----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:19:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.806556850058973 0.000000000000000 0.000000000000000 b 0.000000000000000 4.832557199999998 0.000000000000000 c -2.231199015147934 0.000000000000000 5.359444146010092 Atomic positions (fractional): *1 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 2 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 *3 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 4 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 *5 O 0.84968222576731 0.30334404798461 0.15532302202625 15.999 6 O 0.84968222576731 0.19665595201539 0.65532302202625 15.999 *7 O 0.65486883407553 0.69226031036630 0.35002746806707 15.999 8 O 0.65486883407553 0.80773968963370 0.85002746806707 15.999 9 O 0.34513116592447 0.19226031036630 0.14997253193293 15.999 10 O 0.34513116592447 0.30773968963370 0.64997253193293 15.999 11 O 0.15031777423269 0.80334404798461 0.34467697797375 15.999 12 O 0.15031777423269 0.69665595201539 0.84467697797375 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.806556850058973 0.000000000000000 0.000000000000000 b 0.000000000000000 4.832557199999998 0.000000000000000 c -2.231199015147934 0.000000000000000 5.359444146010092 Atomic positions (fractional): *1 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 1 2 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 > 2 *3 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 3 4 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 4 *5 O 0.84968222576731 0.30334404798461 0.15532302202625 15.999 > 5 6 O 0.84968222576731 0.19665595201539 0.65532302202625 15.999 > 6 *7 O 0.65486883407553 0.69226031036630 0.35002746806707 15.999 > 7 8 O 0.65486883407553 0.80773968963370 0.85002746806707 15.999 > 8 9 O 0.34513116592447 0.19226031036630 0.14997253193293 15.999 > 9 10 O 0.34513116592447 0.30773968963370 0.64997253193293 15.999 > 10 11 O 0.15031777423269 0.80334404798461 0.34467697797375 15.999 > 11 12 O 0.15031777423269 0.69665595201539 0.84467697797375 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.613113700117946 0.000000000000000 0.000000000000000 b 0.000000000000000 14.497671599999995 0.000000000000000 c -4.462398030295868 0.000000000000000 10.718888292020184 Atomic positions (fractional): *1 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 1 2 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 1 3 Hf 0.00000000000000 0.33333333333333 0.00000000000000 178.490 > 1 4 Hf 0.50000000000000 0.33333333333333 0.00000000000000 178.490 > 1 5 Hf 0.00000000000000 0.66666666666667 0.00000000000000 178.490 > 1 6 Hf 0.50000000000000 0.66666666666667 0.00000000000000 178.490 > 1 7 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 1 8 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 1 9 Hf 0.00000000000000 0.33333333333333 0.50000000000000 178.490 > 1 10 Hf 0.50000000000000 0.33333333333333 0.50000000000000 178.490 > 1 11 Hf 0.00000000000000 0.66666666666667 0.50000000000000 178.490 > 1 12 Hf 0.50000000000000 0.66666666666667 0.50000000000000 178.490 > 1 13 Hf 0.00000000000000 0.16666666666667 0.25000000000000 178.490 > 2 14 Hf 0.50000000000000 0.16666666666667 0.25000000000000 178.490 > 2 15 Hf 0.00000000000000 0.50000000000000 0.25000000000000 178.490 > 2 16 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 2 17 Hf 0.00000000000000 0.83333333333333 0.25000000000000 178.490 > 2 18 Hf 0.50000000000000 0.83333333333333 0.25000000000000 178.490 > 2 19 Hf 0.00000000000000 0.16666666666667 0.75000000000000 178.490 > 2 20 Hf 0.50000000000000 0.16666666666667 0.75000000000000 178.490 > 2 21 Hf 0.00000000000000 0.50000000000000 0.75000000000000 178.490 > 2 22 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 2 23 Hf 0.00000000000000 0.83333333333333 0.75000000000000 178.490 > 2 24 Hf 0.50000000000000 0.83333333333333 0.75000000000000 178.490 > 2 *25 Zr 0.25000000000000 0.16666666666667 0.00000000000000 91.224 > 3 26 Zr 0.75000000000000 0.16666666666667 0.00000000000000 91.224 > 3 27 Zr 0.25000000000000 0.50000000000000 0.00000000000000 91.224 > 3 28 Zr 0.75000000000000 0.50000000000000 0.00000000000000 91.224 > 3 29 Zr 0.25000000000000 0.83333333333333 0.00000000000000 91.224 > 3 30 Zr 0.75000000000000 0.83333333333333 0.00000000000000 91.224 > 3 31 Zr 0.25000000000000 0.16666666666667 0.50000000000000 91.224 > 3 32 Zr 0.75000000000000 0.16666666666667 0.50000000000000 91.224 > 3 33 Zr 0.25000000000000 0.50000000000000 0.50000000000000 91.224 > 3 34 Zr 0.75000000000000 0.50000000000000 0.50000000000000 91.224 > 3 35 Zr 0.25000000000000 0.83333333333333 0.50000000000000 91.224 > 3 36 Zr 0.75000000000000 0.83333333333333 0.50000000000000 91.224 > 3 37 Zr 0.25000000000000 0.00000000000000 0.25000000000000 91.224 > 4 38 Zr 0.75000000000000 0.00000000000000 0.25000000000000 91.224 > 4 39 Zr 0.25000000000000 0.33333333333333 0.25000000000000 91.224 > 4 40 Zr 0.75000000000000 0.33333333333333 0.25000000000000 91.224 > 4 41 Zr 0.25000000000000 0.66666666666667 0.25000000000000 91.224 > 4 42 Zr 0.75000000000000 0.66666666666667 0.25000000000000 91.224 > 4 43 Zr 0.25000000000000 0.00000000000000 0.75000000000000 91.224 > 4 44 Zr 0.75000000000000 0.00000000000000 0.75000000000000 91.224 > 4 45 Zr 0.25000000000000 0.33333333333333 0.75000000000000 91.224 > 4 46 Zr 0.75000000000000 0.33333333333333 0.75000000000000 91.224 > 4 47 Zr 0.25000000000000 0.66666666666667 0.75000000000000 91.224 > 4 48 Zr 0.75000000000000 0.66666666666667 0.75000000000000 91.224 > 4 *49 O 0.42484111288365 0.10111468266154 0.07766151101313 15.999 > 5 50 O 0.92484111288365 0.10111468266154 0.07766151101313 15.999 > 5 51 O 0.42484111288365 0.43444801599487 0.07766151101313 15.999 > 5 52 O 0.92484111288365 0.43444801599487 0.07766151101313 15.999 > 5 53 O 0.42484111288365 0.76778134932820 0.07766151101313 15.999 > 5 54 O 0.92484111288365 0.76778134932820 0.07766151101313 15.999 > 5 55 O 0.42484111288365 0.10111468266154 0.57766151101313 15.999 > 5 56 O 0.92484111288365 0.10111468266154 0.57766151101313 15.999 > 5 57 O 0.42484111288365 0.43444801599487 0.57766151101313 15.999 > 5 58 O 0.92484111288365 0.43444801599487 0.57766151101313 15.999 > 5 59 O 0.42484111288365 0.76778134932820 0.57766151101313 15.999 > 5 60 O 0.92484111288365 0.76778134932820 0.57766151101313 15.999 > 5 61 O 0.42484111288365 0.06555198400513 0.32766151101313 15.999 > 6 62 O 0.92484111288365 0.06555198400513 0.32766151101313 15.999 > 6 63 O 0.42484111288365 0.39888531733846 0.32766151101313 15.999 > 6 64 O 0.92484111288365 0.39888531733846 0.32766151101313 15.999 > 6 65 O 0.42484111288365 0.73221865067180 0.32766151101313 15.999 > 6 66 O 0.92484111288365 0.73221865067180 0.32766151101313 15.999 > 6 67 O 0.42484111288365 0.06555198400513 0.82766151101313 15.999 > 6 68 O 0.92484111288365 0.06555198400513 0.82766151101313 15.999 > 6 69 O 0.42484111288365 0.39888531733846 0.82766151101313 15.999 > 6 70 O 0.92484111288365 0.39888531733846 0.82766151101313 15.999 > 6 71 O 0.42484111288365 0.73221865067180 0.82766151101313 15.999 > 6 72 O 0.92484111288365 0.73221865067180 0.82766151101313 15.999 > 6 *73 O 0.32743441703777 0.23075343678877 0.17501373403354 15.999 > 7 74 O 0.82743441703777 0.23075343678877 0.17501373403354 15.999 > 7 75 O 0.32743441703777 0.56408677012210 0.17501373403354 15.999 > 7 76 O 0.82743441703777 0.56408677012210 0.17501373403354 15.999 > 7 77 O 0.32743441703777 0.89742010345543 0.17501373403354 15.999 > 7 78 O 0.82743441703777 0.89742010345543 0.17501373403354 15.999 > 7 79 O 0.32743441703777 0.23075343678877 0.67501373403354 15.999 > 7 80 O 0.82743441703777 0.23075343678877 0.67501373403354 15.999 > 7 81 O 0.32743441703777 0.56408677012210 0.67501373403354 15.999 > 7 82 O 0.82743441703777 0.56408677012210 0.67501373403354 15.999 > 7 83 O 0.32743441703777 0.89742010345543 0.67501373403354 15.999 > 7 84 O 0.82743441703777 0.89742010345543 0.67501373403354 15.999 > 7 85 O 0.32743441703777 0.26924656321123 0.42501373403354 15.999 > 8 86 O 0.82743441703777 0.26924656321123 0.42501373403354 15.999 > 8 87 O 0.32743441703777 0.60257989654457 0.42501373403354 15.999 > 8 88 O 0.82743441703777 0.60257989654457 0.42501373403354 15.999 > 8 89 O 0.32743441703777 0.93591322987790 0.42501373403354 15.999 > 8 90 O 0.82743441703777 0.93591322987790 0.42501373403354 15.999 > 8 91 O 0.32743441703777 0.26924656321123 0.92501373403354 15.999 > 8 92 O 0.82743441703777 0.26924656321123 0.92501373403354 15.999 > 8 93 O 0.32743441703777 0.60257989654457 0.92501373403354 15.999 > 8 94 O 0.82743441703777 0.60257989654457 0.92501373403354 15.999 > 8 95 O 0.32743441703777 0.93591322987790 0.92501373403354 15.999 > 8 96 O 0.82743441703777 0.93591322987790 0.92501373403354 15.999 > 8 97 O 0.17256558296223 0.06408677012210 0.07498626596646 15.999 > 9 98 O 0.67256558296223 0.06408677012210 0.07498626596646 15.999 > 9 99 O 0.17256558296223 0.39742010345543 0.07498626596646 15.999 > 9 100 O 0.67256558296223 0.39742010345543 0.07498626596646 15.999 > 9 101 O 0.17256558296223 0.73075343678877 0.07498626596646 15.999 > 9 102 O 0.67256558296223 0.73075343678877 0.07498626596646 15.999 > 9 103 O 0.17256558296223 0.06408677012210 0.57498626596646 15.999 > 9 104 O 0.67256558296223 0.06408677012210 0.57498626596646 15.999 > 9 105 O 0.17256558296223 0.39742010345543 0.57498626596646 15.999 > 9 106 O 0.67256558296223 0.39742010345543 0.57498626596646 15.999 > 9 107 O 0.17256558296223 0.73075343678877 0.57498626596646 15.999 > 9 108 O 0.67256558296223 0.73075343678877 0.57498626596646 15.999 > 9 109 O 0.17256558296223 0.10257989654457 0.32498626596646 15.999 > 10 110 O 0.67256558296223 0.10257989654457 0.32498626596646 15.999 > 10 111 O 0.17256558296223 0.43591322987790 0.32498626596646 15.999 > 10 112 O 0.67256558296223 0.43591322987790 0.32498626596646 15.999 > 10 113 O 0.17256558296223 0.76924656321123 0.32498626596646 15.999 > 10 114 O 0.67256558296223 0.76924656321123 0.32498626596646 15.999 > 10 115 O 0.17256558296223 0.10257989654457 0.82498626596646 15.999 > 10 116 O 0.67256558296223 0.10257989654457 0.82498626596646 15.999 > 10 117 O 0.17256558296223 0.43591322987790 0.82498626596646 15.999 > 10 118 O 0.67256558296223 0.43591322987790 0.82498626596646 15.999 > 10 119 O 0.17256558296223 0.76924656321123 0.82498626596646 15.999 > 10 120 O 0.67256558296223 0.76924656321123 0.82498626596646 15.999 > 10 121 O 0.07515888711635 0.26778134932820 0.17233848898687 15.999 > 11 122 O 0.57515888711635 0.26778134932820 0.17233848898687 15.999 > 11 123 O 0.07515888711635 0.60111468266154 0.17233848898687 15.999 > 11 124 O 0.57515888711635 0.60111468266154 0.17233848898687 15.999 > 11 125 O 0.07515888711635 0.93444801599487 0.17233848898687 15.999 > 11 126 O 0.57515888711635 0.93444801599487 0.17233848898687 15.999 > 11 127 O 0.07515888711635 0.26778134932820 0.67233848898687 15.999 > 11 128 O 0.57515888711635 0.26778134932820 0.67233848898687 15.999 > 11 129 O 0.07515888711635 0.60111468266154 0.67233848898687 15.999 > 11 130 O 0.57515888711635 0.60111468266154 0.67233848898687 15.999 > 11 131 O 0.07515888711635 0.93444801599487 0.67233848898687 15.999 > 11 132 O 0.57515888711635 0.93444801599487 0.67233848898687 15.999 > 11 133 O 0.07515888711635 0.23221865067180 0.42233848898687 15.999 > 12 134 O 0.57515888711635 0.23221865067180 0.42233848898687 15.999 > 12 135 O 0.07515888711635 0.56555198400513 0.42233848898687 15.999 > 12 136 O 0.57515888711635 0.56555198400513 0.42233848898687 15.999 > 12 137 O 0.07515888711635 0.89888531733846 0.42233848898687 15.999 > 12 138 O 0.57515888711635 0.89888531733846 0.42233848898687 15.999 > 12 139 O 0.07515888711635 0.23221865067180 0.92233848898687 15.999 > 12 140 O 0.57515888711635 0.23221865067180 0.92233848898687 15.999 > 12 141 O 0.07515888711635 0.56555198400513 0.92233848898687 15.999 > 12 142 O 0.57515888711635 0.56555198400513 0.92233848898687 15.999 > 12 143 O 0.07515888711635 0.89888531733846 0.92233848898687 15.999 > 12 144 O 0.57515888711635 0.89888531733846 0.92233848898687 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9241045 0.0000000 0.2826051 0.0000000 4.7341144 0.0000000 0.2826041 0.0000000 5.1609709 -------------------------- Born effective charges -------------------------- 1 Hf 5.7223990 -0.5811583 0.4764483 -0.4973330 5.3266196 0.4715350 0.4890637 0.3183193 5.9592847 2 Hf 5.7223990 0.5811583 0.4764483 0.4973330 5.3266196 -0.4715350 0.4890637 -0.3183193 5.9592847 3 Zr 5.7226972 0.5215637 0.3783268 0.5973256 5.5519386 -0.2526329 0.3666738 -0.4122272 6.2049690 4 Zr 5.7226972 -0.5215637 0.3783268 -0.5973256 5.5519386 0.2526329 0.3666738 0.4122272 6.2049690 5 O -2.8628245 1.1358588 -0.2439768 1.1366402 -2.6832082 -0.7439892 -0.2367354 -0.7332848 -3.0077199 6 O -2.8628245 -1.1358588 -0.2439768 -1.1366402 -2.6832082 0.7439892 -0.2367354 0.7332848 -3.0077199 7 O -2.8597236 1.1785187 -0.1834108 1.1774382 -2.7560709 -0.8033125 -0.1911334 -0.8135974 -3.0744070 8 O -2.8597236 -1.1785187 -0.1834108 -1.1774382 -2.7560709 0.8033125 -0.1911334 0.8135974 -3.0744070 9 O -2.8597236 -1.1785187 -0.1834108 -1.1774382 -2.7560709 0.8033125 -0.1911334 0.8135974 -3.0744070 10 O -2.8597236 1.1785187 -0.1834108 1.1774382 -2.7560709 -0.8033125 -0.1911334 -0.8135974 -3.0744070 11 O -2.8628245 -1.1358588 -0.2439768 -1.1366402 -2.6832082 0.7439892 -0.2367354 0.7332848 -3.0077199 12 O -2.8628245 1.1358588 -0.2439768 1.1366402 -2.6832082 -0.7439892 -0.2367354 -0.7332848 -3.0077199 ---------------------------------------------------------------------------- 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: 2052 Number of blocks in projector: 2052 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: 436 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 248 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 248 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 248 Use standard eigh solver. Tree of FC basis block matrices: - (2052, 2017), data: False |-- (248, 244), data: True |-- (248, 244), data: True |-- (248, 244), data: True |-- (436, 429), data: True |-- (436, 428), data: True |-- (436, 428), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 0.964 Solver_block: 200 / 400 - Time: 0.943 Solver_block: 300 / 400 - Time: 0.926 Solver_block: 400 / 400 - Time: 0.922 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.838 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2052 Number of blocks in projector: 2052 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: 436 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 248 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 248 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 248 Use standard eigh solver. Tree of FC basis block matrices: - (2052, 2017), data: False |-- (248, 244), data: True |-- (248, 244), data: True |-- (248, 244), data: True |-- (436, 429), data: True |-- (436, 428), data: True |-- (436, 428), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:19:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:19:30]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.806556850058973 0.000000000000000 0.000000000000000 b 0.000000000000000 4.832557199999998 0.000000000000000 c -2.231199015147934 0.000000000000000 5.359444146010092 Atomic positions (fractional): 1 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 2 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 3 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 4 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 5 O 0.84968222576731 0.30334404798461 0.15532302202625 15.999 6 O 0.84968222576731 0.19665595201539 0.65532302202625 15.999 7 O 0.65486883407553 0.69226031036630 0.35002746806707 15.999 8 O 0.65486883407553 0.80773968963370 0.85002746806707 15.999 9 O 0.34513116592447 0.19226031036630 0.14997253193293 15.999 10 O 0.34513116592447 0.30773968963370 0.64997253193293 15.999 11 O 0.15031777423269 0.80334404798461 0.34467697797375 15.999 12 O 0.15031777423269 0.69665595201539 0.84467697797375 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.613113700117946 0.000000000000000 0.000000000000000 b 0.000000000000000 14.497671599999995 0.000000000000000 c -4.462398030295868 0.000000000000000 10.718888292020184 Atomic positions (fractional): 1 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 1 2 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 1 3 Hf 0.00000000000000 0.33333333333333 0.00000000000000 178.490 > 1 4 Hf 0.50000000000000 0.33333333333333 0.00000000000000 178.490 > 1 5 Hf 0.00000000000000 0.66666666666667 0.00000000000000 178.490 > 1 6 Hf 0.50000000000000 0.66666666666667 0.00000000000000 178.490 > 1 7 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 1 8 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 1 9 Hf 0.00000000000000 0.33333333333333 0.50000000000000 178.490 > 1 10 Hf 0.50000000000000 0.33333333333333 0.50000000000000 178.490 > 1 11 Hf 0.00000000000000 0.66666666666667 0.50000000000000 178.490 > 1 12 Hf 0.50000000000000 0.66666666666667 0.50000000000000 178.490 > 1 13 Hf 0.00000000000000 0.16666666666667 0.25000000000000 178.490 > 13 14 Hf 0.50000000000000 0.16666666666667 0.25000000000000 178.490 > 13 15 Hf 0.00000000000000 0.50000000000000 0.25000000000000 178.490 > 13 16 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 13 17 Hf 0.00000000000000 0.83333333333333 0.25000000000000 178.490 > 13 18 Hf 0.50000000000000 0.83333333333333 0.25000000000000 178.490 > 13 19 Hf 0.00000000000000 0.16666666666667 0.75000000000000 178.490 > 13 20 Hf 0.50000000000000 0.16666666666667 0.75000000000000 178.490 > 13 21 Hf 0.00000000000000 0.50000000000000 0.75000000000000 178.490 > 13 22 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 13 23 Hf 0.00000000000000 0.83333333333333 0.75000000000000 178.490 > 13 24 Hf 0.50000000000000 0.83333333333333 0.75000000000000 178.490 > 13 25 Zr 0.25000000000000 0.16666666666667 0.00000000000000 91.224 > 25 26 Zr 0.75000000000000 0.16666666666667 0.00000000000000 91.224 > 25 27 Zr 0.25000000000000 0.50000000000000 0.00000000000000 91.224 > 25 28 Zr 0.75000000000000 0.50000000000000 0.00000000000000 91.224 > 25 29 Zr 0.25000000000000 0.83333333333333 0.00000000000000 91.224 > 25 30 Zr 0.75000000000000 0.83333333333333 0.00000000000000 91.224 > 25 31 Zr 0.25000000000000 0.16666666666667 0.50000000000000 91.224 > 25 32 Zr 0.75000000000000 0.16666666666667 0.50000000000000 91.224 > 25 33 Zr 0.25000000000000 0.50000000000000 0.50000000000000 91.224 > 25 34 Zr 0.75000000000000 0.50000000000000 0.50000000000000 91.224 > 25 35 Zr 0.25000000000000 0.83333333333333 0.50000000000000 91.224 > 25 36 Zr 0.75000000000000 0.83333333333333 0.50000000000000 91.224 > 25 37 Zr 0.25000000000000 0.00000000000000 0.25000000000000 91.224 > 37 38 Zr 0.75000000000000 0.00000000000000 0.25000000000000 91.224 > 37 39 Zr 0.25000000000000 0.33333333333333 0.25000000000000 91.224 > 37 40 Zr 0.75000000000000 0.33333333333333 0.25000000000000 91.224 > 37 41 Zr 0.25000000000000 0.66666666666667 0.25000000000000 91.224 > 37 42 Zr 0.75000000000000 0.66666666666667 0.25000000000000 91.224 > 37 43 Zr 0.25000000000000 0.00000000000000 0.75000000000000 91.224 > 37 44 Zr 0.75000000000000 0.00000000000000 0.75000000000000 91.224 > 37 45 Zr 0.25000000000000 0.33333333333333 0.75000000000000 91.224 > 37 46 Zr 0.75000000000000 0.33333333333333 0.75000000000000 91.224 > 37 47 Zr 0.25000000000000 0.66666666666667 0.75000000000000 91.224 > 37 48 Zr 0.75000000000000 0.66666666666667 0.75000000000000 91.224 > 37 49 O 0.42484111288365 0.10111468266154 0.07766151101313 15.999 > 49 50 O 0.92484111288365 0.10111468266154 0.07766151101313 15.999 > 49 51 O 0.42484111288365 0.43444801599487 0.07766151101313 15.999 > 49 52 O 0.92484111288365 0.43444801599487 0.07766151101313 15.999 > 49 53 O 0.42484111288365 0.76778134932820 0.07766151101313 15.999 > 49 54 O 0.92484111288365 0.76778134932820 0.07766151101313 15.999 > 49 55 O 0.42484111288365 0.10111468266154 0.57766151101313 15.999 > 49 56 O 0.92484111288365 0.10111468266154 0.57766151101313 15.999 > 49 57 O 0.42484111288365 0.43444801599487 0.57766151101313 15.999 > 49 58 O 0.92484111288365 0.43444801599487 0.57766151101313 15.999 > 49 59 O 0.42484111288365 0.76778134932820 0.57766151101313 15.999 > 49 60 O 0.92484111288365 0.76778134932820 0.57766151101313 15.999 > 49 61 O 0.42484111288365 0.06555198400513 0.32766151101313 15.999 > 61 62 O 0.92484111288365 0.06555198400513 0.32766151101313 15.999 > 61 63 O 0.42484111288365 0.39888531733846 0.32766151101313 15.999 > 61 64 O 0.92484111288365 0.39888531733846 0.32766151101313 15.999 > 61 65 O 0.42484111288365 0.73221865067180 0.32766151101313 15.999 > 61 66 O 0.92484111288365 0.73221865067180 0.32766151101313 15.999 > 61 67 O 0.42484111288365 0.06555198400513 0.82766151101313 15.999 > 61 68 O 0.92484111288365 0.06555198400513 0.82766151101313 15.999 > 61 69 O 0.42484111288365 0.39888531733846 0.82766151101313 15.999 > 61 70 O 0.92484111288365 0.39888531733846 0.82766151101313 15.999 > 61 71 O 0.42484111288365 0.73221865067180 0.82766151101313 15.999 > 61 72 O 0.92484111288365 0.73221865067180 