393 -1.960) 9.586 4.552 ( -2.129 -1.801 -2.438) 3.704 4.552 ( 2.129 -1.801 -2.438) 3.704 4.866 ( -6.635 -3.368 -2.258) 7.776 4.866 ( 6.635 -3.368 -2.258) 7.776 5.498 ( -1.179 1.800 6.463) 6.812 5.498 ( 1.179 1.800 6.463) 6.812 5.735 ( -9.395 3.845 5.368) 11.483 5.735 ( 9.395 3.845 5.368) 11.483 6.621 ( -12.765 -14.449 18.253) 26.550 6.621 ( 12.765 -14.449 18.253) 26.550 7.902 ( -12.838 -14.689 2.613) 19.683 7.902 ( 12.838 -14.689 2.613) 19.683 8.729 ( -0.753 -12.597 -3.844) 13.192 8.729 ( 0.753 -12.597 -3.844) 13.192 8.979 ( -5.506 -5.276 2.139) 7.920 8.979 ( 5.506 -5.276 2.139) 7.920 12.139 ( -0.801 -5.902 -5.965) 8.429 12.139 ( 0.801 -5.902 -5.965) 8.429 12.433 ( -8.800 -15.926 -2.056) 18.311 12.433 ( 8.800 -15.926 -2.056) 18.311 13.419 ( -3.202 16.661 -5.448) 17.819 13.419 ( 3.202 16.661 -5.448) 17.819 15.693 ( -7.274 9.192 -2.515) 11.989 15.693 ( 7.274 9.192 -2.515) 11.989 ======================= Grid point 203 (69/140) ======================= q-point: ( 0.00 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.000 12.242 4.134) 12.921 1.304 ( 0.000 13.626 8.874) 16.261 1.597 ( 0.000 12.830 0.641) 12.846 1.805 ( 0.000 5.583 0.936) 5.661 2.157 ( 0.000 8.354 -1.925) 8.573 2.180 ( 0.000 14.134 7.573) 16.036 2.696 ( 0.000 12.250 13.695) 18.374 3.158 ( 0.000 10.951 -9.206) 14.306 3.545 ( 0.000 20.380 -4.442) 20.858 3.771 ( 0.000 -8.816 -3.907) 9.643 3.960 ( 0.000 -6.641 3.010) 7.291 4.083 ( 0.000 -13.637 -4.473) 14.352 4.466 ( 0.000 -2.501 2.397) 3.464 4.568 ( 0.000 5.309 4.833) 7.179 4.677 ( 0.000 -3.863 -4.691) 6.076 5.180 ( 0.000 -5.069 1.133) 5.194 5.275 ( 0.000 -4.595 -5.932) 7.503 5.424 ( 0.000 -21.879 0.529) 21.885 5.565 ( 0.000 -1.776 2.716) 3.245 5.845 ( 0.000 0.634 -5.508) 5.545 6.253 ( 0.000 4.144 15.482) 16.027 6.643 ( 0.000 3.145 8.566) 9.125 7.512 ( 0.000 -18.529 -2.363) 18.679 7.629 ( 0.000 14.056 8.355) 16.352 8.444 ( 0.000 4.112 7.072) 8.180 8.516 ( 0.000 -10.674 -5.774) 12.135 8.752 ( 0.000 -10.818 4.542) 11.732 8.922 ( 0.000 -9.178 6.127) 11.035 11.615 ( 0.000 -32.423 1.271) 32.448 11.636 ( 0.000 -33.489 1.151) 33.509 12.202 ( 0.000 -6.223 -4.237) 7.529 12.421 ( 0.000 -24.259 -1.929) 24.336 13.758 ( 0.000 27.522 -5.220) 28.012 14.643 ( 0.000 18.728 -30.919) 36.149 15.358 ( 0.000 7.604 9.925) 12.503 15.907 ( 0.000 -1.147 -0.332) 1.194 ======================= Grid point 204 (70/140) ======================= q-point: ( 0.17 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 1.965 16.756 4.582) 17.482 1.343 ( 3.497 11.434 9.235) 15.108 1.661 ( 5.215 10.201 -0.762) 11.482 1.771 ( -2.784 6.683 3.929) 8.237 2.056 ( -2.066 13.009 1.578) 13.266 2.385 ( 9.454 7.240 2.929) 12.263 2.672 ( -0.645 12.257 10.605) 16.221 3.169 ( 0.675 11.173 -9.290) 14.546 3.545 ( -0.090 20.171 -3.313) 20.441 3.708 ( -5.458 -6.642 -4.114) 9.531 3.952 ( -0.579 -7.865 1.959) 8.126 4.047 ( -3.391 -15.862 -4.019) 16.711 4.447 ( -1.051 -2.672 1.018) 3.046 4.627 ( 4.139 4.864 3.722) 7.392 4.668 ( -0.386 -2.786 -3.771) 4.704 5.083 ( -5.133 -7.891 -0.484) 9.426 5.255 ( -4.451 -4.763 -5.115) 8.286 5.473 ( 6.494 -15.635 6.586) 18.166 5.631 ( 1.873 2.495 2.229) 3.834 5.866 ( 3.442 1.622 -4.483) 5.880 6.210 ( -2.423 2.259 16.684) 17.010 6.736 ( 4.505 -4.012 4.747) 7.676 7.361 ( -5.477 -7.628 8.687) 12.792 7.779 ( 6.861 0.774 1.408) 7.047 8.454 ( -2.756 -9.115 -0.213) 9.525 8.481 ( 2.340 0.741 0.214) 2.463 8.779 ( 1.349 -8.933 3.363) 9.640 8.961 ( 2.917 -8.146 4.498) 9.752 11.597 ( -1.988 -33.053 1.242) 33.136 11.615 ( -1.536 -33.721 1.743) 33.801 12.203 ( 0.184 -7.713 -4.287) 8.827 12.394 ( -2.440 -22.140 -1.731) 22.341 13.773 ( 1.507 28.030 -5.382) 28.582 14.449 ( -14.985 22.929 -21.942) 35.096 15.488 ( 9.477 5.493 2.934) 11.340 15.900 ( -0.721 -1.061 -0.757) 1.490 ======================= Grid point 205 (71/140) ======================= q-point: ( 0.33 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 5.641 16.249 3.514) 17.555 1.440 ( 5.195 10.661 7.691) 14.135 1.698 ( -2.074 9.726 3.206) 10.449 1.764 ( 1.322 7.519 2.851) 8.150 2.072 ( 4.103 12.785 3.648) 13.914 2.400 ( -6.794 6.982 9.702) 13.749 2.802 ( 11.734 7.892 -3.668) 14.608 3.160 ( -2.515 9.438 -10.021) 13.993 3.536 ( -0.818 18.075 -0.503) 18.100 3.589 ( -4.909 1.913 -3.277) 6.205 3.943 ( -0.361 -11.364 -0.924) 11.407 3.971 ( -3.027 -17.262 -2.873) 17.759 4.452 ( 1.768 -2.638 -0.936) 3.310 4.604 ( -3.778 -2.062 -0.820) 4.382 4.733 ( 3.643 2.238 -2.434) 4.920 4.947 ( -7.639 -3.701 -4.982) 9.843 5.293 ( 8.326 -9.799 8.003) 15.146 5.586 ( -0.884 -1.488 5.484) 5.751 5.617 ( 3.629 2.130 6.211) 7.502 5.939 ( -1.234 1.051 -0.067) 1.622 6.203 ( 4.541 -1.710 13.848) 14.674 6.670 ( -10.506 -8.824 3.508) 14.161 7.432 ( 11.263 -9.046 11.417) 18.412 7.831 ( -2.446 -5.091 1.783) 5.923 8.427 ( 1.353 -10.954 0.047) 11.037 8.544 ( 1.198 -4.078 0.284) 4.260 8.813 ( 3.262 -4.185 -0.506) 5.330 8.992 ( -0.779 -4.894 1.186) 5.096 11.551 ( -1.722 -34.448 1.923) 34.544 11.579 ( -2.017 -33.977 2.217) 34.109 12.218 ( 1.471 -10.995 -3.979) 11.785 12.332 ( -3.321 -17.967 -2.009) 18.382 13.823 ( 3.527 29.400 -6.197) 30.253 14.144 ( -13.173 28.342 -13.450) 34.025 15.669 ( 7.547 3.199 -1.234) 8.289 15.869 ( -2.455 -0.282 -1.608) 2.948 ======================= Grid point 206 (72/140) ======================= q-point: (-0.50 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -2.990 11.472 3.208) 12.281 1.475 ( 2.990 11.472 3.208) 12.281 1.717 ( -4.083 10.646 5.048) 12.469 1.717 ( 4.083 10.646 5.048) 12.469 2.221 ( -9.191 9.089 7.468) 14.928 2.221 ( 9.191 9.089 7.468) 14.928 3.035 ( -9.514 5.528 -9.130) 14.298 3.035 ( 9.514 5.528 -9.130) 14.298 3.531 ( -0.981 13.126 -0.719) 13.182 3.531 ( 0.981 13.126 -0.719) 13.182 3.940 ( -0.356 -15.017 -2.459) 15.221 3.940 ( 0.356 -15.017 -2.459) 15.221 4.516 ( -4.169 -2.402 -1.300) 4.984 4.516 ( 4.169 -2.402 -1.300) 4.984 4.814 ( -4.975 -1.580 -4.212) 6.707 4.814 ( 4.975 -1.580 -4.212) 6.707 5.479 ( -7.516 -3.236 9.960) 12.890 5.479 ( 7.516 -3.236 9.960) 12.890 5.786 ( -10.229 1.490 4.812) 11.403 5.786 ( 10.229 1.490 4.812) 11.403 6.408 ( -13.051 -6.148 7.389) 16.209 6.408 ( 13.051 -6.148 7.389) 16.209 7.686 ( -10.962 -9.061 6.086) 15.470 7.686 ( 10.962 -9.061 6.086) 15.470 8.497 ( -4.362 -10.241 1.205) 11.197 8.497 ( 4.362 -10.241 1.205) 11.197 8.921 ( -5.639 -1.828 -2.139) 6.302 8.921 ( 5.639 -1.828 -2.139) 6.302 11.543 ( -1.001 -34.604 2.369) 34.700 11.543 ( 1.001 -34.604 2.369) 34.700 12.265 ( -2.982 -14.331 -3.058) 14.954 12.265 ( 2.982 -14.331 -3.058) 14.954 13.932 ( -7.508 30.282 -8.555) 32.351 13.932 ( 7.508 30.282 -8.555) 32.351 15.795 ( -4.814 1.339 -2.048) 5.400 15.795 ( 4.814 1.339 -2.048) 5.400 ======================= Grid point 210 (73/140) ======================= q-point: ( 0.00 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.000 12.286 1.009) 12.327 1.624 ( 0.000 18.185 4.227) 18.670 1.802 ( 0.000 8.733 -2.023) 8.964 1.929 ( 0.000 6.913 0.883) 6.970 2.300 ( 0.000 5.674 -2.149) 6.067 2.442 ( 0.000 10.906 8.642) 13.915 2.921 ( 0.000 8.799 14.614) 17.058 3.241 ( 0.000 -2.554 -6.809) 7.272 3.470 ( 0.000 -14.822 -6.497) 16.184 3.827 ( 0.000 -5.009 -1.318) 5.179 3.901 ( 0.000 14.550 -0.571) 14.561 4.016 ( 0.000 5.123 0.753) 5.178 4.439 ( 0.000 0.056 1.762) 1.763 4.495 ( 0.000 -10.085 -2.892) 10.492 4.710 ( 0.000 7.656 3.501) 8.419 5.036 ( 0.000 -9.268 2.190) 9.523 5.056 ( 0.000 -9.366 4.332) 10.320 5.328 ( 0.000 0.160 -10.579) 10.580 5.580 ( 0.000 3.257 -2.058) 3.853 5.843 ( 0.000 -0.864 -2.585) 2.726 6.323 ( 0.000 3.084 10.956) 11.382 6.661 ( 0.000 -1.931 3.709) 4.181 7.221 ( 0.000 -10.974 1.638) 11.096 7.922 ( 0.000 14.765 5.845) 15.880 8.179 ( 0.000 -23.102 -3.690) 23.395 8.495 ( 0.000 -7.881 1.766) 8.076 8.622 ( 0.000 5.787 6.406) 8.633 8.792 ( 0.000 -4.002 2.612) 4.779 11.048 ( 0.000 -24.137 3.242) 24.353 11.050 ( 0.000 -25.299 1.925) 25.372 11.916 ( 0.000 -26.859 -1.781) 26.918 11.920 ( 0.000 -20.093 -2.442) 20.241 14.335 ( 0.000 28.976 -5.128) 29.427 14.917 ( 0.000 10.651 -20.261) 22.890 15.453 ( 0.000 2.230 8.241) 8.537 15.851 ( 0.000 -4.786 0.054) 4.786 ======================= Grid point 211 (74/140) ======================= q-point: ( 0.17 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 4.561 12.548 2.629) 13.608 1.639 ( 1.563 17.746 3.396) 18.135 1.834 ( 3.107 7.636 -1.023) 8.307 1.936 ( 0.188 9.894 1.938) 10.084 2.271 ( -0.385 7.533 -1.570) 7.705 2.542 ( 6.030 8.057 7.004) 12.261 2.884 ( -2.452 7.387 10.642) 13.184 3.262 ( 1.815 -1.951 -6.232) 6.778 3.412 ( -5.047 -15.320 -6.579) 17.420 3.797 ( -2.981 -4.399 -2.367) 5.817 3.905 ( 0.387 13.828 -0.082) 13.834 3.968 ( -3.920 5.801 0.434) 7.015 4.414 ( -1.272 -0.913 0.170) 1.575 4.518 ( 1.536 -8.138 0.592) 8.303 4.758 ( 2.746 6.976 1.576) 7.660 4.926 ( -2.496 -7.750 -0.657) 8.168 5.094 ( -2.399 -8.016 2.646) 8.776 5.410 ( 8.519 2.909 -5.392) 10.493 5.673 ( 4.885 1.275 0.371) 5.062 5.843 ( 1.092 -3.065 -2.431) 4.062 6.280 ( -3.061 4.213 10.936) 12.112 6.647 ( -2.290 -5.569 1.232) 6.146 7.150 ( -3.853 -10.645 6.818) 13.215 7.909 ( -4.392 3.569 0.101) 5.660 8.163 ( 1.934 -14.075 2.209) 14.378 8.569 ( 3.212 2.144 0.792) 3.942 8.612 ( 1.072 -5.021 4.256) 6.669 8.845 ( 4.243 -2.901 2.116) 5.558 11.016 ( -2.722 -25.584 2.035) 25.809 11.038 ( -1.141 -23.373 2.905) 23.580 11.886 ( -1.325 -22.797 -1.860) 22.911 11.936 ( 0.174 -23.493 -1.937) 23.573 14.351 ( 1.538 28.651 -5.210) 29.162 14.808 ( -8.718 14.636 -15.019) 22.711 15.535 ( 6.275 -0.349 3.858) 7.374 15.843 ( -0.810 -4.948 -0.175) 5.017 ======================= Grid point 212 (75/140) ======================= q-point: ( 0.33 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 2.964 12.591 3.537) 13.410 1.698 ( 3.291 14.723 1.380) 15.149 1.906 ( 2.623 8.845 4.641) 10.327 1.940 ( 1.249 12.682 -0.500) 12.753 2.306 ( 3.508 9.213 0.561) 9.874 2.559 ( -5.010 8.732 12.138) 15.769 2.915 ( 6.235 2.374 -3.215) 7.406 3.240 ( -6.565 -0.869 -9.953) 11.954 3.372 ( 4.612 -15.027 -3.025) 16.008 3.699 ( -6.719 -4.933 -4.010) 9.250 3.900 ( -1.619 8.262 -0.314) 8.425 3.914 ( 0.153 11.817 0.756) 11.842 4.409 ( 0.856 -1.668 -0.237) 1.890 4.515 ( -2.228 -5.508 1.779) 6.203 4.779 ( 0.238 1.446 -4.615) 4.842 4.887 ( -3.969 -2.467 -2.694) 5.394 5.152 ( 10.548 -3.576 7.070) 13.192 5.547 ( 0.827 -1.322 2.048) 2.574 5.691 ( 1.088 3.959 3.746) 5.558 5.903 ( 0.798 -4.737 -0.480) 4.828 6.243 ( 1.036 4.191 7.989) 9.081 6.530 ( -8.500 -5.886 -0.413) 10.347 7.199 ( 9.440 -13.864 9.092) 19.078 7.733 ( -11.382 -10.899 0.359) 15.762 8.258 ( 5.678 -3.170 3.783) 7.523 8.506 ( -5.693 0.805 5.605) 8.029 8.742 ( 7.497 -4.575 -2.744) 9.202 8.912 ( 1.197 -2.774 0.117) 3.023 10.964 ( -1.689 -24.586 2.158) 24.738 11.003 ( -2.172 -23.078 2.437) 23.308 11.874 ( 0.260 -21.999 -1.499) 22.051 11.925 ( -1.187 -22.997 -1.653) 23.087 14.398 ( 3.098 27.535 -5.568) 28.263 14.624 ( -8.290 20.736 -9.570) 24.296 15.662 ( 5.607 -3.297 0.315) 6.512 15.815 ( -1.981 -5.110 -0.639) 5.518 ======================= Grid point 213 (76/140) ======================= q-point: (-0.50 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -1.984 12.116 1.845) 12.415 1.708 ( 1.984 12.116 1.845) 12.415 1.950 ( -1.520 12.450 2.191) 12.732 1.950 ( 1.520 12.450 2.191) 12.732 2.417 ( -7.119 9.528 7.893) 14.274 2.417 ( 7.119 9.528 7.893) 14.274 3.077 ( -8.439 -1.332 -8.639) 12.150 3.077 ( 8.439 -1.332 -8.639) 12.150 3.528 ( -9.145 -8.831 -4.424) 13.461 3.528 ( 9.145 -8.831 -4.424) 13.461 3.903 ( -1.107 10.328 0.326) 10.392 3.903 ( 1.107 10.328 0.326) 10.392 4.451 ( -3.110 -3.618 0.274) 4.779 4.451 ( 3.110 -3.618 0.274) 4.779 4.806 ( -2.870 0.216 -4.402) 5.259 4.806 ( 2.870 0.216 -4.402) 5.259 5.410 ( -11.572 -2.947 8.457) 14.633 5.410 ( 11.572 -2.947 8.457) 14.633 5.805 ( -7.718 0.147 2.393) 8.082 5.805 ( 7.718 0.147 2.393) 8.082 6.352 ( -8.043 -0.633 2.754) 8.525 6.352 ( 8.043 -0.633 2.754) 8.525 7.465 ( -14.230 -15.102 4.434) 21.218 7.465 ( 14.230 -15.102 4.434) 21.218 8.378 ( -6.149 -1.284 4.749) 7.875 8.378 ( 6.149 -1.284 4.749) 7.875 8.874 ( -4.697 -3.325 -2.130) 6.137 8.874 ( 4.697 -3.325 -2.130) 6.137 10.961 ( -1.365 -23.401 2.236) 23.548 10.961 ( 1.365 -23.401 2.236) 23.548 11.894 ( -1.499 -22.183 -1.469) 22.282 11.894 ( 1.499 -22.183 -1.468) 22.282 14.483 ( -5.367 25.128 -6.711) 26.557 14.483 ( 5.367 25.128 -6.711) 26.557 15.758 ( -3.654 -4.721 -0.753) 6.017 15.758 ( 3.654 -4.721 -0.753) 6.017 ======================= Grid point 217 (77/140) ======================= q-point: ( 0.00 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 11.726 -0.224) 11.728 1.946 ( 0.000 5.776 -2.297) 6.216 1.981 ( 0.000 17.560 1.709) 17.643 2.072 ( 0.000 7.936 0.562) 7.956 2.367 ( 0.000 1.184 -1.583) 1.977 2.518 ( 0.000 -2.408 5.267) 5.792 2.978 ( 0.000 -2.902 9.584) 10.014 3.121 ( 0.000 -10.258 -3.252) 10.761 3.435 ( 0.000 13.612 -3.306) 14.008 3.827 ( 0.000 6.382 -0.209) 6.386 4.100 ( 0.000 5.140 2.938) 5.920 4.172 ( 0.000 8.682 3.041) 9.199 4.407 ( 0.000 0.932 -0.114) 0.939 4.462 ( 0.000 2.007 2.399) 3.128 4.746 ( 0.000 -8.157 3.905) 9.044 4.903 ( 0.000 -7.519 3.000) 8.095 4.944 ( 0.000 4.797 2.403) 5.365 5.299 ( 0.000 -3.482 -8.702) 9.372 5.669 ( 0.000 5.203 -7.643) 9.246 5.824 ( 0.000 -0.889 -3.108) 3.232 6.373 ( 0.000 1.784 4.821) 5.140 6.561 ( 0.000 -7.662 -1.390) 7.787 7.081 ( 0.000 -3.596 5.179) 6.305 7.665 ( 0.000 -26.429 -1.053) 26.450 8.164 ( 0.000 7.603 5.280) 9.257 8.314 ( 0.000 -7.940 0.380) 7.949 8.769 ( 0.000 2.117 -0.941) 2.317 8.786 ( 0.000 7.939 3.428) 8.648 10.685 ( 0.000 -11.413 2.964) 11.792 10.707 ( 0.000 -10.197 2.721) 10.554 11.400 ( 0.000 -24.982 0.238) 24.983 11.482 ( 0.000 -23.392 -0.661) 23.402 14.845 ( 0.000 22.924 -3.903) 23.254 15.095 ( 0.000 8.095 -11.218) 13.833 15.450 ( 0.000 -2.407 5.347) 5.863 15.719 ( 0.000 -8.641 -0.191) 8.643 ======================= Grid point 218 (78/140) ======================= q-point: ( 0.17 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 4.803 11.926 0.565) 12.869 1.966 ( 0.186 11.240 -0.142) 11.242 1.985 ( 2.271 11.712 -0.065) 11.930 2.126 ( 4.247 8.886 1.213) 9.923 2.331 ( -1.260 -0.424 -2.040) 2.435 2.607 ( 6.247 -1.591 3.881) 7.524 2.922 ( -4.706 -2.733 7.677) 9.410 3.103 ( -1.592 -11.391 -5.070) 12.569 3.430 ( -0.275 15.770 -1.243) 15.821 3.824 ( -1.113 8.185 -1.184) 8.345 4.095 ( -0.900 5.142 3.011) 6.026 4.139 ( -2.339 8.761 3.096) 9.582 4.398 ( -0.360 0.345 -0.167) 0.526 4.461 ( 0.338 1.518 3.457) 3.791 4.770 ( 0.408 -8.118 0.289) 8.133 4.840 ( -1.656 -1.869 -0.422) 2.532 5.009 ( 4.053 1.996 3.448) 5.683 5.437 ( 10.830 -2.488 -5.244) 12.287 5.676 ( 0.728 0.144 -5.902) 5.948 5.801 ( -2.044 -0.502 -1.635) 2.666 6.354 ( -1.463 2.798 4.446) 5.453 6.514 ( -3.949 -7.658 -2.478) 8.966 6.986 ( -6.812 -5.831 6.576) 11.119 7.574 ( -8.561 -26.058 -2.319) 27.526 8.201 ( 4.581 6.677 5.590) 9.839 8.439 ( 9.091 -6.147 0.555) 10.988 8.699 ( -4.776 5.153 4.190) 8.180 8.847 ( 3.007 2.322 -0.648) 3.854 10.647 ( -1.989 -11.116 2.399) 11.544 10.724 ( 0.343 -8.549 2.706) 8.974 11.401 ( 0.222 -24.682 0.157) 24.684 11.475 ( -0.590 -23.633 -0.854) 23.656 14.852 ( 0.657 22.394 -3.851) 22.732 15.049 ( -3.812 10.518 -8.674) 14.156 15.488 ( 3.176 -4.174 3.302) 6.198 15.709 ( -0.972 -8.659 -0.243) 8.717 ======================= Grid point 219 (79/140) ======================= q-point: ( 0.33 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 2.903 12.868 0.370) 13.197 1.966 ( 0.098 12.121 0.040) 12.121 2.075 ( 5.990 9.124 0.245) 10.917 2.189 ( 1.175 11.280 2.084) 11.531 2.371 ( 5.143 -1.785 -1.547) 5.659 2.664 ( -3.919 1.010 9.489) 10.316 2.866 ( 2.488 -6.398 -3.890) 7.890 3.062 ( -2.682 -11.527 -6.429) 13.468 3.448 ( 3.188 18.314 -0.306) 18.592 3.752 ( -6.169 11.239 -3.120) 13.195 4.062 ( -0.680 6.364 2.495) 6.870 4.116 ( -0.724 7.550 4.203) 8.672 4.399 ( 0.426 0.789 -0.659) 1.113 4.462 ( -1.238 1.374 2.266) 2.925 4.766 ( 0.290 -2.779 -3.475) 4.459 4.820 ( -1.263 -5.311 -1.865) 5.769 5.147 ( 9.829 2.877 4.203) 11.070 5.542 ( -3.478 1.024 -0.704) 3.693 5.725 ( 2.673 -5.023 -2.300) 6.138 5.785 ( 1.804 -3.192 0.211) 3.672 6.332 ( -0.136 4.377 3.218) 5.434 6.430 ( -3.522 -4.294 -2.325) 6.020 6.923 ( 2.747 -13.371 5.671) 14.781 7.350 ( -12.367 -25.060 -2.073) 28.023 8.313 ( 5.485 6.021 5.393) 9.769 8.555 ( -5.097 3.195 5.723) 8.303 8.644 ( 6.621 -4.016 1.144) 7.828 8.870 ( -1.411 -2.418 -0.237) 2.810 10.629 ( 0.548 -8.676 1.776) 8.872 10.711 ( -1.611 -6.687 2.023) 7.170 11.413 ( 0.924 -24.103 -0.231) 24.121 11.459 ( -0.978 -23.872 -1.077) 23.916 14.872 ( 1.260 20.867 -3.774) 21.243 14.967 ( -3.644 14.818 -5.560) 16.241 15.560 ( 3.580 -6.745 1.079) 7.712 15.679 ( -1.954 -8.612 -0.270) 8.835 ======================= Grid point 220 (80/140) ======================= q-point: (-0.50 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -1.828 12.319 -0.493) 12.463 1.949 ( 1.828 12.319 -0.493) 12.463 2.178 ( -2.732 10.373 0.800) 10.757 2.178 ( 2.732 10.373 0.800) 10.757 2.512 ( -8.198 -0.051 5.036) 9.621 2.512 ( 8.198 -0.051 5.036) 9.621 2.973 ( -5.781 -8.821 -5.965) 12.116 2.973 ( 5.781 -8.821 -5.965) 12.116 3.584 ( -9.014 15.437 -2.911) 18.111 3.584 ( 9.014 15.437 -2.911) 18.111 4.085 ( -2.117 6.831 3.638) 8.024 4.085 ( 2.117 6.831 3.638) 8.024 4.420 ( -1.811 1.419 -0.314) 2.322 4.420 ( 1.811 1.419 -0.314) 2.322 4.788 ( -1.622 -2.879 -3.280) 4.656 4.788 ( 1.622 -2.879 -3.280) 4.656 5.379 ( -11.011 0.124 3.963) 11.703 5.379 ( 11.011 0.124 3.963) 11.703 5.774 ( -2.770 -3.733 -0.862) 4.728 5.774 ( 2.770 -3.733 -0.862) 4.728 6.368 ( -2.919 2.262 1.499) 3.986 6.368 ( 2.919 2.262 1.499) 3.986 7.092 ( -11.906 -21.944 0.582) 24.973 7.092 ( 11.906 -21.944 0.582) 24.973 8.426 ( -5.892 5.117 6.024) 9.859 8.426 ( 5.892 5.117 6.024) 9.859 8.789 ( -6.005 -5.249 0.679) 8.004 8.789 ( 6.005 -5.249 0.679) 8.004 10.665 ( -2.476 -6.520 1.542) 7.142 10.665 ( 2.476 -6.520 1.542) 7.142 11.436 ( -1.207 -23.854 -0.826) 23.899 11.436 ( 1.207 -23.854 -0.826) 23.899 14.907 ( -2.250 18.405 -4.082) 18.986 14.907 ( 2.250 18.405 -4.082) 18.986 15.628 ( -2.925 -8.170 0.042) 8.678 15.628 ( 2.925 -8.170 0.042) 8.678 ======================= Grid point 224 (81/140) ======================= q-point: ( 0.00 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.000 6.310 -0.201) 6.313 2.003 ( 0.000 -0.216 -1.121) 1.142 2.238 ( 0.000 8.064 -0.146) 8.065 2.290 ( 0.000 12.688 0.417) 12.695 2.350 ( 0.000 -2.445 0.143) 2.449 2.455 ( 0.000 -3.762 3.988) 5.483 2.880 ( 0.000 -4.516 2.357) 5.094 2.911 ( 0.000 -8.516 -4.213) 9.501 3.813 ( 0.000 19.929 2.464) 20.081 4.036 ( 0.000 12.249 5.307) 13.349 4.092 ( 0.000 -5.967 3.701) 7.021 4.251 ( 0.000 -4.381 7.520) 8.704 4.460 ( 0.000 2.668 2.491) 3.651 4.480 ( 0.000 -0.409 2.824) 2.853 4.630 ( 0.000 1.363 3.551) 3.804 4.745 ( 0.000 -8.207 2.907) 8.706 5.078 ( 0.000 6.938 -2.678) 7.437 5.203 ( 0.000 -5.890 -6.554) 8.812 5.762 ( 0.000 3.847 -9.264) 10.031 5.808 ( 0.000 -1.055 -6.554) 6.638 6.382 ( 0.000 -0.410 -1.598) 1.650 6.417 ( 0.000 -5.240 -3.768) 6.454 7.071 ( 0.000 2.835 6.665) 7.243 7.236 ( 0.000 -15.419 4.598) 16.090 8.216 ( 0.000 -1.925 -1.238) 2.288 8.216 ( 0.000 -0.592 0.228) 0.634 8.853 ( 0.000 4.596 0.290) 4.606 8.887 ( 0.000 1.799 1.785) 2.534 10.608 ( 0.000 2.528 1.558) 2.970 10.641 ( 0.000 1.376 -0.180) 1.388 11.001 ( 0.000 -12.771 4.218) 13.450 11.066 ( 0.000 -16.810 2.497) 16.994 15.231 ( 0.000 16.743 -2.335) 16.905 15.243 ( 0.000 7.084 -4.159) 8.215 15.370 ( 0.000 -5.432 1.214) 5.566 15.515 ( 0.000 -12.267 -1.033) 12.310 ======================= Grid point 225 (82/140) ======================= q-point: ( 0.17 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 5.584 6.617 0.139) 8.659 2.063 ( 4.901 0.761 -0.952) 5.051 2.224 ( -0.795 7.238 0.311) 7.288 2.282 ( -1.021 2.801 -2.448) 3.857 2.346 ( 1.698 8.448 1.920) 8.828 2.540 ( 5.746 -6.170 1.411) 8.549 2.835 ( -4.194 -3.212 1.915) 5.619 2.892 ( -1.660 -8.454 -2.993) 9.120 3.831 ( 1.642 20.326 2.476) 20.542 4.050 ( 0.293 12.450 4.649) 13.293 4.096 ( 0.510 -5.911 3.323) 6.801 4.218 ( -2.396 -2.592 7.090) 7.920 4.453 ( -0.003 4.442 0.785) 4.511 4.506 ( 1.579 1.077 2.072) 2.819 4.643 ( 1.151 -2.348 2.394) 3.545 4.722 ( -1.776 -7.427 1.558) 7.793 5.131 ( 5.070 8.338 -1.499) 9.873 5.307 ( 9.248 -9.050 -3.814) 13.489 5.721 ( -3.858 3.969 -7.721) 9.501 5.789 ( -1.811 -1.925 -5.579) 6.174 6.372 ( -0.561 -0.732 -2.345) 2.520 6.388 ( -2.142 -3.903 -4.766) 6.522 6.943 ( -10.101 2.417 6.098) 12.044 7.125 ( -9.611 -17.056 3.299) 19.854 8.285 ( 7.036 3.005 1.138) 7.735 8.350 ( 9.033 -3.688 0.441) 9.767 8.803 ( -4.507 5.297 2.582) 7.419 8.872 ( -1.959 -1.004 1.248) 2.530 10.599 ( 0.349 5.346 0.917) 5.435 10.682 ( 2.638 1.555 0.352) 3.082 10.989 ( -0.949 -14.213 3.297) 14.621 11.057 ( -0.814 -17.115 1.881) 17.238 15.223 ( -0.745 13.085 -2.543) 13.350 15.237 ( -0.389 11.639 -3.014) 12.029 15.380 ( 0.973 -6.592 0.777) 6.708 15.507 ( -0.780 -12.037 -0.967) 12.101 ======================= Grid point 226 (83/140) ======================= q-point: ( 0.33 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 4.760 8.541 0.131) 9.779 2.148 ( 2.505 5.992 -1.603) 6.690 2.230 ( 2.409 4.185 -1.584) 5.082 2.293 ( 1.375 -3.812 -1.586) 4.352 2.406 ( 4.553 11.482 1.341) 12.424 2.649 ( 4.357 -7.992 0.111) 9.104 2.717 ( -6.598 -0.809 0.788) 6.694 2.846 ( -3.031 -9.878 -1.545) 10.447 3.880 ( 3.210 20.537 2.056) 20.888 4.026 ( -2.497 13.123 2.604) 13.609 4.107 ( 0.821 -2.763 3.410) 4.465 4.180 ( -1.473 -1.996 6.384) 6.849 4.463 ( 1.248 5.975 -1.334) 6.248 4.542 ( 0.957 4.569 1.476) 4.896 4.656 ( 0.204 -7.660 -0.900) 7.715 4.697 ( -0.500 -6.167 -0.331) 6.196 5.270 ( 7.963 9.951 -0.699) 12.764 5.509 ( 8.423 -12.709 -2.309) 15.420 5.609 ( -6.854 5.386 -4.601) 9.857 5.737 ( -3.439 -5.172 -3.822) 7.293 6.379 ( 2.537 -0.198 -4.446) 5.123 6.391 ( 3.026 0.571 -1.858) 3.597 6.742 ( -8.142 -2.584 4.311) 9.569 6.895 ( -11.911 -17.912 1.388) 21.555 8.430 ( 6.191 5.492 3.414) 8.953 8.527 ( 7.544 -4.463 2.435) 9.097 8.683 ( -6.535 5.842 4.632) 9.914 8.797 ( -5.211 -5.110 2.642) 7.762 10.635 ( 2.973 8.456 0.564) 8.981 10.722 ( 0.750 6.122 0.771) 6.216 10.976 ( 0.113 -18.382 1.079) 18.414 11.033 ( -1.504 -18.253 0.618) 18.325 15.211 ( -0.260 12.290 -1.997) 12.454 15.228 ( -0.590 13.947 -2.158) 14.125 15.408 ( 1.659 -8.762 0.201) 8.920 15.483 ( -1.527 -11.432 -0.728) 11.557 ======================= Grid point 227 (84/140) ======================= q-point: (-0.50 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -0.478 9.586 -1.953) 9.795 2.169 ( 0.478 9.586 -1.953) 9.795 2.293 ( -1.876 -1.347 -1.553) 2.783 2.293 ( 1.876 -1.347 -1.553) 2.783 2.544 ( -8.286 7.488 2.702) 11.490 2.544 ( 8.286 7.488 2.702) 11.490 2.761 ( -5.035 -12.219 -1.917) 13.354 2.761 ( 5.035 -12.219 -1.917) 13.354 3.958 ( -3.913 17.277 1.622) 17.789 3.958 ( 3.913 17.277 1.622) 17.789 4.141 ( -2.221 -1.901 4.760) 5.586 4.141 ( 2.221 -1.901 4.760) 5.586 4.511 ( -3.017 7.443 -0.811) 8.072 4.511 ( 3.017 7.443 -0.811) 8.072 4.679 ( -1.491 -8.152 -1.233) 8.379 4.679 ( 1.491 -8.152 -1.233) 8.379 5.446 ( -8.720 7.594 -2.282) 11.786 5.446 ( 8.720 7.594 -2.282) 11.786 5.642 ( -5.410 -9.875 -3.636) 11.832 5.642 ( 5.410 -9.875 -3.636) 11.832 6.452 ( -1.091 7.035 0.795) 7.163 6.452 ( 1.091 7.035 0.795) 7.163 6.684 ( -5.632 -17.413 -0.293) 18.304 6.684 ( 5.632 -17.413 -0.293) 18.304 8.546 ( -5.584 6.673 5.064) 10.067 8.546 ( 5.584 6.673 5.064) 10.067 8.675 ( -6.200 -6.317 3.405) 9.484 8.675 ( 6.200 -6.317 3.405) 9.484 10.700 ( -2.689 9.451 0.751) 9.855 10.700 ( 2.689 9.451 0.751) 9.855 10.998 ( -1.726 -19.927 -0.097) 20.002 10.998 ( 1.726 -19.927 -0.097) 20.002 15.215 ( -0.554 13.459 -1.788) 13.589 15.215 ( 0.554 13.459 -1.788) 13.589 15.446 ( -1.943 -10.448 -0.305) 10.632 15.446 ( 1.943 -10.448 -0.305) 10.632 ======================= Grid point 273 (85/140) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 0.000 14.437) 14.437 1.026 ( 0.000 0.000 16.223) 16.223 1.489 ( 0.000 0.000 -4.487) 4.487 1.554 ( 0.000 0.000 7.510) 7.510 1.803 ( 0.000 0.000 0.945) 0.945 1.915 ( 0.000 0.000 -1.326) 1.326 2.354 ( 0.000 0.000 0.929) 0.929 2.427 ( 0.000 0.000 -1.048) 1.048 2.644 ( 0.000 0.000 9.735) 9.735 3.650 ( 0.000 0.000 -11.752) 11.752 4.181 ( 0.000 0.000 2.700) 2.700 4.312 ( 0.000 0.000 -1.227) 1.227 4.353 ( 0.000 0.000 -2.699) 2.699 4.450 ( 0.000 0.000 -6.004) 6.004 4.655 ( 0.000 0.000 0.856) 0.856 5.129 ( 0.000 0.000 -11.750) 11.750 5.280 ( 0.000 0.000 -8.167) 8.167 5.297 ( 0.000 0.000 -7.875) 7.875 5.888 ( 0.000 0.000 22.857) 22.857 6.183 ( 0.000 0.000 14.448) 14.448 6.855 ( 0.000 0.000 18.503) 18.503 7.225 ( 0.000 0.000 7.537) 7.537 7.889 ( 0.000 0.000 -7.273) 7.273 8.141 ( 0.000 0.000 -4.143) 4.143 8.798 ( 0.000 0.000 5.380) 5.380 9.051 ( 0.000 0.000 -3.827) 3.827 9.568 ( 0.000 0.000 10.965) 10.965 9.939 ( 0.000 0.000 -1.367) 1.367 10.700 ( 0.000 0.000 -7.688) 7.688 10.877 ( 0.000 0.000 -7.357) 7.357 13.192 ( 0.000 0.000 1.484) 1.484 13.263 ( 0.000 0.000 4.012) 4.012 13.340 ( 0.000 0.000 -3.793) 3.793 13.521 ( 0.000 0.000 -4.229) 4.229 14.993 ( 0.000 0.000 12.882) 12.882 15.741 ( 0.000 0.000 -11.786) 11.786 ======================= Grid point 274 (86/140) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.872 0.000 15.451) 15.476 1.019 ( 7.118 0.000 12.057) 14.002 1.481 ( -0.879 0.000 -3.492) 3.601 1.609 ( 2.122 0.000 3.124) 3.777 1.785 ( 2.476 0.000 7.541) 7.937 2.129 ( 16.585 0.000 -2.940) 16.844 2.356 ( 0.209 0.000 0.750) 0.778 2.420 ( -0.622 0.000 -0.977) 1.158 2.606 ( -3.745 0.000 9.399) 10.118 3.568 ( -8.248 0.000 -11.073) 13.807 4.185 ( 0.637 0.000 2.873) 2.943 4.352 ( -0.555 0.000 -2.811) 2.865 4.356 ( 4.116 0.000 -1.257) 4.304 4.486 ( 3.249 0.000 -5.631) 6.501 4.762 ( 10.150 0.000 2.893) 10.554 5.147 ( 1.198 0.000 -6.821) 6.926 5.238 ( -3.659 0.000 -7.959) 8.760 5.269 ( -2.746 0.000 -8.426) 8.863 5.722 ( -9.635 0.000 20.998) 23.103 6.250 ( -0.501 0.000 9.323) 9.337 6.952 ( 9.562 0.000 16.606) 19.163 7.314 ( 7.907 0.000 13.435) 15.589 7.897 ( 3.942 0.000 -2.459) 4.646 8.371 ( 16.583 0.000 -10.525) 19.642 8.724 ( -5.904 0.000 2.630) 6.463 9.056 ( 0.200 0.000 -6.168) 6.171 9.592 ( 2.261 0.000 10.211) 10.459 9.913 ( -2.476 0.000 -0.445) 2.515 10.684 ( -2.251 0.000 -6.258) 6.651 10.783 ( -7.613 0.000 -7.651) 10.794 13.189 ( -0.012 0.000 1.743) 1.743 13.282 ( 1.794 0.000 3.353) 3.802 13.336 ( -0.612 0.000 -3.372) 3.427 13.505 ( -1.500 0.000 -3.764) 4.052 15.026 ( 3.213 0.000 10.068) 10.568 15.674 ( -6.356 0.000 -10.294) 12.099 ======================= Grid point 275 (87/140) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 11.914 0.000 9.975) 15.539 1.190 ( 8.637 0.000 7.415) 11.384 1.443 ( -3.083 0.000 -0.817) 3.189 1.564 ( -5.666 0.000 1.122) 5.777 1.950 ( 12.042 0.000 13.230) 17.889 2.364 ( 0.617 0.000 0.269) 0.673 2.403 ( -1.015 0.000 -0.739) 1.256 2.462 ( -3.807 0.000 12.972) 13.520 2.537 ( 15.139 0.000 -7.955) 17.102 3.316 ( -15.740 0.000 -8.970) 18.116 4.213 ( 2.126 0.000 2.664) 3.408 4.324 ( -2.120 0.000 -1.835) 2.804 4.467 ( 6.040 0.000 -1.409) 6.202 4.560 ( 3.028 0.000 -4.234) 5.206 5.000 ( 10.009 0.000 6.115) 11.729 5.153 ( -3.763 0.000 -8.455) 9.255 5.158 ( -0.390 0.000 