0.82766151101313 15.999 > 61 73 O 0.32743441703777 0.23075343678877 0.17501373403354 15.999 > 73 74 O 0.82743441703777 0.23075343678877 0.17501373403354 15.999 > 73 75 O 0.32743441703777 0.56408677012210 0.17501373403354 15.999 > 73 76 O 0.82743441703777 0.56408677012210 0.17501373403354 15.999 > 73 77 O 0.32743441703777 0.89742010345543 0.17501373403354 15.999 > 73 78 O 0.82743441703777 0.89742010345543 0.17501373403354 15.999 > 73 79 O 0.32743441703777 0.23075343678877 0.67501373403354 15.999 > 73 80 O 0.82743441703777 0.23075343678877 0.67501373403354 15.999 > 73 81 O 0.32743441703777 0.56408677012210 0.67501373403354 15.999 > 73 82 O 0.82743441703777 0.56408677012210 0.67501373403354 15.999 > 73 83 O 0.32743441703777 0.89742010345543 0.67501373403354 15.999 > 73 84 O 0.82743441703777 0.89742010345543 0.67501373403354 15.999 > 73 85 O 0.32743441703777 0.26924656321123 0.42501373403354 15.999 > 85 86 O 0.82743441703777 0.26924656321123 0.42501373403354 15.999 > 85 87 O 0.32743441703777 0.60257989654457 0.42501373403354 15.999 > 85 88 O 0.82743441703777 0.60257989654457 0.42501373403354 15.999 > 85 89 O 0.32743441703777 0.93591322987790 0.42501373403354 15.999 > 85 90 O 0.82743441703777 0.93591322987790 0.42501373403354 15.999 > 85 91 O 0.32743441703777 0.26924656321123 0.92501373403354 15.999 > 85 92 O 0.82743441703777 0.26924656321123 0.92501373403354 15.999 > 85 93 O 0.32743441703777 0.60257989654457 0.92501373403354 15.999 > 85 94 O 0.82743441703777 0.60257989654457 0.92501373403354 15.999 > 85 95 O 0.32743441703777 0.93591322987790 0.92501373403354 15.999 > 85 96 O 0.82743441703777 0.93591322987790 0.92501373403354 15.999 > 85 97 O 0.17256558296223 0.06408677012210 0.07498626596646 15.999 > 97 98 O 0.67256558296223 0.06408677012210 0.07498626596646 15.999 > 97 99 O 0.17256558296223 0.39742010345543 0.07498626596646 15.999 > 97 100 O 0.67256558296223 0.39742010345543 0.07498626596646 15.999 > 97 101 O 0.17256558296223 0.73075343678877 0.07498626596646 15.999 > 97 102 O 0.67256558296223 0.73075343678877 0.07498626596646 15.999 > 97 103 O 0.17256558296223 0.06408677012210 0.57498626596646 15.999 > 97 104 O 0.67256558296223 0.06408677012210 0.57498626596646 15.999 > 97 105 O 0.17256558296223 0.39742010345543 0.57498626596646 15.999 > 97 106 O 0.67256558296223 0.39742010345543 0.57498626596646 15.999 > 97 107 O 0.17256558296223 0.73075343678877 0.57498626596646 15.999 > 97 108 O 0.67256558296223 0.73075343678877 0.57498626596646 15.999 > 97 109 O 0.17256558296223 0.10257989654457 0.32498626596646 15.999 > 109 110 O 0.67256558296223 0.10257989654457 0.32498626596646 15.999 > 109 111 O 0.17256558296223 0.43591322987790 0.32498626596646 15.999 > 109 112 O 0.67256558296223 0.43591322987790 0.32498626596646 15.999 > 109 113 O 0.17256558296223 0.76924656321123 0.32498626596646 15.999 > 109 114 O 0.67256558296223 0.76924656321123 0.32498626596646 15.999 > 109 115 O 0.17256558296223 0.10257989654457 0.82498626596646 15.999 > 109 116 O 0.67256558296223 0.10257989654457 0.82498626596646 15.999 > 109 117 O 0.17256558296223 0.43591322987790 0.82498626596646 15.999 > 109 118 O 0.67256558296223 0.43591322987790 0.82498626596646 15.999 > 109 119 O 0.17256558296223 0.76924656321123 0.82498626596646 15.999 > 109 120 O 0.67256558296223 0.76924656321123 0.82498626596646 15.999 > 109 121 O 0.07515888711635 0.26778134932820 0.17233848898687 15.999 > 121 122 O 0.57515888711635 0.26778134932820 0.17233848898687 15.999 > 121 123 O 0.07515888711635 0.60111468266154 0.17233848898687 15.999 > 121 124 O 0.57515888711635 0.60111468266154 0.17233848898687 15.999 > 121 125 O 0.07515888711635 0.93444801599487 0.17233848898687 15.999 > 121 126 O 0.57515888711635 0.93444801599487 0.17233848898687 15.999 > 121 127 O 0.07515888711635 0.26778134932820 0.67233848898687 15.999 > 121 128 O 0.57515888711635 0.26778134932820 0.67233848898687 15.999 > 121 129 O 0.07515888711635 0.60111468266154 0.67233848898687 15.999 > 121 130 O 0.57515888711635 0.60111468266154 0.67233848898687 15.999 > 121 131 O 0.07515888711635 0.93444801599487 0.67233848898687 15.999 > 121 132 O 0.57515888711635 0.93444801599487 0.67233848898687 15.999 > 121 133 O 0.07515888711635 0.23221865067180 0.42233848898687 15.999 > 133 134 O 0.57515888711635 0.23221865067180 0.42233848898687 15.999 > 133 135 O 0.07515888711635 0.56555198400513 0.42233848898687 15.999 > 133 136 O 0.57515888711635 0.56555198400513 0.42233848898687 15.999 > 133 137 O 0.07515888711635 0.89888531733846 0.42233848898687 15.999 > 133 138 O 0.57515888711635 0.89888531733846 0.42233848898687 15.999 > 133 139 O 0.07515888711635 0.23221865067180 0.92233848898687 15.999 > 133 140 O 0.57515888711635 0.23221865067180 0.92233848898687 15.999 > 133 141 O 0.07515888711635 0.56555198400513 0.92233848898687 15.999 > 133 142 O 0.57515888711635 0.56555198400513 0.92233848898687 15.999 > 133 143 O 0.07515888711635 0.89888531733846 0.92233848898687 15.999 > 133 144 O 0.57515888711635 0.89888531733846 0.92233848898687 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9241045 0.0000000 0.2826051 0.0000000 4.7341144 0.0000000 0.2826041 0.0000000 5.1609709 -------------------------- Born effective charges -------------------------- 1 Hf 5.7223990 -0.5811583 0.4764483 -0.4973330 5.3266196 0.4715350 0.4890637 0.3183193 5.9592847 2 Hf 5.7223990 0.5811583 0.4764483 0.4973330 5.3266196 -0.4715350 0.4890637 -0.3183193 5.9592847 3 Zr 5.7226972 0.5215637 0.3783268 0.5973256 5.5519386 -0.2526329 0.3666738 -0.4122272 6.2049690 4 Zr 5.7226972 -0.5215637 0.3783268 -0.5973256 5.5519386 0.2526329 0.3666738 0.4122272 6.2049690 5 O -2.8628245 1.1358588 -0.2439768 1.1366402 -2.6832082 -0.7439892 -0.2367354 -0.7332848 -3.0077199 6 O -2.8628245 -1.1358588 -0.2439768 -1.1366402 -2.6832082 0.7439892 -0.2367354 0.7332848 -3.0077199 7 O -2.8597236 1.1785187 -0.1834108 1.1774382 -2.7560709 -0.8033125 -0.1911334 -0.8135974 -3.0744070 8 O -2.8597236 -1.1785187 -0.1834108 -1.1774382 -2.7560709 0.8033125 -0.1911334 0.8135974 -3.0744070 9 O -2.8597236 -1.1785187 -0.1834108 -1.1774382 -2.7560709 0.8033125 -0.1911334 0.8135974 -3.0744070 10 O -2.8597236 1.1785187 -0.1834108 1.1774382 -2.7560709 -0.8033125 -0.1911334 -0.8135974 -3.0744070 11 O -2.8628245 -1.1358588 -0.2439768 -1.1366402 -2.6832082 0.7439892 -0.2367354 0.7332848 -3.0077199 12 O -2.8628245 1.1358588 -0.2439768 1.1366402 -2.6832082 -0.7439892 -0.2367354 -0.7332848 -3.0077199 ---------------------------------------------------------------------------- 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 25, 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:19:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:19:57]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.806556850058973 0.000000000000000 0.000000000000000 b 0.000000000000000 4.832557199999998 0.000000000000000 c -2.231199015147934 0.000000000000000 5.359444146010092 Atomic positions (fractional): 1 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 2 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 3 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 4 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 5 O 0.84968222576731 0.30334404798461 0.15532302202625 15.999 6 O 0.84968222576731 0.19665595201539 0.65532302202625 15.999 7 O 0.65486883407553 0.69226031036630 0.35002746806707 15.999 8 O 0.65486883407553 0.80773968963370 0.85002746806707 15.999 9 O 0.34513116592447 0.19226031036630 0.14997253193293 15.999 10 O 0.34513116592447 0.30773968963370 0.64997253193293 15.999 11 O 0.15031777423269 0.80334404798461 0.34467697797375 15.999 12 O 0.15031777423269 0.69665595201539 0.84467697797375 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.613113700117946 0.000000000000000 0.000000000000000 b 0.000000000000000 14.497671599999995 0.000000000000000 c -4.462398030295868 0.000000000000000 10.718888292020184 Atomic positions (fractional): 1 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 1 2 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 1 3 Hf 0.00000000000000 0.33333333333333 0.00000000000000 178.490 > 1 4 Hf 0.50000000000000 0.33333333333333 0.00000000000000 178.490 > 1 5 Hf 0.00000000000000 0.66666666666667 0.00000000000000 178.490 > 1 6 Hf 0.50000000000000 0.66666666666667 0.00000000000000 178.490 > 1 7 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 1 8 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 1 9 Hf 0.00000000000000 0.33333333333333 0.50000000000000 178.490 > 1 10 Hf 0.50000000000000 0.33333333333333 0.50000000000000 178.490 > 1 11 Hf 0.00000000000000 0.66666666666667 0.50000000000000 178.490 > 1 12 Hf 0.50000000000000 0.66666666666667 0.50000000000000 178.490 > 1 13 Hf 0.00000000000000 0.16666666666667 0.25000000000000 178.490 > 13 14 Hf 0.50000000000000 0.16666666666667 0.25000000000000 178.490 > 13 15 Hf 0.00000000000000 0.50000000000000 0.25000000000000 178.490 > 13 16 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 13 17 Hf 0.00000000000000 0.83333333333333 0.25000000000000 178.490 > 13 18 Hf 0.50000000000000 0.83333333333333 0.25000000000000 178.490 > 13 19 Hf 0.00000000000000 0.16666666666667 0.75000000000000 178.490 > 13 20 Hf 0.50000000000000 0.16666666666667 0.75000000000000 178.490 > 13 21 Hf 0.00000000000000 0.50000000000000 0.75000000000000 178.490 > 13 22 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 13 23 Hf 0.00000000000000 0.83333333333333 0.75000000000000 178.490 > 13 24 Hf 0.50000000000000 0.83333333333333 0.75000000000000 178.490 > 13 25 Zr 0.25000000000000 0.16666666666667 0.00000000000000 91.224 > 25 26 Zr 0.75000000000000 0.16666666666667 0.00000000000000 91.224 > 25 27 Zr 0.25000000000000 0.50000000000000 0.00000000000000 91.224 > 25 28 Zr 0.75000000000000 0.50000000000000 0.00000000000000 91.224 > 25 29 Zr 0.25000000000000 0.83333333333333 0.00000000000000 91.224 > 25 30 Zr 0.75000000000000 0.83333333333333 0.00000000000000 91.224 > 25 31 Zr 0.25000000000000 0.16666666666667 0.50000000000000 91.224 > 25 32 Zr 0.75000000000000 0.16666666666667 0.50000000000000 91.224 > 25 33 Zr 0.25000000000000 0.50000000000000 0.50000000000000 91.224 > 25 34 Zr 0.75000000000000 0.50000000000000 0.50000000000000 91.224 > 25 35 Zr 0.25000000000000 0.83333333333333 0.50000000000000 91.224 > 25 36 Zr 0.75000000000000 0.83333333333333 0.50000000000000 91.224 > 25 37 Zr 0.25000000000000 0.00000000000000 0.25000000000000 91.224 > 37 38 Zr 0.75000000000000 0.00000000000000 0.25000000000000 91.224 > 37 39 Zr 0.25000000000000 0.33333333333333 0.25000000000000 91.224 > 37 40 Zr 0.75000000000000 0.33333333333333 0.25000000000000 91.224 > 37 41 Zr 0.25000000000000 0.66666666666667 0.25000000000000 91.224 > 37 42 Zr 0.75000000000000 0.66666666666667 0.25000000000000 91.224 > 37 43 Zr 0.25000000000000 0.00000000000000 0.75000000000000 91.224 > 37 44 Zr 0.75000000000000 0.00000000000000 0.75000000000000 91.224 > 37 45 Zr 0.25000000000000 0.33333333333333 0.75000000000000 91.224 > 37 46 Zr 0.75000000000000 0.33333333333333 0.75000000000000 91.224 > 37 47 Zr 0.25000000000000 0.66666666666667 0.75000000000000 91.224 > 37 48 Zr 0.75000000000000 0.66666666666667 0.75000000000000 91.224 > 37 49 O 0.42484111288365 0.10111468266154 0.07766151101313 15.999 > 49 50 O 0.92484111288365 0.10111468266154 0.07766151101313 15.999 > 49 51 O 0.42484111288365 0.43444801599487 0.07766151101313 15.999 > 49 52 O 0.92484111288365 0.43444801599487 0.07766151101313 15.999 > 49 53 O 0.42484111288365 0.76778134932820 0.07766151101313 15.999 > 49 54 O 0.92484111288365 0.76778134932820 0.07766151101313 15.999 > 49 55 O 0.42484111288365 0.10111468266154 0.57766151101313 15.999 > 49 56 O 0.92484111288365 0.10111468266154 0.57766151101313 15.999 > 49 57 O 0.42484111288365 0.43444801599487 0.57766151101313 15.999 > 49 58 O 0.92484111288365 0.43444801599487 0.57766151101313 15.999 > 49 59 O 0.42484111288365 0.76778134932820 0.57766151101313 15.999 > 49 60 O 0.92484111288365 0.76778134932820 0.57766151101313 15.999 > 49 61 O 0.42484111288365 0.06555198400513 0.32766151101313 15.999 > 61 62 O 0.92484111288365 0.06555198400513 0.32766151101313 15.999 > 61 63 O 0.42484111288365 0.39888531733846 0.32766151101313 15.999 > 61 64 O 0.92484111288365 0.39888531733846 0.32766151101313 15.999 > 61 65 O 0.42484111288365 0.73221865067180 0.32766151101313 15.999 > 61 66 O 0.92484111288365 0.73221865067180 0.32766151101313 15.999 > 61 67 O 0.42484111288365 0.06555198400513 0.82766151101313 15.999 > 61 68 O 0.92484111288365 0.06555198400513 0.82766151101313 15.999 > 61 69 O 0.42484111288365 0.39888531733846 0.82766151101313 15.999 > 61 70 O 0.92484111288365 0.39888531733846 0.82766151101313 15.999 > 61 71 O 0.42484111288365 0.73221865067180 0.82766151101313 15.999 > 61 72 O 0.92484111288365 0.73221865067180 0.82766151101313 15.999 > 61 73 O 0.32743441703777 0.23075343678877 0.17501373403354 15.999 > 73 74 O 0.82743441703777 0.23075343678877 0.17501373403354 15.999 > 73 75 O 0.32743441703777 0.56408677012210 0.17501373403354 15.999 > 73 76 O 0.82743441703777 0.56408677012210 0.17501373403354 15.999 > 73 77 O 0.32743441703777 0.89742010345543 0.17501373403354 15.999 > 73 78 O 0.82743441703777 0.89742010345543 0.17501373403354 15.999 > 73 79 O 0.32743441703777 0.23075343678877 0.67501373403354 15.999 > 73 80 O 0.82743441703777 0.23075343678877 0.67501373403354 15.999 > 73 81 O 0.32743441703777 0.56408677012210 0.67501373403354 15.999 > 73 82 O 0.82743441703777 0.56408677012210 0.67501373403354 15.999 > 73 83 O 0.32743441703777 0.89742010345543 0.67501373403354 15.999 > 73 84 O 0.82743441703777 0.89742010345543 0.67501373403354 15.999 > 73 85 O 0.32743441703777 0.26924656321123 0.42501373403354 15.999 > 85 86 O 0.82743441703777 0.26924656321123 0.42501373403354 15.999 > 85 87 O 0.32743441703777 0.60257989654457 0.42501373403354 15.999 > 85 88 O 0.82743441703777 0.60257989654457 0.42501373403354 15.999 > 85 89 O 0.32743441703777 0.93591322987790 0.42501373403354 15.999 > 85 90 O 0.82743441703777 0.93591322987790 0.42501373403354 15.999 > 85 91 O 0.32743441703777 0.26924656321123 0.92501373403354 15.999 > 85 92 O 0.82743441703777 0.26924656321123 0.92501373403354 15.999 > 85 93 O 0.32743441703777 0.60257989654457 0.92501373403354 15.999 > 85 94 O 0.82743441703777 0.60257989654457 0.92501373403354 15.999 > 85 95 O 0.32743441703777 0.93591322987790 0.92501373403354 15.999 > 85 96 O 0.82743441703777 0.93591322987790 0.92501373403354 15.999 > 85 97 O 0.17256558296223 0.06408677012210 0.07498626596646 15.999 > 97 98 O 0.67256558296223 0.06408677012210 0.07498626596646 15.999 > 97 99 O 0.17256558296223 0.39742010345543 0.07498626596646 15.999 > 97 100 O 0.67256558296223 0.39742010345543 0.07498626596646 15.999 > 97 101 O 0.17256558296223 0.73075343678877 0.07498626596646 15.999 > 97 102 O 0.67256558296223 0.73075343678877 0.07498626596646 15.999 > 97 103 O 0.17256558296223 0.06408677012210 0.57498626596646 15.999 > 97 104 O 0.67256558296223 0.06408677012210 0.57498626596646 15.999 > 97 105 O 0.17256558296223 0.39742010345543 0.57498626596646 15.999 > 97 106 O 0.67256558296223 0.39742010345543 0.57498626596646 15.999 > 97 107 O 0.17256558296223 0.73075343678877 0.57498626596646 15.999 > 97 108 O 0.67256558296223 0.73075343678877 0.57498626596646 15.999 > 97 109 O 0.17256558296223 0.10257989654457 0.32498626596646 15.999 > 109 110 O 0.67256558296223 0.10257989654457 0.32498626596646 15.999 > 109 111 O 0.17256558296223 0.43591322987790 0.32498626596646 15.999 > 109 112 O 0.67256558296223 0.43591322987790 0.32498626596646 15.999 > 109 113 O 0.17256558296223 0.76924656321123 0.32498626596646 15.999 > 109 114 O 0.67256558296223 0.76924656321123 0.32498626596646 15.999 > 109 115 O 0.17256558296223 0.10257989654457 0.82498626596646 15.999 > 109 116 O 0.67256558296223 0.10257989654457 0.82498626596646 15.999 > 109 117 O 0.17256558296223 0.43591322987790 0.82498626596646 15.999 > 109 118 O 0.67256558296223 0.43591322987790 0.82498626596646 15.999 > 109 119 O 0.17256558296223 0.76924656321123 0.82498626596646 15.999 > 109 120 O 0.67256558296223 0.76924656321123 0.82498626596646 15.999 > 109 121 O 0.07515888711635 0.26778134932820 0.17233848898687 15.999 > 121 122 O 0.57515888711635 0.26778134932820 0.17233848898687 15.999 > 121 123 O 0.07515888711635 0.60111468266154 0.17233848898687 15.999 > 121 124 O 0.57515888711635 0.60111468266154 0.17233848898687 15.999 > 121 125 O 0.07515888711635 0.93444801599487 0.17233848898687 15.999 > 121 126 O 0.57515888711635 0.93444801599487 0.17233848898687 15.999 > 121 127 O 0.07515888711635 0.26778134932820 0.67233848898687 15.999 > 121 128 O 0.57515888711635 0.26778134932820 0.67233848898687 15.999 > 121 129 O 0.07515888711635 0.60111468266154 0.67233848898687 15.999 > 121 130 O 0.57515888711635 0.60111468266154 0.67233848898687 15.999 > 121 131 O 0.07515888711635 0.93444801599487 0.67233848898687 15.999 > 121 132 O 0.57515888711635 0.93444801599487 0.67233848898687 15.999 > 121 133 O 0.07515888711635 0.23221865067180 0.42233848898687 15.999 > 133 134 O 0.57515888711635 0.23221865067180 0.42233848898687 15.999 > 133 135 O 0.07515888711635 0.56555198400513 0.42233848898687 15.999 > 133 136 O 0.57515888711635 0.56555198400513 0.42233848898687 15.999 > 133 137 O 0.07515888711635 0.89888531733846 0.42233848898687 15.999 > 133 138 O 0.57515888711635 0.89888531733846 0.42233848898687 15.999 > 133 139 O 0.07515888711635 0.23221865067180 0.92233848898687 15.999 > 133 140 O 0.57515888711635 0.23221865067180 0.92233848898687 15.999 > 133 141 O 0.07515888711635 0.56555198400513 0.92233848898687 15.999 > 133 142 O 0.57515888711635 0.56555198400513 0.92233848898687 15.999 > 133 143 O 0.07515888711635 0.89888531733846 0.92233848898687 15.999 > 133 144 O 0.57515888711635 0.89888531733846 0.92233848898687 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9241045 0.0000000 0.2826051 0.0000000 4.7341144 0.0000000 0.2826041 0.0000000 5.1609709 -------------------------- Born effective charges -------------------------- 1 Hf 5.7223990 -0.5811583 0.4764483 -0.4973330 5.3266196 0.4715350 0.4890637 0.3183193 5.9592847 2 Hf 5.7223990 0.5811583 0.4764483 0.4973330 5.3266196 -0.4715350 0.4890637 -0.3183193 5.9592847 3 Zr 5.7226972 0.5215637 0.3783268 0.5973256 5.5519386 -0.2526329 0.3666738 -0.4122272 6.2049690 4 Zr 5.7226972 -0.5215637 0.3783268 -0.5973256 5.5519386 0.2526329 0.3666738 0.4122272 6.2049690 5 O -2.8628245 1.1358588 -0.2439768 1.1366402 -2.6832082 -0.7439892 -0.2367354 -0.7332848 -3.0077199 6 O -2.8628245 -1.1358588 -0.2439768 -1.1366402 -2.6832082 0.7439892 -0.2367354 0.7332848 -3.0077199 7 O -2.8597236 1.1785187 -0.1834108 1.1774382 -2.7560709 -0.8033125 -0.1911334 -0.8135974 -3.0744070 8 O -2.8597236 -1.1785187 -0.1834108 -1.1774382 -2.7560709 0.8033125 -0.1911334 0.8135974 -3.0744070 9 O -2.8597236 -1.1785187 -0.1834108 -1.1774382 -2.7560709 0.8033125 -0.1911334 0.8135974 -3.0744070 10 O -2.8597236 1.1785187 -0.1834108 1.1774382 -2.7560709 -0.8033125 -0.1911334 -0.8135974 -3.0744070 11 O -2.8628245 -1.1358588 -0.2439768 -1.1366402 -2.6832082 0.7439892 -0.2367354 0.7332848 -3.0077199 12 O -2.8628245 1.1358588 -0.2439768 1.1366402 -2.6832082 -0.7439892 -0.2367354 -0.7332848 -3.0077199 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 10 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: 0.78, Number of G-points: 301, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/246) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 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 2.633 ( 0.000 0.000 0.000) 0.000 2.642 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 6.006 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 7.566 ( 0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 8.275 ( 0.000 0.000 0.000) 0.000 8.481 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 9.566 ( 0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 11.294 ( 0.000 0.000 0.000) 0.000 12.139 ( 0.000 0.000 0.000) 0.000 12.150 ( 0.000 0.000 0.000) 0.000 12.374 ( 0.000 0.000 0.000) 0.000 13.518 ( 0.000 0.000 0.000) 0.000 13.589 ( 0.000 0.000 0.000) 0.000 14.074 ( 0.000 0.000 0.000) 0.000 14.146 ( 0.000 0.000 0.000) 0.000 15.312 ( 0.000 0.000 0.000) 0.000 15.447 ( 0.000 0.000 0.000) 0.000 16.658 ( 0.000 0.000 0.000) 0.000 16.661 ( 0.000 0.000 0.000) 0.000 18.439 ( 0.000 0.000 0.000) 0.000 19.907 ( 0.000 0.000 0.000) 0.000 19.939 ( 0.000 0.000 0.000) 0.000 23.513 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/246) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 34.374 0.000 7.872) 35.264 0.876 ( 39.762 0.000 8.311) 40.621 1.578 ( 60.896 0.000 48.143) 77.628 2.755 ( 5.429 0.000 9.418) 10.871 2.801 ( 11.281 0.000 10.410) 15.350 3.371 ( 14.102 0.000 20.194) 24.630 3.586 ( 9.161 0.000 2.845) 9.592 3.829 ( 7.478 0.000 -2.110) 7.770 3.865 ( 5.296 0.000 0.490) 5.319 6.119 ( 9.849 0.000 2.240) 10.101 6.201 ( 0.640 0.000 -10.493) 10.512 6.497 ( 13.682 0.000 -2.151) 13.850 6.526 ( 22.113 0.000 -39.687) 45.432 7.486 ( -6.542 0.000 -3.585) 7.460 7.663 ( -4.746 0.000 -4.306) 6.408 8.436 ( -5.044 0.000 -1.144) 5.172 8.497 ( 2.539 0.000 -0.522) 2.593 9.267 ( -10.272 0.000 -2.020) 10.469 9.592 ( -3.753 0.000 -6.648) 7.634 11.235 ( -4.817 0.000 -3.168) 5.765 12.124 ( -3.960 0.000 3.836) 5.513 12.175 ( 2.293 0.000 2.685) 3.531 12.491 ( 2.891 0.000 21.113) 21.310 12.652 ( -49.467 0.000 116.805) 126.848 13.421 ( -2.990 0.000 -13.161) 13.496 14.141 ( 0.547 0.000 -2.184) 2.252 14.164 ( 6.572 0.000 3.434) 7.415 15.231 ( -6.419 0.000 -3.414) 7.270 15.406 ( -3.175 0.000 -2.183) 3.853 16.541 ( -11.969 0.000 -0.222) 11.971 16.735 ( 10.105 0.000 -3.500) 10.694 18.396 ( -3.763 0.000 -1.455) 4.034 19.961 ( 0.232 0.000 4.431) 4.437 20.071 ( 14.584 0.000 4.753) 15.339 21.059 ( 22.633 0.000 -58.088) 62.342 23.444 ( -4.595 0.000 -6.400) 7.879 ======================= Grid point 2 (3/246) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 29.725 0.000 3.782) 29.965 1.617 ( 32.235 0.000 3.474) 32.422 2.904 ( 3.013 0.000 22.975) 23.171 3.085 ( 51.876 0.000 35.268) 62.729 3.105 ( 5.313 0.000 16.921) 17.736 3.810 ( 16.135 0.000 8.069) 18.040 3.869 ( 16.621 0.000 6.583) 17.877 4.055 ( 18.655 0.000 -2.751) 18.857 4.207 ( 23.691 0.000 23.904) 33.655 6.073 ( -7.380 0.000 -5.258) 9.062 6.358 ( 10.225 0.000 5.029) 11.394 6.689 ( 19.841 0.000 -21.880) 29.537 6.787 ( 18.249 0.000 -8.252) 20.028 7.287 ( -8.819 0.000 -6.429) 10.914 7.489 ( -10.000 0.000 -2.449) 10.295 8.285 ( -9.382 0.000 -1.843) 9.561 8.599 ( 8.177 0.000 0.837) 8.220 8.947 ( -18.005 0.000 -10.091) 20.640 9.422 ( -6.053 0.000 -9.249) 11.053 11.063 ( -9.208 0.000 -6.158) 11.078 12.079 ( -4.652 0.000 6.805) 8.243 12.249 ( 1.762 0.000 4.490) 4.823 12.625 ( -23.189 0.000 50.802) 55.844 12.758 ( -0.789 0.000 31.410) 31.420 13.287 ( 5.087 0.000 -15.351) 16.172 14.138 ( 1.243 0.000 -2.290) 2.606 14.335 ( 7.971 0.000 2.687) 8.412 15.043 ( -8.495 0.000 -6.038) 10.422 15.301 ( -3.964 0.000 -5.890) 7.100 16.228 ( -19.636 0.000 -0.391) 19.640 16.948 ( 14.905 0.000 -4.783) 15.654 18.275 ( -7.316 0.000 -2.041) 7.595 20.010 ( -0.110 0.000 6.937) 6.938 20.504 ( 23.837 0.000 8.918) 25.451 21.021 ( 10.093 0.000 -29.602) 31.275 23.234 ( -9.883 0.000 -11.512) 15.172 ======================= Grid point 3 (4/246) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 22.509 0.000 -0.854) 22.525 2.153 ( 22.532 0.000 -1.011) 22.555 2.968 ( -6.681 0.000 14.338) 15.818 3.213 ( -5.601 0.000 13.957) 15.039 4.113 ( 21.400 0.000 15.883) 26.650 4.201 ( 20.291 0.000 1.535) 20.349 4.394 ( 27.000 0.000 0.796) 27.012 4.580 ( 38.805 0.000 24.723) 46.011 4.980 ( 27.843 0.000 35.832) 45.378 5.849 ( -11.431 0.000 -3.602) 11.985 6.498 ( -1.217 0.000 1.868) 2.230 6.855 ( 8.809 0.000 -16.444) 18.655 6.945 ( 4.884 0.000 -12.975) 13.863 7.150 ( 2.923 0.000 -5.874) 6.561 7.318 ( -2.329 0.000 -0.092) 2.330 8.051 ( -13.123 0.000 -2.893) 13.438 8.444 ( -23.166 0.000 -13.311) 26.718 8.722 ( 2.336 0.000 -7.766) 8.110 9.360 ( 7.283 0.000 4.204) 8.409 10.788 ( -13.104 0.000 -8.931) 15.858 12.068 ( -2.369 0.000 7.286) 7.662 12.293 ( -1.378 0.000 5.099) 5.282 12.574 ( -12.996 0.000 23.547) 26.895 12.800 ( -5.862 0.000 1.884) 6.157 13.528 ( 15.276 0.000 19.028) 24.401 14.161 ( 2.165 0.000 0.056) 2.166 14.481 ( 6.124 0.000 -2.509) 6.618 14.832 ( -7.543 0.000 -7.009) 10.297 15.185 ( -0.676 0.000 -10.003) 10.026 15.816 ( -22.492 0.000 0.389) 22.496 17.208 ( 15.688 0.000 -4.513) 16.324 18.092 ( -10.081 0.000 -1.331) 10.168 20.057 ( -0.596 0.000 6.222) 6.251 20.981 ( 5.303 0.000 -16.973) 17.782 21.084 ( 27.029 0.000 12.035) 29.587 22.885 ( -15.625 0.000 -14.358) 21.220 ======================= Grid point 4 (5/246) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 9.963 0.000 -2.025) 10.166 2.452 ( 9.238 0.000 -1.758) 9.404 2.925 ( -5.036 0.000 6.507) 8.229 3.181 ( -4.394 0.000 5.877) 7.338 4.477 ( 8.029 0.000 7.792) 11.188 4.518 ( 9.456 0.000 0.788) 9.489 4.758 ( 13.262 0.000 -5.055) 14.192 5.426 ( 12.623 0.000 11.796) 17.277 5.706 ( 6.050 0.000 8.233) 10.217 5.727 ( 19.899 0.000 28.759) 34.973 6.320 ( -10.436 0.000 -12.872) 16.571 6.702 ( -8.195 0.000 -9.715) 12.710 6.891 ( -0.849 0.000 -4.710) 4.786 7.199 ( 3.273 0.000 -3.096) 4.505 7.462 ( 13.640 0.000 -2.014) 13.788 7.739 ( -15.016 0.000 -3.302) 15.375 7.973 ( -13.924 0.000 -5.556) 14.991 8.611 ( -2.756 0.000 -6.476) 7.038 9.697 ( 14.441 0.000 9.576) 17.328 10.448 ( -12.509 0.000 -8.402) 15.069 12.091 ( -0.267 0.000 3.397) 3.407 12.287 ( -1.687 0.000 2.305) 2.856 12.518 ( -4.703 0.000 6.552) 8.065 12.711 ( -1.602 0.000 -2.718) 3.155 13.983 ( 10.368 0.000 22.540) 24.810 14.211 ( 1.683 0.000 1.315) 2.136 14.474 ( -0.711 0.000 -12.503) 12.523 14.671 ( -3.624 0.000 -3.927) 5.344 15.170 ( 7.492 0.000 -7.876) 10.870 15.427 ( -17.710 0.000 3.436) 18.041 17.447 ( 10.446 0.000 -2.316) 10.700 17.894 ( -8.414 0.000 0.035) 8.414 20.083 ( -0.372 0.000 2.476) 2.504 20.958 ( 1.755 0.000 -5.732) 5.995 21.673 ( 21.547 0.000 11.574) 24.458 22.438 ( -17.202 0.000 -12.500) 21.264 ======================= Grid point 9 (6/246) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 0.000 34.572 0.000) 34.572 1.086 ( 0.000 50.850 0.000) 50.850 1.229 ( 0.000 57.590 0.000) 57.590 2.603 ( 0.000 -3.625 0.000) 3.625 2.614 ( 0.000 -3.341 0.000) 3.341 3.123 ( 0.000 -1.352 0.000) 1.352 3.623 ( 0.000 12.799 0.000) 12.799 3.922 ( 0.000 14.354 0.000) 14.354 3.984 ( 0.000 14.770 0.000) 14.770 6.100 ( 0.000 7.057 0.000) 7.057 6.281 ( 0.000 0.644 0.000) 0.644 6.384 ( 0.000 1.996 0.000) 1.996 7.347 ( 0.000 -3.819 0.000) 3.819 7.631 ( 0.000 -6.743 0.000) 6.743 8.295 ( 0.000 -15.682 0.000) 15.682 8.317 ( 0.000 -15.199 0.000) 15.199 8.387 ( 0.000 10.462 0.000) 10.462 9.390 ( 0.000 2.445 0.000) 2.445 9.616 ( 0.000 3.232 0.000) 3.232 9.897 ( 0.000 0.731 0.000) 0.731 11.214 ( 0.000 -6.978 0.000) 6.978 12.233 ( 0.000 3.116 0.000) 3.116 12.253 ( 0.000 9.468 0.000) 9.468 12.330 ( 0.000 -1.137 0.000) 1.137 13.741 ( 0.000 14.350 0.000) 14.350 14.070 ( 0.000 -0.372 0.000) 0.372 14.137 ( 0.000 -0.844 0.000) 0.844 15.268 ( 0.000 -4.148 0.000) 4.148 15.408 ( 0.000 -3.644 0.000) 3.644 16.466 ( 0.000 -17.346 0.000) 17.346 16.476 ( 0.000 -16.720 0.000) 16.720 18.339 ( 0.000 -9.541 0.000) 9.541 20.009 ( 0.000 8.978 0.000) 8.978 20.038 ( 0.000 8.665 0.000) 8.665 22.007 ( 0.000 3.929 0.000) 3.929 23.476 ( 0.000 -3.584 0.000) 3.584 ======================= Grid point 10 (7/246) ======================= q-point: ( 0.11 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 10.325 27.114 18.205) 34.252 1.266 ( 24.167 28.906 14.620) 40.414 2.012 ( 47.621 33.636 24.494) 63.239 2.690 ( 5.373 -4.074 5.649) 8.797 2.751 ( 12.277 -4.563 7.098) 14.897 3.366 ( 14.626 -0.745 21.583) 26.082 3.712 ( 7.947 11.803 2.189) 14.397 3.905 ( -2.786 11.135 7.077) 13.484 4.106 ( 13.658 17.843 -4.681) 22.953 6.137 ( 3.044 3.719 -1.989) 5.201 6.300 ( 1.223 3.100 2.478) 4.153 6.500 ( 15.754 2.769 -7.314) 17.589 7.016 ( -8.546 24.913 -28.079) 38.499 7.482 ( -12.441 7.489 -19.827) 24.576 7.635 ( 0.498 -3.535 -5.856) 6.859 8.272 ( -4.250 -14.655 1.918) 15.379 8.351 ( 4.718 -12.312 -0.263) 13.188 9.286 ( -10.837 0.392 -1.443) 10.940 9.595 ( -3.260 -0.305 -9.622) 10.164 11.159 ( -4.548 -6.629 -2.707) 8.482 11.594 ( 28.373 -50.044 90.807) 107.496 12.159 ( -7.593 4.127 7.690) 11.569 12.349 ( 7.217 4.113 6.970) 10.844 12.440 ( 4.107 -1.462 14.818) 15.446 13.582 ( -16.592 12.844 0.579) 20.990 14.059 ( 4.161 -2.595 -5.713) 7.529 14.155 ( 3.096 1.042 -0.606) 3.322 15.186 ( -6.657 -4.316 -2.935) 8.459 15.344 ( -4.721 -4.899 -2.546) 7.265 16.343 ( -11.461 -17.220 1.450) 20.736 16.593 ( 12.900 -14.102 -7.394) 20.493 18.319 ( -3.205 -8.945 -0.303) 9.506 20.041 ( -0.561 7.059 8.665) 11.190 20.187 ( 13.914 9.654 2.690) 17.147 21.576 ( -7.328 25.838 -41.121) 49.115 23.406 ( -4.660 -3.671 -6.462) 8.772 ======================= Grid point 11 (8/246) ======================= q-point: ( 0.22 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 17.862 7.641 9.690) 21.710 1.867 ( 27.106 17.781 4.297) 32.702 2.696 ( -0.057 -12.457 15.217) 19.666 3.125 ( 20.350 -3.201 15.254) 25.633 3.328 ( 42.958 15.855 26.593) 52.953 3.792 ( 7.165 8.447 11.905) 16.261 3.971 ( 16.116 7.161 11.104) 20.840 4.076 ( 16.539 3.155 17.285) 24.130 4.436 ( 22.046 16.562 3.123) 27.751 6.072 ( -7.070 0.436 -2.418) 7.484 6.460 ( 11.315 6.452 2.134) 13.199 6.781 ( 18.096 4.991 -15.261) 24.193 6.845 ( 2.169 5.665 -8.440) 10.393 7.214 ( -4.378 1.211 -9.409) 10.449 7.548 ( -4.594 2.309 -5.966) 7.876 8.168 ( -7.987 -10.651 1.428) 13.390 8.489 ( 7.657 -8.142 -0.030) 11.177 8.991 ( -14.000 1.614 -7.440) 15.936 9.396 ( -7.143 -2.474 -12.179) 14.335 11.000 ( -8.657 -5.659 -5.506) 11.716 12.074 ( -2.865 -0.519 6.321) 6.959 12.184 ( -6.052 -10.872 31.073) 33.472 12.508 ( -0.644 2.361 14.971) 15.170 12.868 ( 9.375 -3.191 43.952) 45.054 13.233 ( -10.767 1.938 -13.338) 17.250 14.084 ( 1.319 -5.382 -1.555) 5.755 14.282 ( 9.037 0.553 -0.200) 9.056 14.999 ( -8.334 -4.299 -6.106) 11.190 15.217 ( -4.907 -6.844 -4.828) 9.707 16.058 ( -17.453 -14.713 -2.189) 22.932 16.827 ( 17.029 -11.875 -7.402) 22.041 18.202 ( -8.280 -8.137 -0.680) 11.629 20.111 ( -0.410 8.264 10.470) 13.345 20.583 ( 21.920 6.978 8.344) 24.471 21.249 ( 1.439 17.969 -31.465) 36.263 23.195 ( -9.856 -3.781 -11.572) 15.664 ======================= Grid point 12 (9/246) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 17.239 -4.456 1.164) 17.844 2.276 ( 10.482 3.984 1.529) 11.318 2.804 ( 5.454 -4.861 9.386) 11.894 3.458 ( -4.865 15.342 17.679) 23.907 3.866 ( 21.753 -17.817 -0.629) 28.125 4.340 ( 16.197 10.552 9.973) 21.752 4.521 ( 20.188 6.980 2.543) 21.512 4.631 ( 37.553 6.176 35.400) 51.976 5.015 ( 24.025 2.929 22.382) 32.966 5.891 ( -8.927 3.432 1.170) 9.635 6.586 ( -5.402 6.724 -1.282) 8.720 6.757 ( 4.196 -5.826 -6.238) 9.511 6.988 ( 10.196 3.691 -14.774) 18.326 7.206 ( 8.824 7.595 -9.229) 14.856 7.413 ( -2.937 6.040 -2.634) 7.214 7.988 ( -11.608 -5.974 -0.034) 13.055 8.350 ( -17.275 -6.698 -11.062) 21.579 8.803 ( -3.373 5.259 -12.924) 14.355 9.312 ( 8.784 -4.525 6.229) 11.681 10.742 ( -12.349 -4.261 -8.514) 15.593 12.078 ( -1.997 0.931 7.212) 7.541 12.237 ( -4.415 -5.105 10.830) 12.761 12.573 ( -5.465 0.605 15.241) 16.202 12.862 ( -12.211 4.812 -2.435) 13.349 13.494 ( 17.363 -3.611 28.163) 33.282 14.111 ( 1.761 -5.622 2.286) 6.319 14.422 ( 5.076 -2.486 -3.279) 6.535 14.806 ( -5.122 -2.839 -7.081) 9.189 15.096 ( -1.567 -6.869 -8.554) 11.082 15.666 ( -20.556 -12.751 -2.899) 24.362 17.105 ( 17.372 -10.342 -6.610) 21.270 18.005 ( -11.629 -8.883 0.161) 14.635 20.179 ( -0.825 10.322 9.042) 13.747 21.065 ( 6.399 7.092 -13.861) 16.834 21.140 ( 20.783 5.351 5.523) 22.160 22.848 ( -15.248 -3.489 -14.411) 21.269 ======================= Grid point 13 (10/246) ======================= q-point: ( 0.44 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 12.709 -9.689 -3.525) 16.365 2.304 ( -6.619 -11.596 4.517) 14.096 3.066 ( 15.040 11.074 -0.010) 18.677 3.343 ( -13.822 13.272 7.501) 20.578 4.316 ( 19.370 -13.356 3.203) 23.745 4.578 ( -2.678 1.263 2.707) 4.012 4.782 ( 13.292 2.209 -0.355) 13.478 5.317 ( -4.755 -10.122 2.213) 11.400 5.567 ( 25.609 4.132 23.961) 35.313 5.999 ( 11.316 7.510 21.358) 25.311 6.366 ( -8.684 6.783 -14.453) 18.174 6.720 ( -4.761 2.726 -7.011) 8.903 6.955 ( -0.490 6.008 -6.993) 9.232 7.284 ( 3.586 7.552 -3.943) 9.243 7.485 ( 10.019 1.726 -2.866) 10.563 7.720 ( -13.032 -1.836 -2.085) 13.324 7.985 ( -10.657 0.914 -1.964) 10.875 8.579 ( -4.952 -2.906 -9.563) 11.154 9.696 ( 15.516 -0.184 10.797) 18.904 10.414 ( -12.398 -3.368 -8.704) 15.518 12.095 ( -0.764 0.297 2.907) 3.021 12.226 ( -2.014 -5.157 3.261) 6.425 12.548 ( -4.072 2.429 4.919) 6.832 12.704 ( -2.301 -0.630 -2.396) 3.381 13.980 ( 8.850 -0.325 20.688) 22.504 14.196 ( 2.892 -2.293 5.052) 6.257 14.405 ( 0.876 -5.660 -6.492) 8.657 14.676 ( -3.920 0.084 -9.158) 9.962 15.069 ( 7.045 -8.154 -7.390) 13.066 15.281 ( -17.178 -11.893 1.723) 20.964 17.362 ( 12.189 -8.840 -3.789) 15.526 17.786 ( -10.216 -10.525 1.313) 14.726 20.218 ( -0.510 11.891 3.644) 12.447 20.998 ( 0.945 3.710 -7.177) 8.135 21.684 ( 20.266 0.803 11.602) 23.366 22.412 ( -16.546 -2.512 -12.581) 20.937 ======================= Grid point 18 (11/246) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.000 29.080 0.000) 29.080 2.043 ( 0.000 36.503 0.000) 36.503 2.240 ( 0.000 23.887 0.000) 23.887 2.532 ( 0.000 1.438 0.000) 1.438 2.629 ( 0.000 20.456 0.000) 20.456 3.077 ( 0.000 -3.162 0.000) 3.162 3.975 ( 0.000 20.109 0.000) 20.109 4.322 ( 0.000 23.027 0.000) 23.027 4.406 ( 0.000 24.936 0.000) 24.936 6.256 ( 0.000 6.815 0.000) 6.815 6.301 ( 0.000 1.348 0.000) 1.348 6.446 ( 0.000 3.559 0.000) 3.559 7.229 ( 0.000 -7.293 0.000) 7.293 7.420 ( 0.000 -13.331 0.000) 13.331 7.921 ( 0.000 -18.863 0.000) 18.863 7.931 ( 0.000 -20.716 0.000) 20.716 8.688 ( 0.000 17.396 0.000) 17.396 9.420 ( 0.000 -0.735 0.000) 0.735 9.654 ( 0.000 0.674 0.000) 0.674 9.920 ( 0.000 2.317 0.000) 2.317 11.040 ( 0.000 -9.175 0.000) 9.175 12.077 ( 0.000 -13.320 0.000) 13.320 12.516 ( 0.000 15.266 0.000) 15.266 12.528 ( 0.000 14.799 0.000) 14.799 14.054 ( 0.000 -0.868 0.000) 0.868 14.110 ( 0.000 -1.802 0.000) 1.802 14.162 ( 0.000 25.191 0.000) 25.191 15.147 ( 0.000 -7.340 0.000) 7.340 15.303 ( 0.000 -6.169 0.000) 6.169 16.011 ( 0.000 -24.849 0.000) 24.849 16.038 ( 0.000 -23.758 0.000) 23.758 18.050 ( 0.000 -18.206 0.000) 18.206 20.228 ( 0.000 11.014 0.000) 11.014 20.249 ( 0.000 10.677 0.000) 10.677 22.123 ( 0.000 7.184 0.000) 7.184 23.367 ( 0.000 -6.821 0.000) 6.821 ======================= Grid point 19 (12/246) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 8.081 25.526 13.036) 29.780 1.971 ( -2.198 34.566 15.405) 37.907 2.384 ( 3.347 -3.434 7.024) 8.505 2.594 ( 9.053 -5.471 1.568) 10.693 3.006 ( 30.434 32.754 6.449) 45.174 3.350 ( 18.680 1.384 21.579) 28.575 4.041 ( 6.168 18.887 0.437) 19.874 4.259 ( -8.033 21.556 12.704) 26.279 4.535 ( 13.072 22.475 -6.801) 26.875 6.194 ( -5.502 1.061 3.160) 6.432 6.392 ( 6.249 5.692 -0.261) 8.457 6.576 ( 16.240 4.071 -6.879) 18.101 7.073 ( -14.489 -7.588 5.488) 17.252 7.495 ( 6.627 -10.121 -6.330) 13.653 7.905 ( -2.487 -17.350 3.786) 17.932 8.017 ( -13.138 19.171 -28.599) 36.852 8.062 ( 4.534 -2.668 -9.385) 10.759 9.246 ( -12.791 -4.375 -1.362) 13.587 9.551 ( -1.989 -4.365 -15.115) 15.858 10.951 ( 29.908 -14.621 55.851) 65.020 10.999 ( 2.236 -9.194 7.658) 12.173 12.178 ( 3.722 -13.398 15.621) 20.913 12.326 ( -10.672 10.962 4.860) 16.052 12.666 ( 5.615 15.290 -3.188) 16.597 13.863 ( -17.318 10.365 -4.686) 20.720 14.033 ( -1.311 -1.042 -3.276) 3.679 14.265 ( 3.827 13.344 7.100) 15.592 15.059 ( -7.117 -7.643 -2.285) 10.690 15.212 ( -7.731 -7.505 -1.360) 10.860 15.916 ( -7.755 -22.191 0.167) 23.507 16.193 ( 17.485 -22.935 -11.939) 31.213 18.030 ( -3.751 -18.576 2.183) 19.076 20.226 ( -1.983 10.020 10.588) 14.712 20.408 ( 12.521 10.521 2.337) 16.521 21.948 ( -6.091 12.972 -23.225) 27.290 23.295 ( -4.819 -6.956 -6.580) 10.719 ======================= Grid point 20 (13/246) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -0.300 21.161 12.872) 24.770 2.208 ( 7.878 9.102 3.042) 12.416 2.518 ( 8.247 0.308 13.098) 15.482 2.912 ( 20.978 -12.861 4.166) 24.957 3.669 ( 19.575 11.850 22.278) 31.936 4.045 ( 27.417 9.390 22.751) 36.844 4.177 ( 8.909 19.750 11.699) 24.624 4.327 ( 7.853 18.841 10.894) 23.137 4.767 ( 14.350 14.528 -1.671) 20.489 6.084 ( -8.758 -0.087 3.135) 9.303 6.540 ( 9.408 0.637 -1.189) 9.504 6.837 ( -9.759 -1.729 3.722) 10.587 6.880 ( 17.240 5.260 -8.758) 20.040 7.523 ( 2.283 -3.700 -8.700) 9.726 7.597 ( -1.394 28.980 -21.180) 35.922 7.892 ( -4.627 -14.613 6.416) 16.616 8.324 ( 13.086 -7.168 0.420) 14.927 8.948 ( -12.310 -6.087 -2.805) 14.016 9.318 ( -7.791 -5.190 -18.798) 21.000 10.849 ( -7.862 -8.585 -4.682) 12.547 11.851 ( 9.480 -13.250 41.395) 44.486 12.157 ( -7.768 4.376 6.563) 11.071 12.602 ( 19.681 -15.957 27.845) 37.647 12.673 ( -2.450 9.832 -1.445) 10.236 13.440 ( -22.950 13.231 1.677) 26.543 13.994 ( -0.397 -3.018 -2.513) 3.948 14.400 ( 4.863 10.729 4.039) 12.453 14.866 ( -8.070 -8.372 -7.579) 13.880 15.058 ( -6.001 -7.696 -1.202) 9.833 15.705 ( -11.315 -17.784 -7.568) 22.396 16.472 ( 20.798 -21.496 -11.952) 32.210 17.920 ( -10.090 -18.872 3.463) 21.678 20.307 ( -0.307 10.083 13.859) 17.141 20.748 ( 17.966 7.845 8.449) 21.347 21.615 ( -5.510 15.933 -28.858) 33.421 23.081 ( -9.730 -7.095 -11.786) 16.850 ======================= Grid point 21 (14/246) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 2.974 8.322 6.071) 10.722 2.202 ( -6.070 -7.690 1.927) 9.985 2.914 ( 19.804 12.305 7.129) 24.381 3.417 ( 27.071 -19.702 3.207) 33.635 3.837 ( -9.402 15.799 11.807) 21.850 4.471 ( 7.274 -3.553 17.788) 19.543 4.576 ( 15.230 8.219 -0.515) 17.314 4.955 ( 29.992 17.788 30.079) 46.050 5.070 ( 14.054 3.383 9.764) 17.444 5.948 ( -6.930 1.288 8.138) 10.766 6.631 ( -1.879 0.725 2.156) 2.951 6.791 ( 6.873 5.970 -4.347) 10.089 7.107 ( 11.571 8.102 -10.867) 17.822 7.476 ( 3.799 6.086 -12.342) 14.276 7.521 ( 1.991 15.709 -6.795) 17.231 7.818 ( -8.564 -9.760 5.536) 14.116 8.225 ( -13.548 -4.742 -12.852) 19.267 8.875 ( -7.410 0.947 -19.257) 20.655 9.178 ( 14.232 -8.180 13.110) 21.008 10.617 ( -11.114 -7.822 -8.077) 15.810 12.095 ( -1.843 -1.440 9.911) 10.183 12.121 ( -4.587 -3.071 13.371) 14.466 12.607 ( -4.188 2.416 5.435) 7.274 12.911 ( -8.271 -3.045 -11.628) 14.591 13.418 ( 12.495 -0.447 45.438) 47.126 13.980 ( -0.079 -4.985 0.766) 5.044 14.439 ( -2.966 2.567 -4.577) 6.028 14.721 ( 1.115 -3.818 -6.117) 7.296 14.964 ( -2.074 -5.044 -4.169) 6.865 15.373 ( -15.045 -14.022 -10.650) 23.159 16.779 ( 20.612 -20.793 -11.372) 31.408 17.710 ( -14.861 -19.593 4.952) 25.085 20.419 ( -0.004 11.854 14.068) 18.397 21.196 ( 17.958 4.586 8.760) 20.500 21.319 ( -1.111 11.313 -20.859) 23.755 22.743 ( -14.205 -6.596 -14.652) 21.447 ======================= Grid point 22 (15/246) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 5.895 -2.008 -0.034) 6.228 2.083 ( -7.553 -7.945 2.545) 11.254 3.313 ( 17.404 12.097 1.536) 21.251 3.631 ( -11.235 9.398 0.067) 14.648 3.996 ( 22.172 -12.616 8.793) 26.983 4.428 ( -14.760 -13.723 -0.515) 20.161 4.882 ( 12.723 6.238 3.078) 14.501 5.191 ( -4.583 -2.426 -0.590) 5.219 5.728 ( 22.499 8.391 26.104) 35.469 6.040 ( 1.142 0.986 9.846) 9.961 6.603 ( 0.527 13.506 -3.807) 14.042 6.818 ( -1.004 5.806 -7.013) 9.160 7.145 ( 1.451 12.187 -5.549) 13.469 7.448 ( 1.659 3.063 -12.098) 12.590 7.538 ( 2.364 7.115 0.449) 7.511 7.660 ( -7.599 -4.154 1.158) 8.738 8.008 ( -1.797 2.099 2.895) 4.002 8.507 ( -9.729 -3.474 -14.727) 17.989 9.680 ( 18.130 -1.922 14.081) 23.036 10.302 ( -12.695 -7.578 -10.110) 17.910 12.098 ( -1.906 -0.232 2.081) 2.831 12.108 ( -2.437 -5.344 3.376) 6.775 12.602 ( -1.262 2.446 3.487) 4.443 12.691 ( -4.853 -0.372 -2.421) 5.436 13.962 ( 4.112 -1.722 11.918) 12.724 14.069 ( 8.682 -9.112 21.603) 25.002 14.312 ( -0.796 -2.768 -4.844) 5.635 14.664 ( -4.488 -1.271 -16.247) 16.903 14.920 ( 3.745 -4.406 -5.950) 8.297 15.040 ( -11.535 -9.599 -0.320) 15.010 17.064 ( 16.088 -19.869 -8.105) 26.820 17.458 ( -14.356 -21.027 5.658) 26.081 20.511 ( -0.011 15.135 7.417) 16.854 21.106 ( -1.261 6.732 -10.933) 12.901 21.692 ( 17.048 -0.359 11.906) 20.797 22.335 ( -14.745 -5.000 -12.882) 20.208 ======================= Grid point 27 (16/246) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 0.000 21.234 0.000) 21.234 2.195 ( 0.000 -7.389 0.000) 7.389 2.199 ( 0.000 -10.042 0.000) 10.042 2.987 ( 0.000 -5.364 0.000) 5.364 3.066 ( 0.000 36.690 0.000) 36.690 3.459 ( 0.000 41.179 0.000) 41.179 4.404 ( 0.000 20.235 0.000) 20.235 4.813 ( 0.000 22.697 0.000) 22.697 4.965 ( 0.000 27.790 0.000) 27.790 6.343 ( 0.000 3.211 0.000) 3.211 6.358 ( 0.000 1.930 0.000) 1.930 6.485 ( 0.000 -0.103 0.000) 0.103 7.065 ( 0.000 -7.955 0.000) 7.955 7.128 ( 0.000 -13.030 0.000) 13.030 7.501 ( 0.000 -20.226 0.000) 20.226 7.541 ( 0.000 -18.030 0.000) 18.030 9.009 ( 0.000 9.994 0.000) 9.994 9.331 ( 0.000 -7.421 0.000) 7.421 9.727 ( 0.000 10.155 0.000) 10.155 10.026 ( 0.000 7.947 0.000) 7.947 10.849 ( 0.000 -9.278 0.000) 9.278 11.731 ( 0.000 -19.920 0.000) 19.920 12.857 ( 0.000 16.955 0.000) 16.955 12.865 ( 0.000 16.815 0.000) 16.815 14.022 ( 0.000 -2.040 0.000) 2.040 14.062 ( 0.000 -2.764 0.000) 2.764 14.745 ( 0.000 28.212 0.000) 28.212 14.977 ( 0.000 -8.661 0.000) 8.661 15.174 ( 0.000 -5.143 0.000) 5.143 15.515 ( 0.000 -20.420 0.000) 20.420 15.558 ( 0.000 -21.275 0.000) 21.275 17.596 ( 0.000 -25.445 0.000) 25.445 20.432 ( 0.000 8.342 0.000) 8.342 20.447 ( 0.000 8.003 0.000) 8.003 22.298 ( 0.000 9.569 0.000) 9.569 23.198 ( 0.000 -9.389 0.000) 9.389 ======================= Grid point 28 (17/246) ======================= q-point: ( 0.11 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 7.690 18.347 10.086) 22.304 2.198 ( -0.029 -7.452 1.528) 7.607 2.278 ( 7.356 -6.732 0.402) 9.979 2.848 ( -9.548 24.364 7.377) 27.188 3.269 ( 9.491 5.279 25.743) 27.940 3.826 ( 27.465 31.756 5.062) 42.289 4.445 ( 5.141 19.098 -2.655) 19.955 4.726 ( -9.491 21.592 9.376) 25.380 5.001 ( 5.090 22.059 -6.813) 23.642 6.181 ( -10.841 -3.016 8.130) 13.883 6.484 ( 1.544 2.245 -0.202) 2.732 6.665 ( 20.140 5.666 -3.557) 21.222 6.928 ( -9.894 -4.818 5.865) 12.470 7.243 ( 6.780 -12.894 0.282) 14.571 7.525 ( 3.174 -18.039 0.269) 18.318 7.738 ( 15.844 -14.255 6.498) 22.281 8.692 ( -13.431 28.589 -28.360) 42.450 9.123 ( -14.779 -6.508 -5.062) 16.923 9.432 ( -2.954 -5.204 -20.379) 21.239 10.777 ( 2.053 -8.085 11.323) 14.064 10.849 ( 23.731 -1.903 35.161) 42.463 11.845 ( 5.265 -18.076 15.400) 24.324 12.602 ( -15.146 14.963 2.304) 21.415 12.982 ( 2.771 14.062 -6.436) 15.711 13.956 ( -5.438 0.527 -5.563) 7.798 14.004 ( -4.301 -1.225 -2.115) 4.946 14.718 ( -5.331 24.319 9.963) 26.816 14.889 ( -6.582 -6.673 -3.894) 10.150 15.066 ( -9.201 -4.961 0.642) 10.473 15.477 ( -1.630 -19.575 -3.957) 20.037 15.715 ( 17.849 -21.232 -12.382) 30.376 17.563 ( -5.972 -26.184 5.241) 27.363 20.426 ( -1.947 8.877 10.386) 13.801 20.591 ( 9.942 6.782 4.014) 12.686 22.188 ( -4.574 11.088 -15.373) 19.498 23.123 ( -4.966 -9.541 -6.839) 12.746 ======================= Grid point 29 (18/246) ======================= q-point: ( 0.22 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -2.388 -4.330 -0.715) 4.996 2.231 ( -5.836 21.542 11.876) 25.282 2.538 ( 18.636 -10.791 3.307) 21.788 2.897 ( 7.841 15.877 10.630) 20.653 3.748 ( 14.155 0.125 29.484) 32.706 4.347 ( 11.221 15.475 9.308) 21.261 4.578 ( 14.095 17.629 -3.949) 22.914 4.712 ( 1.447 13.927 16.243) 21.445 5.068 ( 5.671 16.691 2.337) 17.782 6.023 ( -11.751 -6.053 8.801) 15.880 6.546 ( 3.523 2.110 4.853) 6.357 6.853 ( 0.103 2.158 -0.186) 2.169 7.027 ( 19.298 8.608 -4.020) 21.510 7.361 ( 4.638 -9.617 0.152) 10.678 7.596 ( 1.536 -13.699 4.593) 14.530 8.181 ( 18.269 0.531 1.727) 18.358 8.308 ( -1.770 29.135 -18.749) 34.692 8.760 ( -15.535 -10.896 -4.493) 19.500 9.178 ( -6.344 -7.890 -23.047) 25.172 10.639 ( -7.933 -12.257 -5.299) 15.532 11.666 ( 15.294 -4.719 39.070) 42.221 12.144 ( 7.227 -11.089 13.722) 19.066 12.418 ( -2.488 4.300 13.607) 14.486 12.860 ( -8.424 6.972 -6.853) 12.905 13.686 ( -16.560 9.788 -0.720) 19.250 13.950 ( -1.037 -1.255 -1.449) 2.180 14.677 ( -8.203 -7.114 -10.614) 15.184 14.736 ( -2.416 19.737 10.805) 22.630 14.933 ( -4.242 -3.705 0.538) 5.658 15.356 ( -4.310 -15.827 -12.851) 20.839 15.988 ( 21.062 -23.748 -14.398) 34.855 17.436 ( -13.216 -27.419 8.810) 31.688 20.514 ( 0.123 9.694 14.931) 17.802 20.876 ( 13.532 4.067 10.026) 17.326 21.909 ( -7.432 13.026 -23.514) 27.890 22.906 ( -9.484 -9.727 -12.263) 18.301 ======================= Grid point 30 (19/246) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -3.702 -2.154 -1.648) 4.589 2.148 ( -9.719 18.598 9.408) 22.997 2.973 ( 23.898 -17.802 0.905) 29.814 3.219 ( 14.848 10.306 8.178) 19.838 4.077 ( -3.196 3.138 17.404) 17.971 4.455 ( -4.485 7.682 7.888) 11.889 4.726 ( 11.218 2.979 -4.759) 12.544 5.028 ( 9.338 -1.352 10.943) 14.449 5.371 ( 13.513 16.436 25.672) 33.343 5.975 ( 0.296 2.672 12.660) 12.942 6.694 ( 5.210 3.979 10.239) 12.158 6.897 ( 5.990 4.709 -6.718) 10.158 7.300 ( 11.284 7.650 -4.952) 14.504 7.413 ( 2.914 -7.151 -2.367) 8.077 7.633 ( -1.757 -4.872 4.005) 6.547 8.002 ( -10.691 17.024 -20.369) 28.618 8.218 ( -4.277 11.550 -13.936) 18.599 8.828 ( -10.356 -5.160 -22.425) 25.234 8.986 ( 23.129 -10.066 21.553) 33.178 10.407 ( -10.399 -13.062 -9.038) 18.985 12.017 ( -0.440 -2.472 17.863) 18.039 12.136 ( -5.101 1.009 3.550) 6.296 12.653 ( -5.383 1.172 0.932) 5.587 12.745 ( 5.721 -9.056 5.002) 11.822 13.528 ( -3.530 8.915 29.460) 30.981 13.917 ( -1.322 -1.564 -0.843) 2.215 14.435 ( -6.066 -2.401 -13.499) 14.993 14.776 ( -1.273 9.573 4.154) 10.512 14.900 ( 0.670 -0.845 -1.298) 1.688 15.112 ( -8.060 -11.062 -16.732) 21.617 16.278 ( 21.643 -26.286 -15.530) 37.424 17.208 ( -18.539 -28.386 11.263) 35.725 20.657 ( 1.330 11.155 16.875) 20.272 21.249 ( 15.117 0.390 13.227) 20.090 21.569 ( -7.287 12.502 -23.696) 27.765 22.578 ( -12.831 -9.306 -15.232) 21.983 ======================= Grid point 31 (20/246) ======================= q-point: ( 0.44 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -0.717 3.344 -1.625) 3.787 2.054 ( -5.101 10.007 4.390) 12.060 3.409 ( 20.426 -20.695 -4.907) 29.489 3.504 ( 6.188 1.220 6.748) 9.236 4.010 ( -10.627 0.914 8.637) 13.724 4.293 ( -8.661 10.232 -1.672) 13.509 4.961 ( 10.747 -0.326 -0.858) 10.786 5.152 ( -1.925 -2.262 3.753) 4.786 5.846 ( 11.933 5.234 22.042) 25.606 6.152 ( 3.162 8.267 7.436) 11.560 6.857 ( 2.773 9.715 5.859) 11.679 6.929 ( 2.893 5.086 -6.632) 8.844 7.348 ( 1.754 0.572 -5.534) 5.834 7.413 ( -3.969 -4.655 -3.602) 7.099 7.590 ( -2.710 3.311 -6.075) 7.430 7.706 ( -2.121 4.448 0.029) 4.928 8.174 ( 4.805 16.365 -4.508) 17.642 8.471 ( -10.337 1.440 -11.033) 15.187 9.586 ( 19.958 -7.859 18.217) 28.142 10.092 ( -13.204 -13.047 -13.168) 22.759 12.026 ( -2.941 -1.950 2.647) 4.411 12.092 ( -1.902 -0.389 1.075) 2.219 12.639 ( 0.573 1.376 1.988) 2.485 12.697 ( -4.455 0.681 -0.389) 4.524 13.882 ( 0.490 -5.011 9.337) 10.608 13.945 ( 7.297 -1.982 22.003) 23.266 14.275 ( 0.203 -0.520 -6.075) 6.101 14.632 ( -8.127 -1.942 -19.652) 21.355 14.911 ( -2.440 -1.380 -1.416) 3.141 14.916 ( 0.824 2.693 0.018) 2.817 16.561 ( 18.797 -27.795 -13.091) 36.018 16.934 ( -18.138 -28.918 11.431) 35.999 20.814 ( 1.661 13.961 12.187) 18.606 21.277 ( -4.012 9.815 -14.699) 18.125 21.654 ( 13.081 -3.633 12.603) 18.524 22.203 ( -12.363 -7.750 -13.461) 19.852 ======================= Grid point 36 (21/246) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.000 -7.718 0.000) 7.718 1.992 ( 0.000 -8.546 0.000) 8.546 2.357 ( 0.000 16.064 0.000) 16.064 2.848 ( 0.000 -8.155 0.000) 8.155 3.752 ( 0.000 28.162 0.000) 28.162 4.116 ( 0.000 18.798 0.000) 18.798 4.800 ( 0.000 18.850 0.000) 18.850 5.177 ( 0.000 10.184 0.000) 10.184 5.503 ( 0.000 23.077 0.000) 23.077 6.219 ( 0.000 -13.592 0.000) 13.592 6.465 ( 0.000 9.303 0.000) 9.303 6.552 ( 0.000 6.518 0.000) 6.518 6.922 ( 0.000 -5.748 0.000) 5.748 6.935 ( 0.000 -5.615 0.000) 5.615 7.118 ( 0.000 -16.043 0.000) 16.043 7.166 ( 0.000 -18.015 0.000) 18.015 9.063 ( 0.000 -1.722 0.000) 1.722 9.160 ( 0.000 -7.828 0.000) 7.828 10.128 ( 0.000 25.939 0.000) 25.939 10.225 ( 0.000 10.630 0.000) 10.630 10.654 ( 0.000 -9.616 0.000) 9.616 11.261 ( 0.000 -25.231 0.000) 25.231 13.178 ( 0.000 12.827 0.000) 12.827 13.182 ( 0.000 12.608 0.000) 12.608 13.978 ( 0.000 -1.892 0.000) 1.892 14.002 ( 0.000 -2.755 0.000) 2.755 14.808 ( 0.000 -6.894 0.000) 6.894 14.913 ( 0.000 -9.526 0.000) 9.526 15.096 ( 0.000 -5.921 0.000) 5.921 15.204 ( 0.000 -12.173 0.000) 12.173 15.610 ( 0.000 31.393 0.000) 31.393 17.007 ( 0.000 -31.162 0.000) 31.162 20.564 ( 0.000 4.288 0.000) 4.288 20.571 ( 0.000 3.923 0.000) 3.923 22.513 ( 0.000 11.070 0.000) 11.070 22.985 ( 0.000 -11.028 0.000) 11.028 ======================= Grid point 37 (22/246) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 3.062 -6.343 0.588) 7.068 2.070 ( 8.983 -8.157 -1.567) 12.235 2.481 ( 6.617 16.053 11.095) 20.605 2.967 ( 5.697 -6.226 10.444) 13.428 3.707 ( -7.346 28.347 16.919) 33.820 4.281 ( 10.644 9.179 5.794) 15.203 4.817 ( 3.467 16.801 -3.660) 17.541 5.066 ( -9.111 9.542 -0.227) 13.195 5.432 ( -3.422 19.118 -2.971) 19.648 6.031 ( -14.346 -10.981 6.958) 19.360 6.548 ( 1.701 6.383 5.880) 8.844 6.846 ( 20.702 10.695 1.493) 23.349 6.878 ( -0.406 -0.277 -0.512) 0.710 7.010 ( 1.707 -8.852 16.066) 18.423 7.161 ( 9.491 -16.717 -10.026) 21.681 7.450 ( 20.506 -13.929 12.211) 27.633 8.942 ( -8.992 -2.246 -8.423) 12.524 9.046 ( -4.857 -4.324 -14.831) 16.194 9.592 ( -13.707 23.687 -27.222) 38.600 10.533 ( -7.108 -15.323 -7.570) 18.510 10.924 ( 24.617 7.414 38.061) 45.930 11.461 ( 10.016 -18.011 19.684) 28.499 12.915 ( -16.839 14.503 -0.215) 22.225 13.193 ( -5.101 4.972 -7.131) 10.079 13.950 ( -0.822 0.156 -0.653) 1.061 13.990 ( -1.647 -0.639 -4.435) 4.774 14.715 ( -4.729 -4.284 -4.802) 7.986 14.935 ( 2.530 -3.868 -8.392) 9.581 15.066 ( 0.552 -10.174 -1.959) 10.376 15.223 ( 2.322 -7.713 -8.052) 11.389 15.594 ( -3.391 24.004 7.733) 25.446 16.959 ( -8.485 -31.837 8.037) 33.915 20.583 ( -0.139 6.071 9.515) 11.288 20.681 ( 6.559 1.878 6.270) 9.266 22.422 ( -4.643 11.581 -11.268) 16.812 22.906 ( -5.014 -11.216 -7.481) 14.384 ======================= Grid point 38 (23/246) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 3.002 -1.257 -1.849) 3.743 2.293 ( 14.689 -10.780 -0.817) 18.239 2.671 ( -0.824 19.158 12.652) 22.973 3.139 ( 3.207 2.211 12.785) 13.365 3.856 ( 4.955 13.303 24.321) 28.161 4.491 ( 4.243 -4.210 7.426) 9.532 4.871 ( -0.323 9.829 -5.803) 11.419 4.905 ( -3.230 7.223 6.066) 9.971 5.442 ( 2.957 17.038 10.066) 20.009 5.883 ( -6.424 -6.533 12.288) 15.328 6.648 ( 3.076 7.785 7.605) 11.310 6.902 ( 5.359 2.871 -4.118) 7.343 7.068 ( 4.830 -7.858 5.431) 10.704 7.234 ( 9.872 -9.308 -11.206) 17.598 7.430 ( 15.793 8.128 17.751) 25.111 8.060 ( 27.634 -10.559 19.793) 35.594 8.587 ( -16.263 -2.965 -18.209) 24.593 8.806 ( -4.137 1.392 -20.152) 20.619 9.186 ( -8.618 22.107 -23.230) 33.206 10.309 ( -8.821 -20.379 -9.404) 24.116 11.635 ( 16.354 1.282 33.562) 37.357 11.882 ( 14.490 -11.218 22.653) 29.137 12.607 ( -13.810 10.976 2.997) 17.893 12.926 ( -13.948 -1.067 -7.257) 15.759 13.844 ( -8.453 5.610 -2.953) 10.566 13.938 ( -1.008 -0.218 -1.803) 2.077 14.585 ( -0.937 0.678 -14.322) 14.368 14.907 ( 1.449 1.738 -4.902) 5.399 15.039 ( 1.003 -14.646 -14.789) 20.838 15.153 ( -5.519 8.907 3.526) 11.056 15.646 ( 5.884 1.238 -0.905) 6.080 16.808 ( -16.122 -32.678 13.373) 38.815 20.700 ( 1.833 8.104 14.919) 17.077 20.907 ( 9.060 -0.987 12.199) 15.228 22.172 ( -8.352 12.608 -18.757) 24.094 22.684 ( -9.200 -11.588 -13.301) 19.896 ======================= Grid point 39 (24/246) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 3.869 5.636 -4.149) 7.996 2.584 ( -4.381 11.124 7.879) 14.318 2.612 ( 8.398 -4.980 0.495) 9.776 3.315 ( 1.198 -4.787 12.849) 13.764 4.111 ( 2.091 6.056 12.431) 13.985 4.624 ( 7.536 -10.389 4.919) 13.745 4.723 ( -8.087 12.694 3.416) 15.434 5.015 ( 4.155 -0.982 4.253) 6.026 5.682 ( 7.591 14.145 22.182) 27.381 6.033 ( 8.010 0.575 16.657) 18.491 6.782 ( 3.165 5.513 10.791) 12.524 6.997 ( 7.339 4.952 -4.555) 9.957 7.184 ( 0.548 -11.241 8.855) 14.321 7.296 ( 5.975 -8.027 -10.616) 14.588 7.759 ( 7.687 13.587 1.615) 15.694 8.089 ( -16.495 0.204 -23.125) 28.406 8.603 ( -0.867 0.573 -10.334) 10.386 8.752 ( 23.314 -7.926 19.214) 31.234 8.889 ( -3.658 22.729 -17.730) 29.058 10.050 ( -9.346 -21.810 -12.024) 26.601 12.010 ( 2.014 1.554 15.725) 15.929 12.130 ( -2.738 -1.973 3.383) 4.778 12.599 ( 4.110 -1.791 13.048) 13.797 12.680 ( -5.757 -1.260 1.468) 6.073 13.713 ( -5.786 8.048 13.666) 16.882 13.893 ( -2.214 -1.337 0.171) 2.592 14.442 ( 0.233 4.527 -19.788) 20.301 14.849 ( -4.385 -9.325 -21.247) 23.614 14.921 ( 1.877 3.772 -1.217) 4.385 15.102 ( -4.585 11.652 6.194) 13.970 15.790 ( 13.604 -15.704 -10.526) 23.291 16.569 ( -20.439 -32.238 15.886) 41.344 20.880 ( 3.264 10.289 17.556) 20.609 21.207 ( 10.463 -4.404 15.285) 19.039 21.834 ( -9.459 13.072 -21.179) 26.626 22.361 ( -11.584 -11.588 -16.374) 23.164 ======================= Grid point 40 (25/246) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 9.042 13.058 -5.935) 16.956 2.372 ( -14.741 19.427 8.448) 25.808 2.958 ( 21.147 -21.708 -5.935) 30.881 3.270 ( -15.636 -19.889 10.243) 27.294 4.179 ( 1.864 14.898 0.864) 15.039 4.625 ( -4.136 16.285 3.055) 17.078 4.832 ( 7.465 -11.178 0.722) 13.461 5.085 ( -0.273 -4.725 3.661) 5.984 6.025 ( 8.196 11.579 16.541) 21.791 6.290 ( 4.068 3.665 8.211) 9.869 6.933 ( 3.180 -0.032 9.746) 10.252 7.078 ( 3.298 7.357 -2.213) 8.361 7.195 ( -4.267 -12.795 4.243) 14.140 7.283 ( 0.693 -3.523 -10.023) 10.647 7.712 ( -6.456 2.367 -7.274) 10.010 7.753 ( 0.720 1.837 -13.280) 13.425 8.578 ( -0.015 16.910 5.076) 17.655 8.697 ( -1.187 24.277 -12.184) 27.189 9.339 ( 17.424 -15.790 20.068) 30.913 9.749 ( -11.054 -20.305 -15.975) 28.102 12.026 ( -2.523 1.553 0.923) 3.103 12.085 ( -1.543 -0.429 1.079) 1.931 12.669 ( -0.331 1.317 1.739) 2.206 12.701 ( -0.173 -0.384 3.622) 3.646 13.838 ( -0.432 0.673 11.834) 11.861 13.922 ( 3.021 -1.072 12.053) 12.472 14.314 ( 1.154 4.574 -10.757) 11.746 14.565 ( -6.322 -4.672 -18.647) 20.237 14.951 ( 1.708 6.497 -1.122) 6.811 15.070 ( -2.436 10.125 3.130) 10.874 15.986 ( 15.613 -24.811 -12.888) 32.023 16.307 ( -18.093 -30.044 14.205) 37.839 21.089 ( 3.867 12.685 14.760) 19.842 21.493 ( -1.365 6.029 -6.611) 9.051 21.551 ( 4.393 -1.566 4.248) 6.308 22.013 ( -10.117 -10.597 -14.350) 20.508 ======================= Grid point 45 (26/246) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 0.000 -0.180 0.000) 0.180 1.894 ( 0.000 0.180 0.000) 0.180 2.644 ( 0.000 -11.721 0.000) 11.721 2.644 ( 0.000 11.721 0.000) 11.721 4.176 ( 0.000 -11.109 0.000) 11.109 4.176 ( 0.000 11.109 0.000) 11.109 5.156 ( 0.000 -12.043 0.000) 12.043 5.156 ( 0.000 12.043 0.000) 12.043 5.904 ( 0.000 -16.386 0.000) 16.386 5.904 ( 0.000 16.386 0.000) 16.386 6.674 ( 0.000 -2.069 0.000) 2.069 6.674 ( 0.000 2.069 0.000) 2.069 6.835 ( 0.000 -3.615 0.000) 3.615 6.835 ( 0.000 3.615 0.000) 3.615 6.914 ( 0.000 -1.298 0.000) 1.298 6.914 ( 0.000 1.298 0.000) 1.298 9.052 ( 0.000 -2.041 0.000) 2.041 9.052 ( 0.000 2.041 0.000) 2.041 10.446 ( 0.000 -10.475 0.000) 10.475 10.446 ( 0.000 10.475 0.000) 10.475 10.703 ( 0.000 -28.203 0.000) 28.203 10.703 ( 0.000 28.203 0.000) 28.203 13.325 ( 0.000 -0.073 0.000) 0.073 13.325 ( 0.000 0.073 0.000) 0.073 13.962 ( 0.000 -0.710 0.000) 0.710 13.962 ( 0.000 0.710 0.000) 0.710 14.751 ( 0.000 -2.840 0.000) 2.840 14.751 ( 0.000 2.840 0.000) 2.840 15.059 ( 0.000 -2.307 0.000) 2.307 15.059 ( 0.000 2.307 0.000) 2.307 16.321 ( 0.000 -34.725 0.000) 34.725 16.321 ( 0.000 34.725 0.000) 34.725 20.610 ( 0.000 -0.188 0.000) 0.188 20.610 ( 0.000 0.188 0.000) 0.188 22.749 ( 0.000 -11.590 0.000) 11.590 22.749 ( 0.000 11.590 0.000) 11.590 ======================= Grid point 47 (27/246) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 6.904 -1.329 -0.303) 7.037 1.964 ( 6.904 1.329 -0.303) 7.037 2.772 ( 7.089 -11.934 11.450) 17.994 2.772 ( 7.089 11.934 11.450) 17.994 4.192 ( -2.271 -16.023 8.741) 18.393 4.192 ( -2.271 16.023 8.741) 18.393 5.086 ( -5.133 -7.319 -2.276) 9.225 5.086 ( -5.133 7.319 -2.276) 9.225 5.773 ( -8.709 -13.920 1.413) 16.481 5.773 ( -8.709 13.920 1.413) 16.481 6.764 ( -0.138 -13.163 12.067) 17.857 6.764 ( -0.138 13.163 12.067) 17.857 6.912 ( 8.525 -4.763 -11.518) 15.100 6.912 ( 8.525 4.763 -11.518) 15.100 7.153 ( 20.920 -14.458 15.753) 29.914 7.153 ( 20.920 14.458 15.753) 29.914 8.940 ( -5.953 -3.276 -12.718) 14.419 8.940 ( -5.953 3.276 -12.718) 14.419 10.124 ( -11.468 -24.069 -18.229) 32.297 10.124 ( -11.468 24.069 -18.229) 32.297 11.136 ( 17.727 -13.012 29.026) 36.415 11.136 ( 17.727 13.012 29.026) 36.415 13.159 ( -13.864 -7.831 -3.993) 16.416 13.159 ( -13.864 7.831 -3.993) 16.416 13.969 ( 0.428 -1.265 -2.019) 2.420 13.969 ( 0.428 1.265 -2.019) 2.420 14.750 ( 4.108 -7.957 -10.232) 13.597 14.750 ( 4.108 7.957 -10.232) 13.597 15.047 ( 0.869 -5.815 -4.567) 7.444 15.047 ( 0.869 5.815 -4.567) 7.444 16.265 ( -9.762 -34.633 9.999) 37.346 16.265 ( -9.762 34.633 9.999) 37.346 20.673 ( 2.949 -2.513 8.191) 9.061 20.673 ( 2.949 2.513 8.191) 9.061 22.666 ( -4.909 -11.865 -8.839) 15.588 22.666 ( -4.909 11.865 -8.839) 15.588 ======================= Grid point 49 (28/246) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 9.633 -5.399 -1.561) 11.153 2.122 ( 9.633 5.399 -1.561) 11.153 3.005 ( 3.719 -12.594 13.880) 19.108 3.005 ( 3.719 12.594 13.880) 19.108 4.226 ( -2.933 -18.540 14.039) 23.440 4.226 ( -2.933 18.540 14.039) 23.440 4.981 ( -3.587 -0.794 -1.022) 3.813 4.981 ( -3.587 0.794 -1.022) 3.813 5.725 ( -0.431 -10.097 11.794) 15.532 5.725 ( -0.431 10.097 11.794) 15.532 6.860 ( 0.306 -11.402 11.641) 16.298 6.860 ( 0.306 11.402 11.641) 16.298 7.006 ( 11.169 -8.036 -12.160) 18.363 7.006 ( 11.169 8.036 -12.160) 18.363 7.749 ( 21.152 -17.547 22.361) 35.431 7.749 ( 21.152 17.547 22.361) 35.431 8.658 ( -6.787 -8.047 -22.595) 24.927 8.658 ( -6.787 8.047 -22.595) 24.927 9.791 ( -9.291 -29.082 -15.859) 34.403 9.791 ( -9.291 29.082 -15.859) 34.403 11.708 ( 15.969 -5.766 28.279) 32.985 11.708 ( 15.969 5.766 28.279) 32.985 12.820 ( -16.045 -8.598 -3.028) 18.453 12.820 ( -16.045 8.598 -3.028) 18.453 13.920 ( -3.411 -1.960 -2.636) 4.736 13.920 ( -3.411 1.960 -2.636) 4.736 14.729 ( 5.128 -12.324 -19.122) 23.320 14.729 ( 5.128 12.324 -19.122) 23.320 15.036 ( 2.886 -8.899 -5.905) 11.063 15.036 ( 2.886 8.899 -5.905) 11.063 16.120 ( -15.366 -32.473 15.152) 38.990 16.120 ( -15.366 32.473 15.152) 38.990 20.840 ( 4.969 -5.267 14.004) 15.765 20.840 ( 4.969 5.267 14.004) 15.765 22.433 ( -8.884 -12.518 -15.351) 21.709 22.433 ( -8.884 12.518 -15.351) 21.709 ======================= Grid point 51 (29/246) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 11.995 -12.199 -4.108) 17.595 2.302 ( 11.995 12.199 -4.108) 17.595 3.040 ( -11.406 -19.260 11.988) 25.392 3.040 ( -11.406 19.260 11.988) 25.392 4.345 ( 5.413 -14.320 9.756) 18.153 4.345 ( 5.413 14.320 9.756) 18.153 4.938 ( -2.076 -7.025 2.922) 7.886 4.938 ( -2.076 7.025 2.922) 7.886 5.938 ( 8.300 -9.512 19.313) 23.073 5.938 ( 8.300 9.512 19.313) 23.073 6.948 ( -1.176 -10.039 11.265) 15.134 6.948 ( -1.176 10.039 11.265) 15.134 7.127 ( 9.565 -7.028 -8.977) 14.882 7.127 ( 9.565 7.028 -8.977) 14.882 8.016 ( -5.735 -8.810 -10.210) 14.654 8.016 ( -5.735 8.810 -10.210) 14.654 8.588 ( 14.262 -4.149 5.184) 15.732 8.588 ( 14.262 4.149 5.184) 15.732 9.510 ( -7.244 -29.792 -15.545) 34.376 9.510 ( -7.244 29.792 -15.545) 34.376 12.066 ( 1.986 -3.465 10.521) 11.254 12.066 ( 1.986 3.465 10.521) 11.254 12.627 ( -3.049 -3.194 7.237) 8.478 12.627 ( -3.049 3.194 7.237) 8.478 13.840 ( -3.896 -4.167 4.608) 7.333 13.840 ( -3.896 4.167 4.608) 7.333 14.620 ( 1.235 -11.323 -23.357) 25.986 14.620 ( 1.235 11.323 -23.357) 25.986 15.076 ( 6.159 -10.102 -6.230) 13.372 15.076 ( 6.159 10.102 -6.230) 13.372 15.940 ( -14.959 -25.790 14.036) 32.953 15.940 ( -14.959 25.790 14.036) 32.953 21.074 ( 6.342 -8.214 16.870) 19.806 21.074 ( 6.342 8.214 16.870) 19.806 22.105 ( -10.592 -12.962 -18.367) 24.851 22.105 ( -10.592 12.962 -18.367) 24.851 ======================= Grid point 53 (30/246) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 16.605 -19.024 -6.737) 26.134 2.531 ( 16.605 19.024 -6.737) 26.134 2.816 ( -18.809 -22.564 9.554) 30.890 2.816 ( -18.809 22.564 9.554) 30.890 4.519 ( 5.420 -16.490 1.934) 17.466 4.519 ( 5.420 16.490 1.934) 17.466 4.927 ( -1.731 -10.899 2.977) 11.430 4.927 ( -1.731 10.899 2.977) 11.430 6.251 ( 7.064 -7.901 12.678) 16.524 6.251 ( 7.064 7.901 12.678) 16.524 6.976 ( -2.884 -6.352 5.779) 9.059 6.976 ( -2.884 6.352 5.779) 9.059 7.205 ( 3.693 -4.639 -4.246) 7.293 7.205 ( 3.693 4.639 -4.246) 7.293 7.747 ( -4.710 -1.750 -13.557) 14.458 7.747 ( -4.710 1.750 -13.557) 14.458 8.961 ( 10.482 -19.715 17.075) 28.108 8.961 ( 10.482 19.715 17.075) 28.108 9.256 ( -6.334 -26.703 -16.374) 31.958 9.256 ( -6.334 26.703 -16.374) 31.958 12.065 ( -1.802 -1.638 0.560) 2.499 12.065 ( -1.802 1.638 0.561) 2.499 12.688 ( 0.468 -0.697 3.993) 4.080 12.688 ( 0.468 0.697 3.993) 4.080 13.882 ( 0.343 -2.666 10.217) 10.565 13.882 ( 0.343 2.666 10.217) 10.565 14.443 ( -1.272 -6.839 -15.519) 17.007 14.443 ( -1.272 6.839 -15.519) 17.007 15.144 ( 3.968 -8.052 -3.553) 9.655 15.144 ( 3.968 8.052 -3.553) 9.655 15.802 ( -6.969 -13.223 6.314) 16.226 15.802 ( -6.969 13.223 6.314) 16.226 21.335 ( 6.378 -10.853 14.784) 19.417 21.335 ( 6.378 10.853 14.784) 19.417 21.772 ( -8.247 -12.383 -15.449) 21.448 21.772 ( -8.247 12.383 -15.449) 21.448 ======================= Grid point 99 (31/246) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -7.769 0.000 36.676) 37.490 0.896 ( -8.334 0.000 40.720) 41.564 1.571 ( 21.030 0.000 73.235) 76.195 2.713 ( 7.922 0.000 6.251) 10.092 2.798 ( 5.592 0.000 12.652) 13.833 3.369 ( 14.065 0.000 21.121) 25.376 3.591 ( -1.213 0.000 10.023) 10.096 3.838 ( -5.195 0.000 8.262) 9.760 3.928 ( -4.148 0.000 10.518) 11.307 6.057 ( -0.329 0.000 3.479) 3.495 6.312 ( -30.285 0.000 11.253) 32.308 6.358 ( -0.128 0.000 0.106) 0.166 6.610 ( -33.200 0.000 9.333) 34.487 7.500 ( -1.201 0.000 -5.971) 6.091 7.632 ( 0.229 0.000 -6.695) 6.699 8.426 ( 0.924 0.000 -5.158) 5.240 8.513 ( -1.719 0.000 2.668) 3.174 9.398 ( -7.699 0.000 -6.009) 9.767 9.502 ( -1.313 0.000 -14.483) 14.543 11.234 ( -0.998 0.000 -5.827) 5.912 11.971 ( 39.375 0.000 4.481) 39.629 12.110 ( 3.615 0.000 -2.868) 4.614 12.432 ( 19.728 0.000 5.157) 20.391 12.915 ( 92.029 0.000 1.440) 92.040 13.465 ( -11.306 0.000 -2.670) 11.617 14.101 ( -1.537 0.000 -3.817) 4.115 14.183 ( -0.165 0.000 8.601) 8.603 15.244 ( -1.485 0.000 -6.392) 6.563 15.389 ( 0.143 0.000 -5.035) 5.037 16.494 ( 2.733 0.000 -14.019) 14.283 16.769 ( -4.645 0.000 9.557) 10.626 18.389 ( 0.547 0.000 -4.708) 4.740 19.947 ( 3.796 0.000 3.800) 5.371 20.133 ( -1.145 0.000 17.452) 17.490 21.042 ( -64.151 0.000 -2.519) 64.201 23.437 ( -3.837 0.000 -7.363) 8.303 ======================= Grid point 100 (32/246) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 13.352 0.000 23.758) 27.253 1.300 ( 16.262 0.000 25.974) 30.645 2.772 ( 40.636 0.000 56.980) 69.986 3.068 ( 19.646 0.000 12.592) 23.335 3.112 ( 11.243 0.000 23.120) 25.709 3.750 ( 8.220 0.000 12.399) 14.876 3.752 ( 0.337 0.000 12.384) 12.389 3.844 ( 0.832 0.000 7.056) 7.105 4.149 ( 19.944 0.000 30.531) 36.468 6.151 ( -0.048 0.000 8.002) 8.002 6.194 ( 11.285 0.000 1.941) 11.451 6.422 ( -7.618 0.000 7.368) 10.598 6.462 ( 8.859 0.000 1.345) 8.960 7.356 ( -7.423 0.000 -8.063) 10.960 7.562 ( -2.881 0.000 -6.912) 7.488 8.441 ( 5.469 0.000 -4.971) 7.391 8.456 ( -6.858 0.000 3.617) 7.753 9.135 ( -13.998 0.000 -9.428) 16.877 9.321 ( -2.748 0.000 -18.835) 19.035 11.111 ( -5.725 0.000 -8.797) 10.496 12.193 ( 6.087 0.000 -0.689) 6.125 12.196 ( 1.229 0.000 5.191) 5.335 12.913 ( 20.714 0.000 8.167) 22.266 13.203 ( -12.512 0.000 3.606) 13.021 13.495 ( -9.521 0.000 -1.962) 9.721 14.099 ( 2.077 0.000 -1.824) 2.764 14.282 ( 3.468 0.000 7.033) 7.841 15.086 ( -7.110 0.000 -10.468) 12.655 15.299 ( -4.379 0.000 -7.548) 8.727 16.549 ( 13.757 0.000 -13.306) 19.139 16.639 ( -16.011 0.000 8.680) 18.212 18.327 ( -2.807 0.000 -5.053) 5.780 20.178 ( -7.736 0.000 13.815) 15.833 20.206 ( 17.601 0.000 8.278) 19.450 20.586 ( 3.180 0.000 0.515) 3.221 23.247 ( -7.613 0.000 -12.400) 14.551 ======================= Grid point 101 (33/246) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 18.025 0.000 10.925) 21.077 1.795 ( 18.499 0.000 11.568) 21.819 3.337 ( -4.192 0.000 23.162) 23.538 3.541 ( 5.895 0.000 23.794) 24.514 3.788 ( 10.629 0.000 -4.849) 11.683 3.827 ( 24.962 0.000 7.927) 26.190 4.086 ( 15.505 0.000 15.763) 22.110 4.265 ( 33.502 0.000 41.034) 52.973 4.945 ( 28.380 0.000 40.191) 49.201 6.093 ( -12.312 0.000 5.546) 13.504 6.441 ( 11.873 0.000 -2.254) 12.085 6.483 ( 9.898 0.000 -2.408) 10.187 6.630 ( 6.000 0.000 -3.853) 7.131 7.148 ( -5.660 0.000 -3.811) 6.823 7.427 ( -5.584 0.000 -3.616) 6.652 8.298 ( -12.341 0.000 1.127) 12.393 8.526 ( 6.005 0.000 -9.207) 10.993 8.726 ( -20.275 0.000 -7.704) 21.689 9.188 ( 6.071 0.000 -11.617) 13.108 10.876 ( -10.152 0.000 -11.877) 15.625 12.229 ( -2.879 0.000 8.127) 8.622 12.298 ( 3.903 0.000 -0.391) 3.923 12.848 ( -7.028 0.000 -13.991) 15.657 13.184 ( -20.664 0.000 6.459) 21.650 13.556 ( 16.998 0.000 32.512) 36.687 14.123 ( 1.216 0.000 1.469) 1.907 14.393 ( 2.946 0.000 2.088) 3.611 14.845 ( -7.318 0.000 -12.840) 14.779 15.118 ( -5.806 0.000 -10.264) 11.792 16.324 ( -23.212 0.000 8.593) 24.752 16.771 ( 18.990 0.000 -11.393) 22.146 18.209 ( -5.582 0.000 -4.059) 6.902 20.121 ( -3.313 0.000 -0.732) 3.393 20.715 ( 26.230 0.000 11.513) 28.645 20.737 ( 7.349 0.000 4.958) 8.865 22.952 ( -11.498 0.000 -15.387) 19.208 ======================= Grid point 102 (34/246) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 15.688 0.000 3.688) 16.116 2.173 ( 15.043 0.000 2.482) 15.246 3.291 ( -14.217 0.000 14.946) 20.628 3.529 ( -13.372 0.000 13.824) 19.233 4.189 ( 22.336 0.000 0.095) 22.336 4.242 ( 18.289 0.000 -2.238) 18.426 4.549 ( 17.687 0.000 18.987) 25.948 5.287 ( 30.572 0.000 36.536) 47.640 5.768 ( 23.333 0.000 36.229) 43.093 5.865 ( -13.131 0.000 2.912) 13.450 6.384 ( -14.533 0.000 -13.128) 19.584 6.583 ( 3.248 0.000 -10.493) 10.984 6.656 ( 9.126 0.000 -13.037) 15.914 7.196 ( 4.547 0.000 10.470) 11.415 7.369 ( 1.463 0.000 3.971) 4.232 7.981 ( -15.541 0.000 -8.381) 17.657 8.323 ( -20.727 0.000 8.313) 22.332 8.469 ( 2.033 0.000 -15.045) 15.182 9.450 ( 20.846 0.000 3.448) 21.129 10.541 ( -13.084 0.000 -14.747) 19.714 12.215 ( -5.002 0.000 6.554) 8.245 12.272 ( -2.433 0.000 -8.897) 9.224 12.715 ( -0.011 0.000 -1.288) 1.288 12.853 ( -18.038 0.000 4.171) 18.514 14.079 ( 8.415 0.000 20.186) 21.870 14.166 ( 1.985 0.000 -0.182) 1.993 14.385 ( 0.508 0.000 -1.849) 1.918 14.643 ( -2.978 0.000 -9.995) 10.429 14.998 ( 1.681 0.000 -5.268) 5.530 15.923 ( -24.867 0.000 8.884) 26.406 17.071 ( 20.069 0.000 -8.603) 21.836 18.053 ( -7.927 0.000 -2.235) 8.236 20.045 ( -0.593 0.000 -8.522) 8.542 20.918 ( 4.596 0.000 11.628) 12.503 21.347 ( 28.011 0.000 13.227) 30.977 22.569 ( -15.010 0.000 -15.844) 21.825 ======================= Grid point 103 (35/246) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 9.700 0.000 1.317) 9.789 2.409 ( 9.139 0.000 -1.640) 9.285 3.077 ( -16.199 0.000 6.195) 17.343 3.348 ( -14.239 0.000 8.420) 16.542 4.436 ( 3.388 0.000 -3.856) 5.132 4.486 ( 7.966 0.000 -2.969) 8.502 5.000 ( 8.441 0.000 21.351) 22.959 5.548 ( -10.786 0.000 2.664) 11.110 5.800 ( -9.424 0.000 -5.951) 11.146 5.859 ( -24.042 0.000 -21.697) 32.384 6.297 ( 8.463 0.000 13.800) 16.188 6.569 ( 8.615 0.000 0.627) 8.637 6.762 ( 10.583 0.000 -2.281) 10.826 7.361 ( 1.128 0.000 14.632) 14.675 7.551 ( 11.821 0.000 9.254) 15.013 7.801 ( 1.593 0.000 5.567) 5.790 8.035 ( -19.447 0.000 15.464) 24.846 8.503 ( 10.315 0.000 -3.328) 10.838 9.766 ( -0.169 0.000 -4.515) 4.518 10.277 ( 5.011 0.000 -6.570) 8.263 12.129 ( -6.601 0.000 -0.359) 6.610 12.159 ( 0.855 0.000 -11.290) 11.322 12.568 ( -12.966 0.000 -1.536) 13.056 12.736 ( -0.430 0.000 1.435) 1.498 13.919 ( -11.240 0.000 -19.291) 22.327 14.167 ( 0.838 0.000 -5.875) 5.935 14.613 ( 4.112 0.000 -0.556) 4.150 14.648 ( 4.745 0.000 21.104) 21.630 15.111 ( 12.136 0.000 1.954) 12.293 15.556 ( -19.654 0.000 8.870) 21.563 17.374 ( 15.995 0.000 -5.236) 16.830 17.882 ( -7.452 0.000 -1.332) 7.570 19.974 ( 1.466 0.000 -10.670) 10.770 21.096 ( 2.113 0.000 17.104) 17.234 21.816 ( 0.363 0.000 -1.360) 1.408 22.276 ( 5.903 0.000 0.170) 5.905 ======================= Grid point 104 (36/246) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -7.026 0.000 3.940) 8.055 2.469 ( -3.672 0.000 0.322) 3.686 2.824 ( -8.298 0.000 -4.568) 9.473 3.147 ( -10.204 0.000 2.372) 10.476 4.319 ( -12.179 0.000 -2.613) 12.456 4.404 ( -10.324 0.000 -11.685) 15.593 4.944 ( -22.767 0.000 6.964) 23.808 5.026 ( -40.021 0.000 -23.326) 46.322 5.162 ( -28.779 0.000 -22.127) 36.303 5.738 ( 11.904 0.000 13.019) 17.641 6.424 ( 3.668 0.000 -1.317) 3.897 6.850 ( 14.603 0.000 4.296) 15.222 6.972 ( 7.893 0.000 4.343) 9.009 7.442 ( -6.177 0.000 15.650) 16.825 7.737 ( -20.530 0.000 24.791) 32.188 7.897 ( 10.266 0.000 9.847) 14.225 8.181 ( 22.007 0.000 13.592) 25.866 8.756 ( 10.392 0.000 7.048) 12.557 9.418 ( -14.676 0.000 -16.622) 22.174 10.581 ( 17.900 0.000 3.918) 18.324 11.969 ( -5.176 0.000 -11.053) 12.205 12.136 ( 4.430 0.000 -9.214) 10.223 12.317 ( -8.633 0.000 -10.341) 13.471 12.639 ( -4.204 0.000 -17.653) 18.147 13.623 ( -7.339 0.000 -2.872) 7.881 14.141 ( 1.543 0.000 -4.701) 4.948 14.700 ( -9.630 0.000 7.838) 12.417 14.746 ( 7.528 0.000 3.275) 8.209 15.327 ( -4.141 0.000 1.716) 4.482 15.506 ( 15.256 0.000 14.884) 21.314 17.464 ( -6.382 0.000 -1.505) 6.557 17.868 ( 10.117 0.000 -3.180) 10.605 19.937 ( 2.535 0.000 -8.212) 8.595 21.274 ( 0.365 0.000 21.775) 21.778 21.409 ( -23.358 0.000 -13.507) 26.982 22.712 ( 20.812 0.000 12.976) 24.526 ======================= Grid point 105 (37/246) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -26.981 0.000 1.836) 27.043 2.237 ( -23.533 0.000 7.474) 24.692 2.718 ( 0.023 0.000 -9.662) 9.662 3.013 ( -3.919 0.000 -4.708) 6.125 3.766 ( -48.473 0.000 -12.698) 50.108 3.946 ( -20.016 0.000 -24.952) 31.988 4.174 ( -21.971 0.000 -6.229) 22.837 4.501 ( -25.677 0.000 -7.106) 26.642 4.512 ( -24.197 0.000 2.753) 24.353 6.086 ( 8.395 0.000 19.656) 21.374 6.437 ( -1.837 0.000 -2.097) 2.788 7.123 ( 3.510 0.000 3.909) 5.253 7.140 ( 10.257 0.000 4.942) 11.386 7.344 ( -13.894 0.000 10.239) 17.259 7.595 ( -15.369 0.000 34.133) 37.433 8.153 ( 9.526 0.000 5.874) 11.191 8.722 ( 20.369 0.000 12.524) 23.911 8.733 ( -10.981 0.000 -6.663) 12.844 9.321 ( 10.450 0.000 0.208) 10.452 10.910 ( 13.253 0.000 2.903) 13.567 11.709 ( -4.261 0.000 -38.846) 39.079 12.106 ( -3.685 0.000 -7.827) 8.651 12.134 ( 2.806 0.000 -12.085) 12.406 12.360 ( -1.908 0.000 -28.504) 28.568 13.589 ( -4.132 0.000 16.621) 17.127 14.152 ( 1.703 0.000 -1.270) 2.125 14.505 ( -12.060 0.000 0.303) 12.064 14.927 ( 8.558 0.000 2.517) 8.921 15.303 ( 0.449 0.000 1.049) 1.142 15.951 ( 17.632 0.000 12.995) 21.903 17.230 ( -13.603 0.000 -3.449) 14.033 18.086 ( 12.627 0.000 -2.628) 12.898 19.939 ( 2.043 0.000 -2.421) 3.168 20.844 ( -24.199 0.000 -11.377) 26.740 21.466 ( 0.103 0.000 26.167) 26.168 23.148 ( 14.244 0.000 10.520) 17.707 ======================= Grid point 106 (38/246) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -33.661 0.000 -2.808) 33.778 1.727 ( -37.571 0.000 14.545) 40.288 2.369 ( -43.151 0.000 -9.424) 44.168 2.861 ( -20.290 0.000 1.346) 20.335 2.864 ( -7.424 0.000 -6.485) 9.857 3.387 ( -14.992 0.000 -21.589) 26.283 3.837 ( -15.319 0.000 3.247) 15.659 4.102 ( -15.279 0.000 4.864) 16.034 4.130 ( -17.952 0.000 5.180) 18.685 6.317 ( -9.392 0.000 1.140) 9.461 6.340 ( 1.325 0.000 20.337) 20.380 6.904 ( -23.726 0.000 2.261) 23.834 7.303 ( 2.007 0.000 12.877) 13.032 7.362 ( 7.887 0.000 0.497) 7.902 7.791 ( 2.043 0.000 50.037) 50.078 8.351 ( 7.049 0.000 3.597) 7.914 8.530 ( -3.926 0.000 -5.289) 6.587 9.101 ( 11.119 0.000 4.661) 12.056 9.521 ( 7.753 0.000 -0.419) 7.765 11.071 ( -16.413 0.000 -79.802) 81.472 11.132 ( 8.471 0.000 0.532) 8.488 12.047 ( 5.645 0.000 -22.136) 22.844 12.075 ( 2.970 0.000 -0.469) 3.007 12.199 ( 0.328 0.000 -11.863) 11.868 13.652 ( -5.159 0.000 18.073) 18.795 14.170 ( 0.386 0.000 -0.109) 0.401 14.293 ( -8.724 0.000 -1.526) 8.857 15.103 ( 8.431 0.000 0.210) 8.434 15.340 ( 3.231 0.000 -1.607) 3.609 16.361 ( 14.271 0.000 11.976) 18.631 16.927 ( -12.813 0.000 -7.460) 14.827 18.274 ( 8.820 0.000 -2.714) 9.228 19.973 ( 0.468 0.000 4.816) 4.839 20.339 ( -19.884 0.000 -7.152) 21.131 21.714 ( 3.404 0.000 28.716) 28.917 23.414 ( 6.885 0.000 5.385) 8.740 ======================= Grid point 107 (39/246) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -25.338 0.000 19.457) 31.947 1.119 ( -39.243 0.000 27.381) 47.851 1.439 ( -49.515 0.000 33.382) 59.717 2.682 ( -5.556 0.000 -1.522) 5.761 2.718 ( -3.241 0.000 4.347) 5.422 3.139 ( -0.318 0.000 -0.415) 0.523 3.633 ( -9.874 0.000 7.119) 12.173 3.916 ( -10.185 0.000 7.565) 12.687 3.957 ( -7.154 0.000 8.951) 11.459 6.140 ( -9.927 0.000 3.873) 10.655 6.455 ( -5.315 0.000 17.587) 18.373 6.505 ( -14.973 0.000 -1.621) 15.060 7.447 ( 3.756 0.000 -1.845) 4.185 7.491 ( 5.495 0.000 -2.899) 6.213 8.377 ( -18.036 0.000 -11.071) 21.163 8.461 ( -0.553 0.000 -3.992) 4.030 8.490 ( 1.454 0.000 4.481) 4.711 9.355 ( 35.389 0.000 54.808) 65.240 9.584 ( 2.262 0.000 -7.464) 7.800 9.855 ( -23.411 0.000 -36.017) 42.957 11.241 ( 3.770 0.000 -2.627) 4.595 12.077 ( 6.851 0.000 -6.326) 9.325 12.155 ( 7.744 0.000 -10.541) 13.080 12.184 ( 7.020 0.000 4.282) 8.223 13.636 ( -7.843 0.000 7.200) 10.647 14.156 ( -1.278 0.000 -1.491) 1.963 14.172 ( -4.638 0.000 4.370) 6.372 15.235 ( 5.636 0.000 -2.701) 6.250 15.386 ( 3.258 0.000 -3.541) 4.811 16.649 ( -7.379 0.000 -11.726) 13.855 16.662 ( 6.837 0.000 10.908) 12.873 18.375 ( 4.468 0.000 -3.652) 5.771 20.006 ( -10.342 0.000 -1.732) 10.486 20.034 ( -0.922 0.000 11.740) 11.777 21.970 ( -0.716 0.000 0.712) 1.010 23.502 ( 0.755 0.000 -1.024) 1.273 ======================= Grid point 108 (40/246) ======================= q-point: ( 0.00 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 10.973 26.468 15.612) 32.630 1.324 ( 6.870 27.457 31.610) 42.429 2.010 ( 2.583 33.948 51.491) 61.729 2.645 ( 3.981 -3.971 3.590) 6.671 2.763 ( 3.191 -4.452 14.449) 15.452 3.355 ( 14.763 -1.209 20.912) 25.627 3.710 ( -0.915 10.814 7.613) 13.256 3.872 ( 3.908 9.137 0.560) 9.953 4.207 ( -9.011 19.939 17.511) 28.025 6.172 ( 1.113 7.257 -0.023) 7.342 6.235 ( -5.343 0.254 4.970) 7.302 6.526 ( -9.306 3.227 11.097) 14.838 7.020 ( -22.982 24.164 -18.452) 38.112 7.492 ( -13.123 7.197 -16.967) 22.625 7.611 ( -4.416 -3.103 -3.117) 6.232 8.252 ( 2.793 -14.549 -3.509) 15.225 8.373 ( -1.567 -12.724 4.587) 13.616 9.395 ( -4.107 -1.337 -11.890) 12.650 9.514 ( -5.260 0.260 -8.562) 10.052 11.157 ( -0.249 -6.651 -5.160) 8.422 11.538 ( 71.077 -40.718 55.867) 99.151 12.198 ( 6.684 7.747 -2.619) 10.562 12.347 ( 10.622 -0.843 5.311) 11.905 12.445 ( 12.817 -9.972 18.272) 24.446 13.585 ( 7.369 12.226 -13.590) 19.709 14.034 ( -6.059 -2.847 -2.481) 7.140 14.165 ( -2.830 1.478 4.611) 5.608 15.197 ( -0.588 -4.523 -6.695) 8.101 15.346 ( -0.484 -3.578 -5.216) 6.344 16.273 ( 4.434 -18.737 -12.857) 23.152 16.648 ( -9.756 -12.596 10.918) 19.314 18.306 ( 1.472 -8.993 -3.981) 9.944 20.015 ( 6.776 6.749 2.850) 9.979 20.234 ( -2.073 8.406 15.822) 18.036 21.590 ( -36.128 26.781 -22.265) 50.182 23.402 ( -4.022 -3.410 -7.192) 8.918 ======================= Grid point 109 (41/246) ======================= q-point: ( 0.11 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 22.272 23.490 9.713) 33.796 1.523 ( -0.557 22.510 25.453) 33.983 2.831 ( 24.224 -9.591 15.391) 30.260 2.958 ( 0.174 -12.677 21.248) 24.743 3.025 ( 31.746 14.684 41.606) 54.355 3.815 ( 10.113 7.994 8.562) 15.475 3.891 ( 12.349 8.220 16.977) 22.545 4.076 ( 10.338 14.754 13.525) 22.527 4.247 ( 4.475 13.056 24.149) 27.815 6.210 ( -2.214 5.342 8.259) 10.082 6.304 ( 11.884 5.722 -4.508) 13.938 6.441 ( -5.007 2.119 5.858) 7.992 6.708 ( -0.182 23.838 -1.997) 23.922 7.304 ( -7.917 -3.892 -7.227) 11.404 7.513 ( -1.351 -4.664 -6.388) 8.024 8.318 ( 6.310 -10.153 -2.854) 12.290 8.353 ( -4.590 -9.828 5.555) 12.187 9.140 ( -12.511 -0.369 -11.832) 17.224 9.306 ( -4.693 -1.932 -16.950) 17.693 11.047 ( -5.307 -5.710 -8.138) 11.269 12.161 ( 2.351 -0.119 3.347) 4.092 12.331 ( 4.223 8.625 0.462) 9.615 12.751 ( 20.089 -17.221 5.908) 27.112 12.902 ( -0.980 -21.582 28.834) 36.030 13.645 ( -4.862 11.286 -0.358) 12.294 13.981 ( 9.029 -13.222 4.039) 16.512 14.155 ( -0.157 5.058 2.189) 5.514 15.043 ( -7.312 -4.112 -10.462) 13.410 15.235 ( -5.407 -4.637 -7.603) 10.419 16.361 ( 14.728 -17.048 -13.391) 26.208 16.465 ( -17.044 -16.218 8.936) 25.167 18.266 ( -2.231 -6.933 -4.624) 8.627 20.293 ( 17.603 7.995 7.247) 20.648 20.324 ( -3.968 9.363 17.102) 19.897 20.947 ( -10.648 27.463 -16.921) 33.970 23.209 ( -7.804 -3.617 -12.311) 15.018 ======================= Grid point 110 (42/246) ======================= q-point: ( 0.22 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 4.751 12.303 14.995) 19.969 1.960 ( 21.211 14.368 5.376) 26.178 3.055 ( -6.905 -17.735 20.247) 27.788 3.347 ( 26.611 -19.358 3.057) 33.049 3.814 ( 1.939 12.566 20.042) 23.735 4.110 ( 19.504 9.153 5.349) 22.199 4.226 ( 14.013 14.664 10.896) 23.025 4.478 ( 25.566 17.739 38.960) 49.862 4.917 ( 26.736 -2.190 36.101) 44.977 6.139 ( -11.295 4.265 7.219) 14.067 6.484 ( 9.948 2.466 -0.398) 10.256 6.551 ( 11.704 6.726 -7.407) 15.398 6.724 ( -1.784 7.959 -4.411) 9.273 7.122 ( -3.019 0.406 0.248) 3.056 7.435 ( -1.975 -0.013 -4.586) 4.993 8.231 ( -10.752 -6.287 1.713) 12.573 8.410 ( 1.231 -8.656 -7.011) 11.207 8.781 ( -13.431 2.813 -10.649) 17.370 9.161 ( 5.448 -2.627 -8.465) 10.404 10.825 ( -9.713 -4.677 -11.351) 15.654 12.211 ( -0.616 -0.481 5.807) 5.859 12.360 ( -1.668 4.121 0.817) 4.521 12.809 ( -4.478 -3.805 -5.311) 7.920 13.047 ( -7.687 -10.026 5.229) 13.673 13.676 ( 6.428 8.235 28.424) 30.282 14.132 ( -0.111 -4.207 7.388) 8.503 14.285 ( 8.547 -1.853 0.967) 8.799 14.796 ( -7.386 -4.729 -12.735) 15.462 15.042 ( -6.008 -5.930 -10.973) 13.844 16.133 ( -23.175 -17.110 8.388) 30.003 16.611 ( 20.489 -15.075 -12.736) 28.448 18.152 ( -5.990 -6.041 -3.689) 9.272 20.302 ( -5.337 14.532 1.457) 15.550 20.778 ( 22.977 6.041 10.289) 25.890 20.846 ( 5.794 9.782 -1.024) 11.415 22.913 ( -11.548 -3.834 -15.397) 19.624 ======================= Grid point 111 (43/246) ======================= q-point: ( 0.33 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 7.070 -0.178 7.528) 10.329 2.318 ( 12.270 8.183 1.681) 14.844 3.055 ( -6.336 -12.306 14.478) 20.030 3.684 ( -4.716 0.352 -2.066) 5.161 3.951 ( 16.457 -5.228 14.844) 22.771 4.443 ( 12.527 7.841 -6.199) 16.026 4.612 ( 15.674 5.936 16.685) 23.650 5.377 ( 24.410 7.292 32.448) 41.254 5.555 ( 7.144 -10.859 22.526) 26.007 6.060 ( 3.279 8.748 12.293) 15.440 6.416 ( -13.397 4.011 -11.790) 18.291 6.615 ( 3.601 3.210 -6.337) 7.964 6.733 ( 9.031 7.495 -9.620) 15.175 7.212 ( 4.996 2.753 8.220) 10.005 7.417 ( 2.159 3.536 2.911) 5.064 7.942 ( -13.998 -3.819 -8.257) 16.695 8.269 ( -10.181 -4.999 4.720) 12.285 8.492 ( -7.035 1.993 -10.250) 12.591 9.453 ( 21.379 0.185 5.552) 22.089 10.501 ( -12.784 -3.891 -14.678) 19.850 12.204 ( -3.887 -1.051 1.568) 4.322 12.275 ( -5.583 0.033 -2.975) 6.327 12.719 ( -0.971 0.188 -0.874) 1.319 12.826 ( -14.455 -2.153 3.030) 14.926 14.068 ( 4.758 -1.392 11.735) 12.739 14.211 ( 0.686 3.350 4.901) 5.976 14.332 ( 3.418 -4.426 2.492) 6.122 14.615 ( -2.126 -2.209 -8.926) 9.438 14.913 ( 1.634 -6.844 -4.881) 8.563 15.740 ( -23.773 -15.956 8.278) 29.804 16.924 ( 21.559 -14.120 -10.635) 27.879 17.987 ( -8.871 -6.555 -1.595) 11.145 20.191 ( -1.767 12.993 -9.974) 16.475 20.963 ( 3.797 4.132 11.306) 12.622 21.384 ( 26.380 3.271 12.751) 29.482 22.531 ( -14.653 -3.636 -15.935) 21.952 ======================= Grid point 112 (44/246) ======================= q-point: ( 0.44 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 7.624 -7.017 3.571) 10.959 2.420 ( -4.624 -5.187 5.003) 8.562 3.081 ( 2.186 4.771 1.901) 5.582 3.449 ( -16.668 7.149 1.635) 18.210 4.357 ( 13.518 -9.985 1.406) 16.864 4.477 ( -2.389 0.673 -6.403) 6.868 5.016 ( 6.141 1.226 17.858) 18.924 5.359 ( -13.319 -12.806 1.486) 18.536 5.783 ( -16.405 2.281 -8.595) 18.660 5.919 ( -8.827 -0.596 -21.180) 22.953 6.440 ( 2.295 12.056 11.814) 17.035 6.634 ( 8.513 6.404 3.227) 11.130 6.869 ( 10.958 9.555 2.039) 14.681 7.395 ( 3.688 2.974 12.683) 13.538 7.553 ( 8.412 0.386 8.298) 11.823 7.763 ( 0.645 -3.767 2.183) 4.401 8.080 ( -17.522 4.225 15.161) 23.552 8.488 ( 11.088 -1.392 1.372) 11.259 9.777 ( -1.636 0.988 -4.925) 5.282 10.242 ( 6.017 -3.466 -5.892) 9.107 12.106 ( -1.953 -2.846 -7.647) 8.390 12.148 ( -5.485 -0.241 -2.848) 6.185 12.587 ( -10.622 1.796 -1.219) 10.842 12.720 ( -1.047 -1.500 0.859) 2.021 13.907 ( -10.136 -1.089 -18.809) 21.394 14.148 ( -1.453 -2.831 -8.774) 9.334 14.478 ( 2.188 -8.226 4.625) 9.687 14.736 ( 5.169 4.392 16.016) 17.393 15.029 ( 11.390 -7.193 4.205) 14.113 15.400 ( -17.344 -12.659 8.753) 23.189 17.247 ( 18.810 -12.801 -7.670) 24.010 17.797 ( -9.515 -8.010 -0.329) 12.442 20.092 ( 0.969 10.479 -12.567) 16.391 21.142 ( 2.544 4.208 18.180) 18.833 21.815 ( -1.115 -0.278 -2.691) 2.926 22.255 ( 7.041 -1.952 1.069) 7.384 ======================= Grid point 113 (45/246) ======================= q-point: (-0.44 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -10.092 -7.586 6.797) 14.339 2.288 ( -1.838 -11.577 3.305) 12.179 3.022 ( -15.113 12.641 -6.469) 20.738 3.200 ( -0.844 6.607 -4.459) 8.015 4.205 ( -15.802 -10.575 -7.678) 20.506 4.459 ( -5.400 1.795 -6.826) 8.887 4.791 ( -25.191 -7.367 -6.333) 27.000 5.093 ( -35.948 6.514 -15.307) 39.610 5.207 ( -15.456 -0.285 -11.120) 19.043 5.756 ( 8.467 1.098 5.569) 10.193 6.482 ( 3.176 3.857 -2.538) 5.604 6.798 ( 2.616 2.770 1.766) 4.199 7.152 ( 11.172 10.376 9.402) 17.913 7.481 ( -5.591 4.095 13.390) 15.077 7.780 ( -14.392 3.541 23.805) 28.042 7.827 ( 5.577 -6.319 7.838) 11.510 8.137 ( 18.777 -2.415 13.086) 23.014 8.823 ( 13.751 4.760 12.349) 19.085 9.388 ( -17.061 -2.734 -18.067) 25.000 10.550 ( 16.876 -2.982 3.902) 17.576 11.978 ( -4.720 -0.216 -12.856) 13.696 12.041 ( -0.724 -5.371 -9.796) 11.196 12.410 ( -3.395 6.097 -6.108) 9.274 12.649 ( -1.310 1.544 -16.355) 16.480 13.569 ( -10.975 -6.081 -7.070) 14.403 14.078 ( 0.809 -6.254 -5.235) 8.196 14.562 ( -1.354 -7.752 6.670) 10.316 14.804 ( -1.127 1.865 2.832) 3.573 15.191 ( -2.890 -10.771 2.696) 11.474 15.455 ( 14.052 -4.351 17.426) 22.804 17.396 ( -4.565 -7.286 -1.261) 8.690 17.732 ( 9.429 -13.019 -4.427) 16.674 20.030 ( 2.094 8.173 -10.448) 13.429 21.338 ( -1.966 5.015 16.567) 17.420 21.427 ( -17.538 2.096 -7.381) 19.143 22.688 ( 20.054 -2.344 13.081) 24.058 ======================= Grid point 114 (46/246) ======================= q-point: (-0.33 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -25.335 -7.556 5.908) 27.090 2.284 ( -13.728 2.558 1.662) 14.063 2.621 ( -11.595 -4.525 -9.050) 15.389 3.123 ( -3.502 7.748 -13.072) 15.594 3.751 ( -23.353 -4.667 -16.934) 29.222 4.090 ( -21.511 -9.122 -10.224) 25.504 4.121 ( -34.361 16.849 -11.072) 39.839 4.375 ( -23.999 6.672 -3.028) 25.093 4.813 ( -18.580 12.048 -1.529) 22.197 6.051 ( 8.210 -3.016 16.558) 18.726 6.550 ( 2.897 7.485 -2.980) 8.561 6.809 ( 1.493 -12.904 -0.661) 13.007 7.310 ( -12.970 2.985 13.068) 18.652 7.465 ( 3.765 10.121 6.203) 12.453 7.695 ( -13.262 9.810 34.695) 38.417 8.024 ( 8.060 -11.603 3.210) 14.488 8.572 ( 5.710 -5.189 6.884) 10.340 8.863 ( -1.243 2.300 -4.479) 5.187 9.321 ( 12.815 0.474 6.185) 14.237 10.853 ( 12.101 -5.089 2.104) 13.295 11.665 ( -7.832 -5.339 -39.581) 40.700 11.958 ( 0.423 -3.074 -6.148) 6.887 12.361 ( -1.367 8.472 -29.920) 31.126 12.400 ( 1.259 6.358 -11.644) 13.326 13.457 ( -5.225 -12.182 15.970) 20.754 14.083 ( 1.859 -5.669 -1.430) 6.135 14.458 ( -9.758 -2.216 0.285) 10.011 14.890 ( 7.066 -3.269 1.396) 7.910 15.195 ( 1.253 -8.698 2.275) 9.077 15.871 ( 14.405 -6.875 15.008) 21.909 17.173 ( -14.337 -6.207 -0.976) 15.653 17.958 ( 14.557 -12.811 -4.992) 20.023 20.002 ( 1.433 5.539 -5.497) 7.935 20.881 ( -21.675 3.127 -11.577) 24.772 21.606 ( 3.229 11.544 26.691) 29.259 23.114 ( 13.881 -3.261 10.746) 17.855 ======================= Grid point 115 (47/246) ======================= q-point: (-0.22 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -28.927 -0.051 5.955) 29.534 1.674 ( -36.559 5.951 -13.504) 39.425 2.480 ( -8.596 0.357 -0.475) 8.617 2.870 ( -11.060 -0.806 -8.634) 14.055 3.087 ( -33.936 20.388 3.494) 39.743 3.394 ( -20.375 3.679 -19.894) 28.713 3.837 ( -6.755 -1.673 1.519) 7.123 4.026 ( -15.477 