2.349) 2.381 5.192 ( -4.321 0.000 -9.170) 10.137 5.627 ( 2.476 0.000 15.566) 15.762 6.109 ( -11.685 0.000 5.536) 12.930 7.192 ( 11.731 0.000 17.864) 21.371 7.447 ( 2.496 0.000 18.408) 18.577 8.090 ( 13.719 0.000 -1.211) 13.773 8.541 ( -5.167 0.000 5.072) 7.240 8.728 ( 10.353 0.000 -19.250) 21.858 9.045 ( -2.004 0.000 -10.865) 11.048 9.658 ( 3.976 0.000 8.112) 9.034 9.842 ( -4.189 0.000 1.986) 4.636 10.579 ( -5.351 0.000 -3.836) 6.584 10.658 ( -4.922 0.000 -11.351) 12.372 13.205 ( 1.682 0.000 1.693) 2.386 13.308 ( -2.119 0.000 -1.773) 2.763 13.333 ( 2.984 0.000 1.644) 3.407 13.461 ( -2.692 0.000 -2.441) 3.634 15.126 ( 6.533 0.000 4.112) 7.720 15.498 ( -10.004 0.000 -6.633) 12.003 ======================= Grid point 276 (88/140) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -6.294 0.000 2.945) 6.949 1.347 ( 6.294 0.000 2.945) 6.949 1.393 ( -10.917 0.000 4.199) 11.696 1.393 ( 10.917 0.000 4.199) 11.696 2.229 ( -13.924 0.000 12.939) 19.007 2.229 ( 13.924 0.000 12.939) 19.007 2.381 ( -1.000 0.000 -0.302) 1.045 2.381 ( 1.000 0.000 -0.302) 1.045 2.945 ( -19.785 0.000 -7.324) 21.097 2.945 ( 19.785 0.000 -7.324) 21.097 4.269 ( -3.010 0.000 0.517) 3.054 4.269 ( 3.010 0.000 0.517) 3.054 4.568 ( -2.789 0.000 -2.191) 3.546 4.568 ( 2.789 0.000 -2.191) 3.546 5.123 ( -1.420 0.000 -9.442) 9.548 5.123 ( 1.420 0.000 -9.442) 9.548 5.123 ( -3.091 0.000 7.799) 8.389 5.123 ( 3.091 0.000 7.799) 8.389 5.827 ( -14.227 0.000 8.189) 16.415 5.827 ( 14.227 0.000 8.189) 16.415 7.392 ( -7.081 0.000 19.840) 21.066 7.392 ( 7.081 0.000 19.840) 21.066 8.368 ( -11.445 0.000 -0.651) 11.463 8.368 ( 11.445 0.000 -0.651) 11.463 8.933 ( -8.752 0.000 -13.815) 16.354 8.933 ( 8.752 0.000 -13.815) 16.354 9.749 ( -4.702 0.000 5.131) 6.960 9.749 ( 4.702 0.000 5.131) 6.960 10.561 ( -3.339 0.000 -9.177) 9.765 10.561 ( 3.339 0.000 -9.177) 9.765 13.254 ( -2.824 0.000 0.383) 2.850 13.254 ( 2.824 0.000 0.383) 2.850 13.399 ( -3.269 0.000 -0.494) 3.306 13.399 ( 3.269 0.000 -0.494) 3.306 15.292 ( -9.428 0.000 -1.769) 9.593 15.292 ( 9.428 0.000 -1.769) 9.593 ======================= Grid point 280 (89/140) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 5.113 13.785) 14.703 1.086 ( 0.000 13.520 12.590) 18.475 1.464 ( 0.000 -6.640 7.876) 10.301 1.592 ( 0.000 9.121 -2.355) 9.420 1.807 ( 0.000 1.873 0.329) 1.902 1.907 ( 0.000 0.959 -1.788) 2.029 2.542 ( 0.000 14.553 8.090) 16.651 2.550 ( 0.000 11.296 -1.132) 11.352 2.700 ( 0.000 7.066 2.991) 7.673 3.657 ( 0.000 0.797 -11.579) 11.606 4.177 ( 0.000 -0.753 2.700) 2.803 4.319 ( 0.000 -4.683 -6.885) 8.327 4.389 ( 0.000 6.724 -2.678) 7.238 4.432 ( 0.000 0.931 -0.037) 0.931 4.686 ( 0.000 1.204 0.885) 1.495 5.156 ( 0.000 0.358 -12.493) 12.499 5.325 ( 0.000 3.942 -6.114) 7.274 5.348 ( 0.000 6.801 -7.889) 10.415 5.840 ( 0.000 -5.229 20.039) 20.710 6.217 ( 0.000 2.073 11.501) 11.687 6.857 ( 0.000 0.064 18.238) 18.239 7.152 ( 0.000 -14.040 10.000) 17.237 7.590 ( 0.000 -18.963 -0.915) 18.985 8.039 ( 0.000 -10.561 -7.431) 12.913 8.743 ( 0.000 -4.624 3.890) 6.043 8.906 ( 0.000 -15.173 -2.239) 15.337 9.279 ( 0.000 -15.428 10.426) 18.621 9.504 ( 0.000 -20.692 4.525) 21.181 11.211 ( 0.000 38.848 -4.905) 39.156 11.669 ( 0.000 46.859 -19.845) 50.888 12.978 ( 0.000 -25.413 3.865) 25.705 13.172 ( 0.000 -2.662 1.489) 3.050 13.325 ( 0.000 -2.116 -3.481) 4.074 13.341 ( 0.000 -13.545 -8.486) 15.984 15.128 ( 0.000 11.696 12.067) 16.805 15.773 ( 0.000 2.925 -9.398) 9.843 ======================= Grid point 281 (90/140) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.642 4.331 15.051) 15.675 1.171 ( 5.961 11.676 10.282) 16.661 1.520 ( 1.171 -3.175 3.024) 4.539 1.600 ( 1.283 7.446 -1.658) 7.736 1.776 ( 1.819 -0.297 7.023) 7.261 2.114 ( 14.946 1.326 -4.693) 15.721 2.529 ( -1.441 10.408 6.816) 12.525 2.556 ( 0.526 13.077 3.556) 13.562 2.678 ( -1.709 9.856 -0.190) 10.005 3.571 ( -8.269 0.546 -10.772) 13.591 4.179 ( 0.363 -1.025 2.304) 2.548 4.314 ( -0.557 -3.815 -5.616) 6.812 4.421 ( 2.790 4.683 -2.003) 5.807 4.473 ( 3.072 0.468 -1.799) 3.591 4.759 ( 6.461 -1.308 2.547) 7.067 5.106 ( -3.783 -2.730 -8.236) 9.465 5.328 ( 0.876 6.253 -5.825) 8.591 5.358 ( 0.332 8.889 -5.981) 10.719 5.729 ( -7.377 0.130 18.054) 19.504 6.223 ( -2.393 -3.401 7.554) 8.623 6.938 ( 7.635 -3.129 17.714) 19.542 7.259 ( 8.574 -8.669 13.758) 18.384 7.654 ( 7.071 -18.656 -0.634) 19.961 8.210 ( 14.205 -15.410 -11.984) 24.143 8.640 ( -8.261 -6.044 4.022) 10.998 8.898 ( -0.622 -14.795 -4.290) 15.417 9.317 ( 2.443 -14.925 9.464) 17.841 9.467 ( -3.487 -20.007 5.112) 20.942 11.220 ( 0.777 39.926 -5.649) 40.331 11.586 ( -7.372 48.768 -17.121) 52.210 12.979 ( 0.171 -26.342 3.625) 26.591 13.156 ( -1.545 -6.719 2.027) 7.187 13.265 ( -3.027 -9.324 -4.650) 10.850 13.365 ( 0.155 -6.182 -5.687) 8.402 15.172 ( 3.984 12.461 8.974) 15.864 15.725 ( -4.547 4.549 -8.514) 10.671 ======================= Grid point 282 (91/140) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 9.970 1.262 10.914) 14.836 1.319 ( 7.763 9.443 6.601) 13.893 1.478 ( -4.520 0.252 1.760) 4.857 1.579 ( -3.607 5.418 -0.791) 6.557 1.935 ( 12.240 -0.380 12.061) 17.188 2.393 ( 4.927 2.447 0.511) 5.525 2.471 ( -1.299 3.443 4.348) 5.696 2.558 ( -0.751 11.752 3.981) 12.430 2.700 ( 7.418 15.631 -4.942) 17.994 3.330 ( -14.724 1.689 -8.856) 17.264 4.199 ( 1.658 -1.675 1.514) 2.801 4.290 ( -1.782 -3.199 -3.110) 4.804 4.489 ( 3.513 1.636 -1.650) 4.212 4.534 ( 2.330 -2.074 -3.066) 4.374 4.880 ( 4.058 -6.834 2.091) 8.218 5.028 ( -3.792 -5.935 -3.923) 8.062 5.355 ( -0.017 10.764 -0.904) 10.802 5.382 ( 2.663 14.430 -3.958) 15.198 5.645 ( 1.916 1.361 14.696) 14.883 6.087 ( -10.190 -2.489 5.196) 11.706 7.125 ( 9.476 -9.045 19.210) 23.252 7.383 ( 1.288 -7.883 18.425) 20.082 7.900 ( 15.581 -16.350 -2.351) 22.707 8.400 ( -5.127 -21.550 -9.421) 24.072 8.579 ( 10.263 -4.445 -4.694) 12.129 8.886 ( -1.010 -14.017 -8.753) 16.556 9.331 ( -1.586 -18.375 8.645) 20.369 9.385 ( -3.381 -18.241 5.378) 19.316 11.239 ( 1.178 43.480 -7.512) 44.140 11.413 ( -8.143 50.642 -12.576) 52.812 12.992 ( 1.303 -27.572 2.963) 27.761 13.103 ( -3.382 -19.245 1.934) 19.635 13.241 ( 0.883 -5.345 -2.844) 6.119 13.342 ( -2.181 -4.480 -3.881) 6.316 15.281 ( 6.431 13.007 3.158) 14.850 15.595 ( -7.676 8.221 -5.939) 12.720 ======================= Grid point 283 (92/140) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -9.273 -0.540 5.521) 10.805 1.332 ( 9.273 -0.540 5.521) 10.805 1.472 ( -6.447 7.489 2.231) 10.130 1.472 ( 6.447 7.489 2.231) 10.130 2.215 ( -13.488 0.177 11.956) 18.025 2.215 ( 13.488 0.177 11.956) 18.025 2.532 ( -1.892 11.994 -0.972) 12.181 2.532 ( 1.892 11.994 -0.972) 12.181 2.991 ( -17.313 5.410 -6.779) 19.364 2.991 ( 17.313 5.410 -6.779) 19.364 4.244 ( -2.516 -2.553 -0.499) 3.619 4.244 ( 2.516 -2.553 -0.499) 3.619 4.545 ( -1.396 -2.137 -2.297) 3.434 4.545 ( 1.396 -2.137 -2.297) 3.434 4.950 ( -3.565 -6.982 -1.073) 7.912 4.950 ( 3.565 -6.982 -1.073) 7.912 5.374 ( -1.802 13.604 0.937) 13.755 5.374 ( 1.802 13.604 0.937) 13.755 5.835 ( -13.195 0.751 7.819) 15.356 5.835 ( 13.195 0.751 7.819) 15.356 7.306 ( -7.515 -10.366 20.445) 24.123 7.306 ( 7.515 -10.366 20.445) 24.123 8.205 ( -12.528 -16.205 -4.573) 20.987 8.205 ( 12.528 -16.205 -4.573) 20.987 8.798 ( -8.347 -10.328 -10.430) 16.886 8.798 ( 8.347 -10.328 -10.430) 16.886 9.326 ( -2.209 -20.223 6.439) 21.338 9.326 ( 2.209 -20.223 6.439) 21.338 11.286 ( -3.948 48.336 -9.688) 49.455 11.286 ( 3.948 48.336 -9.688) 49.455 13.035 ( -2.878 -26.091 2.173) 26.339 13.035 ( 2.878 -26.091 2.173) 26.339 13.286 ( -2.939 -3.944 -2.514) 5.524 13.286 ( 2.939 -3.944 -2.514) 5.524 15.430 ( -7.913 11.571 -2.001) 14.160 15.430 ( 7.913 11.571 -2.001) 14.160 ======================= Grid point 287 (93/140) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 7.535 8.886) 11.651 1.367 ( 0.000 5.607 12.758) 13.936 1.402 ( 0.000 9.243 3.997) 10.070 1.735 ( 0.000 4.641 1.060) 4.760 1.971 ( 0.000 14.863 0.436) 14.870 1.976 ( 0.000 6.045 -1.920) 6.343 2.755 ( 0.000 9.170 16.323) 18.722 2.806 ( 0.000 13.372 -2.138) 13.542 3.008 ( 0.000 21.641 -6.291) 22.537 3.682 ( 0.000 1.748 -10.013) 10.164 4.130 ( 0.000 -4.426 2.021) 4.866 4.189 ( 0.000 -8.355 -6.501) 10.586 4.489 ( 0.000 3.744 1.497) 4.032 4.536 ( 0.000 7.350 -3.433) 8.112 4.665 ( 0.000 -2.963 3.258) 4.404 5.122 ( 0.000 -2.862 -11.041) 11.406 5.371 ( 0.000 -1.763 1.179) 2.121 5.525 ( 0.000 8.679 -9.215) 12.659 5.691 ( 0.000 -8.232 9.384) 12.483 6.104 ( 0.000 -20.943 0.972) 20.966 6.674 ( 0.000 -17.001 20.964) 26.991 6.854 ( 0.000 -0.370 16.009) 16.013 7.524 ( 0.000 6.200 1.297) 6.334 7.752 ( 0.000 -16.835 -10.071) 19.618 8.631 ( 0.000 -8.974 5.401) 10.474 8.633 ( 0.000 -6.844 1.167) 6.942 9.062 ( 0.000 -9.574 7.420) 12.113 9.223 ( 0.000 -10.698 4.466) 11.593 11.898 ( 0.000 24.761 -4.421) 25.152 12.073 ( 0.000 -8.122 -7.206) 10.858 12.378 ( 0.000 -32.738 4.421) 33.035 12.832 ( 0.000 -23.892 -3.742) 24.184 13.331 ( 0.000 6.056 -3.745) 7.121 13.536 ( 0.000 27.731 -22.770) 35.881 15.368 ( 0.000 11.430 10.740) 15.684 15.838 ( 0.000 3.195 -5.334) 6.218 ======================= Grid point 288 (94/140) ======================= q-point: ( 0.17 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -1.234 9.874 10.170) 14.228 1.407 ( 3.248 8.340 12.206) 15.136 1.486 ( 4.589 4.778 0.594) 6.651 1.779 ( 5.093 4.208 4.622) 8.063 1.831 ( -4.786 10.536 1.169) 11.631 2.211 ( 13.215 8.400 -4.645) 16.333 2.692 ( -5.592 7.882 12.677) 15.941 2.821 ( 0.798 13.721 0.454) 13.751 3.028 ( 1.812 22.092 -5.179) 22.763 3.598 ( -7.608 2.304 -9.216) 12.171 4.125 ( -0.252 -4.964 1.252) 5.125 4.191 ( 0.018 -8.899 -6.166) 10.827 4.485 ( -0.266 1.703 0.133) 1.729 4.546 ( 0.076 5.267 -3.015) 6.069 4.702 ( 3.116 -3.565 3.806) 6.075 5.048 ( -5.993 -3.183 -8.813) 11.123 5.422 ( 5.277 -1.226 3.453) 6.425 5.519 ( 0.576 7.227 -2.452) 7.653 5.730 ( 0.707 1.428 4.007) 4.312 6.037 ( -3.084 -18.891 2.760) 19.339 6.700 ( 2.440 -16.850 20.723) 26.820 7.013 ( 10.058 -9.188 10.629) 17.279 7.521 ( 3.005 1.601 3.723) 5.045 7.872 ( 8.452 -15.430 -10.376) 20.426 8.535 ( -4.505 -4.354 3.180) 7.026 8.643 ( -1.041 -9.715 1.066) 9.829 9.087 ( 0.974 -10.560 7.133) 12.780 9.209 ( -1.514 -9.333 4.016) 10.272 11.924 ( 2.400 25.634 -4.915) 26.211 12.065 ( -0.684 -5.554 -6.733) 8.755 12.356 ( -1.827 -34.439 4.051) 34.724 12.762 ( -6.515 -22.896 -3.756) 24.099 13.335 ( 0.213 6.230 -3.650) 7.223 13.460 ( -6.028 24.999 -17.281) 30.982 15.421 ( 4.563 11.472 7.405) 14.396 15.817 ( -2.061 4.127 -5.223) 6.969 ======================= Grid point 289 (95/140) ======================= q-point: ( 0.33 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 6.549 8.635 7.871) 13.394 1.457 ( -0.709 2.730 5.026) 5.763 1.549 ( 3.567 10.297 3.733) 11.519 1.744 ( -4.084 8.917 3.327) 10.357 1.970 ( 12.607 4.583 8.073) 15.656 2.463 ( 3.399 4.872 3.539) 6.915 2.560 ( -0.090 5.994 -0.005) 5.995 2.823 ( -1.095 13.144 -0.755) 13.211 3.079 ( 3.368 21.637 -3.096) 22.115 3.400 ( -10.909 5.896 -7.147) 14.313 4.127 ( 0.549 -6.447 -0.052) 6.471 4.179 ( -1.229 -9.466 -4.362) 10.495 4.483 ( 0.310 -2.243 -1.225) 2.574 4.531 ( -1.286 1.609 -3.001) 3.640 4.765 ( 2.862 -4.585 1.614) 5.641 4.924 ( -5.396 -4.710 -4.965) 8.715 5.536 ( 2.887 5.285 3.920) 7.185 5.614 ( 10.656 5.530 3.541) 12.517 5.683 ( -3.798 4.883 5.978) 8.603 5.998 ( -3.175 -6.619 3.201) 8.009 6.776 ( 5.604 -22.535 18.087) 29.434 7.092 ( -3.158 -19.705 10.201) 22.412 7.702 ( 12.486 -2.756 4.124) 13.435 7.992 ( 1.582 -14.789 -7.032) 16.452 8.533 ( 4.727 -1.835 -1.452) 5.274 8.631 ( 0.569 -10.911 -2.333) 11.172 9.063 ( -2.792 -11.241 6.294) 13.182 9.152 ( -4.323 -8.194 3.301) 9.835 11.982 ( 2.768 26.233 -5.706) 26.989 12.047 ( -0.973 2.932 -5.712) 6.494 12.332 ( 0.495 -37.258 2.437) 37.341 12.587 ( -9.638 -23.111 -3.409) 25.271 13.331 ( -0.670 8.915 -3.477) 9.592 13.353 ( -3.356 16.642 -8.544) 19.006 15.531 ( 5.775 10.962 2.006) 12.551 15.751 ( -4.276 6.588 -4.300) 8.954 ======================= Grid point 290 (96/140) ======================= q-point: (-0.50 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -6.897 4.721 3.590) 9.096 1.367 ( 6.897 4.721 3.590) 9.096 1.649 ( -5.165 9.675 4.951) 12.033 1.649 ( 5.165 9.675 4.951) 12.033 2.254 ( -13.919 3.944 10.513) 17.883 2.254 ( 13.919 3.944 10.513) 17.883 2.744 ( -7.493 8.292 -5.967) 12.670 2.744 ( 7.493 8.292 -5.967) 12.670 3.191 ( -8.172 15.030 -3.597) 17.482 3.191 ( 8.172 15.030 -3.597) 17.482 4.149 ( -1.461 -8.516 -1.930) 8.853 4.149 ( 1.461 -8.516 -1.930) 8.853 4.502 ( -1.378 -1.866 -2.470) 3.389 4.502 ( 1.378 -1.866 -2.470) 3.389 4.831 ( -3.770 -5.382 -1.732) 6.796 4.831 ( 3.770 -5.382 -1.732) 6.796 5.600 ( -3.593 7.967 4.395) 9.783 5.600 ( 3.593 7.967 4.395) 9.783 5.854 ( -10.468 1.183 6.192) 12.220 5.854 ( 10.468 1.183 6.192) 12.220 6.940 ( -9.486 -24.319 14.376) 29.800 6.940 ( 9.486 -24.319 14.376) 29.800 7.926 ( -7.724 -8.869 -0.642) 11.778 7.926 ( 7.724 -8.869 -0.642) 11.778 8.634 ( -2.460 -7.140 -4.671) 8.880 8.634 ( 2.460 -7.140 -4.671) 8.880 9.052 ( -3.389 -9.796 4.564) 11.326 9.052 ( 3.389 -9.796 4.564) 11.326 12.024 ( -1.397 16.597 -5.384) 17.504 12.024 ( 1.397 16.597 -5.384) 17.504 12.407 ( -6.853 -30.671 -1.022) 31.444 12.407 ( 6.853 -30.671 -1.022) 31.444 13.321 ( -0.325 11.359 -4.261) 12.136 13.321 ( 0.325 11.359 -4.261) 12.136 15.649 ( -5.511 9.265 -1.950) 10.955 15.649 ( 5.511 9.265 -1.950) 10.955 ======================= Grid point 294 (97/140) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 0.000 8.499 4.560) 9.645 1.454 ( 0.000 8.199 5.105) 9.659 1.644 ( 0.000 10.217 5.619) 11.660 1.829 ( 0.000 5.482 1.345) 5.644 2.127 ( 0.000 8.599 -0.944) 8.651 2.294 ( 0.000 16.523 2.889) 16.773 2.965 ( 0.000 12.179 13.335) 18.059 3.028 ( 0.000 8.814 -3.492) 9.480 3.449 ( 0.000 22.497 -4.873) 23.018 3.699 ( 0.000 -3.448 -3.765) 5.105 3.986 ( 0.000 -9.991 -4.811) 11.089 3.996 ( 0.000 -9.449 0.525) 9.464 4.498 ( 0.000 -3.030 1.092) 3.221 4.602 ( 0.000 -3.088 -3.170) 4.425 4.669 ( 0.000 5.064 5.727) 7.645 5.085 ( 0.000 0.361 -10.304) 10.310 5.223 ( 0.000 -10.006 2.650) 10.351 5.460 ( 0.000 -21.910 -0.994) 21.933 5.593 ( 0.000 -2.930 1.048) 3.112 5.734 ( 0.000 -0.405 -5.000) 5.016 6.566 ( 0.000 -1.176 16.356) 16.399 6.831 ( 0.000 -2.586 10.089) 10.415 7.459 ( 0.000 -12.238 -2.862) 12.568 7.702 ( 0.000 10.632 -1.930) 10.806 8.462 ( 0.000 -10.818 1.152) 10.879 8.562 ( 0.000 0.401 4.454) 4.472 8.866 ( 0.000 -10.154 7.190) 12.442 9.030 ( 0.000 -9.450 4.549) 10.488 11.637 ( 0.000 -29.164 0.922) 29.179 11.656 ( 0.000 -32.701 0.792) 32.710 12.141 ( 0.000 -5.788 -1.510) 5.981 12.367 ( 0.000 -24.110 -3.987) 24.437 13.669 ( 0.000 27.084 -3.630) 27.327 14.102 ( 0.000 26.675 -24.273) 36.066 15.545 ( 0.000 6.232 9.254) 11.157 15.876 ( 0.000 0.296 -2.629) 2.646 ======================= Grid point 295 (98/140) ======================= q-point: ( 0.17 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 1.729 12.813 4.797) 13.790 1.499 ( 3.403 5.972 4.798) 8.383 1.685 ( 3.513 10.106 5.127) 11.865 1.862 ( 3.053 5.467 5.206) 8.143 2.059 ( -2.992 11.083 -0.693) 11.500 2.418 ( 8.888 11.860 -1.337) 14.881 2.871 ( -7.687 10.121 8.518) 15.299 3.055 ( 0.838 9.759 -0.773) 9.825 3.469 ( 1.679 22.145 -4.034) 22.572 3.637 ( -5.047 -1.614 -3.379) 6.285 3.951 ( -3.241 -13.649 -4.335) 14.683 3.973 ( -1.968 -10.297 -0.885) 10.521 4.464 ( -2.413 -2.926 0.789) 3.874 4.597 ( -1.036 -1.622 -3.650) 4.126 4.700 ( 1.882 3.819 3.853) 5.742 4.995 ( -6.722 -1.858 -7.063) 9.926 5.261 ( 4.891 -11.314 4.440) 13.101 5.553 ( 7.379 -15.568 0.376) 17.232 5.661 ( 3.896 -1.087 1.565) 4.337 5.777 ( 5.262 1.609 -4.226) 6.939 6.528 ( -2.901 -3.232 15.980) 16.559 6.851 ( -0.769 -8.140 6.100) 10.201 7.471 ( 3.433 -8.857 3.300) 10.056 7.772 ( 4.925 4.968 -3.267) 7.721 8.426 ( -1.778 -9.015 1.263) 9.275 8.539 ( -1.606 0.316 2.545) 3.026 8.881 ( 0.292 -10.225 6.790) 12.278 9.043 ( 0.690 -8.045 3.577) 8.831 11.620 ( -1.524 -31.034 1.175) 31.093 11.645 ( -0.958 -32.910 1.153) 32.944 12.137 ( -0.211 -6.131 -2.017) 6.458 12.341 ( -2.419 -21.810 -3.983) 22.302 13.680 ( 1.062 27.469 -3.906) 27.765 14.026 ( -6.474 28.282 -20.055) 35.271 15.589 ( 3.836 5.446 6.422) 9.253 15.866 ( -1.096 0.451 -2.698) 2.947 ======================= Grid point 296 (99/140) ======================= q-point: ( 0.33 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 3.931 13.719 3.571) 14.711 1.549 ( 0.662 7.044 2.204) 7.410 1.760 ( 3.426 10.379 6.057) 12.496 1.893 ( -1.542 6.905 8.118) 10.768 2.115 ( 9.481 9.213 1.292) 13.283 2.591 ( 1.667 8.356 6.637) 10.800 2.696 ( -2.949 7.218 -5.231) 9.390 3.024 ( -4.530 7.403 -3.793) 9.472 3.501 ( 0.985 20.269 -2.543) 20.451 3.545 ( -2.921 5.962 -1.563) 6.821 3.883 ( -2.321 -18.521 -4.227) 19.138 3.922 ( -2.698 -13.846 -2.647) 14.353 4.438 ( 0.367 -1.827 -0.391) 1.904 4.550 ( -3.297 -0.275 -3.890) 5.106 4.718 ( 0.409 -0.464 0.264) 0.673 4.853 ( -6.433 -2.198 -4.641) 8.231 5.458 ( 12.520 -9.649 9.025) 18.202 5.689 ( 2.159 -5.228 4.295) 7.102 5.709 ( 4.769 3.451 3.554) 6.877 5.917 ( 4.974 -0.494 -2.008) 5.387 6.469 ( -1.503 -7.899 13.070) 15.345 6.745 ( -8.867 -13.945 3.533) 16.898 7.620 ( 9.531 -9.365 7.640) 15.392 7.844 ( 1.083 -2.149 -0.754) 2.521 8.433 ( 2.402 -8.033 0.930) 8.436 8.529 ( 0.583 0.686 -1.181) 1.485 8.865 ( -0.770 -8.645 5.262) 10.150 9.022 ( -3.397 -5.590 1.588) 6.732 11.589 ( -1.040 -33.871 1.990) 33.945 11.619 ( -1.547 -33.928 1.758) 34.009 12.145 ( 1.280 -7.618 -3.221) 8.370 12.273 ( -3.914 -16.560 -4.206) 17.529 13.712 ( 2.121 28.720 -4.861) 29.206 13.882 ( -6.621 30.393 -12.604) 33.563 15.679 ( 4.517 3.976 1.890) 6.307 15.829 ( -2.468 1.176 -2.451) 3.671 ======================= Grid point 297 (100/140) ======================= q-point: (-0.50 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -3.213 10.416 1.572) 11.013 1.519 ( 3.213 10.416 1.572) 11.013 1.832 ( -3.616 9.034 6.396) 11.645 1.832 ( 3.616 9.034 6.396) 11.645 2.371 ( -13.728 7.858 7.577) 17.539 2.371 ( 13.728 7.858 7.577) 17.539 2.866 ( -10.081 4.969 -8.123) 13.867 2.866 ( 10.081 4.969 -8.123) 13.867 3.514 ( -0.776 15.196 -0.937) 15.245 3.514 ( 0.776 15.196 -0.937) 15.245 3.875 ( -1.413 -17.811 -3.930) 18.295 3.875 ( 1.413 -17.811 -3.930) 18.295 4.478 ( -3.188 -0.814 -2.200) 3.958 4.478 ( 3.188 -0.814 -2.200) 3.958 4.751 ( -3.227 -2.516 -2.527) 4.809 4.751 ( 3.227 -2.516 -2.527) 4.809 5.652 ( -4.881 -2.117 7.710) 9.368 5.652 ( 4.881 -2.117 7.710) 9.368 5.872 ( -8.373 0.172 3.916) 9.246 5.872 ( 8.373 0.172 3.916) 9.246 6.545 ( -8.659 -13.416 6.349) 17.183 6.545 ( 8.659 -13.416 6.349) 17.183 7.793 ( -6.056 -7.822 4.565) 10.895 7.793 ( 6.056 -7.822 4.565) 10.895 8.504 ( -3.476 -5.171 -0.281) 6.237 8.504 ( 3.476 -5.171 -0.281) 6.237 8.915 ( -5.576 -4.645 1.502) 7.411 8.915 ( 5.576 -4.645 1.502) 7.411 11.589 ( -0.998 -34.772 2.275) 34.861 11.589 ( 0.998 -34.772 2.275) 34.861 12.194 ( -3.413 -11.174 -4.167) 12.404 12.194 ( 3.413 -11.174 -4.167) 12.404 13.773 ( -3.976 30.260 -7.332) 31.388 13.773 ( 3.976 30.260 -7.332) 31.388 15.765 ( -3.716 2.485 -1.100) 4.604 15.765 ( 3.716 2.485 -1.100) 4.604 ======================= Grid point 301 (101/140) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.000 10.163 1.900) 10.339 1.681 ( 0.000 14.019 0.069) 14.019 1.812 ( 0.000 7.958 4.450) 9.117 1.950 ( 0.000 6.727 1.142) 6.823 2.278 ( 0.000 6.178 0.185) 6.181 2.551 ( 0.000 7.555 0.901) 7.609 3.170 ( 0.000 5.283 10.309) 11.584 3.185 ( 0.000 9.869 1.356) 9.962 3.396 ( 0.000 -21.184 -0.031) 21.184 3.795 ( 0.000 -6.551 -1.749) 6.781 3.860 ( 0.000 17.913 -3.704) 18.292 4.002 ( 0.000 8.591 -1.998) 8.820 4.456 ( 0.000 -7.436 -0.690) 7.468 4.469 ( 0.000 0.527 1.473) 1.565 4.788 ( 0.000 5.611 4.583) 7.245 5.069 ( 0.000 -5.901 0.857) 5.963 5.090 ( 0.000 -5.850 -3.037) 6.592 5.175 ( 0.000 -2.343 -3.802) 4.466 5.535 ( 0.000 -2.731 -1.820) 3.281 5.748 ( 0.000 -0.432 -6.800) 6.814 6.531 ( 0.000 -2.736 10.216) 10.576 6.732 ( 0.000 -7.740 3.139) 8.352 7.280 ( 0.000 -6.259 4.878) 7.936 7.845 ( 0.000 -1.071 -11.272) 11.323 8.259 ( 0.000 -5.712 9.561) 11.137 8.524 ( 0.000 -8.070 0.922) 8.122 8.752 ( 0.000 1.682 6.758) 6.964 8.858 ( 0.000 -7.563 3.598) 8.376 11.084 ( 0.000 -24.385 1.487) 24.431 11.097 ( 0.000 -23.857 1.729) 23.920 11.875 ( 0.000 -18.985 -2.020) 19.093 11.882 ( 0.000 -25.190 -1.774) 25.252 14.248 ( 0.000 29.543 -3.512) 29.751 14.553 ( 0.000 19.827 -16.780) 25.975 15.605 ( 0.000 -0.026 7.315) 7.315 15.838 ( 0.000 -4.371 -1.352) 4.575 ======================= Grid point 302 (102/140) ======================= q-point: ( 0.17 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 5.895 10.599 2.094) 12.308 1.696 ( 1.247 14.421 1.349) 14.538 1.850 ( 3.511 7.367 4.067) 9.118 1.995 ( 4.095 7.913 3.666) 9.635 2.236 ( -2.456 6.469 -1.231) 7.028 2.618 ( 5.487 6.104 -1.662) 8.374 3.047 ( -8.833 6.683 6.641) 12.915 3.218 ( -0.712 6.638 1.462) 6.834 3.349 ( -3.044 -19.782 1.073) 20.043 3.736 ( -5.319 -7.122 -3.933) 9.720 3.870 ( 0.786 17.950 -3.097) 18.232 3.955 ( -3.856 8.440 -1.721) 9.437 4.419 ( -1.298 -2.140 0.752) 2.614 4.524 ( 2.490 -2.514 -0.250) 3.547 4.794 ( -2.902 4.171 2.151) 5.518 4.925 ( -2.987 -6.098 0.008) 6.790 5.115 ( -0.227 -3.720 0.174) 3.731 5.343 ( 13.789 -3.184 -2.306) 14.339 5.663 ( 8.152 -2.337 -0.960) 8.535 5.771 ( 2.587 -1.800 -4.689) 5.649 6.486 ( -3.826 -2.059 9.900) 10.811 6.683 ( -4.983 -9.311 1.987) 10.746 7.281 ( 0.921 -9.499 7.165) 11.934 7.813 ( -3.396 -6.900 -8.977) 11.821 8.278 ( 2.270 -2.032 8.394) 8.930 8.552 ( 2.722 -2.605 -1.188) 3.950 8.738 ( -1.480 -1.600 7.266) 7.586 8.898 ( 2.880 -6.192 2.734) 7.356 11.052 ( -2.570 -24.781 1.681) 24.971 11.081 ( -1.532 -23.452 1.446) 23.547 11.854 ( -0.968 -20.705 -1.404) 20.775 11.894 ( 0.177 -23.030 -2.337) 23.149 14.261 ( 1.250 29.392 -3.718) 29.653 14.513 ( -3.486 21.581 -14.308) 26.126 15.632 ( 2.371 -0.930 5.501) 6.062 15.827 ( -0.980 -4.384 -1.349) 4.691 ======================= Grid point 303 (103/140) ======================= q-point: ( 0.33 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 2.787 10.069 2.219) 10.681 1.726 ( 1.827 14.737 1.856) 14.965 1.938 ( 4.257 7.872 3.127) 9.480 2.052 ( -0.388 9.713 8.244) 12.746 2.278 ( 8.490 6.287 -3.006) 10.984 2.757 ( 8.124 4.252 -3.953) 9.985 2.817 ( -13.116 6.208 4.537) 15.204 3.127 ( -7.271 1.064 -2.146) 7.656 3.341 ( 2.445 -13.782 0.215) 13.999 3.603 ( -7.269 -8.635 -5.766) 12.675 3.868 ( -0.992 13.274 -2.541) 13.552 3.899 ( -0.812 12.721 -2.179) 12.932 4.414 ( 0.943 -0.807 0.919) 1.544 4.527 ( -2.443 -1.307 -0.850) 2.899 4.713 ( -2.381 -0.832 -1.758) 3.074 4.828 ( -6.082 -1.305 -3.570) 7.172 5.298 ( 14.792 -5.135 8.298) 17.721 5.587 ( 7.423 -3.912 1.573) 8.537 5.750 ( 2.346 0.417 2.242) 3.272 5.877 ( 4.844 -4.457 -2.103) 6.910 6.395 ( -4.177 -1.426 7.281) 8.514 6.541 ( -7.801 -7.952 1.178) 11.202 7.359 ( 6.954 -16.170 7.577) 19.163 7.706 ( -6.854 -15.185 -3.366) 16.997 8.355 ( 4.934 1.174 6.068) 7.908 8.585 ( -2.545 4.502 0.744) 5.225 8.731 ( 3.486 -5.214 3.549) 7.207 8.926 ( -1.078 -4.130 0.725) 4.329 11.003 ( -1.630 -24.512 1.858) 24.636 11.039 ( -2.330 -23.533 1.223) 23.680 11.845 ( 0.189 -20.451 -1.415) 20.501 11.885 ( -0.977 -22.299 -2.379) 22.447 14.298 ( 2.253 28.834 -4.451) 29.262 14.430 ( -4.133 24.947 -9.682) 27.077 15.691 ( 3.072 -2.531 2.265) 4.580 15.798 ( -1.890 -4.240 -1.092) 4.769 ======================= Grid point 304 (104/140) ======================= q-point: (-0.50 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -0.447 11.902 1.930) 12.065 1.746 ( 0.447 11.902 1.930) 12.065 2.010 ( -2.892 9.444 4.066) 10.681 2.010 ( 2.892 9.444 4.066) 10.681 2.529 ( -14.160 6.418 2.628) 15.767 2.529 ( 14.160 6.418 2.628) 15.767 2.947 ( -9.703 2.362 -3.932) 10.732 2.947 ( 9.703 2.362 -3.932) 10.732 3.446 ( -7.293 -11.667 -3.876) 14.294 3.446 ( 7.293 -11.667 -3.876) 14.294 3.877 ( -1.430 13.085 -2.612) 13.419 3.877 ( 1.430 13.085 -2.612) 13.419 4.457 ( -3.189 -1.334 0.399) 3.480 4.457 ( 3.189 -1.334 0.399) 3.480 4.725 ( -3.259 -0.702 -3.840) 5.085 4.725 ( 3.259 -0.702 -3.840) 5.085 5.570 ( -8.563 -5.091 7.765) 12.630 5.570 ( 8.563 -5.091 7.765) 12.630 5.852 ( -6.268 -2.376 2.172) 7.046 5.852 ( 6.268 -2.376 2.172) 7.046 6.399 ( -5.078 -3.174 2.018) 6.319 6.399 ( 5.078 -3.174 2.018) 6.319 7.537 ( -9.204 -18.742 2.876) 21.077 7.537 ( 9.204 -18.742 2.876) 21.077 8.474 ( -6.365 1.964 4.768) 8.192 8.474 ( 6.365 1.964 4.768) 8.192 8.849 ( -5.859 -2.621 -0.422) 6.432 8.849 ( 5.859 -2.621 -0.422) 6.432 10.999 ( -1.195 -23.918 1.560) 23.998 10.999 ( 1.195 -23.918 1.560) 23.998 11.860 ( -1.170 -21.105 -1.951) 21.227 11.860 ( 1.170 -21.105 -1.951) 21.227 14.354 ( -3.220 27.510 -6.212) 28.386 14.354 ( 3.220 27.510 -6.212) 28.386 15.751 ( -2.663 -3.674 -0.038) 4.538 15.751 ( 2.664 -3.674 -0.038) 4.538 ======================= Grid point 308 (105/140) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 11.513 0.935) 11.551 1.906 ( 0.000 7.101 -2.271) 7.456 2.025 ( 0.000 14.362 3.029) 14.678 2.087 ( 0.000 7.414 0.921) 7.471 2.358 ( 0.000 2.043 0.735) 2.172 2.567 ( 0.000 -3.469 -0.370) 3.489 3.038 ( 0.000 -14.424 -4.545) 15.123 3.084 ( 0.000 -10.675 1.152) 10.737 3.501 ( 0.000 21.181 9.442) 23.190 3.865 ( 0.000 12.618 3.797) 13.176 4.142 ( 0.000 9.284 0.918) 9.329 4.210 ( 0.000 11.368 0.841) 11.399 4.401 ( 0.000 1.778 0.453) 1.835 4.509 ( 0.000 3.227 2.333) 3.982 4.815 ( 0.000 -5.120 3.190) 6.032 4.942 ( 0.000 -7.507 0.611) 7.532 5.000 ( 0.000 0.140 3.169) 3.172 5.162 ( 0.000 -2.255 -5.408) 5.859 5.512 ( 0.000 0.730 -7.749) 7.784 5.714 ( 0.000 -2.852 -8.129) 8.614 6.457 ( 0.000 -4.823 3.705) 6.082 6.543 ( 0.000 -10.721 -0.569) 10.736 7.200 ( 0.000 -2.160 7.116) 7.437 7.606 ( 0.000 -17.527 -4.998) 18.226 8.266 ( 0.000 0.460 4.849) 4.871 8.325 ( 0.000 -9.701 0.756) 9.731 8.782 ( 0.000 1.146 2.235) 2.512 8.846 ( 0.000 5.470 2.563) 6.041 10.734 ( 0.000 -11.135 2.043) 11.321 10.749 ( 0.000 -11.262 1.577) 11.372 11.409 ( 0.000 -22.152 0.722) 22.164 11.467 ( 0.000 -21.283 -0.859) 21.300 14.776 ( 0.000 24.019 -3.134) 24.223 14.896 ( 0.000 15.628 -9.008) 18.038 15.548 ( 0.000 -5.622 4.754) 7.363 15.706 ( 0.000 -8.974 -1.078) 9.038 ======================= Grid point 309 (106/140) ======================= q-point: ( 0.17 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 5.876 11.364 1.549) 12.886 1.947 ( 2.850 8.201 -1.104) 8.752 2.027 ( 0.434 12.330 3.535) 12.834 2.151 ( 6.398 7.158 0.917) 9.644 2.309 ( -3.440 1.811 0.239) 3.895 2.620 ( 4.230 -3.518 -2.914) 6.226 2.979 ( -5.802 -12.079 -3.561) 13.865 3.040 ( -3.352 -9.416 0.912) 10.036 3.500 ( -0.272 20.908 7.819) 22.324 3.823 ( -4.322 14.143 1.098) 14.829 4.140 ( -1.715 8.302 1.426) 8.596 4.168 ( -2.131 12.317 -0.441) 12.508 4.397 ( 0.219 1.035 1.288) 1.666 4.534 ( 1.490 2.310 3.080) 4.128 4.764 ( -5.783 -6.722 -0.384) 8.875 4.836 ( -2.895 -4.098 -0.124) 5.019 5.074 ( 4.801 0.583 3.251) 5.827 5.353 ( 13.646 0.665 -4.067) 14.255 5.567 ( 5.066 -5.687 -4.483) 8.837 5.726 ( 1.106 -2.735 -5.878) 6.576 6.429 ( -2.299 -4.140 3.127) 5.675 6.485 ( -4.879 -10.517 -0.646) 11.612 7.119 ( -6.146 -6.495 7.347) 11.573 7.508 ( -8.604 -19.590 -4.684) 21.903 8.311 ( 4.724 1.137 5.532) 7.363 8.447 ( 9.203 -5.352 0.178) 10.648 8.780 ( -2.339 2.629 4.089) 5.394 8.851 ( 1.641 2.332 0.896) 2.989 10.694 ( -2.237 -11.169 2.361) 11.633 10.762 ( -0.161 -9.249 1.018) 9.306 11.407 ( -0.116 -22.515 0.460) 22.520 11.457 ( -0.886 -21.792 -1.019) 21.834 14.783 ( 0.697 23.637 -3.125) 23.853 14.883 ( -1.121 16.618 -7.826) 18.402 15.560 ( 1.151 -6.162 3.867) 7.366 15.697 ( -0.898 -8.870 -0.975) 8.969 ======================= Grid point 310 (107/140) ======================= q-point: ( 0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 2.427 11.110 2.349) 11.612 1.978 ( -0.062 10.217 1.243) 10.293 2.088 ( 5.749 7.699 1.436) 9.715 2.241 ( -1.846 7.407 1.950) 7.878 2.341 ( 9.860 1.750 -0.562) 10.030 2.720 ( 4.250 -5.075 -8.820) 11.028 2.815 ( -8.178 -5.894 3.694) 10.736 2.979 ( -2.787 -8.888 -2.272) 9.588 3.490 ( 0.016 21.729 4.392) 22.168 3.699 ( -7.221 16.638 -1.974) 18.244 4.083 ( -1.149 9.537 -0.292) 9.611 4.153 ( -0.983 10.804 -0.663) 10.868 4.410 ( 0.808 0.597 2.171) 2.392 4.513 ( -3.960 -0.040 2.875) 4.894 4.683 ( -1.046 -1.806 -4.583) 5.036 4.769 ( -3.624 -5.175 -3.560) 7.251 5.250 ( 11.486 -0.561 6.434) 13.177 5.534 ( 2.315 -1.779 -0.448) 2.954 5.695 ( 4.574 -7.814 -0.770) 9.087 5.773 ( 3.727 -4.342 -1.684) 5.965 6.370 ( -2.440 -2.563 0.824) 3.634 6.411 ( -1.239 -4.710 0.214) 4.875 7.029 ( -1.085 -15.972 5.447) 16.910 7.299 ( -10.809 -23.362 -3.360) 25.960 8.425 ( 5.773 4.265 6.023) 9.370 8.643 ( 8.985 -3.056 -0.162) 9.492 8.683 ( -6.232 3.977 6.019) 9.534 8.872 ( -0.906 -1.373 0.238) 1.662 10.667 ( -0.063 -9.118 2.042) 9.344 10.738 ( -1.973 -7.250 0.641) 7.541 11.408 ( 0.276 -23.025 -0.226) 23.027 11.436 ( -1.016 -22.672 -1.202) 22.726 14.802 ( 1.109 22.565 -3.224) 22.821 14.856 ( -1.426 18.805 -5.530) 19.653 15.592 ( 1.881 -7.226 2.028) 7.737 15.671 ( -1.594 -8.574 -0.556) 8.739 ======================= Grid point 311 (108/140) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -1.279 10.054 1.920) 10.315 1.962 ( 1.279 10.054 1.920) 10.315 2.190 ( -3.466 7.880 0.169) 8.610 2.190 ( 3.466 7.880 0.169) 8.610 2.564 ( -11.477 -1.461 0.400) 11.576 2.564 ( 11.477 -1.461 0.400) 11.576 2.885 ( -6.650 -6.799 -3.089) 10.000 2.885 ( 6.650 -6.799 -3.089) 10.000 3.551 ( -6.118 20.216 -0.247) 21.123 3.551 ( 6.118 20.216 -0.247) 21.123 4.110 ( -2.819 10.194 -1.161) 10.641 4.110 ( 2.819 10.194 -1.161) 10.641 4.436 ( -2.299 -0.459 2.251) 3.250 4.436 ( 2.299 -0.459 2.251) 3.250 4.703 ( -2.430 -1.928 -5.181) 6.039 4.703 ( 2.430 -1.928 -5.181) 6.039 5.471 ( -8.031 -4.726 5.328) 10.734 5.471 ( 8.031 -4.726 5.328) 10.734 5.769 ( -3.488 -6.481 0.003) 7.360 5.769 ( 3.488 -6.481 0.003) 7.360 6.384 ( -2.143 1.382 0.271) 2.564 6.384 ( 2.143 1.382 0.271) 2.564 7.099 ( -7.517 -24.282 0.193) 25.419 7.099 ( 7.517 -24.282 0.193) 25.419 8.548 ( -6.363 4.839 6.285) 10.169 8.548 ( 6.363 4.839 6.285) 10.169 8.800 ( -5.873 -2.668 0.358) 6.461 8.800 ( 5.873 -2.668 0.358) 6.461 10.692 ( -2.162 -7.145 1.110) 7.547 10.692 ( 2.162 -7.145 1.110) 7.547 11.418 ( -0.708 -23.111 -0.941) 23.141 11.418 ( 0.708 -23.111 -0.941) 23.141 14.827 ( -1.310 20.943 -3.868) 21.337 14.827 ( 1.310 20.943 -3.868) 21.337 15.633 ( -1.988 -8.069 0.412) 8.320 15.633 ( 1.988 -8.069 0.412) 8.320 ======================= Grid point 315 (109/140) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.000 5.859 0.520) 5.882 1.987 ( 0.000 1.120 -0.643) 1.292 2.240 ( 0.000 7.328 0.444) 7.341 2.279 ( 0.000 8.537 -0.555) 8.555 2.372 ( 0.000 1.353 1.208) 1.814 2.488 ( 0.000 -5.105 -0.460) 5.126 2.837 ( 0.000 -4.815 -3.173) 5.766 2.885 ( 0.000 -8.136 -1.695) 8.311 3.922 ( 0.000 19.297 8.306) 21.009 4.164 ( 0.000 6.576 3.802) 7.596 4.190 ( 0.000 4.464 10.010) 10.960 4.378 ( 0.000 2.004 5.040) 5.424 4.482 ( 0.000 4.270 -0.250) 4.277 4.543 ( 0.000 -3.215 3.457) 4.721 4.688 ( 0.000 -0.442 2.742) 2.778 4.792 ( 0.000 -7.596 1.538) 7.750 5.032 ( 0.000 2.022 -1.743) 2.669 5.090 ( 0.000 -4.105 -4.702) 6.242 5.560 ( 0.000 3.897 -11.047) 11.714 5.644 ( 0.000 -4.170 -10.201) 11.021 6.358 ( 0.000 -4.023 -0.883) 4.118 6.366 ( 0.000 -5.634 -1.627) 5.864 7.198 ( 0.000 2.275 6.371) 6.765 7.316 ( 0.000 -10.554 3.252) 11.044 8.197 ( 0.000 -2.742 -0.665) 2.822 8.215 ( 0.000 -3.636 -0.408) 3.659 8.870 ( 0.000 5.171 1.411) 5.360 8.916 ( 0.000 0.894 1.068) 1.393 10.634 ( 0.000 -0.279 1.159) 1.192 10.645 ( 0.000 -0.925 0.434) 1.022 11.073 ( 0.000 -9.939 3.162) 10.430 11.110 ( 0.000 -12.936 1.864) 13.070 15.173 ( 0.000 12.785 -2.949) 13.121 15.185 ( 0.000 18.038 -2.370) 18.193 15.395 ( 0.000 -9.783 1.438) 9.888 15.489 ( 0.000 -13.214 -1.553) 13.305 ======================= Grid point 316 (110/140) ======================= q-point: ( 0.17 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 5.919 5.644 0.726) 8.211 2.052 ( 4.917 1.875 -0.410) 5.278 2.235 ( -2.208 6.569 0.761) 6.971 2.249 ( -0.295 3.407 -0.602) 3.472 2.376 ( 1.388 6.158 1.231) 6.431 2.527 ( 2.627 -6.923 -2.830) 7.927 2.814 ( -1.963 -2.911 -2.069) 4.075 2.870 ( -1.432 -7.083 -1.137) 7.315 3.929 ( 0.696 19.747 7.464) 21.122 4.151 ( -1.946 15.217 4.815) 16.079 4.184 ( -0.580 -3.552 6.323) 7.275 4.341 ( -2.706 1.683 4.671) 5.654 4.453 ( -2.068 4.212 0.030) 4.693 4.548 ( 0.437 -3.531 1.952) 4.058 4.661 ( -1.642 -0.354 -0.721) 1.828 4.724 ( -4.813 -5.538 -1.586) 7.506 5.127 ( 7.628 4.586 1.598) 9.042 5.263 ( 13.132 -8.425 -0.365) 15.606 5.551 ( -0.567 3.979 -9.464) 10.282 5.654 ( 0.939 -4.970 -8.477) 9.871 6.318 ( -3.683 -4.877 -2.481) 6.596 6.327 ( -2.097 -4.934 -2.095) 5.756 7.058 ( -11.088 1.000 5.741) 12.527 7.181 ( -11.284 -11.944 2.125) 16.568 8.309 ( 9.413 0.531 1.344) 9.523 8.358 ( 10.615 -4.020 0.199) 11.353 8.853 ( -2.183 4.184 2.479) 5.330 8.897 ( -1.690 0.382 1.151) 2.080 10.622 ( 0.253 2.887 1.493) 3.260 10.685 ( 2.473 -0.993 -0.077) 2.666 11.047 ( -2.272 -11.375 2.646) 11.898 11.089 ( -1.860 -13.769 1.277) 13.952 15.171 ( -0.071 13.493 -2.463) 13.716 15.187 ( 0.077 17.314 -2.328) 17.470 15.400 ( 0.508 -10.025 1.228) 10.112 15.484 ( -0.557 -12.940 -1.392) 13.026 ======================= Grid point 317 (111/140) ======================= q-point: ( 0.33 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 2.068 4.824 -0.627) 5.286 2.134 ( 2.671 7.800 0.003) 8.245 2.192 ( 0.914 2.103 -1.791) 2.910 2.270 ( 0.513 -1.854 -1.175) 2.254 2.448 ( 5.825 7.242 2.829) 9.715 2.594 ( 4.549 -7.333 -3.856) 9.452 2.754 ( -4.275 0.565 1.688) 4.631 2.828 ( -2.777 -6.316 -0.846) 6.952 3.951 ( 1.579 20.815 5.312) 21.540 4.079 ( -4.071 18.241 3.051) 18.937 4.181 ( 0.559 -1.871 4.095) 4.537 4.289 ( -2.613 -0.165 3.941) 4.732 4.430 ( 0.368 3.717 -1.284) 3.950 4.550 ( -1.421 2.056 -1.136) 2.745 4.618 ( -1.881 -6.538 -2.922) 7.404 4.655 ( -1.408 -3.046 -3.814) 5.080 5.285 ( 7.128 5.392 2.482) 9.276 5.473 ( 4.913 -11.503 -1.870) 12.648 5.543 ( -0.756 2.246 -1.705) 2.919 5.666 ( -1.048 -7.490 -3.709) 8.423 6.305 ( 5.049 -1.425 -3.035) 6.061 6.341 ( 4.938 -3.938 -3.061) 7.019 6.820 ( -11.226 -3.463 3.779) 12.340 6.916 ( -13.650 -13.199 0.655) 18.999 8.499 ( 8.161 3.557 3.682) 9.634 8.572 ( 9.392 -3.829 1.898) 10.319 8.770 ( -5.441 4.540 4.285) 8.281 8.843 ( -3.853 -2.454 1.959) 4.971 10.653 ( 2.647 6.807 1.322) 7.422 10.728 ( 1.145 4.027 -0.245) 4.194 10.999 ( -1.775 -16.170 1.221) 16.313 11.042 ( -2.552 -16.258 0.155) 16.458 15.173 ( 0.247 14.494 -1.786) 14.606 15.186 ( -0.144 16.343 -2.015) 16.467 15.416 ( 1.064 -10.678 0.653) 10.750 15.467 ( -1.061 -12.278 -0.904) 12.357 ======================= Grid point 318 (112/140) ======================= q-point: (-0.50 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -0.452 7.796 -1.022) 7.876 2.138 ( 0.452 7.796 -1.022) 7.876 2.249 ( -2.345 -2.546 -3.043) 4.609 2.249 ( 2.345 -2.546 -3.043) 4.609 2.595 ( -7.160 5.892 2.712) 9.662 2.595 ( 7.161 5.892 2.712) 9.662 2.742 ( -5.229 -7.844 -0.283) 9.431 2.742 ( 5.229 -7.844 -0.283) 9.431 4.002 ( -3.318 20.580 3.120) 21.078 4.002 ( 3.318 20.579 3.120) 21.077 4.223 ( -3.372 -1.424 3.284) 4.918 4.223 ( 3.372 -1.424 3.284) 4.918 4.477 ( -3.909 6.210 -2.338) 7.701 4.477 ( 3.909 6.210 -2.338) 7.701 4.628 ( -1.470 -6.417 -3.995) 7.701 4.628 ( 1.470 -6.417 -3.995) 7.701 5.429 ( -6.679 2.468 0.579) 7.144 5.429 ( 6.679 2.468 0.579) 7.144 5.588 ( -4.909 -11.299 -2.039) 12.487 5.588 ( 4.909 -11.299 -2.039) 12.487 6.457 ( -1.906 6.544 -0.175) 6.818 6.457 ( 1.906 6.544 -0.175) 6.818 6.677 ( -4.159 -16.888 -0.426) 17.397 6.677 ( 4.159 -16.888 -0.426) 17.397 8.646 ( -6.432 4.964 4.994) 9.537 8.646 ( 6.432 4.964 4.994) 9.537 8.735 ( -6.553 -4.024 2.627) 8.126 8.735 ( 6.553 -4.024 2.627) 8.126 10.713 ( -2.481 8.713 0.572) 9.078 10.713 ( 2.481 8.713 0.572) 9.078 10.996 ( -1.482 -19.108 -0.141) 19.166 10.996 ( 1.482 -19.108 -0.141) 19.166 15.180 ( -0.410 15.449 -1.668) 15.545 15.180 ( 0.410 15.449 -1.668) 15.545 15.442 ( -1.319 -11.498 -0.146) 11.574 15.442 ( 1.319 -11.498 -0.146) 11.574 ======================= Grid point 364 (113/140) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 0.000 11.544) 11.544 1.310 ( 0.000 0.000 13.396) 13.396 1.373 ( 0.000 0.000 -7.859) 7.859 1.522 ( 0.000 0.000 -8.097) 8.097 1.828 ( 0.000 0.000 1.897) 1.897 1.874 ( 0.000 0.000 -2.651) 2.651 2.376 ( 0.000 0.000 1.327) 1.327 2.403 ( 0.000 0.000 -1.414) 1.414 2.970 ( 0.000 0.000 21.239) 21.239 3.362 ( 0.000 0.000 -18.482) 18.482 4.222 ( 0.000 0.000 2.066) 2.066 4.276 ( 0.000 0.000 -3.822) 3.822 4.306 ( 0.000 0.000 0.883) 0.883 4.352 ( 0.000 0.000 -3.941) 3.941 4.746 ( 0.000 0.000 7.403) 7.403 4.916 ( 0.000 0.000 -10.204) 10.204 5.174 ( 0.000 0.000 -2.586) 2.586 5.184 ( 0.000 0.000 -3.495) 3.495 6.243 ( 0.000 0.000 13.264) 13.264 6.358 ( 0.000 0.000 1.943) 1.943 7.175 ( 0.000 0.000 14.037) 14.037 7.324 ( 0.000 0.000 0.233) 0.233 7.813 ( 0.000 0.000 2.073) 2.073 7.981 ( 0.000 0.000 -11.680) 11.680 8.894 ( 0.000 0.000 4.585) 4.585 8.973 ( 0.000 0.000 -3.980) 3.980 9.756 ( 0.000 0.000 8.395) 8.395 9.882 ( 0.000 0.000 -4.774) 4.774 10.643 ( 0.000 0.000 1.552) 1.552 10.733 ( 0.000 0.000 -7.020) 7.020 13.226 ( 0.000 0.000 2.071) 2.071 13.274 ( 0.000 0.000 -3.024) 3.024 13.346 ( 0.000 0.000 4.591) 4.591 13.435 ( 0.000 0.000 -4.681) 4.681 15.246 ( 0.000 0.000 13.479) 13.479 15.501 ( 0.000 0.000 -13.162) 13.162 ======================= Grid point 365 (114/140) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 3.777 0.000 9.850) 10.549 1.292 ( 0.160 0.000 14.715) 14.715 1.387 ( 1.173 0.000 -6.555) 6.659 1.530 ( 0.345 0.000 -9.487) 9.493 1.912 ( 8.548 0.000 6.409) 10.684 2.038 ( 13.417 0.000 -6.333) 14.836 2.374 ( -0.123 0.000 1.152) 1.159 2.398 ( -0.422 0.000 -1.278) 1.346 2.921 ( -4.713 0.000 20.454) 20.990 3.296 ( -6.482 0.000 -17.530) 18.690 4.235 ( 1.216 0.000 2.541) 2.817 4.289 ( 0.872 0.000 -3.223) 3.338 4.350 ( 4.039 0.000 0.833) 4.124 4.394 ( 3.815 0.000 -3.764) 5.359 4.866 ( 10.747 0.000 7.018) 12.836 5.008 ( 7.830 0.000 -7.569) 10.890 5.135 ( -3.596 0.000 -2.431) 4.340 5.149 ( -3.308 0.000 -3.784) 5.026 6.085 ( -10.630 0.000 16.017) 19.224 6.294 ( -7.337 0.000 -4.939) 8.844 7.280 ( 9.811 0.000 16.393) 19.105 7.475 ( 11.205 0.000 -0.558) 11.218 7.878 ( 6.816 0.000 5.187) 8.565 8.113 ( 11.173 0.000 -15.639) 19.220 8.815 ( -6.956 0.000 5.855) 9.092 8.930 ( -3.970 0.000 -6.319) 7.462 9.764 ( 0.801 0.000 7.546) 7.588 9.873 ( -0.805 0.000 -3.855) 3.938 10.621 ( -2.344 0.000 0.226) 2.355 10.674 ( -5.436 0.000 -4.607) 7.125 13.228 ( 0.363 0.000 2.325) 2.354 13.277 ( 0.200 0.000 -2.791) 2.798 13.352 ( 0.595 0.000 3.930) 3.975 13.429 ( -0.540 0.000 -4.097) 4.133 15.233 ( -1.000 0.000 11.507) 11.550 15.458 ( -3.986 0.000 -11.888) 12.539 ======================= Grid point 366 (115/140) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 4.333 0.000 5.875) 7.300 1.354 ( 5.335 0.000 11.148) 12.359 1.407 ( 0.347 0.000 -3.192) 3.211 1.523 ( -1.321 0.000 -5.759) 5.909 2.157 ( 14.224 0.000 10.074) 17.430 2.355 ( 15.618 0.000 -10.450) 18.792 2.373 ( 0.022 0.000 0.624) 0.625 2.387 ( -0.584 0.000 -0.846) 1.028 2.784 ( -7.842 0.000 18.203) 19.820 3.099 ( -12.441 0.000 -14.129) 18.825 4.265 ( 1.494 0.000 2.452) 2.872 4.300 ( 0.061 0.000 -1.199) 1.200 4.456 ( 5.642 0.000 0.513) 5.666 4.489 ( 4.702 0.000 -2.919) 5.534 5.044 ( -4.589 0.000 -2.564) 5.256 5.060 ( -4.776 0.000 -4.188) 6.352 5.113 ( 10.892 0.000 5.216) 12.076 5.177 ( 7.209 0.000 -1.051) 7.285 5.911 ( -4.769 0.000 13.500) 14.318 6.106 ( -9.777 0.000 -5.873) 11.405 7.516 ( 11.807 0.000 15.780) 19.708 7.689 ( 7.945 0.000 2.640) 8.372 8.067 ( 9.953 0.000 4.047) 10.745 8.333 ( 6.344 0.000 -20.068) 21.047 8.669 ( -4.320 0.000 7.519) 8.672 8.831 ( -5.054 0.000 -9.948) 11.158 9.787 ( 1.388 0.000 5.204) 5.386 9.850 ( -1.392 0.000 -1.373) 1.955 10.542 ( -6.082 0.000 -1.050) 6.172 10.546 ( -4.510 0.000 -1.748) 4.837 13.243 ( 1.046 0.000 2.071) 2.320 13.278 ( -0.224 0.000 -1.551) 1.567 13.369 ( 1.011 0.000 2.156) 2.381 13.414 ( -0.955 0.000 -2.477) 2.654 15.222 ( 0.340 0.000 6.033) 6.042 15.355 ( -5.425 0.000 -7.726) 9.441 ======================= Grid point 367 (116/140) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -2.177 0.000 1.224) 2.497 1.389 ( 2.177 0.000 1.224) 2.497 1.464 ( -4.445 0.000 2.481) 5.091 1.464 ( 4.445 0.000 2.481) 5.091 2.377 ( -0.378 0.000 -0.140) 0.403 2.377 ( 0.378 0.000 -0.140) 0.403 2.440 ( -10.792 0.000 7.566) 13.180 2.440 ( 10.792 0.000 7.566) 13.180 2.811 ( -13.542 0.000 -5.488) 14.611 2.811 ( 13.542 0.000 -5.488) 14.611 4.291 ( -0.898 0.000 1.011) 1.352 4.291 ( 0.898 0.000 1.011) 1.352 4.538 ( -1.057 0.000 -0.851) 1.357 4.538 ( 1.057 0.000 -0.851) 1.357 4.992 ( -0.632 0.000 -3.730) 3.783 4.992 ( 0.632 0.000 -3.730) 3.783 5.246 ( -1.567 0.000 4.040) 4.333 5.246 ( 1.567 0.000 4.040) 4.333 5.929 ( -6.162 0.000 2.447) 6.630 5.929 ( 6.162 0.000 2.447) 6.630 7.717 ( -5.905 0.000 13.056) 14.329 7.717 ( 5.905 0.000 13.056) 14.329 8.267 ( -9.290 0.000 -9.043) 12.965 8.267 ( 9.290 0.000 -9.043) 12.965 8.722 ( -5.959 0.000 -5.171) 7.890 8.722 ( 5.959 0.000 -5.171) 7.890 9.819 ( -1.604 0.000 1.950) 2.525 9.819 ( 1.604 0.000 1.950) 2.525 10.479 ( -0.633 0.000 -1.272) 1.421 10.479 ( 0.633 0.000 -1.272) 1.421 13.266 ( -0.945 0.000 0.512) 1.074 13.266 ( 0.945 0.000 0.512) 1.074 13.392 ( -1.135 0.000 -0.199) 1.152 13.392 ( 1.135 0.000 -0.199) 1.152 15.260 ( -3.428 0.000 -1.154) 3.617 15.260 ( 3.428 0.000 -1.154) 3.617 ======================= Grid point 371 (117/140) ======================= q-point: ( 0.00 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.000 10.481 9.673) 14.263 1.311 ( 0.000 1.090 9.584) 9.645 1.495 ( 0.000 -1.512 -3.002) 3.361 1.513 ( 0.000 12.057 -5.652) 13.316 1.819 ( 0.000 0.594 1.261) 1.394 1.858 ( 0.000 0.464 -2.726) 2.765 2.538 ( 0.000 12.109 -0.053) 12.109 2.552 ( 0.000 15.277 -1.524) 15.352 2.997 ( 0.000 2.950 20.792) 21.000 3.377 ( 0.000 1.670 -17.906) 17.983 4.204 ( 0.000 -1.888 0.404) 1.931 4.223 ( 0.000 -4.170 -2.616) 4.923 4.367 ( 0.000 5.474 0.570) 5.503 4.402 ( 0.000 3.990 -2.452) 4.683 4.768 ( 0.000 1.223 7.029) 7.134 4.936 ( 0.000 0.914 -10.321) 10.362 5.234 ( 0.000 5.865 -2.565) 6.401 5.240 ( 0.000 6.019 -3.151) 6.794 6.172 ( 0.000 -8.039 13.552) 15.757 6.322 ( 0.000 -5.106 -1.428) 5.302 7.182 ( 0.000 0.202 15.085) 15.086 7.349 ( 0.000 1.542 4.135) 4.413 7.548 ( 0.000 -23.138 3.362) 23.381 7.808 ( 0.000 -16.038 -15.995) 22.651 8.816 ( 0.000 -6.778 3.439) 7.600 8.867 ( 0.000 -9.456 -2.014) 9.668 9.450 ( 0.000 -17.066 6.989) 18.442 9.533 ( 0.000 -18.714 -1.523) 18.776 11.203 ( 0.000 40.565 4.190) 40.781 11.364 ( 0.000 42.825 -12.397) 44.583 13.067 ( 0.000 -23.724 5.484) 24.350 13.181 ( 0.000 -11.523 -5.018) 12.568 13.219 ( 0.000 -12.242 0.181) 12.244 13.263 ( 0.000 -3.079 -2.991) 4.293 15.358 ( 0.000 9.794 11.868) 15.387 15.577 ( 0.000 6.703 -10.986) 12.870 ======================= Grid point 372 (118/140) ======================= q-point: ( 0.17 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -0.089 1.354 13.028) 13.099 1.354 ( 3.363 10.036 8.148) 13.357 1.492 ( -0.631 0.530 -4.974) 5.041 1.516 ( 0.700 8.715 -6.824) 11.091 1.898 ( 8.161 -0.437 5.951) 10.110 2.011 ( 12.295 -0.047 -5.836) 13.610 2.539 ( -0.051 12.442 0.493) 12.452 2.565 ( 1.182 15.866 -2.206) 16.062 2.947 ( -4.697 2.978 20.073) 20.830 3.309 ( -6.478 1.619 -16.832) 18.108 4.204 ( 0.417 -2.744 0.710) 2.865 4.231 ( 0.792 -4.347 -2.640) 5.147 4.406 ( 3.129 4.279 0.565) 5.331 4.435 ( 2.599 3.092 -2.077) 4.542 4.842 ( 5.512 -2.245 5.631) 8.193 4.962 ( 1.178 -3.203 -6.878) 7.678 5.247 ( 2.156 9.433 -1.885) 9.858 5.264 ( 2.921 10.077 -3.359) 11.016 6.052 ( -8.663 -4.210 14.526) 17.429 6.247 ( -6.852 -5.614 -5.068) 10.205 7.282 ( 8.544 -0.969 17.015) 19.064 7.488 ( 10.660 0.993 2.453) 10.983 7.614 ( 6.632 -24.485 4.924) 25.841 7.912 ( 9.017 -18.117 -18.394) 27.347 8.733 ( -6.722 -6.692 5.111) 10.774 8.820 ( -4.065 -9.318 -4.022) 10.933 9.462 ( 0.530 -16.774 5.450) 17.645 9.516 ( -1.816 -18.604 -0.120) 18.693 11.195 ( -0.816 41.499 2.992) 41.615 11.326 ( -3.523 44.127 -10.410) 45.475 13.060 ( -0.516 -24.867 4.912) 25.353 13.163 ( -1.926 -20.639 -5.672) 21.491 13.207 ( -0.239 -3.756 3.100) 4.876 13.274 ( 0.455 -4.280 -3.991) 5.869 15.355 ( -0.181 10.512 9.992) 14.504 15.546 ( -2.825 7.714 -9.949) 12.903 ======================= Grid point 373 (119/140) ======================= q-point: ( 0.33 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 4.226 -0.509 10.521) 11.349 1.433 ( 3.835 9.682 5.038) 11.569 1.474 ( -1.344 -1.010 -2.906) 3.357 1.524 ( -0.237 8.581 -4.524) 9.704 2.134 ( 13.829 -0.958 9.320) 16.704 2.295 ( 13.834 -0.279 -7.410) 15.696 2.526 ( -1.600 11.378 2.181) 11.695 2.589 ( 0.234 13.634 -4.379) 14.322 2.825 ( -5.374 5.673 16.651) 18.393 3.120 ( -11.460 2.718 -13.426) 17.860 4.224 ( 1.276 -3.740 1.154) 4.117 4.248 ( 0.581 -4.415 -1.540) 4.712 4.473 ( 2.978 0.936 0.039) 3.122 4.490 ( 2.376 -0.288 -1.620) 2.890 4.908 ( 0.567 -6.684 1.364) 6.845 4.951 ( -1.806 -6.093 -3.388) 7.202 5.347 ( 5.664 14.724 0.211) 15.778 5.356 ( 5.508 12.913 -0.220) 14.041 5.910 ( -3.714 -0.621 12.395) 12.954 6.086 ( -8.055 -2.378 -5.248) 9.904 7.476 ( 9.788 -7.246 17.551) 21.363 7.696 ( 6.855 -0.984 9.560) 11.805 7.789 ( 9.572 -24.668 -3.614) 26.705 8.078 ( 3.690 -21.063 -19.620) 29.020 8.625 ( -1.436 -3.556 5.278) 6.525 8.736 ( -3.208 -7.646 -6.538) 10.560 9.447 ( -2.222 -18.781 3.359) 19.208 9.459 ( -3.137 -18.970 1.940) 19.325 11.173 ( -1.020 44.166 0.275) 44.178 11.238 ( -4.366 46.484 -6.294) 47.111 13.055 ( 0.222 -27.138 3.534) 27.368 13.115 ( -2.380 -26.360 -1.923) 26.537 13.216 ( 1.091 -1.945 1.433) 2.651 13.271 ( -0.769 -3.754 -3.521) 5.204 15.360 ( 0.911 11.690 5.085) 12.780 15.472 ( -3.996 9.961 -6.502) 12.549 ======================= Grid point 374 (120/140) ======================= q-point: (-0.50 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -3.736 -1.850 3.126) 5.211 1.422 ( 3.736 -1.850 3.126) 5.211 1.499 ( -2.276 9.094 0.500) 9.387 1.499 ( 2.276 9.094 0.500) 9.387 2.412 ( -11.077 1.742 7.504) 13.493 2.412 ( 11.077 1.742 7.504) 13.493 2.511 ( -6.584 6.641 -1.541) 9.477 2.511 ( 6.584 6.641 -1.541) 9.477 2.876 ( -10.277 7.823 -4.227) 13.589 2.876 ( 10.277 7.823 -4.227) 13.589 4.247 ( -0.725 -4.156 0.313) 4.231 4.247 ( 0.725 -4.156 0.313) 4.231 4.513 ( -0.486 -2.288 -0.950) 2.525 4.513 ( 0.486 -2.288 -0.950) 2.525 4.915 ( -1.066 -5.467 -1.478) 5.762 4.915 ( 1.066 -5.467 -1.478) 5.762 5.418 ( -0.874 13.419 2.147) 13.617 5.418 ( 0.874 13.419 2.147) 13.617 5.935 ( -5.673 0.504 2.534) 6.234 5.935 ( 5.673 0.504 2.534) 6.234 7.668 ( -7.638 -10.269 18.037) 22.116 7.668 ( 7.638 -10.269 18.037) 22.116 8.006 ( -9.236 -18.941 -15.409) 26.105 8.006 ( 9.236 -18.941 -15.409) 26.105 8.676 ( -3.728 -4.014 -2.365) 5.967 8.676 ( 3.728 -4.014 -2.365) 5.967 9.415 ( -0.531 -20.495 2.514) 20.656 9.415 ( 0.531 -20.495 2.514) 20.656 11.173 ( -1.519 46.728 -2.706) 46.831 11.173 ( 1.519 46.728 -2.706) 46.831 13.073 ( -1.548 -28.122 1.345) 28.196 13.073 ( 1.548 -28.122 1.345) 28.196 13.246 ( -1.537 -2.811 -1.332) 3.470 13.246 ( 1.537 -2.811 -1.332) 3.470 15.398 ( -2.865 11.675 -1.022) 12.065 15.398 ( 2.865 11.675 -1.022) 12.065 ======================= Grid point 378 (121/140) ======================= q-point: ( 0.00 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.000 3.258 6.006) 6.833 1.422 ( 0.000 1.284 -1.085) 1.681 1.604 ( 0.000 11.335 10.440) 15.410 1.731 ( 0.000 7.263 -2.508) 7.684 1.937 ( 0.000 7.940 -1.588) 8.097 1.943 ( 0.000 13.928 -2.222) 14.105 2.805 ( 0.000 13.707 2.078) 13.863 2.875 ( 0.000 15.313 -4.679) 16.012 3.115 ( 0.000 10.857 17.841) 20.885 3.441 ( 0.000 5.451 -15.351) 16.291 4.123 ( 0.000 -6.394 -0.453) 6.410 4.139 ( 0.000 -5.155 -0.911) 5.235 4.490 ( 0.000 4.371 -0.542) 4.405 4.492 ( 0.000 6.396 -1.139) 6.496 4.768 ( 0.000 -1.017 7.113) 7.185 4.926 ( 0.000 -1.645 -9.366) 9.510 5.356 ( 0.000 4.294 -0.611) 4.338 5.390 ( 0.000 7.249 -4.515) 8.540 5.901 ( 0.000 -18.714 10.649) 21.531 6.060 ( 0.000 -22.789 -5.563) 23.459 7.061 ( 0.000 -17.324 17.951) 24.947 7.135 ( 0.000 -6.581 11.361) 13.130 7.461 ( 0.000 5.741 -6.257) 8.492 7.515 ( 0.000 -9.203 -13.306) 16.178 8.674 ( 0.000 -7.330 2.343) 7.695 8.692 ( 0.000 -7.080 0.970) 7.146 9.197 ( 0.000 -10.508 5.900) 12.051 9.263 ( 0.000 -10.671 -0.670) 10.692 11.870 ( 0.000 19.730 1.551) 19.791 11.945 ( 0.000 7.799 -5.821) 9.732 12.498 ( 0.000 -29.862 8.380) 31.015 12.688 ( 0.000 -26.067 -10.497) 28.101 13.271 ( 0.000 7.378 -2.130) 7.679 13.282 ( 0.000 14.605 -4.899) 15.404 15.560 ( 0.000 9.531 9.200) 13.247 15.717 ( 0.000 6.626 -7.300) 9.858 ======================= Grid point 379 (122/140) ======================= q-point: ( 0.17 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -0.321 4.337 8.262) 9.337 1.453 ( 1.384 0.875 -3.801) 4.139 1.624 ( 1.824 12.908 9.562) 16.167 1.761 ( 1.342 11.895 -4.654) 12.843 1.930 ( 4.818 4.600 7.378) 9.941 2.083 ( 9.611 7.884 -8.146) 14.862 2.800 ( -1.153 12.352 3.248) 12.823 2.876 ( -0.754 12.999 -3.517) 13.488 3.088 ( -1.831 13.757 14.843) 20.321 3.379 ( -5.600 6.239 -13.929) 16.258 4.116 ( -0.345 -6.896 -0.486) 6.921 4.132 ( -0.401 -6.383 -1.400) 6.547 4.484 ( -0.319 2.734 0.254) 2.764 4.502 ( 0.013 3.648 -1.637) 3.999 4.786 ( 0.999 -2.939 5.072) 5.946 4.898 ( -2.524 -3.119 -6.781) 7.879 5.435 ( 7.577 7.097 0.196) 10.384 5.464 ( 6.277 8.652 -2.772) 11.043 5.881 ( -1.653 -12.916 9.114) 15.894 6.018 ( -2.601 -18.601 -4.552) 19.326 7.065 ( 0.180 -20.375 16.013) 25.915 7.182 ( 2.849 -15.007 4.660) 15.970 7.533 ( 8.385 2.376 -0.433) 8.726 7.640 ( 9.681 -4.719 -12.068) 16.175 8.606 ( -4.801 -5.954 3.632) 8.467 8.650 ( -3.592 -7.222 -0.787) 8.104 9.206 ( -0.066 -10.868 4.745) 11.859 9.252 ( -1.401 -10.189 0.093) 10.285 11.885 ( 1.413 21.287 0.914) 21.353 11.948 ( 0.282 10.055 -5.203) 11.324 12.463 ( -3.123 -31.640 7.360) 32.634 12.629 ( -5.400 -26.756 -9.267) 28.825 13.269 ( -0.537 11.360 -2.974) 11.755 13.275 ( -0.011 9.215 -2.718) 9.608 15.566 ( 0.674 9.796 7.574) 12.401 15.703 ( -1.315 7.199 -6.662) 9.896 ======================= Grid point 380 (123/140) ======================= q-point: ( 0.33 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 2.532 4.139 6.782) 8.339 1.456 ( -0.919 1.465 -3.024) 3.483 1.671 ( 2.468 12.933 6.374) 14.628 1.755 ( -1.346 12.643 -2.079) 12.883 2.141 ( 14.046 1.726 9.671) 17.141 2.331 ( 13.936 3.788 -10.001) 17.566 2.705 ( -8.953 5.935 7.785) 13.266 2.812 ( -5.790 9.080 -2.789) 11.124 3.084 ( 1.584 19.173 5.409) 19.984 3.243 ( -6.554 10.793 -9.228) 15.640 4.115 ( 0.172 -8.375 -0.441) 8.388 4.127 ( -0.185 -9.027 -1.488) 9.151 4.471 ( -0.711 -1.188 0.051) 1.385 4.487 ( -1.223 0.122 -1.585) 2.005 4.794 ( 0.014 -4.982 1.727) 5.273 4.842 ( -2.493 -4.974 -3.469) 6.557 5.591 ( 5.113 9.808 1.994) 11.239 5.617 ( 7.425 10.954 -0.859) 13.261 5.860 ( 0.929 -4.934 9.186) 10.468 5.991 ( -0.691 -7.719 -3.983) 8.713 7.077 ( 1.632 -27.287 12.722) 30.151 7.206 ( -1.033 -28.252 0.263) 28.272 7.747 ( 10.072 2.695 1.999) 10.616 7.836 ( 7.385 -3.593 -7.675) 11.241 8.547 ( 0.101 -4.120 2.176) 4.660 8.590 ( -1.309 -6.878 -2.091) 7.307 9.164 ( -3.643 -11.361 3.767) 12.512 9.194 ( -4.138 -10.042 0.630) 10.879 11.921 ( 1.824 25.757 -0.578) 25.828 11.955 ( 0.216 17.561 -3.722) 17.953 12.395 ( -2.556 -36.736 4.332) 37.079 12.495 ( -6.744 -31.287 -5.699) 32.509 13.261 ( -0.010 10.720 -1.330) 10.803 13.275 ( -0.170 7.653 -2.208) 7.967 15.587 ( 1.361 10.121 3.683) 10.856 15.666 ( -2.123 8.560 -4.453) 9.880 ======================= Grid point 381 (124/140) ======================= q-point: (-0.50 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -2.612 2.647 1.562) 4.034 1.419 ( 2.612 2.647 1.562) 4.034 1.719 ( -2.083 11.894 2.052) 12.248 1.719 ( 2.083 11.894 2.052) 12.248 2.447 ( -14.396 1.970 9.016) 17.100 2.447 ( 14.396 1.970 9.016) 17.100 2.621 ( -12.285 4.851 -6.819) 14.864 2.621 ( 12.285 4.851 -6.819) 14.864 3.138 ( -3.661 17.701 -1.601) 18.146 3.138 ( 3.661 17.701 -1.601) 18.146 4.121 ( -0.363 -9.872 -0.817) 9.912 4.121 ( 0.363 -9.872 -0.817) 9.912 4.467 ( -0.441 -1.949 -0.991) 2.231 4.467 ( 0.441 -1.949 -0.991) 2.231 4.803 ( -1.154 -5.682 -0.866) 5.863 4.803 ( 1.154 -5.682 -0.866) 5.863 5.663 ( -1.727 9.842 1.923) 10.176 5.663 ( 1.727 9.842 1.923) 10.176 5.940 ( -4.652 -0.178 2.410) 5.242 5.940 ( 4.652 -0.178 2.410) 5.242 7.143 ( -4.211 -32.868 6.090) 33.691 7.143 ( 4.211 -32.868 6.090) 33.691 7.886 ( -2.687 0.479 -2.321) 3.583 7.886 ( 2.687 0.479 -2.321) 3.583 8.581 ( -1.226 -5.409 -1.065) 5.648 8.581 ( 1.226 -5.409 -1.065) 5.648 9.121 ( -1.152 -11.038 2.117) 11.298 9.121 ( 1.152 -11.038 2.117) 11.298 11.950 ( -0.819 26.447 -2.122) 26.545 11.950 ( 0.819 26.447 -2.122) 26.545 12.391 ( -2.598 -38.280 -0.548) 38.372 12.391 ( 2.598 -38.280 -0.548) 38.372 13.268 ( -0.491 8.777 -1.342) 8.893 13.268 ( 0.491 8.777 -1.342) 8.893 15.622 ( -1.999 9.763 -0.741) 9.993 15.622 ( 1.999 9.763 -0.741) 9.993 ======================= Grid point 385 (125/140) ======================= q-point: ( 0.00 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.000 5.884 3.349) 6.771 1.484 ( 0.000 5.661 -0.869) 5.728 1.785 ( 0.000 7.248 6.465) 9.712 1.843 ( 0.000 5.554 -0.309) 5.562 2.145 ( 0.000 11.506 3.720) 12.092 2.257 ( 0.000 15.191 -5.957) 16.317 3.043 ( 0.000 11.017 4.301) 11.826 3.116 ( 0.000 11.018 -0.007) 11.018 3.436 ( 0.000 19.483 5.800) 20.328 3.594 ( 0.000 8.600 -7.899) 11.677 3.942 ( 0.000 -12.257 0.670) 12.275 3.979 ( 0.000 -11.828 -2.057) 12.006 4.520 ( 0.000 -1.905 1.365) 2.344 4.553 ( 0.000 -2.025 -2.118) 2.930 4.784 ( 0.000 4.041 6.338) 7.517 4.914 ( 0.000 2.135 -7.625) 7.918 5.276 ( 0.000 -12.480 3.435) 12.944 5.373 ( 0.000 -13.498 -6.327) 14.907 5.626 ( 0.000 -6.011 2.354) 6.455 5.671 ( 0.000 -7.182 -2.327) 7.550 6.842 ( 0.000 -7.729 11.661) 13.990 6.958 ( 0.000 -9.859 0.898) 9.900 7.444 ( 0.000 -1.032 3.073) 3.242 7.579 ( 0.000 5.160 -9.020) 10.392 8.535 ( 0.000 -6.675 4.795) 8.219 8.596 ( 0.000 -3.298 -0.945) 3.431 9.002 ( 0.000 -9.472 6.122) 11.278 9.071 ( 0.000 -9.405 -0.716) 9.432 11.651 ( 0.000 -28.209 0.670) 28.217 11.661 ( 0.000 -30.196 -0.265) 30.197 12.163 ( 0.000 -11.286 3.845) 11.923 12.267 ( 0.000 -19.710 -6.138) 20.643 13.641 ( 0.000 27.964 1.421) 28.000 13.757 ( 0.000 29.176 -11.658) 31.419 15.700 ( 0.000 4.404 6.929) 8.210 15.808 ( 0.000 2.321 -4.541) 5.100 ======================= Grid point 386 (126/140) ======================= q-point: ( 0.17 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 1.721 8.562 3.715) 9.491 1.514 ( 2.215 5.722 -1.632) 6.349 1.830 ( 3.697 7.822 7.330) 11.340 1.921 ( 7.140 5.752 -1.351) 9.267 2.100 ( -2.769 11.006 7.710) 13.720 2.298 ( 3.756 12.085 -10.303) 16.319 2.997 ( -5.230 9.113 6.241) 12.221 3.084 ( -3.254 9.809 -0.942) 10.377 3.447 ( 1.147 20.007 3.297) 20.310 3.555 ( -2.999 9.715 -5.805) 11.708 3.902 ( -3.393 -14.857 0.190) 15.240 3.939 ( -3.427 -13.890 -2.587) 14.539 4.486 ( -2.608 -2.152 1.696) 3.783 4.532 ( -2.058 -1.429 -3.051) 3.948 4.776 ( -1.302 2.596 4.262) 5.158 4.869 ( -3.978 1.048 -5.739) 7.061 5.367 ( 9.376 -13.113 6.252) 17.290 5.488 ( 10.101 -11.591 -5.897) 16.467 5.694 ( 5.122 -4.318 1.546) 6.875 5.722 ( 4.868 -1.854 -1.728) 5.488 6.791 ( -4.484 -9.048 10.838) 14.813 6.911 ( -4.767 -11.802 -1.166) 12.781 7.534 ( 8.154 -2.580 4.596) 9.709 7.657 ( 6.648 2.299 -7.537) 10.309 8.495 ( -2.737 -5.304 4.472) 7.458 8.554 ( -3.202 -2.543 -1.219) 4.267 9.008 ( -0.241 -9.388 5.706) 10.988 9.074 ( -0.345 -8.510 -0.832) 8.557 11.641 ( -0.912 -30.153 0.947) 30.181 11.654 ( -0.652 -31.568 -0.238) 31.575 12.146 ( -1.426 -9.964 3.194) 10.560 12.242 ( -2.328 -17.529 -5.958) 18.660 13.644 ( 0.365 28.206 0.810) 28.220 13.738 ( -1.598 29.584 -9.732) 31.185 15.707 ( 0.679 4.227 5.672) 7.107 15.801 ( -0.750 2.415 -4.128) 4.841 ======================= Grid point 387 (127/140) ======================= q-point: ( 0.33 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 2.129 10.318 2.962) 10.944 1.547 ( 0.667 7.736 -1.492) 7.906 1.896 ( 2.130 9.343 6.790) 11.745 1.983 ( -2.499 10.407 -1.038) 10.753 2.198 ( 13.150 3.964 9.765) 16.853 2.433 ( 9.344 5.952 -13.163) 17.204 2.824 ( -10.715 7.585 9.264) 16.068 2.961 ( -8.965 7.279 -4.649) 12.448 3.477 ( 1.477 19.722 0.564) 19.785 3.511 ( -0.955 13.820 -2.157) 14.020 3.831 ( -2.744 -20.168 -0.524) 20.360 3.862 ( -3.553 -18.086 -3.144) 18.698 4.444 ( -1.007 -1.064 1.101) 1.833 4.482 ( -2.291 -0.414 -2.923) 3.737 4.733 ( -2.165 -1.147 1.427) 2.835 4.777 ( -4.308 -1.377 -3.185) 5.532 5.617 ( 12.041 -8.309 7.027) 16.229 5.706 ( 8.328 -5.030 -2.050) 9.943 5.786 ( 4.895 0.677 4.118) 6.433 5.862 ( 7.480 -1.484 -3.680) 8.467 6.677 ( -5.722 -12.909 8.286) 16.372 6.771 ( -8.177 -15.527 -1.474) 17.610 7.727 ( 9.011 -6.720 4.249) 12.017 7.800 ( 5.866 -2.848 -3.457) 7.380 8.469 ( 0.643 -3.351 2.430) 4.189 8.507 ( -0.751 -0.467 -1.378) 1.638 8.972 ( -2.829 -8.453 4.970) 10.205 9.032 ( -3.879 -6.988 -1.121) 8.071 11.623 ( -0.533 -33.997 1.479) 34.033 11.638 ( -0.804 -34.700 0.108) 34.710 12.118 ( -0.875 -7.458 0.950) 7.569 12.180 ( -3.307 -12.309 -4.920) 13.662 13.656 ( 0.738 28.837 -0.626) 28.853 13.703 ( -1.638 29.968 -5.852) 30.578 15.726 ( 1.129 3.813 2.777) 4.851 15.779 ( -1.251 2.761 -2.735) 4.083 ======================= Grid point 388 (128/140) ======================= q-point: (-0.50 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -1.215 9.637 0.610) 9.733 1.540 ( 1.215 9.637 0.610) 9.733 1.931 ( -1.956 9.520 3.202) 10.232 1.931 ( 1.956 9.520 3.202) 10.232 2.483 ( -11.550 1.676 3.489) 12.181 2.483 ( 11.550 1.676 3.489) 12.181 2.745 ( -9.444 8.524 -3.842) 13.289 2.745 ( 9.444 8.524 -3.842) 13.289 3.500 ( -0.642 17.794 -0.442) 17.812 3.500 ( 0.642 17.795 -0.442) 17.812 3.812 ( -0.967 -21.375 -2.110) 21.501 3.812 ( 0.967 -21.375 -2.110) 21.501 4.447 ( -1.096 -0.055 -0.909) 1.425 4.447 ( 1.096 -0.055 -0.909) 1.425 4.717 ( -1.080 -2.871 -0.919) 3.202 4.717 ( 1.080 -2.871 -0.919) 3.202 5.756 ( -1.945 -0.517 2.887) 3.519 5.756 ( 1.945 -0.517 2.887) 3.519 5.926 ( -3.859 -1.376 1.501) 4.363 5.926 ( 3.859 -1.376 1.501) 4.363 6.632 ( -3.146 -17.659 2.454) 18.104 6.632 ( 3.146 -17.659 2.454) 18.104 7.848 ( -1.907 -6.922 1.247) 7.288 7.848 ( 1.907 -6.922 1.247) 7.288 8.500 ( -1.196 -1.450 -0.051) 1.880 8.500 ( 1.196 -1.450 -0.051) 1.880 8.951 ( -2.160 -6.682 1.428) 7.166 8.951 ( 2.160 -6.682 1.428) 7.166 11.623 ( -0.501 -36.196 1.104) 36.216 11.623 ( 0.501 -36.196 1.104) 36.216 12.125 ( -1.674 -7.750 -2.371) 8.276 12.125 ( 1.674 -7.750 -2.371) 8.276 13.675 ( -1.102 29.589 -2.674) 29.730 13.675 ( 1.102 29.589 -2.674) 29.730 15.752 ( -1.343 3.293 -0.312) 3.570 15.752 ( 1.343 3.293 -0.312) 3.570 ======================= Grid point 392 (129/140) ======================= q-point: ( 0.00 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 0.000 9.336 2.797) 9.746 1.645 ( 0.000 10.462 -2.819) 10.835 1.918 ( 0.000 7.083 4.623) 8.458 1.962 ( 0.000 6.568 -0.294) 6.574 2.328 ( 0.000 6.609 5.544) 8.626 2.470 ( 0.000 5.920 -7.790) 9.785 3.244 ( 0.000 3.975 3.329) 5.185 3.278 ( 0.000 -0.554 0.941) 1.092 3.499 ( 0.000 -9.888 9.731) 13.873 3.694 ( 0.000 -1.327 -9.252) 9.347 3.853 ( 0.000 14.251 3.734) 14.732 3.941 ( 0.000 12.211 -4.401) 12.980 4.469 ( 0.000 -3.407 1.611) 3.769 4.488 ( 0.000 0.154 0.147) 0.213 4.882 ( 0.000 3.762 5.282) 6.485 4.986 ( 0.000 2.176 -5.719) 6.119 5.078 ( 0.000 -5.427 1.087) 5.535 5.126 ( 0.000 -7.185 -3.130) 7.837 5.537 ( 0.000 -5.049 2.215) 5.514 5.617 ( 0.000 -2.720 -6.064) 6.646 6.691 ( 0.000 -8.416 6.140) 10.417 6.758 ( 0.000 -10.918 -0.867) 10.952 7.411 ( 0.000 -2.769 8.845) 9.268 7.612 ( 0.000 -2.696 -11.973) 12.273 8.428 ( 0.000 -4.230 7.070) 8.238 8.516 ( 0.000 -6.581 -2.206) 6.941 8.861 ( 0.000 -3.427 4.244) 5.455 8.900 ( 0.000 -7.238 0.271) 7.243 11.105 ( 0.000 -24.036 0.791) 24.049 11.113 ( 0.000 -23.911 0.077) 23.911 11.849 ( 0.000 -19.634 -0.589) 19.642 11.854 ( 0.000 -22.293 -0.992) 22.315 14.219 ( 0.000 29.011 1.035) 29.029 14.307 ( 0.000 26.160 -8.637) 27.549 15.724 ( 0.000 -1.988 5.042) 5.420 15.798 ( 0.000 -3.427 -2.871) 4.471 ======================= Grid point 393 (130/140) ======================= q-point: ( 0.17 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 5.055 10.536 1.883) 11.837 1.687 ( 3.318 11.929 -1.476) 12.470 1.959 ( 3.708 6.226 5.603) 9.160 2.031 ( 6.848 5.761 -1.241) 9.035 2.283 ( -3.656 6.828 7.486) 10.772 2.478 ( 0.859 5.220 -10.868) 12.087 3.168 ( -6.846 3.172 5.394) 9.275 3.232 ( -4.671 -1.039 -1.087) 4.907 3.453 ( -3.594 -8.947 8.566) 12.897 3.625 ( -6.141 -5.105 -8.167) 11.423 3.844 ( -0.558 16.401 1.510) 16.480 3.903 ( -3.133 12.130 -3.541) 13.019 4.452 ( -0.927 -0.796 2.591) 2.864 4.501 ( 0.225 0.146 -2.121) 2.138 4.840 ( -5.918 1.789 2.737) 6.762 4.897 ( -5.940 -0.689 -2.889) 6.641 5.161 ( 9.742 -5.314 5.119) 12.220 5.274 ( 13.506 -5.855 -5.475) 15.706 5.656 ( 8.384 -3.587 0.526) 9.135 5.690 ( 6.064 -2.902 -3.182) 7.437 6.638 ( -4.825 -7.732 5.731) 10.766 6.699 ( -5.470 -10.659 -0.847) 12.011 7.432 ( 1.923 -7.704 8.820) 11.867 7.618 ( 0.278 -7.470 -10.514) 12.901 8.429 ( 0.653 -1.174 6.631) 6.766 8.519 ( 0.750 -2.344 -2.845) 3.762 8.862 ( -0.336 -4.448 5.216) 6.864 8.922 ( 1.256 -6.495 -0.794) 6.662 11.079 ( -2.250 -24.279 1.077) 24.407 11.092 ( -1.882 -23.834 -0.212) 23.909 11.839 ( -0.660 -20.089 -0.051) 20.100 11.854 ( -0.245 -21.458 -1.609) 21.519 14.227 ( 0.702 29.107 0.601) 29.121 14.301 ( -0.579 26.786 -7.503) 27.823 15.726 ( 0.277 -2.214 4.222) 4.776 15.791 ( -0.688 -3.421 -2.572) 4.335 ======================= Grid point 394 (131/140) ======================= q-point: ( 0.33 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 2.991 12.433 0.809) 12.814 1.750 ( 2.333 13.403 0.267) 13.608 2.039 ( 2.986 5.840 6.522) 9.250 2.149 ( -1.665 6.179 -3.243) 7.174 2.287 ( 9.936 4.951 9.372) 14.529 2.525 ( 3.785 2.583 -13.697) 14.443 2.994 ( -8.769 5.571 7.836) 13.013 3.093 ( -8.407 1.484 -2.779) 8.978 3.385 ( -2.155 -11.248 4.275) 12.224 3.488 ( -6.145 -9.949 -6.072) 13.177 3.830 ( -0.851 15.032 -0.765) 15.076 3.849 ( -1.515 13.742 -2.430) 14.038 4.444 ( 0.329 1.059 2.139) 2.409 4.490 ( -1.057 1.653 -2.491) 3.171 4.713 ( -5.054 -2.110 1.415) 5.656 4.759 ( -6.314 -1.589 -3.291) 7.296 5.458 ( 15.941 -5.877 7.899) 18.736 5.573 ( 12.789 -5.354 -3.547) 14.311 5.787 ( 4.680 -2.084 2.000) 5.499 5.831 ( 6.097 -3.573 -2.542) 7.510 6.507 ( -7.289 -6.235 4.267) 10.499 6.552 ( -8.001 -8.418 -0.567) 11.628 7.492 ( 3.852 -16.657 6.586) 18.321 7.613 ( -0.962 -16.511 -5.955) 17.579 8.469 ( 3.168 2.956 5.408) 6.929 8.551 ( 1.711 4.022 -3.190) 5.411 8.839 ( -1.399 -4.913 5.766) 7.704 8.917 ( -2.111 -4.645 -2.142) 5.533 11.032 ( -1.772 -24.398 1.214) 24.492 11.048 ( -2.097 -24.060 -0.289) 24.153 11.828 ( -0.287 -19.779 -0.162) 19.782 11.843 ( -0.735 -20.769 -1.703) 20.852 14.246 ( 1.060 29.200 -0.589) 29.225 14.286 ( -0.828 28.028 -4.961) 28.476 15.736 ( 0.634 -2.686 2.255) 3.564 15.773 ( -1.005 -3.336 -1.596) 3.832 ======================= Grid point 395 (132/140) ======================= q-point: (-0.50 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -0.095 13.315 0.858) 13.343 1.774 ( 0.095 13.315 0.858) 13.343 2.087 ( -2.593 6.336 2.966) 7.461 2.087 ( 2.593 6.336 2.966) 7.461 2.516 ( -8.025 1.743 -2.099) 8.476 2.516 ( 8.025 1.743 -2.099) 8.476 2.928 ( -4.951 6.401 0.623) 8.116 2.928 ( 4.951 6.401 0.623) 8.116 3.392 ( -2.871 -12.610 -1.521) 13.022 3.392 ( 2.871 -12.610 -1.521) 13.022 3.828 ( -0.680 14.152 -1.774) 14.279 3.828 ( 0.680 14.152 -1.774) 14.279 4.464 ( -1.378 1.708 0.230) 2.207 4.464 ( 1.378 1.708 0.230) 2.207 4.672 ( -1.481 -2.556 -1.506) 3.316 4.672 ( 1.481 -2.556 -1.506) 3.316 5.682 ( -3.376 -5.681 3.428) 7.445 5.682 ( 3.376 -5.681 3.428) 7.445 5.878 ( -2.933 -3.742 0.592) 4.791 5.878 ( 2.933 -3.742 0.592) 4.791 6.425 ( -2.011 -5.270 0.699) 5.683 6.425 ( 2.011 -5.270 0.699) 5.683 7.571 ( -3.216 -20.691 0.774) 20.954 7.571 ( 3.216 -20.691 0.774) 20.954 8.542 ( -2.936 4.794 1.986) 5.962 8.542 ( 2.936 4.794 1.986) 5.962 8.852 ( -2.994 -3.672 0.366) 4.752 8.852 ( 2.994 -3.672 0.366) 4.752 11.019 ( -0.488 -24.308 0.494) 24.318 11.019 ( 0.488 -24.308 0.494) 24.318 11.830 ( -0.449 -19.970 -0.998) 19.999 11.830 ( 0.449 -19.970 -0.998) 19.999 14.267 ( -0.998 28.920 -2.449) 29.041 14.267 ( 0.998 28.920 -2.449) 29.041 15.752 ( -0.933 -3.095 0.094) 3.234 15.752 ( 0.933 -3.095 0.094) 3.234 ======================= Grid point 399 (133/140) ======================= q-point: ( 0.00 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 0.000 10.809 2.603) 11.118 1.854 ( 0.000 9.336 -3.117) 9.842 2.083 ( 0.000 9.913 2.317) 10.180 2.101 ( 0.000 7.729 0.221) 7.732 2.405 ( 0.000 1.495 4.329) 4.580 2.507 ( 0.000 -1.130 -5.327) 5.445 2.997 ( 0.000 -15.128 0.742) 15.147 3.048 ( 0.000 -14.663 -3.568) 15.091 3.721 ( 0.000 19.947 11.748) 23.150 3.887 ( 0.000 16.830 -4.069) 17.315 4.156 ( 0.000 13.997 1.962) 14.134 4.201 ( 0.000 13.286 -1.777) 13.405 4.454 ( 0.000 1.110 4.690) 4.820 4.526 ( 0.000 3.156 -1.488) 3.489 4.869 ( 0.000 -4.556 2.807) 5.351 4.923 ( 0.000 -6.127 -2.359) 6.565 5.049 ( 0.000 -0.181 1.842) 1.851 5.088 ( 0.000 -1.044 -2.701) 2.896 5.435 ( 0.000 -4.309 1.041) 4.433 5.542 ( 0.000 -4.563 -8.742) 9.862 6.510 ( 0.000 -9.696 1.883) 9.877 6.533 ( 0.000 -11.562 -0.685) 11.582 7.344 ( 0.000 -3.478 7.746) 8.491 7.488 ( 0.000 -8.444 -7.118) 11.044 8.330 ( 0.000 -6.685 1.689) 6.894 8.338 ( 0.000 -9.871 0.455) 9.882 8.838 ( 0.000 1.320 2.923) 3.208 8.871 ( 0.000 2.961 -0.237) 2.971 10.761 ( 0.000 -11.115 0.804) 11.144 10.766 ( 0.000 -11.321 0.238) 11.324 11.427 ( 0.000 -20.279 1.100) 20.308 11.449 ( 0.000 -19.997 -1.109) 20.028 14.738 ( 0.000 23.748 -0.492) 23.753 14.769 ( 0.000 21.136 -4.072) 21.524 15.626 ( 0.000 -7.847 3.370) 8.541 15.677 ( 0.000 -8.845 -2.045) 9.078 ======================= Grid point 400 (134/140) ======================= q-point: ( 0.17 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 6.203 10.940 2.494) 12.821 1.918 ( 4.839 9.790 -2.029) 11.107 2.100 ( 1.704 8.652 3.510) 9.491 2.147 ( 4.768 6.082 -1.369) 7.848 2.364 ( -2.957 1.925 5.747) 6.744 2.506 ( -0.073 -1.436 -8.027) 8.154 2.953 ( -3.684 -13.106 1.577) 13.704 3.012 ( -3.173 -12.811 -3.499) 13.654 3.683 ( -3.494 21.011 9.885) 23.482 3.820 ( -6.197 18.673 -3.284) 19.946 4.140 ( -1.523 12.921 -0.705) 13.029 4.147 ( -4.247 11.827 -0.815) 12.592 4.462 ( 0.746 1.702 4.805) 5.152 4.541 ( 0.783 3.160 -2.521) 4.118 4.781 ( -7.842 -7.171 2.022) 10.817 4.821 ( -6.044 -6.510 -1.682) 9.041 5.147 ( 8.991 2.068 5.013) 10.500 5.259 ( 12.947 2.278 -5.916) 14.415 5.535 ( 8.153 -8.137 1.265) 11.588 5.606 ( 5.407 -5.505 -5.751) 9.624 6.470 ( -3.447 -9.512 1.187) 10.187 6.480 ( -4.461 -11.523 -0.140) 12.357 7.262 ( -6.651 -8.398 7.504) 13.080 7.398 ( -7.626 -12.826 -6.609) 16.320 8.398 ( 6.108 -3.342 3.426) 7.760 8.441 ( 7.999 -4.842 -1.089) 9.413 8.844 ( -0.692 1.239 2.357) 2.752 8.865 ( 0.133 1.579 0.117) 1.589 10.735 ( -1.747 -10.595 1.868) 10.899 10.762 ( -0.894 -9.877 -0.861) 9.954 11.419 ( -0.627 -20.940 0.824) 20.966 11.437 ( -0.957 -20.640 -1.037) 20.688 14.745 ( 0.632 23.604 -0.584) 23.619 14.772 ( 0.202 21.389 -3.619) 21.694 15.626 ( 0.041 -7.875 2.921) 8.400 15.671 ( -0.571 -8.711 -1.809) 8.915 ======================= Grid point 401 (135/140) ======================= q-point: ( 0.33 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 2.880 10.550 2.140) 11.143 1.998 ( 2.430 10.110 0.128) 10.399 2.141 ( 1.639 4.475 4.139) 6.312 2.220 ( -0.826 1.563 -3.392) 3.825 2.391 ( 7.957 5.801 5.356) 11.209 2.533 ( 3.490 -0.752 -9.329) 9.989 2.871 ( -3.970 -9.105 2.907) 10.350 2.934 ( -4.220 -9.553 -3.184) 10.918 3.595 ( -4.079 23.329 5.682) 24.355 3.670 ( -7.101 21.482 -1.986) 22.712 4.072 ( -2.152 10.733 0.027) 10.947 4.106 ( -1.885 11.547 -3.193) 12.128 4.475 ( 0.564 1.694 4.131) 4.500 4.542 ( -1.090 2.913 -1.514) 3.459 4.631 ( -5.254 -6.054 0.748) 8.051 4.691 ( -5.705 -5.449 -4.241) 8.956 5.384 ( 11.888 -2.576 7.197) 14.134 5.498 ( 8.374 -3.273 -4.013) 9.846 5.697 ( 5.363 -7.205 0.971) 9.034 5.730 ( 5.917 -5.924 -2.340) 8.694 6.388 ( -2.799 -6.743 1.237) 7.405 6.409 ( -2.002 -6.446 -0.745) 6.791 7.131 ( -4.922 -18.080 5.154) 19.434 7.223 ( -8.328 -20.619 -4.489) 22.686 8.532 ( 6.259 2.441 4.995) 8.372 8.609 ( 7.072 0.683 -2.988) 7.708 8.796 ( -3.055 0.784 5.008) 5.919 8.861 ( -1.469 -0.816 -1.788) 2.454 10.705 ( -0.853 -8.716 1.869) 8.954 10.734 ( -1.621 -7.946 -1.024) 8.174 11.407 ( -0.445 -22.054 0.176) 22.059 11.416 ( -0.912 -21.815 -0.820) 21.849 14.760 ( 0.783 23.207 -0.897) 23.238 14.775 ( 0.098 21.991 -2.583) 22.142 15.629 ( 0.338 -7.964 1.726) 8.155 15.656 ( -0.802 -8.412 -1.049) 8.515 ======================= Grid point 402 (136/140) ======================= q-point: (-0.50 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -0.792 9.608 2.368) 9.927 2.010 ( 0.792 9.608 2.368) 9.927 2.176 ( -2.255 2.617 -1.346) 3.707 2.176 ( 2.255 2.617 -1.346) 3.707 2.558 ( -4.788 2.982 -0.331) 5.650 2.558 ( 4.788 2.982 -0.331) 5.650 2.844 ( -3.189 -7.891 -1.290) 8.608 2.844 ( 3.189 -7.891 -1.290) 8.608 3.568 ( -2.125 23.770 1.239) 23.897 3.568 ( 2.125 23.770 1.239) 23.897 4.067 ( -1.420 10.607 -2.080) 10.902 4.067 ( 1.420 10.607 -2.080) 10.902 4.496 ( -1.911 0.555 3.409) 3.948 4.496 ( 1.911 0.555 3.409) 3.948 4.608 ( -2.063 -3.433 -4.217) 5.816 4.608 ( 2.063 -3.433 -4.217) 5.816 5.557 ( -3.346 -6.875 2.881) 8.171 5.557 ( 3.346 -6.875 2.881) 8.171 5.766 ( -2.023 -8.200 -0.280) 8.450 5.766 ( 2.023 -8.200 -0.280) 8.450 6.383 ( -1.167 0.658 -0.147) 1.348 6.383 ( 1.167 0.658 -0.147) 1.348 7.100 ( -2.577 -25.383 -0.007) 25.513 7.100 ( 2.577 -25.383 -0.007) 25.513 8.644 ( -3.982 4.904 3.089) 7.032 8.644 ( 3.982 4.904 3.089) 7.032 8.800 ( -3.770 -1.891 -0.252) 4.225 8.800 ( 3.770 -1.891 -0.252) 4.225 10.706 ( -0.882 -7.408 0.354) 7.469 10.706 ( 0.882 -7.408 0.354) 7.469 11.404 ( -0.228 -22.427 -0.436) 22.433 11.404 ( 0.228 -22.427 -0.436) 22.433 14.773 ( -0.385 22.649 -1.559) 22.705 14.773 ( 0.385 22.649 -1.559) 22.705 15.640 ( -0.680 -8.136 0.227) 8.168 15.640 ( 0.680 -8.136 0.227) 8.168 ======================= Grid point 406 (137/140) ======================= q-point: ( 0.00 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.000 4.687 0.914) 4.776 1.974 ( 0.000 2.784 -0.793) 2.894 2.255 ( 0.000 6.996 1.058) 7.076 2.272 ( 0.000 7.414 -0.517) 7.432 2.399 ( 0.000 -1.176 2.043) 2.357 2.451 ( 0.000 -4.420 -2.940) 5.308 2.805 ( 0.000 -4.017 0.067) 4.017 2.836 ( 0.000 -6.589 -2.738) 7.135 4.090 ( 0.000 15.256 8.105) 17.275 4.190 ( 0.000 8.625 -1.676) 8.786 4.384 ( 0.000 9.886 6.760) 11.976 4.424 ( 0.000 7.482 0.095) 7.483 4.485 ( 0.000 2.416 3.291) 4.083 4.576 ( 0.000 -0.469 -1.768) 1.829 4.742 ( 0.000 -5.557 3.019) 6.324 4.792 ( 0.000 -6.717 -1.627) 6.912 5.020 ( 0.000 -1.939 0.312) 1.964 5.033 ( 0.000 -3.354 -1.416) 3.641 5.400 ( 0.000 0.890 -3.684) 3.790 5.455 ( 0.000 -4.059 -8.230) 9.177 6.348 ( 0.000 -5.410 -0.239) 5.415 6.349 ( 0.000 -5.741 -0.380) 5.754 7.301 ( 0.000 -0.360 4.144) 4.159 7.346 ( 0.000 -5.071 -0.351) 5.083 8.193 ( 0.000 -3.902 0.234) 3.909 8.203 ( 0.000 -4.616 -0.707) 4.670 8.901 ( 0.000 3.291 1.632) 3.674 8.923 ( 0.000 1.297 -0.455) 1.374 10.650 ( 0.000 -1.394 0.469) 1.471 10.652 ( 0.000 -1.564 0.225) 1.580 11.118 ( 0.000 -9.343 1.536) 9.469 11.131 ( 0.000 -10.441 0.233) 10.444 15.138 ( 0.000 16.703 -0.605) 16.714 15.147 ( 0.000 18.277 -1.419) 18.332 15.425 ( 0.000 -12.575 1.665) 12.685 15.457 ( 0.000 -13.537 -1.747) 13.649 ======================= Grid point 407 (138/140) ======================= q-point: ( 0.17 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 351 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 5.670 4.191 0.951) 7.114 2.042 ( 5.153 2.817 -0.654) 5.909 2.249 ( -2.256 4.266 0.855) 4.901 2.256 ( -0.305 4.233 0.397) 4.262 2.400 ( 1.636 2.556 1.748) 3.503 2.455 ( 0.905 -3.063 -3.889) 5.033 2.797 ( -0.610 -2.883 0.512) 2.991 2.830 ( -0.604 -5.784 -2.528) 6.341 4.087 ( -0.458 17.367 8.058) 19.151 4.190 ( -0.630 13.967 -1.572) 14.069 4.310 ( -5.112 4.991 4.814) 8.615 4.355 ( -4.684 7.537 -1.346) 8.975 4.502 ( -0.009 1.751 4.391) 4.727 4.584 ( -0.527 -3.669 0.320) 3.720 4.615 ( -6.621 -4.585 -1.773) 8.246 4.672 ( -7.293 -6.875 -3.595) 10.648 5.196 ( 11.331 3.090 5.327) 12.897 5.280 ( 17.102 -2.919 -0.252) 17.351 5.402 ( 0.384 -1.321 -3.270) 3.547 5.485 ( 3.758 -6.523 -8.388) 11.271 6.291 ( -4.465 -5.949 -0.423) 7.450 6.297 ( -3.823 -6.288 -0.995) 7.426 7.151 ( -12.005 -2.100 3.793) 12.764 7.196 ( -12.203 -6.709 -0.739) 13.945 8.335 ( 11.239 -1.652 1.270) 11.431 8.354 ( 11.605 -3.362 -0.624) 12.098 8.893 ( -1.174 2.617 1.586) 3.277 8.909 ( -1.365 1.265 -0.050) 1.861 10.652 ( 0.782 0.857 1.524) 1.915 10.676 ( 1.675 -0.744 -0.909) 2.046 11.086 ( -2.814 -10.706 1.456) 11.165 11.101 ( -2.626 -11.624 -0.071) 11.918 15.142 ( 0.324 16.664 -0.524) 16.675 15.150 ( 0.265 17.974 -1.325) 18.025 15.426 ( 0.149 -12.438 1.478) 12.526 15.455 ( -0.215 -13.276 -1.553) 13.368 ======================= Grid point 408 (139/140) ======================= q-point: ( 0.33 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 1.923 3.506 0.300) 4.010 2.129 ( 2.941 3.262 -0.794) 4.463 2.187 ( -2.588 1.654 1.613) 3.469 2.234 ( -2.118 -1.121 -2.624) 3.553 2.500 ( 7.384 4.655 2.369) 9.045 2.539 ( 7.407 0.729 -1.999) 7.706 2.776 ( -2.033 -1.327 1.105) 2.667 2.804 ( -2.216 -4.104 -1.647) 4.947 4.068 ( -1.021 20.793 6.070) 21.685 4.129 ( -4.022 21.526 0.821) 21.914 4.244 ( -2.036 4.599 2.168) 5.477 4.287 ( -1.759 6.003 -2.611) 6.778 4.463 ( -2.819 -5.855 3.593) 7.426 4.510 ( -2.190 -4.220 -1.852) 5.103 4.556 ( -3.441 -5.083 -2.712) 6.710 4.578 ( -1.384 -1.215 -3.762) 4.189 5.355 ( 4.996 0.808 4.304) 6.643 5.427 ( 2.304 -4.165 -3.015) 5.634 5.546 ( 4.902 -5.250 1.622) 7.363 5.596 ( 3.098 -7.431 -3.450) 8.759 6.271 ( 5.823 -3.541 -0.415) 6.828 6.289 ( 5.741 -4.978 -2.092) 7.881 6.881 ( -13.556 -5.813 2.565) 14.972 6.915 ( -14.404 -9.176 -0.904) 17.103 8.561 ( 9.670 1.068 2.542) 10.056 8.589 ( 10.186 -1.755 -0.272) 10.340 8.838 ( -4.129 2.359 2.561) 5.401 8.863 ( -3.370 -0.086 -0.067) 3.372 10.683 ( 2.057 5.155 1.691) 5.802 10.713 ( 1.542 3.898 -1.307) 4.391 11.021 ( -2.912 -15.024 1.085) 15.342 11.038 ( -3.124 -15.134 -0.576) 15.463 15.150 ( 0.435 16.641 -0.464) 16.653 15.156 ( 0.217 17.338 -1.044) 17.371 15.431 ( 0.359 -12.228 0.884) 12.265 15.449 ( -0.383 -12.715 -0.955) 12.756 ======================= Grid point 409 (140/140) ======================= q-point: (-0.50 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -0.827 4.046 0.989) 4.246 2.138 ( 0.827 4.046 0.989) 4.246 2.188 ( -1.931 -1.148 -2.863) 3.639 2.188 ( 1.931 -1.148 -2.863) 3.639 2.643 ( -3.204 5.165 1.865) 6.357 2.643 ( 3.204 5.165 1.865) 6.357 2.736 ( -2.647 -4.325 -0.482) 5.093 2.736 ( 2.647 -4.325 -0.482) 5.093 4.071 ( -1.564 22.361 3.366) 22.667 4.071 ( 1.564 22.361 3.366) 22.667 4.239 ( -2.039 5.070 -1.506) 5.668 4.239 ( 2.039 5.070 -1.506) 5.668 4.463 ( -2.325 -1.614 1.636) 3.269 4.463 ( 2.325 -1.614 1.636) 3.270 4.543 ( -1.505 -5.006 -4.357) 6.805 4.543 ( 1.505 -5.006 -4.357) 6.805 5.453 ( -3.166 -1.646 1.241) 3.778 5.453 ( 3.166 -1.646 1.241) 3.778 5.560 ( -2.637 -11.196 -0.946) 11.541 5.560 ( 2.637 -11.196 -0.946) 11.541 6.451 ( -0.933 6.573 -0.250) 6.643 6.451 ( 0.933 6.573 -0.250) 6.643 6.670 ( -1.589 -16.795 -0.192) 16.871 6.670 ( 1.589 -16.795 -0.192) 16.871 8.721 ( -5.013 3.017 2.465) 6.349 8.721 ( 5.013 3.017 2.465) 6.349 8.767 ( -4.990 -1.802 0.599) 5.339 8.767 ( 4.990 -1.802 0.599) 5.339 10.721 ( -1.034 8.291 0.193) 8.358 10.721 ( 1.034 8.291 0.193) 8.358 10.993 ( -0.612 -18.556 -0.072) 18.567 10.993 ( 0.612 -18.556 -0.072) 18.567 15.157 ( -0.166 16.840 -0.671) 16.855 15.157 ( 0.166 16.840 -0.671) 16.855 15.440 ( -0.463 -12.295 -0.037) 12.304 15.440 ( 0.463 -12.295 -0.037) 12.304 =================== 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 3/25272 10.0 466.206 569.916 516.134 0.000 0.000 -0.000 3/25272 20.0 102.755 156.450 98.437 0.000 0.000 -0.000 3/25272 30.0 43.422 69.288 38.527 0.000 0.000 -0.000 3/25272 40.0 24.113 39.601 20.803 0.000 0.000 -0.000 3/25272 50.0 15.650 26.476 13.385 0.000 0.000 -0.000 3/25272 60.0 11.250 19.526 9.609 0.000 0.000 -0.000 3/25272 70.0 8.671 15.359 7.417 0.000 0.000 -0.000 3/25272 80.0 7.019 12.633 6.019 0.000 0.000 -0.000 3/25272 90.0 5.886 10.733 5.062 0.000 0.000 -0.000 3/25272 100.0 5.067 9.344 4.370 0.000 0.000 -0.000 3/25272 110.0 4.450 8.289 3.847 0.000 0.000 -0.000 3/25272 120.0 3.969 7.462 3.440 0.000 0.000 -0.000 3/25272 130.0 3.585 6.797 3.113 0.000 0.000 -0.000 3/25272 140.0 3.270 6.251 2.846 0.000 0.000 -0.000 3/25272 150.0 3.008 5.793 2.623 0.000 0.000 -0.000 3/25272 160.0 2.787 5.404 2.433 0.000 0.000 -0.000 3/25272 170.0 2.597 5.068 2.270 0.000 0.000 -0.000 3/25272 180.0 2.432 4.774 2.129 0.000 0.000 -0.000 3/25272 190.0 2.287 4.516 2.005 0.000 0.000 -0.000 3/25272 200.0 2.160 4.286 1.895 0.000 0.000 -0.000 3/25272 210.0 2.046 4.079 1.797 0.000 0.000 -0.000 3/25272 220.0 1.944 3.893 1.709 0.000 0.000 -0.000 3/25272 230.0 1.852 3.724 1.629 0.000 0.000 -0.000 3/25272 240.0 1.769 3.569 1.557 0.000 0.000 -0.000 3/25272 250.0 1.693 3.428 1.491 0.000 0.000 -0.000 3/25272 260.0 1.623 3.297 1.431 0.000 0.000 -0.000 3/25272 270.0 1.559 3.177 1.375 0.000 0.000 -0.000 3/25272 280.0 1.501 3.065 1.324 0.000 0.000 -0.000 3/25272 290.0 1.446 2.961 1.277 0.000 0.000 -0.000 3/25272 300.0 1.395 2.864 1.232 0.000 0.000 -0.000 3/25272 310.0 1.348 2.773 1.191 0.000 0.000 -0.000 3/25272 320.0 1.304 2.688 1.153 0.000 0.000 -0.000 3/25272 330.0 1.263 2.608 1.117 0.000 0.000 -0.000 3/25272 340.0 1.225 2.532 1.083 0.000 0.000 -0.000 3/25272 350.0 1.188 2.461 1.051 0.000 0.000 -0.000 3/25272 360.0 1.154 2.394 1.021 0.000 0.000 -0.000 3/25272 370.0 1.122 2.330 0.993 0.000 0.000 -0.000 3/25272 380.0 1.092 2.270 0.967 0.000 0.000 -0.000 3/25272 390.0 1.063 2.213 0.941 0.000 0.000 -0.000 3/25272 400.0 1.035 2.158 0.917 0.000 0.000 -0.000 3/25272 410.0 1.010 2.107 0.895 0.000 0.000 -0.000 3/25272 420.0 0.985 2.057 0.873 0.000 0.000 -0.000 3/25272 430.0 0.962 2.010 0.852 0.000 0.000 -0.000 3/25272 440.0 0.939 1.965 0.833 0.000 0.000 -0.000 3/25272 450.0 0.918 1.922 0.814 0.000 0.000 -0.000 3/25272 460.0 0.898 1.881 0.796 0.000 0.000 -0.000 3/25272 470.0 0.878 1.842 0.779 0.000 0.000 -0.000 3/25272 480.0 0.859 1.804 0.762 0.000 0.000 -0.000 3/25272 490.0 0.842 1.767 0.747 0.000 0.000 -0.000 3/25272 500.0 0.824 1.732 0.731 0.000 0.000 -0.000 3/25272 510.0 0.808 1.699 0.717 0.000 0.000 -0.000 3/25272 520.0 0.792 1.667 0.703 0.000 0.000 -0.000 3/25272 530.0 0.777 1.636 0.690 0.000 0.000 -0.000 3/25272 540.0 0.762 1.606 0.677 0.000 0.000 -0.000 3/25272 550.0 0.748 1.577 0.664 0.000 0.000 -0.000 3/25272 560.0 0.735 1.549 0.652 0.000 0.000 -0.000 3/25272 570.0 0.722 1.522 0.641 0.000 0.000 -0.000 3/25272 580.0 0.709 1.496 0.630 0.000 0.000 -0.000 3/25272 590.0 0.697 1.471 0.619 0.000 0.000 -0.000 3/25272 600.0 0.685 1.447 0.608 0.000 0.000 -0.000 3/25272 610.0 0.674 1.423 0.598 0.000 0.000 -0.000 3/25272 620.0 0.663 1.401 0.589 0.000 0.000 -0.000 3/25272 630.0 0.652 1.379 0.579 0.000 0.000 -0.000 3/25272 640.0 0.642 1.357 0.570 0.000 0.000 -0.000 3/25272 650.0 0.632 1.336 0.561 0.000 0.000 -0.000 3/25272 660.0 0.622 1.316 0.553 0.000 0.000 -0.000 3/25272 670.0 0.613 1.297 0.545 0.000 0.000 -0.000 3/25272 680.0 0.604 1.278 0.536 0.000 0.000 -0.000 3/25272 690.0 0.595 1.260 0.529 0.000 0.000 -0.000 3/25272 700.0 0.586 1.242 0.521 0.000 0.000 -0.000 3/25272 710.0 0.578 1.224 0.514 0.000 0.000 -0.000 3/25272 720.0 0.570 1.208 0.506 0.000 0.000 -0.000 3/25272 730.0 0.562 1.191 0.500 0.000 0.000 -0.000 3/25272 740.0 0.555 1.175 0.493 0.000 0.000 -0.000 3/25272 750.0 0.547 1.160 0.486 0.000 0.000 -0.000 3/25272 760.0 0.540 1.144 0.480 0.000 0.000 -0.000 3/25272 770.0 0.533 1.130 0.473 0.000 0.000 -0.000 3/25272 780.0 0.526 1.115 0.467 0.000 0.000 -0.000 3/25272 790.0 0.519 1.101 0.461 0.000 0.000 -0.000 3/25272 800.0 0.513 1.088 0.456 0.000 0.000 -0.000 3/25272 810.0 0.506 1.074 0.450 0.000 0.000 -0.000 3/25272 820.0 0.500 1.061 0.444 0.000 0.000 -0.000 3/25272 830.0 0.494 1.049 0.439 0.000 0.000 -0.000 3/25272 840.0 0.488 1.036 0.434 0.000 0.000 -0.000 3/25272 850.0 0.482 1.024 0.429 0.000 0.000 -0.000 3/25272 860.0 0.477 1.012 0.424 0.000 0.000 -0.000 3/25272 870.0 0.471 1.001 0.419 0.000 0.000 -0.000 3/25272 880.0 0.466 0.989 0.414 0.000 0.000 -0.000 3/25272 890.0 0.461 0.978 0.409 0.000 0.000 -0.000 3/25272 900.0 0.455 0.967 0.405 0.000 0.000 -0.000 3/25272 910.0 0.450 0.957 0.400 0.000 0.000 -0.000 3/25272 920.0 0.445 0.946 0.396 0.000 0.000 -0.000 3/25272 930.0 0.441 0.936 0.392 0.000 0.000 -0.000 3/25272 940.0 0.436 0.926 0.388 0.000 0.000 -0.000 3/25272 950.0 0.431 0.917 0.383 0.000 0.000 -0.000 3/25272 960.0 0.427 0.907 0.379 0.000 0.000 -0.000 3/25272 970.0 0.422 0.898 0.376 0.000 0.000 -0.000 3/25272 980.0 0.418 0.889 0.372 0.000 0.000 -0.000 3/25272 990.0 0.414 0.880 0.368 0.000 0.000 -0.000 3/25272 1000.0 0.410 0.871 0.364 0.000 0.000 -0.000 3/25272 Thermal conductivity related properties were written into "kappa-m6139.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:17:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|