9.156 4.227) 18.472 4.479 ( -17.008 18.704 5.496) 25.871 6.271 ( 0.367 -4.178 16.046) 16.585 6.450 ( -10.301 9.234 1.846) 13.957 6.887 ( -2.287 -8.012 -1.871) 8.540 7.043 ( -9.523 -5.616 4.707) 12.016 7.612 ( 4.538 9.212 5.034) 11.437 7.921 ( 2.623 13.365 54.057) 55.747 8.172 ( 5.377 -15.598 1.042) 16.532 8.434 ( -6.394 -7.936 -4.040) 10.963 9.093 ( 11.596 -1.727 2.522) 11.992 9.575 ( 7.809 4.087 3.794) 9.596 10.929 ( -19.534 -9.482 -63.833) 67.426 11.075 ( 3.282 -7.063 -7.059) 10.511 11.972 ( 5.640 -0.095 -6.970) 8.967 12.068 ( 3.170 -3.480 -26.633) 27.046 12.411 ( 0.094 14.981 -1.534) 15.060 13.538 ( -1.136 -5.863 14.477) 15.660 14.108 ( 1.247 -4.939 -0.610) 5.131 14.281 ( -7.567 -0.023 -0.333) 7.575 15.042 ( 8.167 -5.522 -1.231) 9.935 15.263 ( 4.243 -6.526 0.476) 7.799 16.212 ( 9.295 -12.302 11.060) 18.975 16.886 ( -13.274 -5.627 -1.911) 14.543 18.163 ( 10.482 -11.464 -4.726) 16.236 19.991 ( -0.438 2.550 -0.218) 2.597 20.435 ( -16.404 7.652 -5.725) 18.985 21.907 ( 5.854 14.106 25.851) 30.025 23.378 ( 6.809 -3.436 5.734) 9.542 ======================= Grid point 116 (48/246) ======================= q-point: (-0.11 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -20.391 13.926 12.269) 27.573 1.029 ( -16.194 20.543 12.129) 28.834 2.132 ( -32.105 36.079 22.815) 53.413 2.674 ( -6.144 -0.730 0.472) 6.205 2.704 ( -9.037 2.099 6.295) 11.212 3.117 ( 0.078 -1.974 -0.846) 2.149 3.744 ( -6.404 8.952 4.248) 11.798 3.861 ( -4.405 6.088 3.091) 8.125 4.278 ( -11.720 20.354 12.771) 26.735 6.250 ( -9.526 9.100 4.325) 13.866 6.319 ( -6.706 -6.473 6.280) 11.238 6.643 ( -13.597 6.705 9.117) 17.691 7.148 ( 9.758 -13.907 -6.573) 18.216 7.676 ( -0.159 2.649 -0.305) 2.671 8.235 ( 1.686 -17.067 -2.720) 17.364 8.356 ( -0.864 -11.552 1.058) 11.633 8.515 ( -14.373 10.133 -1.360) 17.638 9.324 ( 22.379 -1.083 28.484) 36.240 9.710 ( 3.848 7.576 4.380) 9.560 9.786 ( -15.642 -2.770 -26.746) 31.108 11.161 ( 3.718 -7.106 -2.520) 8.407 12.048 ( 12.223 -3.217 -8.578) 15.275 12.103 ( 8.717 1.120 -4.401) 9.829 12.377 ( -2.022 13.198 -0.038) 13.352 13.591 ( 0.308 4.100 -0.235) 4.118 14.109 ( -0.659 -3.402 -1.546) 3.794 14.187 ( -3.830 0.248 3.947) 5.505 15.170 ( 6.745 -5.935 -3.854) 9.776 15.340 ( 3.896 -4.325 -2.547) 6.354 16.338 ( -0.508 -18.877 -2.876) 19.102 16.703 ( -6.368 -5.935 6.359) 10.780 18.277 ( 5.321 -10.420 -4.426) 12.509 19.969 ( -1.537 2.235 0.455) 2.750 20.212 ( -6.634 10.616 6.390) 14.055 22.126 ( -2.986 8.905 3.163) 9.911 23.469 ( 0.668 -3.363 -0.722) 3.504 ======================= Grid point 117 (49/246) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 9.100 26.558 8.512) 29.336 2.002 ( 16.821 35.064 9.274) 39.981 2.356 ( 2.421 -5.363 2.530) 6.405 2.632 ( -0.134 -6.000 10.647) 12.222 2.958 ( -5.634 35.855 28.829) 46.352 3.324 ( 14.418 -0.860 22.632) 26.849 4.013 ( 0.883 17.762 1.671) 17.862 4.203 ( 8.317 21.058 -2.018) 22.730 4.659 ( -9.964 22.227 16.637) 29.498 6.235 ( 6.650 2.619 -1.972) 7.414 6.372 ( -5.387 8.336 7.100) 12.203 6.579 ( -12.149 1.735 11.566) 16.864 7.063 ( 12.279 -8.713 -12.797) 19.760 7.457 ( -7.608 -11.113 1.324) 13.532 7.914 ( 3.743 -13.623 -1.087) 14.170 8.040 ( -12.001 -0.576 -7.836) 14.344 8.044 ( -19.334 13.744 -12.687) 26.901 9.322 ( -1.038 -5.449 -18.379) 19.198 9.477 ( -9.585 -4.145 -2.800) 10.812 10.964 ( 39.723 -14.518 49.268) 64.931 10.997 ( 5.785 -8.070 5.029) 11.130 12.158 ( 14.700 -13.286 9.449) 21.952 12.446 ( 10.314 13.081 -4.830) 17.344 12.552 ( -7.549 13.209 0.773) 15.234 13.893 ( 4.904 13.626 -17.783) 22.933 13.992 ( -3.627 -1.641 -3.975) 5.626 14.261 ( 4.138 10.432 6.527) 12.982 15.068 ( 0.813 -7.509 -7.179) 10.421 15.247 ( 0.292 -5.793 -4.791) 7.523 15.821 ( 2.163 -23.098 -10.810) 25.594 16.263 ( -15.958 -23.157 13.495) 31.193 18.020 ( 3.870 -18.356 -3.461) 19.076 20.206 ( 9.977 10.741 1.435) 14.730 20.424 ( -1.909 8.950 12.913) 15.827 21.967 ( -19.939 12.831 -13.198) 27.136 23.297 ( -4.297 -6.703 -6.854) 10.506 ======================= Grid point 118 (50/246) ======================= q-point: ( 0.11 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 12.960 21.070 10.576) 26.903 2.152 ( -2.455 29.954 9.841) 31.625 2.551 ( 13.706 -14.152 1.922) 19.794 2.700 ( -1.581 -8.859 13.001) 15.812 3.520 ( 26.503 28.439 36.828) 53.549 3.901 ( 21.664 -0.639 26.888) 34.536 4.108 ( 6.396 14.338 7.415) 17.363 4.420 ( 14.869 18.325 0.533) 23.604 4.643 ( -5.163 21.220 20.658) 30.062 6.342 ( -5.912 6.595 9.361) 12.887 6.416 ( 7.036 5.388 1.705) 9.025 6.500 ( 3.937 3.785 1.308) 5.616 7.057 ( -5.679 -1.487 -7.475) 9.504 7.357 ( -0.598 -6.890 -5.082) 8.583 7.494 ( -8.077 28.013 -11.437) 31.317 8.076 ( 6.897 -12.617 2.894) 14.668 8.093 ( 1.331 -13.598 8.663) 16.179 9.085 ( -9.023 -5.289 -16.581) 19.604 9.222 ( -8.791 -6.432 -12.079) 16.265 10.896 ( -4.834 -8.549 -7.179) 12.166 12.027 ( 20.698 -14.957 26.797) 37.017 12.430 ( -4.316 -5.066 14.532) 15.984 12.490 ( 10.023 0.721 4.660) 11.077 12.644 ( 8.682 0.948 7.005) 11.196 13.833 ( -10.324 3.251 2.687) 11.152 13.887 ( 6.296 2.934 -9.038) 11.399 14.374 ( 3.892 17.001 3.852) 17.861 14.920 ( -8.061 -7.634 -10.353) 15.180 15.122 ( -7.103 -6.186 -7.752) 12.199 15.918 ( 16.990 -23.823 -13.928) 32.407 16.019 ( -18.852 -25.067 9.270) 32.706 18.028 ( -0.900 -15.892 -2.514) 16.115 20.497 ( 16.352 10.647 6.818) 20.670 20.522 ( -0.547 9.521 16.468) 19.030 21.457 ( -15.477 20.529 -21.515) 33.524 23.099 ( -8.236 -7.027 -12.193) 16.306 ======================= Grid point 119 (51/246) ======================= q-point: ( 0.22 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -6.596 19.355 15.016) 25.369 2.276 ( 7.226 10.452 3.457) 13.168 2.772 ( 3.455 -4.884 12.825) 14.151 2.941 ( 22.569 -18.277 -1.213) 29.067 4.119 ( 3.353 15.307 20.360) 25.692 4.285 ( 13.939 8.848 3.559) 16.889 4.466 ( 12.484 5.762 10.368) 17.221 4.872 ( 23.287 7.612 26.249) 35.906 4.946 ( 17.051 17.507 29.921) 38.633 6.237 ( -11.373 3.595 9.265) 15.103 6.526 ( 7.573 1.871 0.285) 7.806 6.737 ( 12.936 10.997 -4.787) 17.640 6.828 ( -8.691 2.245 -3.388) 9.594 7.305 ( 0.904 9.280 -5.498) 10.824 7.445 ( 3.132 9.114 -1.349) 9.731 8.051 ( -8.029 -10.526 3.734) 13.755 8.225 ( 0.955 -8.435 -7.636) 11.418 8.795 ( -7.907 -1.794 -12.509) 14.907 9.074 ( 5.152 -5.951 -0.019) 7.871 10.691 ( -9.188 -8.261 -10.671) 16.326 12.216 ( -0.983 0.521 3.496) 3.669 12.402 ( -7.966 -1.663 5.844) 10.019 12.733 ( 2.205 -1.449 4.749) 5.433 12.840 ( 3.814 -9.252 2.910) 10.422 13.804 ( 0.766 3.143 24.410) 24.623 13.972 ( 3.763 -5.182 3.487) 7.292 14.461 ( -0.951 12.963 0.351) 13.002 14.661 ( -5.504 -6.210 -9.113) 12.325 14.910 ( -5.596 -6.541 -13.129) 15.700 15.696 ( -20.583 -23.015 6.393) 31.531 16.188 ( 21.930 -24.268 -14.808) 35.905 17.941 ( -6.519 -14.491 -1.192) 15.934 20.604 ( -3.333 13.324 10.197) 17.106 20.935 ( 20.910 8.143 9.408) 24.332 21.111 ( -3.621 14.972 -14.004) 20.818 22.796 ( -11.621 -7.376 -15.530) 20.752 ======================= Grid point 120 (52/246) ======================= q-point: ( 0.33 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -5.274 10.979 10.212) 15.895 2.321 ( -6.374 -8.423 8.048) 13.280 3.016 ( 13.603 9.684 3.634) 17.089 3.370 ( 22.162 -21.411 -5.791) 31.355 4.141 ( -9.000 14.967 15.248) 23.184 4.512 ( 4.327 -1.431 -4.749) 6.582 4.736 ( 11.278 3.916 10.801) 16.100 5.313 ( 0.932 -7.154 12.808) 14.700 5.632 ( 21.662 12.173 25.732) 35.771 6.135 ( -4.723 -0.025 1.213) 4.877 6.598 ( 0.028 12.422 0.697) 12.441 6.704 ( 3.106 4.910 -1.604) 6.027 6.961 ( 9.354 14.073 -2.422) 17.070 7.289 ( 1.959 1.628 -3.318) 4.183 7.531 ( 3.590 10.172 5.009) 11.894 7.819 ( -10.735 -8.126 -9.502) 16.479 8.137 ( -1.075 -6.943 2.859) 7.585 8.541 ( -11.531 2.618 -2.635) 12.114 9.449 ( 22.688 -0.992 10.630) 25.074 10.378 ( -12.549 -8.202 -14.953) 21.174 12.175 ( -4.611 -1.586 -2.213) 5.355 12.261 ( -8.624 -1.556 2.781) 9.194 12.714 ( -3.669 -0.616 0.720) 3.790 12.791 ( -6.484 -0.846 0.801) 6.587 14.003 ( -0.609 -5.044 1.069) 5.192 14.189 ( 5.107 -6.136 14.592) 16.634 14.270 ( -1.769 -2.281 -5.494) 6.207 14.613 ( -3.778 2.604 -1.875) 4.957 14.788 ( 3.924 -2.475 -2.812) 5.425 15.367 ( -18.085 -17.738 6.529) 26.160 16.505 ( 23.301 -25.387 -14.754) 37.485 17.771 ( -10.898 -14.506 1.228) 18.185 20.517 ( -3.604 17.080 -11.293) 20.790 21.079 ( 1.960 6.941 9.978) 12.312 21.462 ( 22.278 3.652 11.722) 25.437 22.421 ( -13.630 -7.011 -16.214) 22.312 ======================= Grid point 121 (53/246) ======================= q-point: ( 0.44 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -0.306 1.916 7.183) 7.440 2.209 ( -11.641 -11.892 8.616) 18.740 3.288 ( 13.883 13.317 -3.931) 19.636 3.529 ( -2.408 -3.664 -8.378) 9.456 4.181 ( 4.025 -1.587 6.128) 7.501 4.358 ( -13.401 -13.752 -3.657) 19.547 5.035 ( 6.105 -0.132 10.217) 11.902 5.203 ( -9.916 -0.613 1.105) 9.996 5.801 ( -18.900 -2.736 -25.719) 32.034 5.931 ( -0.292 5.109 -8.038) 9.529 6.680 ( -3.021 8.684 -1.908) 9.390 6.815 ( 9.733 10.713 11.162) 18.278 7.133 ( 7.894 15.078 7.384) 18.552 7.416 ( 9.682 -2.915 6.375) 11.953 7.623 ( 0.102 7.796 7.676) 10.941 7.649 ( 1.096 -6.487 -0.606) 6.606 8.199 ( -10.353 6.651 16.464) 20.554 8.457 ( 9.070 -0.763 9.741) 13.331 9.790 ( -6.784 -0.483 -7.559) 10.168 10.128 ( 9.979 -7.607 -2.463) 12.787 12.034 ( -3.655 -3.335 -8.572) 9.898 12.144 ( -6.004 -0.375 1.301) 6.155 12.638 ( -5.803 2.904 -0.046) 6.489 12.681 ( -2.826 -1.864 -0.490) 3.421 13.872 ( -9.342 -2.679 -21.270) 23.385 13.973 ( -5.284 -13.960 -15.011) 21.169 14.357 ( 1.601 -2.348 5.509) 6.199 14.823 ( 6.105 1.667 23.316) 24.160 14.870 ( 5.144 -4.268 1.592) 6.871 15.151 ( -8.729 -9.567 9.058) 15.804 16.838 ( 23.002 -26.013 -13.508) 37.258 17.555 ( -13.304 -15.520 3.314) 20.709 20.357 ( -0.787 14.120 -16.404) 21.658 21.259 ( 3.528 6.838 20.002) 21.431 21.789 ( -4.666 -2.684 -6.777) 8.655 22.198 ( 9.737 -3.505 3.862) 11.046 ======================= Grid point 122 (54/246) ======================= q-point: (-0.44 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -13.595 -8.296 5.347) 16.800 2.128 ( 3.812 -3.594 6.846) 8.620 3.212 ( -19.524 6.485 -8.729) 22.348 3.459 ( 7.597 15.457 -15.187) 22.962 3.900 ( -21.197 -17.903 -1.742) 27.800 4.331 ( -0.852 -9.700 -11.474) 15.049 4.876 ( -15.785 11.845 -0.281) 19.737 5.120 ( -7.077 -7.330 -14.448) 17.679 5.215 ( -22.291 3.834 -12.068) 25.637 5.792 ( 1.639 3.716 -2.609) 4.827 6.544 ( -2.590 2.030 -12.541) 12.965 6.961 ( -2.741 9.677 5.776) 11.599 7.343 ( 5.043 8.242 11.931) 15.353 7.610 ( 1.860 3.738 5.952) 7.271 7.618 ( -0.100 -8.150 1.075) 8.221 7.913 ( 0.864 7.497 29.282) 30.239 8.153 ( 3.466 5.907 16.066) 17.465 8.885 ( 17.780 0.329 18.365) 25.564 9.310 ( -21.861 -4.804 -20.394) 30.280 10.457 ( 14.680 -6.106 4.318) 16.475 11.890 ( -3.869 -4.917 -17.085) 18.194 12.025 ( -3.744 0.844 -6.279) 7.360 12.517 ( -1.273 4.025 -2.677) 4.999 12.734 ( 8.080 6.812 -8.355) 13.472 13.319 ( -20.015 -17.640 -22.922) 35.174 13.939 ( 2.796 -5.145 -1.583) 6.066 14.459 ( 2.352 -1.920 5.936) 6.668 14.824 ( -4.492 0.439 1.134) 4.653 14.982 ( -0.958 -7.914 4.189) 9.006 15.356 ( 10.586 -4.769 21.548) 24.477 17.114 ( 8.123 -21.277 -5.906) 23.528 17.364 ( -1.798 -20.788 -1.652) 20.931 20.233 ( 0.643 10.689 -14.611) 18.115 21.385 ( -15.878 -0.889 -12.481) 20.215 21.542 ( 3.619 8.232 21.456) 23.264 22.616 ( 18.024 -4.627 13.296) 22.870 ======================= Grid point 123 (55/246) ======================= q-point: (-0.33 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -13.120 1.202 -0.221) 13.177 2.260 ( 2.681 -3.949 6.760) 8.275 2.667 ( -24.970 8.008 -17.430) 31.486 3.195 ( -17.228 -4.561 -15.407) 23.558 3.646 ( -8.345 -1.616 -14.028) 16.402 3.986 ( -8.364 1.277 -17.746) 19.660 4.524 ( -27.509 18.723 -6.274) 33.863 4.628 ( -22.070 15.178 -2.028) 26.862 4.963 ( -4.827 2.780 -0.223) 5.575 5.958 ( 8.165 -6.218 9.120) 13.730 6.469 ( 6.114 -7.906 -12.278) 15.831 6.858 ( -10.069 10.200 3.242) 14.695 7.371 ( -15.371 3.604 12.894) 20.384 7.592 ( 1.490 -2.365 4.168) 5.019 7.751 ( 5.853 -10.157 0.251) 11.725 8.024 ( -6.866 22.007 34.731) 41.686 8.516 ( 2.966 -0.405 10.673) 11.085 8.792 ( -5.946 -8.529 -12.708) 16.419 9.335 ( 13.541 -0.060 15.540) 20.612 10.717 ( 10.386 -7.860 1.724) 13.139 11.523 ( -11.937 -6.378 -36.622) 39.042 11.971 ( 3.389 3.066 -5.557) 7.195 12.406 ( -11.992 -2.746 -46.860) 48.449 12.608 ( 6.103 8.989 1.649) 10.989 13.217 ( 8.203 -5.680 17.122) 19.817 13.981 ( 1.797 -3.377 -0.494) 3.857 14.459 ( -4.767 2.301 -1.730) 5.569 14.812 ( 3.177 -3.752 1.021) 5.022 15.010 ( 0.956 -7.904 4.453) 9.122 15.702 ( 8.311 -8.928 17.719) 21.511 16.950 ( -16.551 -15.422 4.356) 23.038 17.553 ( 18.261 -25.881 -10.449) 33.354 20.146 ( 0.716 8.048 -10.555) 13.292 20.944 ( -16.444 2.264 -12.882) 21.011 21.854 ( 6.725 11.188 25.546) 28.687 23.015 ( 12.894 -6.211 11.203) 18.175 ======================= Grid point 124 (56/246) ======================= q-point: (-0.22 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -6.531 17.661 -4.686) 19.404 1.951 ( -23.376 17.838 -21.091) 36.186 2.397 ( -0.273 -6.196 3.764) 7.255 2.789 ( -14.020 -6.681 -6.021) 16.656 3.243 ( -11.690 -1.537 -17.645) 21.222 3.807 ( -34.649 26.909 0.813) 43.878 3.936 ( 3.021 13.298 -7.148) 15.396 4.341 ( -14.266 19.068 5.526) 24.447 4.845 ( -9.470 15.869 6.084) 19.456 6.153 ( 3.154 -7.575 8.893) 12.100 6.539 ( 2.781 -10.945 -4.034) 11.992 6.717 ( 0.746 6.976 -3.844) 8.000 7.082 ( -22.007 4.147 9.989) 24.521 7.618 ( -1.768 -12.108 1.547) 12.334 7.842 ( 2.971 -10.486 1.091) 10.953 8.204 ( -9.881 -6.075 0.896) 11.634 8.372 ( 3.944 20.616 40.459) 45.579 9.022 ( 13.181 -4.584 3.478) 14.382 9.631 ( 6.762 0.351 10.024) 12.097 10.775 ( -28.582 -4.441 -55.695) 62.759 10.892 ( 7.070 -9.104 -0.434) 11.535 11.923 ( -1.027 -9.798 -29.955) 31.534 12.063 ( 9.512 7.388 -3.511) 12.546 12.732 ( 2.268 15.113 2.327) 15.458 13.569 ( 15.320 8.907 8.666) 19.727 14.003 ( 1.976 -4.611 -2.059) 5.423 14.308 ( -7.063 3.050 -4.162) 8.747 14.909 ( 6.426 -6.326 -2.050) 9.247 15.101 ( 4.798 -8.379 3.560) 10.291 15.927 ( 2.028 -14.336 11.599) 18.551 16.660 ( -17.053 -16.014 6.114) 24.179 17.791 ( 14.147 -24.079 -9.055) 29.359 20.092 ( 0.773 6.918 -6.261) 9.362 20.592 ( -11.601 6.454 -6.229) 14.665 22.162 ( 4.554 9.821 20.848) 23.491 23.273 ( 6.508 -6.688 6.340) 11.282 ======================= Grid point 125 (57/246) ======================= q-point: (-0.11 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -6.640 23.268 3.881) 24.506 1.597 ( 12.958 40.268 -9.067) 43.262 2.383 ( -3.889 -4.901 2.588) 6.771 2.600 ( -4.804 -5.273 3.829) 8.096 3.060 ( 1.061 -3.341 -0.453) 3.534 3.207 ( -31.086 37.309 16.230) 51.203 3.986 ( 5.257 16.207 -6.280) 18.159 4.170 ( -6.909 20.374 5.155) 22.123 4.732 ( -9.839 22.258 12.526) 27.370 6.204 ( -1.127 -4.612 1.890) 5.110 6.447 ( -8.012 7.531 5.638) 12.357 6.764 ( -16.822 4.915 11.216) 20.807 6.878 ( 15.376 -11.412 -12.009) 22.603 7.565 ( -4.421 -14.481 0.747) 15.159 7.879 ( 0.505 -13.545 0.703) 13.573 8.043 ( -4.813 -17.058 2.721) 17.932 8.799 ( -10.065 15.191 1.043) 18.253 9.310 ( 15.508 -0.539 13.159) 20.345 9.757 ( -23.744 1.430 -27.747) 36.548 9.859 ( 15.142 5.321 17.884) 24.030 10.987 ( 3.840 -8.952 -2.567) 10.073 11.885 ( 11.849 -11.334 -9.630) 19.016 12.252 ( 12.129 11.234 -3.039) 16.809 12.699 ( -5.791 17.154 -0.656) 18.117 13.869 ( 13.464 21.094 -9.534) 26.779 14.026 ( 2.021 -4.244 -3.029) 5.593 14.179 ( -3.782 -0.975 3.806) 5.453 15.018 ( 7.496 -7.836 -4.862) 11.884 15.214 ( 4.996 -7.487 -1.251) 9.087 15.934 ( -5.263 -19.275 -0.827) 19.998 16.434 ( -14.165 -18.740 12.442) 26.582 17.944 ( 8.321 -21.401 -6.241) 23.795 20.089 ( 3.397 8.350 -2.921) 9.476 20.420 ( -5.538 8.741 4.068) 11.118 22.273 ( -6.610 6.128 5.738) 10.685 23.363 ( 0.498 -6.697 -0.219) 6.719 ======================= Grid point 126 (58/246) ======================= q-point: ( 0.00 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 6.195 14.794 6.709) 17.385 2.198 ( 1.622 -4.159 1.049) 4.586 2.299 ( -2.127 -6.704 9.776) 12.043 2.862 ( 10.323 22.530 -4.104) 25.121 3.295 ( 22.002 7.635 18.924) 30.008 3.758 ( -5.909 33.446 23.237) 41.152 4.404 ( -1.043 19.092 -1.641) 19.191 4.674 ( 8.107 22.772 -5.922) 24.886 5.071 ( -7.230 16.736 6.170) 19.247 6.339 ( 12.679 7.336 3.200) 14.994 6.463 ( 1.804 -3.780 -3.223) 5.285 6.582 ( -14.957 0.312 14.745) 21.005 6.894 ( 10.465 -4.888 -9.472) 14.937 7.183 ( -2.929 -13.653 3.221) 14.330 7.628 ( 1.369 -12.576 6.135) 14.060 7.669 ( -2.031 -17.026 15.595) 23.178 8.688 ( -19.315 26.451 -21.415) 39.132 9.219 ( -4.567 -1.349 -22.444) 22.944 9.344 ( -13.277 -8.059 -3.856) 16.003 10.766 ( 9.313 -8.919 5.572) 14.048 10.882 ( 21.733 -1.087 36.263) 42.290 11.830 ( 13.106 -17.709 10.227) 24.289 12.745 ( 10.795 15.043 -7.588) 20.010 12.856 ( -10.576 15.041 -3.449) 18.708 13.961 ( -0.404 -1.237 -3.372) 3.614 14.025 ( -4.118 0.942 -7.334) 8.464 14.639 ( 12.186 18.448 -7.125) 23.229 14.932 ( -0.415 -2.101 -4.437) 4.927 15.127 ( 1.991 -4.761 -3.519) 6.246 15.384 ( -1.707 -16.722 -7.698) 18.488 15.758 ( -17.977 -23.959 13.078) 32.684 17.558 ( 7.363 -26.035 -4.016) 27.353 20.423 ( 10.665 9.556 1.681) 14.418 20.581 ( 0.153 5.942 10.001) 11.634 22.202 ( -13.000 10.799 -8.986) 19.141 23.128 ( -4.631 -9.425 -6.721) 12.468 ======================= Grid point 127 (59/246) ======================= q-point: ( 0.11 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 5.397 0.331 4.529) 7.054 2.277 ( 5.428 -11.086 1.689) 12.459 2.410 ( 3.650 9.934 14.631) 18.058 2.932 ( -0.112 23.239 2.273) 23.350 3.860 ( 14.788 1.552 28.198) 31.879 4.146 ( 21.895 27.451 22.732) 41.829 4.405 ( 2.660 13.258 -0.416) 13.528 4.780 ( 6.470 15.221 -2.387) 16.711 5.058 ( 1.140 18.734 12.716) 22.671 6.410 ( -11.913 -3.990 10.064) 16.097 6.482 ( 0.240 4.064 2.593) 4.827 6.664 ( 16.926 10.665 2.139) 20.120 6.964 ( -1.047 -4.082 -4.272) 6.001 7.150 ( 3.464 -10.685 -1.376) 11.317 7.798 ( -1.454 -11.843 20.716) 23.907 7.869 ( 16.544 -8.109 3.930) 18.839 8.214 ( -11.701 35.467 -16.089) 40.665 8.935 ( -7.720 -8.038 -20.181) 23.053 9.039 ( -12.043 -10.916 -9.061) 18.609 10.684 ( -5.247 -12.668 -7.770) 15.760 11.771 ( 25.491 -7.902 35.702) 44.574 12.166 ( 8.324 -15.092 16.093) 23.580 12.635 ( -7.861 10.698 0.944) 13.309 12.825 ( 2.630 10.286 -7.190) 12.823 13.868 ( -5.210 1.654 -1.752) 5.740 13.938 ( -0.596 0.603 -4.324) 4.406 14.714 ( -1.371 -2.975 -12.531) 12.952 14.775 ( -4.834 2.739 -4.304) 7.028 15.048 ( -5.626 5.664 -2.420) 8.342 15.445 ( 6.370 -20.249 -7.293) 22.445 15.528 ( -7.929 -18.436 3.510) 20.374 17.616 ( 0.196 -23.767 -0.451) 23.772 20.695 ( 5.030 7.893 13.236) 16.211 20.708 ( 10.950 8.224 8.849) 16.305 21.822 ( -13.642 15.679 -18.707) 27.962 22.922 ( -8.727 -9.969 -12.356) 18.116 ======================= Grid point 128 (60/246) ======================= q-point: ( 0.22 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -6.340 -7.731 6.086) 11.705 2.498 ( -8.728 21.170 13.172) 26.417 2.549 ( 18.843 -16.001 -1.923) 24.795 3.037 ( 10.640 19.572 3.372) 22.531 4.286 ( 6.252 -2.264 19.029) 20.157 4.478 ( 8.546 8.854 -2.022) 12.471 4.589 ( 3.066 10.704 11.650) 16.115 4.966 ( 12.060 4.497 9.604) 16.059 5.397 ( 16.664 20.749 25.108) 36.587 6.241 ( -11.776 -2.403 9.251) 15.167 6.571 ( 7.769 1.536 0.109) 7.920 6.887 ( -2.654 5.473 2.369) 6.527 7.004 ( 15.133 11.293 1.595) 18.950 7.233 ( 5.896 -7.775 -6.513) 11.732 7.843 ( -7.998 -7.323 7.549) 13.213 7.954 ( -4.591 25.521 -8.923) 27.423 8.106 ( 2.204 1.905 -11.240) 11.612 8.710 ( -2.399 -5.809 -10.470) 12.211 8.906 ( 7.105 -10.420 10.508) 16.416 10.467 ( -9.454 -14.214 -11.375) 20.514 12.209 ( 1.457 -1.535 5.325) 5.731 12.301 ( -4.629 -6.387 10.524) 13.152 12.694 ( 7.002 -2.416 8.411) 11.208 12.775 ( -3.262 2.661 -0.040) 4.210 13.837 ( 0.497 1.379 13.357) 13.438 13.922 ( -0.113 -1.309 0.655) 1.468 14.407 ( -11.166 -9.670 -15.011) 21.060 14.735 ( 1.903 -6.815 -16.996) 18.411 14.944 ( -5.172 19.682 6.133) 21.254 15.252 ( -13.400 -18.480 3.759) 23.134 15.696 ( 17.634 -19.832 -12.769) 29.450 17.553 ( -7.470 -22.855 2.502) 24.175 20.844 ( 0.459 9.982 14.994) 18.019 21.083 ( 17.225 5.643 9.828) 20.619 21.435 ( -9.372 15.890 -19.519) 26.857 22.611 ( -11.614 -10.447 -15.981) 22.347 ======================= Grid point 129 (61/246) ======================= q-point: ( 0.33 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -7.502 -7.595 5.168) 11.861 2.352 ( -13.830 19.514 10.091) 25.960 2.917 ( 21.768 -21.248 -5.532) 30.918 3.321 ( 15.006 16.406 1.229) 22.268 4.317 ( -9.754 -9.022 2.230) 13.472 4.521 ( -8.950 13.755 5.018) 17.160 4.752 ( 10.844 -2.144 5.222) 12.226 5.239 ( 4.112 -1.124 10.160) 11.018 5.861 ( 9.899 9.294 13.559) 19.189 6.167 ( -1.856 4.469 -1.024) 4.947 6.745 ( 9.103 1.202 -1.912) 9.379 6.901 ( 0.561 13.011 7.896) 15.230 7.212 ( 4.890 -4.596 -13.096) 14.715 7.277 ( 6.647 10.145 4.211) 12.839 7.630 ( -9.173 -7.974 -9.885) 15.667 7.824 ( -3.275 9.749 2.998) 10.713 8.066 ( 4.413 7.446 -0.701) 8.684 8.607 ( -7.249 4.361 7.686) 11.430 9.391 ( 23.536 -5.059 16.545) 29.210 10.146 ( -12.578 -14.760 -15.992) 25.136 12.143 ( -6.807 -1.336 -1.856) 7.181 12.216 ( -7.217 -2.401 3.692) 8.454 12.709 ( -4.577 0.406 0.664) 4.642 12.781 ( -1.963 -0.389 2.491) 3.196 13.872 ( -3.275 -6.969 -7.885) 11.021 14.037 ( -0.050 -6.941 -2.122) 7.258 14.218 ( 4.994 -1.898 5.455) 7.635 14.559 ( -2.865 -6.688 -11.067) 13.244 14.963 ( -1.334 15.657 10.469) 18.882 15.068 ( -8.926 -10.336 4.543) 14.393 15.946 ( 20.429 -25.924 -15.790) 36.589 17.383 ( -13.283 -22.892 5.743) 27.083 20.862 ( -3.941 15.792 -8.558) 18.389 21.247 ( -0.187 9.330 5.844) 11.011 21.514 ( 16.908 0.971 10.781) 20.076 22.244 ( -12.109 -9.988 -16.477) 22.757 ======================= Grid point 130 (62/246) ======================= q-point: ( 0.44 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -5.271 -4.017 2.324) 7.023 2.192 ( -9.532 12.556 8.314) 17.822 3.242 ( 16.403 -20.240 -9.801) 27.834 3.588 ( 12.474 13.377 -1.696) 18.370 3.982 ( -21.674 -18.794 -6.444) 29.402 4.364 ( -9.723 15.658 4.565) 18.988 4.962 ( 6.972 -7.093 -0.309) 9.951 5.267 ( -6.929 3.168 7.338) 10.578 5.772 ( -14.660 2.428 -27.099) 30.906 6.077 ( -0.462 7.772 -9.947) 12.631 6.764 ( -1.107 -0.410 -16.853) 16.895 7.043 ( 2.995 10.066 13.318) 16.960 7.243 ( 7.714 -10.899 -6.060) 14.663 7.413 ( 1.520 4.845 3.778) 6.329 7.588 ( 8.309 4.634 16.041) 18.650 7.839 ( -3.103 11.328 7.914) 14.162 8.297 ( 10.934 2.727 14.485) 18.353 8.557 ( -5.962 12.585 17.339) 22.239 9.702 ( -15.579 -9.729 -16.465) 24.667 9.943 ( 17.310 -9.540 8.271) 21.426 11.991 ( -4.765 -0.509 -5.675) 7.428 12.130 ( -4.779 -1.015 2.098) 5.318 12.649 ( -0.627 -0.336 0.689) 0.990 12.701 ( -5.657 2.020 -1.322) 6.151 13.648 ( -9.832 -12.781 -34.017) 37.645 13.831 ( -0.404 -3.261 -12.681) 13.100 14.350 ( 2.052 1.175 8.042) 8.383 14.717 ( 9.170 -5.254 15.250) 18.555 14.940 ( -6.217 0.809 2.907) 6.911 15.062 ( -0.354 4.520 15.914) 16.548 16.229 ( 23.068 -30.686 -17.654) 42.254 17.152 ( -16.554 -23.324 8.586) 29.862 20.654 ( -3.392 14.402 -19.248) 24.278 21.418 ( 4.569 8.409 19.832) 22.021 21.692 ( -7.435 -6.764 -12.014) 15.664 22.109 ( 11.419 -5.163 7.748) 14.733 ======================= Grid point 131 (63/246) ======================= q-point: (-0.44 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -0.751 3.655 -2.963) 4.765 2.141 ( -2.731 4.969 8.370) 10.110 3.262 ( -7.638 -4.566 -12.949) 15.712 3.470 ( -23.640 -19.245 -5.626) 30.998 3.760 ( 8.848 9.402 -10.445) 16.607 4.266 ( 0.657 6.535 -9.782) 11.783 4.893 ( -8.746 -11.248 -15.233) 20.858 5.148 ( -10.007 5.081 5.322) 12.421 5.279 ( -9.421 8.387 -20.145) 23.768 5.923 ( -5.924 7.635 -7.679) 12.343 6.546 ( -1.949 -1.768 -22.455) 22.609 7.127 ( -4.563 5.755 9.263) 11.821 7.333 ( 4.113 -13.354 -4.542) 14.692 7.483 ( 1.123 3.228 8.261) 8.940 7.782 ( -8.566 9.132 7.155) 14.421 8.039 ( 15.996 4.846 27.022) 31.773 8.449 ( -5.462 20.364 20.584) 29.465 8.844 ( 13.824 -2.626 18.031) 22.872 9.180 ( -21.152 -8.000 -17.617) 28.666 10.290 ( 12.144 -10.257 5.763) 16.908 11.834 ( -5.529 -0.206 -17.517) 18.370 12.041 ( -1.849 0.877 -4.417) 4.868 12.584 ( 0.407 2.204 -0.925) 2.425 12.802 ( 2.378 -9.716 8.320) 13.010 13.051 ( -7.241 3.140 -45.473) 46.153 13.866 ( 5.056 -2.925 0.009) 5.841 14.477 ( 3.628 3.718 7.701) 9.290 14.829 ( -5.756 0.219 2.795) 6.403 14.896 ( 0.928 -0.345 2.423) 2.617 15.271 ( 4.369 -2.921 22.984) 23.577 16.531 ( 21.218 -32.680 -16.189) 42.194 16.903 ( -15.289 -24.247 8.260) 29.831 20.461 ( -1.214 11.314 -17.821) 21.144 21.320 ( -12.992 -5.319 -17.522) 22.452 21.723 ( 7.483 9.071 22.831) 25.682 22.496 ( 15.366 -7.001 13.615) 21.691 ======================= Grid point 132 (64/246) ======================= q-point: (-0.33 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 4.972 15.155 -8.280) 17.971 2.197 ( 0.466 -1.200 8.515) 8.612 2.821 ( -21.205 0.570 -15.223) 26.110 3.013 ( -18.242 -5.227 -10.253) 21.569 3.633 ( -9.963 -1.212 -25.313) 27.230 4.180 ( 5.809 15.931 -15.757) 23.148 4.658 ( -5.084 -8.971 -16.017) 19.048 4.953 ( -14.386 14.205 7.243) 21.476 5.078 ( -2.520 11.320 -0.967) 11.637 5.830 ( 0.895 -4.376 -1.020) 4.582 6.389 ( 2.075 -0.431 -16.466) 16.601 7.043 ( -9.507 7.222 6.484) 13.586 7.308 ( -1.700 -16.739 -5.876) 17.822 7.476 ( -13.502 5.254 9.945) 17.573 7.695 ( -3.228 -1.039 6.752) 7.555 8.515 ( -15.912 7.755 3.120) 17.974 8.556 ( 13.773 -6.286 9.299) 17.768 8.588 ( -5.990 15.923 16.060) 23.396 9.293 ( 10.570 -3.691 19.729) 22.685 10.524 ( 9.352 -11.034 2.578) 14.692 11.447 ( -12.562 -0.689 -33.880) 36.141 12.041 ( 2.172 0.356 -7.787) 8.092 12.241 ( -15.340 -7.672 -35.964) 39.845 12.741 ( 10.716 3.530 5.752) 12.664 13.309 ( 22.918 12.069 6.971) 26.824 13.943 ( 1.611 -0.813 0.865) 2.002 14.557 ( 1.294 7.642 -4.704) 9.067 14.759 ( -2.332 -0.515 4.621) 5.202 14.914 ( -0.770 -0.803 4.225) 4.369 15.512 ( 2.387 -9.397 18.571) 20.949 16.543 ( -16.680 -23.554 8.230) 30.013 16.925 ( 19.992 -33.546 -15.040) 41.847 20.325 ( 0.446 9.128 -14.221) 16.904 20.952 ( -11.093 -1.791 -15.074) 18.801 22.060 ( 8.002 9.025 21.895) 24.997 22.860 ( 11.621 -8.657 11.624) 18.578 ======================= Grid point 133 (65/246) ======================= q-point: (-0.22 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 4.962 22.863 -7.367) 24.528 2.246 ( -2.045 -3.495 4.808) 6.286 2.351 ( -9.756 11.402 -15.787) 21.781 2.665 ( -8.993 0.212 -7.224) 11.538 3.186 ( -11.450 -2.920 -21.686) 24.697 4.218 ( -1.710 16.697 -5.808) 17.761 4.352 ( -6.213 18.008 -10.420) 21.713 4.751 ( -12.679 18.879 7.825) 24.050 5.120 ( 1.333 10.995 4.991) 12.148 5.938 ( 9.889 -11.955 -0.477) 15.523 6.353 ( 5.316 -3.947 -11.427) 13.207 6.908 ( -8.303 8.874 4.514) 12.964 7.174 ( -20.992 4.683 9.548) 23.532 7.222 ( -3.596 -20.738 -6.430) 22.008 7.701 ( -3.929 -7.087 7.387) 10.965 7.994 ( -19.439 -11.223 -8.349) 23.948 8.857 ( 7.392 13.227 20.656) 25.618 8.974 ( 12.594 8.547 20.983) 25.922 9.589 ( 5.975 -3.060 16.538) 17.848 10.670 ( -1.413 -8.358 -9.806) 12.962 10.797 ( -17.152 1.943 -33.987) 38.119 11.664 ( -4.380 -14.541 -25.651) 29.809 12.271 ( 13.977 12.296 -3.732) 18.986 12.991 ( 8.255 8.633 4.084) 12.624 13.815 ( 21.751 11.713 8.947) 26.274 13.944 ( -0.129 -0.533 -1.469) 1.568 14.451 ( -1.626 12.347 -15.378) 19.789 14.813 ( 3.089 -2.079 2.413) 4.437 14.964 ( 2.504 -3.392 4.782) 6.376 15.632 ( -3.349 -14.227 12.099) 18.974 16.254 ( -19.934 -22.233 11.075) 31.848 17.194 ( 19.042 -32.821 -14.272) 40.540 20.255 ( 2.368 8.351 -9.585) 12.931 20.679 ( -7.099 1.779 -8.441) 11.172 22.334 ( 3.614 7.539 15.901) 17.965 23.107 ( 6.137 -9.175 6.782) 12.955 ======================= Grid point 134 (66/246) ======================= q-point: (-0.11 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -1.811 19.516 0.196) 19.601 2.226 ( -4.056 -8.202 2.353) 9.448 2.275 ( 2.089 7.434 -0.695) 7.754 2.634 ( 13.805 25.227 -8.755) 30.060 2.973 ( 1.018 -5.147 -0.724) 5.297 3.911 ( -20.500 27.844 10.694) 36.193 4.405 ( 8.061 22.930 -9.853) 26.227 4.620 ( -4.136 21.686 3.587) 22.366 5.144 ( -3.861 16.331 5.712) 17.727 6.126 ( 8.256 -3.439 2.169) 9.203 6.407 ( 8.994 -9.871 -10.464) 16.965 6.806 ( -12.605 3.244 6.430) 14.517 6.848 ( -9.501 3.665 4.798) 11.257 7.173 ( 1.077 -19.005 -2.051) 19.145 7.651 ( -6.424 -11.935 7.040) 15.273 7.700 ( -9.874 -14.478 4.296) 18.043 9.012 ( -1.002 3.099 -2.694) 4.226 9.337 ( 3.741 2.149 10.527) 11.377 9.832 ( -19.981 8.551 -17.278) 27.764 10.000 ( 11.748 8.911 15.011) 21.041 10.806 ( 3.441 -8.589 -2.082) 9.484 11.589 ( 8.883 -17.115 -7.155) 20.567 12.531 ( 15.359 15.164 -4.478) 22.043 13.041 ( -4.260 14.521 -1.738) 15.233 13.950 ( 2.721 -2.461 -2.581) 4.485 14.145 ( -1.968 -2.000 5.494) 6.169 14.398 ( 17.441 27.452 -16.768) 36.591 14.891 ( 5.066 -2.739 -2.553) 6.300 15.065 ( 4.985 -5.606 0.096) 7.502 15.557 ( -9.592 -17.003 1.659) 19.592 15.990 ( -18.293 -22.801 14.566) 32.660 17.411 ( 13.417 -29.587 -9.340) 33.803 20.275 ( 5.855 8.930 -4.221) 11.482 20.556 ( -2.741 4.293 1.143) 5.220 22.406 ( -5.401 7.005 4.549) 9.947 23.197 ( 0.398 -9.224 0.112) 9.233 ======================= Grid point 135 (67/246) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -0.700 -5.357 2.139) 5.810 2.087 ( -4.150 -9.165 7.608) 12.614 2.478 ( 7.736 15.873 10.038) 20.312 2.959 ( 7.941 -6.142 8.816) 13.360 3.761 ( 17.589 27.883 3.871) 33.194 4.265 ( 1.128 11.935 11.915) 16.902 4.793 ( -3.398 18.700 -1.626) 19.076 5.055 ( 3.165 11.409 -9.426) 15.134 5.382 ( 0.150 15.516 -6.223) 16.718 6.177 ( 9.332 -19.310 -9.525) 23.467 6.508 ( 15.884 6.544 1.449) 17.241 6.627 ( -7.632 2.620 10.455) 13.207 6.885 ( -2.411 2.363 0.463) 3.408 6.952 ( 0.953 -7.384 4.203) 8.549 7.362 ( -1.452 -11.437 23.967) 26.595 7.395 ( 0.378 -10.162 13.327) 16.764 8.915 ( -6.156 0.406 -12.348) 13.804 9.126 ( -11.757 -9.852 -4.202) 15.904 9.553 ( -17.519 27.034 -25.474) 41.069 10.521 ( -3.115 -15.396 -9.634) 18.427 10.950 ( 23.174 6.790 37.450) 44.560 11.458 ( 14.423 -17.312 16.598) 27.986 13.037 ( 8.161 12.278 -10.335) 18.005 13.124 ( -8.505 9.579 -7.644) 14.917 13.947 ( 0.404 -0.030 -1.578) 1.629 14.003 ( -4.567 -2.169 -2.146) 5.493 14.686 ( 0.521 -3.636 -9.456) 10.144 14.894 ( -12.937 -10.705 -2.962) 17.051 15.041 ( 1.865 -2.366 -2.330) 3.809 15.321 ( -14.526 -15.680 6.945) 22.474 15.552 ( 13.170 29.936 -3.843) 32.930 16.955 ( 10.880 -31.904 -5.158) 34.101 20.585 ( 9.370 5.953 3.238) 11.564 20.664 ( 3.325 2.082 7.502) 8.466 22.431 ( -8.964 11.398 -7.839) 16.484 22.913 ( -5.243 -11.214 -6.914) 14.179 ======================= Grid point 136 (68/246) ======================= q-point: ( 0.11 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 7.302 -6.614 1.048) 9.908 2.093 ( -1.718 -7.133 6.086) 9.532 2.746 ( 8.966 16.566 13.162) 22.980 3.194 ( 6.551 0.185 9.889) 11.863 4.036 ( 5.153 15.827 14.909) 22.346 4.481 ( 6.390 2.265 9.740) 11.867 4.751 ( 2.284 19.718 -1.092) 19.880 5.009 ( -0.866 6.345 -3.148) 7.136 5.440 ( 8.334 18.848 6.422) 21.585 6.212 ( -4.620 -14.269 6.938) 16.525 6.554 ( -1.938 2.705 -1.558) 3.674 6.775 ( 13.555 -3.846 -7.987) 16.196 6.948 ( 4.778 2.631 4.600) 7.135 6.989 ( 2.247 -2.713 5.484) 6.518 7.655 ( 4.720 -0.739 34.480) 34.810 7.761 ( 22.754 -2.568 13.183) 26.423 8.634 ( -7.630 -2.663 -20.922) 22.429 8.772 ( -17.800 -11.715 -9.221) 23.219 9.100 ( -11.367 30.437 -19.567) 37.927 10.334 ( -7.261 -21.894 -11.025) 25.566 11.690 ( 22.278 -0.498 32.185) 39.146 11.892 ( 13.021 -10.584 20.965) 26.853 12.859 ( -11.550 9.972 -4.720) 15.972 12.995 ( -3.554 5.107 -10.723) 12.397 13.902 ( -2.566 1.549 -2.070) 3.643 13.933 ( -1.286 -0.422 -2.333) 2.697 14.543 ( -9.092 -7.232 -12.050) 16.738 14.656 ( -1.114 -10.599 -15.722) 18.993 15.054 ( 0.705 -7.584 -2.024) 7.881 15.125 ( -7.929 -11.004 0.931) 13.595 15.701 ( 3.074 30.358 2.043) 30.582 17.055 ( 0.979 -30.187 0.887) 30.216 20.824 ( 4.562 4.490 13.215) 14.684 20.839 ( 11.377 4.132 8.725) 14.921 22.131 ( -11.609 14.399 -16.135) 24.545 22.691 ( -9.294 -12.232 -13.025) 20.141 ======================= Grid point 137 (69/246) ======================= q-point: ( 0.22 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -2.390 -3.161 2.381) 4.623 2.263 ( 12.614 -11.145 -2.524) 17.021 2.933 ( -3.263 19.913 12.158) 23.558 3.362 ( 5.706 7.586 8.336) 12.633 4.224 ( 1.753 0.813 9.569) 9.762 4.534 ( 1.005 -3.410 -3.935) 5.303 4.854 ( 0.913 11.853 6.737) 13.665 5.039 ( 3.758 2.045 8.082) 9.145 5.776 ( 12.181 15.793 18.585) 27.262 6.184 ( -3.696 -3.416 13.654) 14.552 6.585 ( 8.714 1.556 -6.481) 10.970 6.949 ( 11.302 -8.314 -8.505) 16.407 7.040 ( 1.933 1.739 7.943) 8.358 7.170 ( 8.281 -0.697 4.792) 9.593 7.864 ( -8.465 10.216 8.695) 15.863 8.054 ( -4.722 2.729 -19.323) 20.078 8.458 ( 5.305 -1.746 -3.869) 6.795 8.637 ( 13.671 -13.271 22.070) 29.157 8.798 ( -6.679 27.354 -11.619) 30.461 10.073 ( -9.845 -24.201 -13.243) 29.292 12.166 ( 4.830 -1.936 11.334) 12.472 12.189 ( 2.208 -3.852 10.214) 11.137 12.713 ( -1.759 3.207 6.432) 7.399 12.812 ( -6.692 0.319 -2.582) 7.181 13.871 ( -0.191 1.627 2.321) 2.841 13.903 ( -0.845 -0.305 0.491) 1.023 14.253 ( -6.439 -3.993 -16.236) 17.917 14.518 ( 1.874 -13.041 -24.415) 27.743 14.975 ( -5.251 -6.606 2.431) 8.782 15.108 ( 4.114 -8.107 -4.483) 10.136 15.723 ( -2.940 25.073 5.204) 25.776 17.006 ( -8.488 -29.591 5.686) 31.305 21.020 ( 3.944 7.059 15.122) 17.149 21.155 ( 12.641 1.143 11.371) 17.041 21.762 ( -11.138 15.669 -19.421) 27.326 22.367 ( -11.557 -12.978 -16.842) 24.200 ======================= Grid point 138 (70/246) ======================= q-point: ( 0.33 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -0.397 1.992 -1.403) 2.469 2.508 ( 16.658 -17.756 -6.522) 25.206 2.802 ( -16.613 23.035 9.128) 29.831 3.545 ( 2.758 -0.813 9.157) 9.598 4.140 ( -7.845 -0.050 -8.621) 11.656 4.612 ( 8.876 -9.819 -3.456) 13.680 4.855 ( -6.703 14.267 9.661) 18.488 5.209 ( 2.199 -2.707 12.281) 12.766 6.057 ( 4.641 10.469 8.869) 14.484 6.279 ( 1.977 4.273 -0.362) 4.722 6.729 ( 9.698 -1.536 -8.240) 12.818 7.008 ( 3.355 -12.381 -19.068) 22.981 7.134 ( 1.295 8.667 10.144) 13.405 7.331 ( 2.989 -3.771 5.350) 7.195 7.648 ( -4.694 6.609 -4.708) 9.374 7.807 ( -2.714 -3.753 1.842) 4.985 8.525 ( -0.374 27.369 -7.650) 28.421 8.761 ( 1.715 12.037 17.076) 20.962 9.227 ( 21.628 -10.836 21.109) 32.106 9.753 ( -11.194 -23.146 -15.870) 30.214 12.127 ( -7.001 -0.025 -0.743) 7.041 12.174 ( -4.991 -1.674 2.190) 5.702 12.730 ( -3.764 1.424 0.977) 4.142 12.772 ( -0.952 -0.544 4.407) 4.541 13.768 ( -3.107 -1.855 -19.927) 20.252 13.919 ( -0.277 -5.226 -12.398) 13.457 14.199 ( 6.704 0.272 7.089) 9.760 14.394 ( 4.016 -8.605 -8.289) 12.605 14.935 ( -1.313 -2.157 1.823) 3.114 15.163 ( 3.931 -5.559 -1.664) 7.009 15.705 ( -1.570 12.398 3.039) 12.861 16.838 ( -15.001 -29.188 9.876) 34.271 21.156 ( -0.846 12.384 -0.291) 12.416 21.452 ( 2.007 6.314 1.872) 6.884 21.506 ( 5.565 2.311 4.606) 7.585 22.011 ( -10.236 -12.370 -15.899) 22.596 ======================= Grid point 139 (71/246) ======================= q-point: ( 0.44 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 5.372 8.673 -5.627) 11.651 2.533 ( -16.424 19.579 7.037) 26.506 2.789 ( 18.860 -22.167 -9.939) 30.755 3.442 ( -20.161 -21.856 5.717) 30.279 4.022 ( 6.120 17.174 -13.414) 22.634 4.672 ( -3.629 1.964 -6.234) 7.476 4.792 ( -1.264 1.570 1.342) 2.422 5.244 ( -8.120 -5.478 8.240) 12.800 5.937 ( -10.613 12.182 -25.013) 29.777 6.222 ( -0.676 5.101 -9.426) 10.739 6.687 ( 0.246 -5.235 -26.275) 26.793 6.945 ( 6.694 -14.512 -8.861) 18.274 7.243 ( 0.291 7.577 11.239) 13.557 7.420 ( 1.110 -1.285 8.395) 8.565 7.749 ( 6.806 7.285 18.927) 21.392 7.963 ( 3.242 -0.946 18.773) 19.074 8.485 ( 3.497 17.472 -2.548) 18.000 8.925 ( -1.410 21.091 20.906) 29.730 9.382 ( -12.618 -19.903 -18.449) 29.928 9.717 ( 13.201 -13.519 15.127) 24.204 12.012 ( -3.450 2.307 -2.388) 4.788 12.105 ( -3.638 -1.398 1.105) 4.051 12.662 ( -2.270 1.275 -0.984) 2.783 12.714 ( -5.390 -0.686 -3.002) 6.208 13.498 ( -1.997 -1.006 -36.822) 36.890 13.738 ( 2.637 -6.168 -19.789) 20.895 14.401 ( 6.053 3.753 11.373) 13.419 14.617 ( 10.352 -5.010 14.512) 18.516 14.931 ( -0.381 1.395 0.284) 1.473 15.219 ( -0.657 1.410 7.018) 7.189 15.743 ( 7.463 -7.265 -5.999) 12.019 16.608 ( -18.166 -28.377 13.022) 36.122 20.953 ( -5.779 14.412 -20.211) 25.487 21.495 ( -7.544 -9.782 -15.238) 19.616 21.618 ( 5.577 8.352 16.482) 19.301 21.980 ( 10.538 -7.362 11.418) 17.194 ======================= Grid point 140 (72/246) ======================= q-point: (-0.44 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 11.960 16.331 -9.820) 22.498 2.326 ( -10.402 12.476 6.555) 17.516 2.995 ( -6.467 -18.008 -6.734) 20.284 3.059 ( -2.979 -20.844 -5.785) 21.836 3.990 ( -1.982 13.291 -15.278) 20.347 4.488 ( -1.024 4.821 -16.909) 17.613 4.678 ( -8.769 -2.657 -13.935) 16.677 5.089 ( -5.310 -6.943 -1.623) 8.890 5.578 ( -7.570 15.818 -14.288) 22.620 6.019 ( -9.005 -0.729 -12.745) 15.622 6.532 ( 3.463 2.905 -21.228) 21.704 6.989 ( 3.218 -14.878 -7.850) 17.127 7.286 ( -5.403 5.563 9.996) 12.651 7.486 ( -1.165 -2.558 9.040) 9.467 7.984 ( -7.652 9.473 7.191) 14.142 8.136 ( 8.506 3.959 23.084) 24.918 8.665 ( 7.725 -0.274 11.664) 13.993 8.949 ( -16.099 -6.650 -11.089) 20.648 9.089 ( 0.540 19.819 19.706) 27.954 10.015 ( 8.878 -16.707 9.366) 21.111 11.878 ( -6.368 4.156 -16.702) 18.351 12.054 ( -0.269 -0.516 -2.210) 2.285 12.546 ( -9.859 -7.877 -16.043) 20.411 12.587 ( 0.296 -3.025 -4.020) 5.040 13.292 ( 13.250 14.903 -21.437) 29.278 13.781 ( 8.454 -6.082 -2.807) 10.786 14.610 ( 6.257 8.409 9.892) 14.412 14.857 ( 3.047 1.016 6.679) 7.411 14.922 ( 0.355 3.262 0.804) 3.378 15.260 ( -4.133 1.103 16.525) 17.070 15.894 ( 16.237 -23.851 -14.945) 32.494 16.364 ( -17.985 -27.043 13.470) 35.160 20.702 ( -3.272 11.964 -19.799) 23.363 21.167 ( -9.050 -9.244 -19.686) 23.556 21.918 ( 9.025 9.814 19.832) 23.897 22.328 ( 12.771 -9.100 14.532) 21.380 ======================= Grid point 141 (73/246) ======================= q-point: (-0.33 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -6.099 4.405 6.672) 10.056 2.355 ( 13.820 21.252 -11.187) 27.709 2.620 ( -17.740 -12.421 -1.269) 21.694 3.020 ( -2.874 -3.407 -15.194) 15.834 3.667 ( -11.011 7.035 -28.863) 31.683 4.331 ( 2.986 -19.192 -22.379) 29.632 4.551 ( 10.262 17.751 -14.186) 24.933 5.049 ( -1.705 -3.488 3.408) 5.166 5.392 ( -5.189 15.833 -2.841) 16.902 5.781 ( -6.194 -2.382 -5.915) 8.890 6.442 ( 2.665 5.961 -16.942) 18.156 6.936 ( -0.408 -15.980 -11.254) 19.549 7.207 ( -10.099 6.738 9.663) 15.516 7.509 ( -5.201 -4.429 9.622) 11.800 7.745 ( -18.538 8.008 3.212) 20.448 8.251 ( -15.351 -14.445 -12.373) 24.442 8.658 ( 2.752 7.319 18.000) 19.625 8.970 ( 5.032 1.978 18.230) 19.014 9.343 ( 6.583 17.640 23.519) 30.127 10.243 ( 8.759 -16.631 6.680) 19.948 11.489 ( -12.681 4.421 -31.491) 34.235 11.849 ( -15.424 -12.654 -27.725) 34.157 12.319 ( 8.096 10.018 -7.556) 14.933 12.726 ( 12.889 -5.220 3.582) 14.360 13.602 ( 20.805 14.111 2.925) 25.308 13.921 ( 4.519 -2.005 2.727) 5.646 14.785 ( 8.418 13.264 -1.310) 15.764 14.834 ( -4.246 9.017 1.595) 10.093 14.972 ( -0.342 5.432 4.929) 7.342 15.323 ( -4.227 -8.204 17.215) 19.533 16.009 ( -6.777 -26.065 2.696) 27.067 16.233 ( 10.094 -31.346 -9.907) 34.389 20.520 ( -0.517 9.525 -16.583) 19.130 20.869 ( -6.450 -6.087 -16.971) 19.148 22.246 ( 8.734 9.329 17.646) 21.788 22.664 ( 10.453 -10.155 12.393) 19.131 ======================= Grid point 142 (74/246) ======================= q-point: (-0.22 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -6.784 -2.159 5.364) 8.914 2.316 ( -12.652 -7.960 1.654) 15.039 2.435 ( -0.714 17.421 -9.098) 19.666 2.877 ( 2.644 2.594 -10.689) 11.312 3.275 ( 0.536 19.876 -29.605) 35.662 4.296 ( 3.988 -12.271 -11.014) 16.964 4.707 ( 15.524 17.510 -12.253) 26.414 5.023 ( -5.749 5.394 6.812) 10.419 5.352 ( 2.453 12.654 -0.844) 12.917 5.749 ( 6.966 -6.224 -1.695) 9.494 6.360 ( 1.868 4.179 -14.771) 15.464 6.817 ( -1.236 -17.180 -13.036) 21.601 7.084 ( -10.257 8.335 9.437) 16.240 7.300 ( -22.155 7.112 5.772) 23.974 7.520 ( -9.714 -9.749 10.440) 17.274 7.752 ( -22.032 -11.972 -6.755) 25.968 8.912 ( 6.198 3.258 11.733) 13.663 9.189 ( 2.671 -2.444 15.332) 15.754 9.705 ( 11.112 18.177 26.440) 33.955 10.459 ( 8.372 -12.429 4.701) 15.706 10.897 ( -20.723 6.987 -35.230) 41.466 11.351 ( -9.034 -14.831 -25.135) 30.551 12.556 ( 17.253 14.722 -2.903) 22.865 13.043 ( 14.983 -4.036 2.265) 15.682 13.953 ( 3.315 2.998 1.921) 4.865 13.994 ( 6.086 3.229 8.648) 11.057 14.761 ( -0.647 11.813 -5.228) 12.934 14.947 ( 11.719 18.482 -5.531) 22.572 14.996 ( -0.871 7.557 5.064) 9.139 15.338 ( -6.924 -14.030 11.992) 19.713 15.790 ( -17.444 -20.452 10.386) 28.817 16.469 ( 22.183 -36.280 -18.561) 46.399 20.424 ( 2.364 7.791 -11.178) 13.829 20.666 ( -2.929 -2.891 -10.533) 11.308 22.497 ( 4.294 8.517 11.715) 15.107 22.902 ( 5.766 -10.352 7.382) 13.961 ======================= Grid point 143 (75/246) ======================= q-point: (-0.11 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -6.954 -4.955 2.959) 9.037 2.151 ( -8.194 -8.101 6.036) 13.008 2.349 ( 0.246 15.253 -0.216) 15.256 2.839 ( 0.375 -8.002 -1.036) 8.077 3.373 ( 22.983 36.204 -12.850) 44.767 4.257 ( -3.565 3.132 2.137) 5.205 4.853 ( 2.349 18.070 -4.386) 18.742 5.001 ( 4.866 12.960 -2.745) 14.113 5.410 ( 3.591 11.892 -4.827) 13.327 5.980 ( 16.456 -11.391 -3.823) 20.375 6.308 ( 5.553 2.477 -9.969) 11.677 6.702 ( -3.853 -13.450 -2.996) 14.308 6.966 ( -8.766 5.927 6.516) 12.427 6.992 ( -12.364 3.839 7.707) 15.067 7.369 ( -12.213 -12.777 8.225) 19.496 7.446 ( -11.650 -12.015 10.554) 19.786 9.026 ( 0.388 1.039 -0.396) 1.178 9.269 ( -3.842 -7.720 5.898) 10.447 10.170 ( -22.225 19.016 -30.310) 42.122 10.224 ( 18.557 14.802 30.720) 38.822 10.626 ( 2.478 -8.998 -1.475) 9.448 11.183 ( 5.272 -21.870 -3.478) 22.764 12.856 ( 16.315 15.613 -5.816) 23.319 13.234 ( 3.843 2.682 -4.146) 6.257 13.942 ( -0.280 1.819 -0.327) 1.869 14.092 ( -3.231 -3.211 3.442) 5.709 14.728 ( 0.260 4.585 -3.821) 5.974 15.020 ( 0.366 3.425 2.145) 4.058 15.094 ( -1.013 4.617 -2.331) 5.270 15.319 ( 8.179 8.690 -2.181) 12.131 15.549 ( -15.858 -16.926 9.149) 24.933 16.739 ( 18.550 -34.827 -12.717) 41.458 20.441 ( 5.858 6.838 -4.033) 9.866 20.597 ( 0.716 -0.229 -1.347) 1.543 22.570 ( -2.884 8.928 2.517) 9.714 22.990 ( 0.060 -10.524 0.406) 10.532 ======================= Grid point 144 (76/246) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -2.578 -2.612 5.772) 6.840 1.956 ( -2.578 2.612 5.772) 6.840 2.766 ( 8.055 -11.820 10.415) 17.693 2.766 ( 8.055 11.820 10.415) 17.693 4.221 ( 7.755 -14.310 4.497) 16.886 4.221 ( 7.755 14.310 4.497) 16.886 5.096 ( -0.336 -7.474 -5.518) 9.296 5.096 ( -0.336 7.474 -5.518) 9.296 5.754 ( 6.214 -20.090 -11.364) 23.903 5.754 ( 6.214 20.090 -11.364) 23.903 6.610 ( 8.768 -4.094 0.556) 9.693 6.610 ( 8.768 4.094 0.556) 9.693 6.913 ( -5.408 -0.929 5.394) 7.694 6.913 ( -5.408 0.929 5.394) 7.694 7.250 ( 1.540 -2.006 24.329) 24.460 7.250 ( 1.540 2.006 24.329) 24.460 8.959 ( -10.058 -5.281 -8.572) 14.231 8.959 ( -10.058 5.281 -8.572) 14.231 10.108 ( -11.004 -24.398 -17.960) 32.232 10.108 ( -11.004 24.398 -17.960) 32.232 11.148 ( 18.808 -12.295 27.616) 35.602 11.148 ( 18.808 12.295 27.616) 35.602 13.204 ( 0.071 -2.564 -10.828) 11.128 13.204 ( 0.071 2.564 -10.828) 11.128 13.961 ( -1.791 -1.459 -0.750) 2.429 13.961 ( -1.791 1.459 -0.750) 2.429 14.696 ( -8.402 -5.692 -4.828) 11.238 14.696 ( -8.402 5.692 -4.828) 11.238 15.085 ( -6.796 -6.587 2.451) 9.777 15.085 ( -6.796 6.587 2.451) 9.777 16.256 ( 13.475 -35.028 -5.933) 37.996 16.256 ( 13.475 35.028 -5.933) 37.996 20.666 ( 6.694 -1.896 5.292) 8.741 20.666 ( 6.694 1.896 5.292) 8.741 22.672 ( -6.536 -11.828 -7.326) 15.372 22.672 ( -6.536 11.828 -7.326) 15.372 ======================= Grid point 146 (77/246) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 2.980 -0.657 3.907) 4.958 2.008 ( 2.980 0.657 3.907) 4.958 3.047 ( 9.567 -11.985 13.737) 20.589 3.047 ( 9.567 11.985 13.737) 20.589 4.363 ( 1.522 -12.511 6.926) 14.381 4.363 ( 1.522 12.511 6.926) 14.381 5.023 ( -2.116 -5.668 -2.608) 6.588 5.023 ( -2.116 5.668 -2.608) 6.588 5.848 ( 6.095 -19.890 5.381) 21.488 5.848 ( 6.095 19.890 5.381) 21.488 6.638 ( 2.708 -6.173 -7.469) 10.061 6.638 ( 2.708 6.173 -7.469) 10.061 6.979 ( 3.555 -0.791 7.059) 7.943 6.979 ( 3.555 0.791 7.059) 7.943 7.714 ( 20.205 -3.408 31.071) 37.219 7.714 ( 20.205 3.408 31.071) 37.219 8.595 ( -15.685 -3.219 -19.076) 24.906 8.595 ( -15.685 3.219 -19.076) 24.906 9.778 ( -9.985 -31.200 -15.091) 36.068 9.778 ( -9.985 31.200 -15.091) 36.068 11.735 ( 17.877 -4.765 26.869) 32.623 11.735 ( 17.877 4.765 26.869) 32.623 13.010 ( -9.860 -3.746 -9.465) 14.172 13.010 ( -9.860 3.746 -9.465) 14.172 13.926 ( -0.967 -0.623 -2.092) 2.388 13.926 ( -0.967 0.623 -2.092) 2.388 14.490 ( -5.290 -3.236 -13.934) 15.252 14.490 ( -5.290 3.236 -13.934) 15.252 14.992 ( -3.130 -1.801 -0.900) 3.721 14.992 ( -3.130 1.801 -0.900) 3.721 16.386 ( 1.694 -33.751 1.634) 33.833 16.386 ( 1.694 33.751 1.634) 33.833 20.876 ( 7.966 -0.481 11.027) 13.612 20.876 ( 7.966 0.481 11.027) 13.612 22.421 ( -10.174 -13.654 -14.279) 22.223 22.421 ( -10.174 13.654 -14.279) 22.223 ======================= Grid point 148 (78/246) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 5.109 -4.438 -0.966) 6.836 2.100 ( 5.109 4.438 -0.966) 6.836 3.286 ( 2.312 -12.753 12.787) 18.206 3.286 ( 2.312 12.753 12.787) 18.206 4.371 ( -2.365 -10.531 -0.878) 10.829 4.371 ( -2.365 10.531 -0.878) 10.829 5.023 ( 0.535 -4.187 6.611) 7.844 5.023 ( 0.535 4.187 6.611) 7.844 6.048 ( 5.229 -10.200 16.193) 19.839 6.048 ( 5.229 10.200 16.193) 19.839 6.709 ( 11.609 -10.505 -11.067) 19.173 6.709 ( 11.609 10.505 -11.067) 19.173 7.114 ( 3.451 -3.466 9.656) 10.824 7.114 ( 3.451 3.466 9.656) 10.824 8.095 ( -17.270 -4.633 -19.195) 26.233 8.095 ( -17.270 4.633 -19.195) 26.233 8.388 ( 22.912 -4.326 25.610) 34.634 8.388 ( 22.912 4.326 25.610) 34.634 9.478 ( -9.265 -32.468 -14.168) 36.616 9.478 ( -9.265 32.468 -14.168) 36.616 12.147 ( 5.199 -0.344 12.002) 13.084 12.147 ( 5.199 0.344 12.002) 13.084 12.784 ( -6.514 -2.855 0.424) 7.125 12.784 ( -6.514 2.855 0.424) 7.125 13.897 ( -0.515 -0.742 -1.281) 1.568 13.897 ( -0.515 0.742 -1.281) 1.568 14.283 ( -0.956 -7.357 -20.515) 21.815 14.283 ( -0.956 7.357 -20.515) 21.815 14.957 ( 0.578 -4.077 -1.929) 4.547 14.957 ( 0.578 4.077 -1.929) 4.547 16.355 ( -8.221 -32.482 7.378) 34.309 16.355 ( -8.221 32.482 7.378) 34.309 21.130 ( 8.018 -3.397 13.449) 16.022 21.130 ( 8.018 3.397 13.449) 16.022 22.078 ( -11.498 -14.780 -18.081) 26.030 22.078 ( -11.498 14.780 -18.081) 26.030 ======================= Grid point 150 (79/246) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 8.794 -11.448 -5.735) 15.533 2.200 ( 8.794 11.448 -5.735) 15.533 3.267 ( -13.877 -20.734 9.604) 26.734 3.267 ( -13.877 20.734 9.604) 26.734 4.345 ( 4.828 -14.420 -7.877) 17.126 4.345 ( 4.828 14.420 -7.877) 17.126 5.098 ( -2.369 -8.516 11.615) 14.596 5.098 ( -2.369 8.516 11.615) 14.596 6.259 ( 4.688 -6.968 7.148) 11.029 6.259 ( 4.688 6.968 7.148) 11.029 6.775 ( 4.731 -7.744 -20.683) 22.586 6.775 ( 4.731 7.744 -20.683) 22.586 7.258 ( 2.697 -3.820 10.889) 11.850 7.258 ( 2.697 3.820 10.889) 11.850 7.743 ( -4.689 -2.883 -2.823) 6.186 7.743 ( -4.689 2.883 -2.823) 6.186 8.955 ( 14.509 -15.096 19.035) 28.297 8.955 ( 14.509 15.096 19.035) 28.297 9.210 ( -6.970 -28.043 -9.657) 30.467 9.210 ( -6.970 28.043 -9.657) 30.467 12.143 ( -5.272 -1.314 0.354) 5.445 12.143 ( -5.272 1.314 0.354) 5.445 12.757 ( -2.080 -0.977 3.221) 3.957 12.757 ( -2.080 0.977 3.221) 3.957 13.807 ( -1.139 -4.895 -22.879) 23.425 13.807 ( -1.139 4.895 -22.879) 23.425 14.246 ( 7.449 -4.787 1.818) 9.039 14.246 ( 7.449 4.787 1.818) 9.039 14.980 ( 3.571 -6.566 -2.699) 7.946 14.980 ( 3.571 6.566 -2.699) 7.946 16.213 ( -13.805 -29.950 11.479) 34.919 16.213 ( -13.805 29.950 11.479) 34.919 21.367 ( 5.117 -7.849 7.390) 11.933 21.367 ( 5.117 7.849 7.390) 11.933 21.742 ( -7.589 -13.319 -12.449) 19.748 21.742 ( -7.589 13.319 -12.449) 19.748 ======================= Grid point 152 (80/246) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 14.479 -18.261 -9.632) 25.216 2.361 ( 14.479 18.261 -9.632) 25.216 2.975 ( -20.557 -22.450 5.487) 30.931 2.975 ( -20.557 22.450 5.487) 30.931 4.394 ( 6.044 -17.528 -11.644) 21.894 4.394 ( 6.044 17.528 -11.644) 21.894 5.055 ( -9.648 -12.460 5.256) 16.612 5.055 ( -9.648 12.460 5.256) 16.612 6.188 ( -7.310 -9.430 -19.478) 22.842 6.188 ( -7.310 9.430 -19.478) 22.842 6.692 ( 6.559 -7.854 -15.541) 18.608 6.692 ( 6.559 7.854 -15.541) 18.608 7.367 ( -0.381 -4.167 10.055) 10.891 7.367 ( -0.381 4.167 10.055) 10.891 7.879 ( 6.384 -5.585 21.102) 22.743 7.879 ( 6.384 5.585 21.102) 22.743 8.927 ( -6.158 -23.045 -13.227) 27.276 8.927 ( -6.158 23.045 -13.227) 27.276 9.365 ( 6.191 -20.095 18.943) 28.301 9.365 ( 6.191 20.095 18.943) 28.301 12.066 ( -2.691 -2.424 -0.242) 3.630 12.066 ( -2.691 2.424 -0.242) 3.630 12.689 ( -5.061 -1.313 -3.822) 6.476 12.689 ( -5.061 1.313 -3.822) 6.476 13.584 ( 3.937 -7.615 -30.242) 31.433 13.584 ( 3.937 7.615 -30.242) 31.433 14.502 ( 10.164 -5.703 12.892) 17.379 14.502 ( 10.164 5.703 12.892) 17.379 15.042 ( 5.365 -9.696 -3.701) 11.683 15.042 ( 5.365 9.696 -3.701) 11.683 16.030 ( -15.173 -25.544 13.284) 32.545 16.030 ( -15.173 25.544 13.284) 32.545 21.244 ( -7.424 -13.488 -19.451) 24.807 21.244 ( -7.424 13.488 -19.451) 24.807 21.808 ( 8.358 -9.096 14.895) 19.350 21.808 ( 8.358 9.096 14.895) 19.350 ======================= Grid point 154 (81/246) ======================= q-point: (-0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 15.838 -20.609 -11.910) 28.590 2.587 ( 15.838 20.609 -11.910) 28.590 2.640 ( -15.551 -16.474 3.255) 22.887 2.640 ( -15.551 16.474 3.255) 22.887 4.285 ( -6.554 -14.459 -19.397) 25.066 4.285 ( -6.554 14.459 -19.397) 25.066 4.888 ( -3.086 -12.328 -7.030) 14.523 4.888 ( -3.086 12.328 -7.030) 14.523 5.874 ( -7.977 -11.876 -15.463) 21.066 5.874 ( -7.977 11.876 -15.463) 21.066 6.699 ( 4.378 -12.144 -13.305) 18.538 6.699 ( 4.378 12.144 -13.305) 18.538 7.401 ( -4.511 -5.170 10.342) 12.411 7.401 ( -4.511 5.170 10.342) 12.411 8.138 ( 0.170 -4.500 14.613) 15.291 8.138 ( 0.170 4.500 14.613) 15.291 8.739 ( -4.664 -8.611 -0.521) 9.806 8.739 ( -4.664 8.611 -0.521) 9.806 9.595 ( 4.702 -23.608 15.349) 28.549 9.595 ( 4.702 23.608 15.349) 28.549 11.985 ( -4.447 -5.453 -10.530) 12.665 11.985 ( -4.447 5.453 -10.530) 12.665 12.510 ( -3.578 -3.164 -11.651) 12.592 12.510 ( -3.578 3.164 -11.651) 12.592 13.590 ( 13.444 -12.528 -10.393) 21.112 13.590 ( 13.444 12.528 -10.393) 21.112 14.781 ( 8.471 -7.098 10.950) 15.557 14.781 ( 8.471 7.098 10.950) 15.557 15.111 ( 4.689 -13.480 -4.406) 14.937 15.111 ( 4.689 13.480 -4.406) 14.937 15.859 ( -12.419 -18.336 10.681) 24.587 15.859 ( -12.419 18.336 10.681) 24.587 20.949 ( -5.812 -11.583 -20.489) 24.243 20.949 ( -5.812 11.583 -20.489) 24.243 22.127 ( 10.637 -10.117 16.644) 22.192 22.127 ( 10.637 10.117 16.644) 22.192 ======================= Grid point 156 (82/246) ======================= q-point: (-0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -12.748 -9.545 2.996) 16.205 2.375 ( -12.748 9.545 2.996) 16.205 2.787 ( 10.282 -17.570 -11.850) 23.555 2.787 ( 10.282 17.570 -11.850) 23.555 3.935 ( -3.973 -17.461 -28.447) 33.614 3.935 ( -3.973 17.461 -28.447) 33.614 4.875 ( 6.453 -12.650 -6.929) 15.802 4.875 ( 6.453 12.650 -6.929) 15.802 5.662 ( -5.805 -9.610 -4.305) 12.025 5.662 ( -5.805 9.610 -4.305) 12.025 6.636 ( 1.320 -12.377 -15.477) 19.862 6.636 ( 1.320 12.377 -15.477) 19.862 7.364 ( -8.159 -8.047 11.285) 16.084 7.364 ( -8.159 8.047 11.285) 16.084 7.968 ( -18.553 -12.618 -5.000) 22.987 7.968 ( -18.553 12.618 -5.000) 22.987 8.836 ( 3.817 -9.282 18.335) 20.902 8.836 ( 3.817 9.282 18.335) 20.902 9.827 ( 7.564 -23.353 14.785) 28.656 9.827 ( 7.564 23.353 14.785) 28.656 11.624 ( -14.292 -8.712 -29.845) 34.219 11.624 ( -14.292 8.712 -29.845) 34.219 12.548 ( 12.242 -10.970 -1.227) 16.483 12.548 ( 12.242 10.970 -1.227) 16.483 13.831 ( 11.475 -7.415 3.660) 14.144 13.831 ( 11.475 7.415 3.660) 14.144 14.989 ( 3.177 -6.403 11.469) 13.515 14.989 ( 3.177 6.403 11.469) 13.515 15.144 ( 2.839 -14.615 -4.022) 15.422 15.144 ( 2.839 14.615 -4.022) 15.422 15.742 ( -3.379 -9.958 -0.332) 10.521 15.742 ( -3.379 9.958 -0.332) 10.521 20.712 ( -2.834 -8.763 -17.585) 19.850 20.712 ( -2.834 8.763 -17.585) 19.850 22.450 ( 9.515 -10.272 14.292) 20.007 22.450 ( 9.515 10.272 14.292) 20.007 ======================= Grid point 158 (83/246) ======================= q-point: (-0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -10.908 -4.231 4.076) 12.389 2.179 ( -10.908 4.231 4.076) 12.389 2.738 ( -3.704 -11.754 -10.792) 16.381 2.738 ( -3.704 11.754 -10.792) 16.381 3.840 ( 14.137 -28.220 -21.516) 38.199 3.840 ( 14.137 28.220 -21.516) 38.199 4.987 ( 8.000 -8.199 -2.438) 11.712 4.987 ( 8.000 8.199 -2.438) 11.712 5.599 ( 2.325 -9.753 -1.571) 10.148 5.599 ( 2.325 9.753 -1.571) 10.148 6.520 ( 0.372 -11.220 -16.307) 19.798 6.520 ( 0.372 11.220 -16.307) 19.798 7.275 ( -10.470 -9.849 10.925) 18.055 7.275 ( -10.470 9.849 10.925) 18.055 7.516 ( -23.421 -10.151 0.110) 25.527 7.516 ( -23.421 10.151 0.110) 25.527 9.038 ( 2.352 -8.325 13.570) 16.093 9.038 ( 2.352 8.325 13.570) 16.093 10.131 ( 11.251 -19.405 16.465) 27.825 10.131 ( 11.251 19.405 16.465) 27.825 11.081 ( -15.633 -10.924 -29.741) 35.331 11.081 ( -15.633 10.924 -29.741) 35.331 12.853 ( 18.032 -13.021 -0.932) 22.261 12.853 ( 18.032 13.022 -0.932) 22.261 14.006 ( 2.237 -1.611 5.177) 5.865 14.006 ( 2.237 1.611 5.177) 5.865 15.015 ( -7.594 -12.576 7.521) 16.504 15.015 ( -7.594 12.576 7.521) 16.504 15.201 ( -0.818 -7.149 8.971) 11.500 15.201 ( -0.818 7.149 8.971) 11.500 15.765 ( 13.979 -26.989 -16.621) 34.642 15.765 ( 13.979 26.989 -16.621) 34.642 20.570 ( 0.448 -6.087 -11.523) 13.039 20.570 ( 0.448 6.087 -11.523) 13.039 22.689 ( 5.192 -9.990 8.857) 14.325 22.689 ( 5.192 9.990 8.857) 14.325 ======================= Grid point 160 (84/246) ======================= q-point: (-0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -8.672 -2.746 5.218) 10.486 2.025 ( -8.672 2.746 5.218) 10.486 2.634 ( 0.519 -11.851 -0.687) 11.882 2.634 ( 0.519 11.851 -0.687) 11.882 4.018 ( 14.225 -24.017 -7.522) 28.909 4.018 ( 14.225 24.017 -7.522) 28.909 5.091 ( 4.123 -4.176 -2.456) 6.362 5.091 ( 4.123 4.176 -2.456) 6.362 5.704 ( 9.753 -14.952 -8.647) 19.835 5.704 ( 9.753 14.952 -8.647) 19.835 6.445 ( 4.903 -9.969 -7.888) 13.625 6.445 ( 4.903 9.969 -7.888) 13.625 7.087 ( -15.246 -3.858 5.265) 16.585 7.087 ( -15.246 3.858 5.265) 16.585 7.223 ( -12.124 -5.796 15.132) 20.238 7.223 ( -12.124 5.796 15.132) 20.238 9.105 ( -3.027 -6.657 3.211) 7.986 9.105 ( -3.027 6.657 3.211) 7.986 10.424 ( -0.553 -10.273 -4.800) 11.352 10.424 ( -0.553 10.273 -4.800) 11.352 10.698 ( 2.515 -24.493 3.099) 24.816 10.698 ( 2.515 24.493 3.099) 24.816 13.141 ( 13.087 -10.622 -5.989) 17.887 13.141 ( 13.087 10.622 -5.989) 17.887 14.012 ( -3.201 -4.221 1.716) 5.568 14.012 ( -3.201 4.221 1.716) 5.568 14.882 ( -9.619 -11.060 2.105) 14.808 14.882 ( -9.619 11.060 2.105) 14.808 15.187 ( -7.608 -12.013 8.786) 16.715 15.187 ( -7.608 12.013 8.786) 16.715 15.995 ( 21.120 -36.241 -15.012) 44.551 15.995 ( 21.120 36.241 -15.012) 44.551 20.553 ( 3.900 -3.901 -3.052) 6.304 20.553 ( 3.900 3.901 -3.052) 6.304 22.772 ( -0.942 -10.362 1.077) 10.460 22.772 ( -0.942 10.362 1.077) 10.460 ======================= Grid point 198 (85/246) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -10.090 0.000 29.478) 31.157 1.651 ( -10.321 0.000 31.688) 33.327 2.813 ( 13.743 0.000 2.069) 13.898 2.917 ( 19.546 0.000 37.957) 42.694 3.067 ( 12.467 0.000 26.733) 29.497 3.884 ( -1.523 0.000 17.678) 17.743 3.917 ( 16.014 0.000 29.011) 33.137 4.224 ( -9.871 0.000 31.391) 32.906 4.300 ( -1.582 0.000 25.385) 25.434 6.050 ( 0.051 0.000 -4.894) 4.894 6.433 ( 2.304 0.000 6.667) 7.054 6.577 ( -26.241 0.000 13.049) 29.306 6.859 ( -20.603 0.000 12.119) 23.903 7.356 ( -2.276 0.000 -6.354) 6.749 7.443 ( 1.533 0.000 -10.467) 10.579 8.275 ( 2.039 0.000 -9.187) 9.410 8.616 ( -2.777 0.000 6.236) 6.826 9.072 ( -2.096 0.000 -26.437) 26.520 9.221 ( -7.108 0.000 -9.260) 11.673 11.053 ( -1.792 0.000 -11.537) 11.676 12.042 ( 5.668 0.000 -2.915) 6.374 12.088 ( 20.065 0.000 5.956) 20.931 12.533 ( 24.183 0.000 3.177) 24.391 12.932 ( 40.645 0.000 -0.677) 40.650 13.507 ( -10.659 0.000 8.112) 13.395 14.028 ( 0.256 0.000 -1.884) 1.901 14.366 ( -0.768 0.000 8.238) 8.274 15.061 ( -4.682 0.000 -10.800) 11.771 15.264 ( -1.351 0.000 -6.449) 6.589 16.136 ( 6.172 0.000 -19.095) 20.067 17.014 ( -8.122 0.000 13.247) 15.539 18.250 ( 1.943 0.000 -8.518) 8.737 20.059 ( 8.391 0.000 6.816) 10.810 20.594 ( -3.000 0.000 25.086) 25.264 20.966 ( -34.466 0.000 -4.286) 34.731 23.209 ( -6.209 0.000 -14.509) 15.782 ======================= Grid point 199 (86/246) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.657 0.000 21.345) 21.355 1.808 ( 2.417 0.000 21.885) 22.018 3.205 ( 24.388 0.000 0.099) 24.388 3.389 ( 21.908 0.000 2.849) 22.092 3.689 ( 7.289 0.000 29.841) 30.718 4.084 ( -10.629 0.000 20.451) 23.048 4.096 ( 8.135 0.000 20.584) 22.133 4.478 ( 8.743 0.000 52.939) 53.656 4.888 ( 27.910 0.000 35.569) 45.212 6.123 ( 10.403 0.000 -6.556) 12.297 6.388 ( -7.545 0.000 12.469) 14.574 6.578 ( 4.886 0.000 6.013) 7.748 6.583 ( -16.236 0.000 5.881) 17.268 7.234 ( -5.485 0.000 -0.520) 5.509 7.394 ( 0.806 0.000 -7.710) 7.752 8.279 ( 5.394 0.000 -11.493) 12.696 8.492 ( -11.088 0.000 -7.229) 13.237 8.850 ( 3.863 0.000 -25.102) 25.398 9.018 ( -11.106 0.000 5.703) 12.485 10.869 ( -6.626 0.000 -14.520) 15.961 12.160 ( 7.513 0.000 -2.276) 7.850 12.320 ( 4.231 0.000 5.807) 7.184 12.740 ( 0.418 0.000 -11.542) 11.549 13.279 ( 4.634 0.000 -14.550) 15.270 13.662 ( 12.474 0.000 27.506) 30.202 14.101 ( 4.853 0.000 2.686) 5.547 14.414 ( -0.283 0.000 4.516) 4.525 14.812 ( -8.846 0.000 -15.283) 17.658 15.126 ( -6.539 0.000 -8.095) 10.406 16.229 ( 17.392 0.000 -16.740) 24.139 16.863 ( -17.814 0.000 12.364) 21.685 18.197 ( -0.650 0.000 -7.248) 7.278 20.324 ( -21.240 0.000 -0.447) 21.245 20.410 ( 20.211 0.000 11.247) 23.130 20.868 ( 1.268 0.000 24.014) 24.047 22.937 ( -8.745 0.000 -17.312) 19.395 ======================= Grid point 200 (87/246) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 7.689 0.000 12.530) 14.701 2.039 ( 7.081 0.000 11.258) 13.299 3.624 ( 17.457 0.000 -9.209) 19.738 3.682 ( -2.291 0.000 -2.238) 3.203 3.910 ( 11.991 0.000 18.227) 21.818 4.071 ( -4.618 0.000 24.200) 24.637 4.503 ( 15.290 0.000 23.482) 28.021 5.292 ( 24.727 0.000 48.642) 54.567 5.672 ( 25.303 0.000 21.922) 33.478 6.222 ( -17.884 0.000 5.043) 18.582 6.277 ( 10.949 0.000 -9.153) 14.271 6.463 ( -0.131 0.000 -0.484) 0.502 6.574 ( -8.293 0.000 1.316) 8.397 7.267 ( 4.057 0.000 14.260) 14.826 7.379 ( 1.596 0.000 0.506) 1.674 8.111 ( -15.416 0.000 -17.546) 23.356 8.194 ( 1.326 0.000 -21.685) 21.725 8.883 ( -15.479 0.000 21.406) 26.417 8.987 ( 23.750 0.000 -7.929) 25.038 10.570 ( -11.165 0.000 -17.654) 20.888 12.192 ( -1.753 0.000 -9.542) 9.701 12.383 ( -2.526 0.000 5.441) 5.999 12.651 ( 2.479 0.000 -4.002) 4.708 13.104 ( -9.363 0.000 -10.396) 13.991 14.161 ( -0.851 0.000 -0.463) 0.968 14.169 ( 9.362 0.000 20.096) 22.169 14.382 ( -0.339 0.000 0.595) 0.685 14.559 ( -3.637 0.000 -11.701) 12.253 14.961 ( -3.086 0.000 -2.997) 4.302 16.496 ( 22.939 0.000 -15.046) 27.433 16.553 ( -24.554 0.000 13.080) 27.821 18.113 ( -2.967 0.000 -5.127) 5.923 20.005 ( -9.666 0.000 -7.508) 12.239 20.977 ( 27.568 0.000 13.551) 30.719 21.100 ( 1.929 0.000 25.387) 25.460 22.604 ( -11.265 0.000 -18.193) 21.398 ======================= Grid point 201 (88/246) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 9.756 0.000 7.410) 12.251 2.246 ( 7.876 0.000 4.500) 9.071 3.471 ( -16.176 0.000 0.712) 16.192 3.635 ( -5.566 0.000 -4.990) 7.476 4.281 ( 12.878 0.000 6.764) 14.546 4.326 ( 9.002 0.000 13.388) 16.133 5.030 ( 17.926 0.000 26.615) 32.089 5.873 ( -6.961 0.000 -23.893) 24.886 5.886 ( -5.631 0.000 14.373) 15.437 5.891 ( -11.189 0.000 -2.422) 11.448 6.342 ( 2.944 0.000 -4.584) 5.448 6.482 ( 3.708 0.000 6.324) 7.331 6.615 ( 6.105 0.000 19.103) 20.055 7.482 ( 6.875 0.000 7.357) 10.069 7.504 ( 5.152 0.000 17.886) 18.613 7.795 ( -2.920 0.000 -5.453) 6.186 8.172 ( 13.340 0.000 -11.151) 17.386 8.742 ( -20.009 0.000 28.315) 34.671 9.476 ( 26.177 0.000 -1.224) 26.206 10.180 ( -11.963 0.000 -19.984) 23.291 12.025 ( -3.207 0.000 -11.814) 12.242 12.295 ( -9.170 0.000 -0.201) 9.172 12.719 ( 2.510 0.000 -2.119) 3.285 12.808 ( -13.739 0.000 -7.271) 15.544 13.937 ( -14.561 0.000 -15.960) 21.604 14.070 ( -1.768 0.000 -9.649) 9.809 14.536 ( 3.799 0.000 1.582) 4.115 14.780 ( 13.606 0.000 24.971) 28.437 14.977 ( 4.035 0.000 1.839) 4.435 16.158 ( -26.935 0.000 13.468) 30.114 16.843 ( 24.787 0.000 -13.762) 28.352 17.993 ( -6.062 0.000 -4.025) 7.276 19.820 ( -2.100 0.000 -10.330) 10.541 21.338 ( 1.345 0.000 26.153) 26.187 21.614 ( 24.514 0.000 11.435) 27.050 22.239 ( -9.909 0.000 -15.312) 18.239 ======================= Grid point 202 (89/246) ======================= q-point: (-0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 7.800 0.000 5.961) 9.817 2.408 ( 6.262 0.000 1.835) 6.525 3.103 ( -20.420 0.000 -4.234) 20.854 3.440 ( -10.966 0.000 -1.723) 11.100 4.439 ( -5.702 0.000 -0.603) 5.734 4.458 ( 0.704 0.000 4.327) 4.384 5.360 ( -18.722 0.000 -0.628) 18.733 5.376 ( -19.729 0.000 -22.335) 29.801 5.542 ( -29.264 0.000 -3.931) 29.527 5.705 ( 12.285 0.000 17.420) 21.316 6.336 ( 1.668 0.000 -5.067) 5.334 6.670 ( 8.490 0.000 5.551) 10.144 6.855 ( 8.128 0.000 4.613) 9.346 7.706 ( 0.193 0.000 17.062) 17.063 7.805 ( 11.602 0.000 12.094) 16.759 7.949 ( 17.798 0.000 11.762) 21.333 8.508 ( 21.344 0.000 4.532) 21.820 8.580 ( -22.070 0.000 33.903) 40.454 9.505 ( -16.551 0.000 -19.144) 25.307 10.185 ( 23.395 0.000 -3.486) 23.653 11.940 ( 2.740 0.000 -8.824) 9.240 12.023 ( -14.617 0.000 -11.644) 18.688 12.478 ( -14.394 0.000 -5.969) 15.583 12.550 ( -11.855 0.000 -20.910) 24.037 13.687 ( -1.528 0.000 -0.253) 1.548 14.010 ( 2.778 0.000 -7.325) 7.834 14.664 ( 5.856 0.000 5.018) 7.712 14.974 ( -4.117 0.000 9.231) 10.108 15.259 ( 12.355 0.000 12.275) 17.416 15.790 ( -19.364 0.000 13.586) 23.654 17.199 ( 22.129 0.000 -12.425) 25.378 17.814 ( -7.870 0.000 -6.202) 10.020 19.767 ( 3.755 0.000 -6.951) 7.901 21.565 ( 0.412 0.000 26.317) 26.320 21.617 ( -16.930 0.000 -14.829) 22.507 22.423 ( 24.533 0.000 10.211) 26.573 ======================= Grid point 203 (90/246) ======================= q-point: (-0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -9.501 0.000 4.237) 10.403 2.499 ( 0.583 0.000 3.230) 3.282 2.687 ( -11.232 0.000 -7.739) 13.640 3.214 ( -11.858 0.000 1.121) 11.911 4.057 ( -24.036 0.000 -17.484) 29.722 4.398 ( -9.821 0.000 4.802) 10.932 4.606 ( -43.460 0.000 -10.754) 44.770 4.879 ( -19.878 0.000 -6.249) 20.837 5.030 ( -25.566 0.000 3.217) 25.767 6.206 ( 13.426 0.000 29.837) 32.719 6.369 ( 4.804 0.000 -3.081) 5.707 6.910 ( 13.138 0.000 1.864) 13.270 7.016 ( 7.311 0.000 -0.653) 7.341 7.747 ( -9.408 0.000 12.432) 15.591 8.046 ( 8.430 0.000 6.406) 10.588 8.455 ( -4.200 0.000 28.210) 28.521 8.516 ( 7.027 0.000 29.536) 30.361 8.842 ( -5.872 0.000 -4.697) 7.519 9.070 ( 5.290 0.000 -11.401) 12.568 10.606 ( 20.128 0.000 -1.225) 20.165 11.530 ( -20.387 0.000 -29.331) 35.720 11.897 ( -2.434 0.000 -20.388) 20.533 12.138 ( -4.378 0.000 -17.141) 17.691 12.206 ( -10.109 0.000 -1.375) 10.202 13.797 ( 4.138 0.000 13.622) 14.237 14.042 ( 4.772 0.000 -4.359) 6.463 14.818 ( 6.232 0.000 3.977) 7.393 14.849 ( -16.933 0.000 8.106) 18.773 15.328 ( -4.700 0.000 -0.818) 4.771 15.882 ( 11.273 0.000 19.497) 22.521 17.342 ( -3.310 0.000 -11.179) 11.658 17.730 ( 11.930 0.000 -10.761) 16.066 19.846 ( 6.601 0.000 1.064) 6.686 21.111 ( -21.246 0.000 -15.441) 26.264 21.771 ( -0.091 0.000 24.531) 24.531 22.944 ( 20.040 0.000 8.702) 21.847 ======================= Grid point 204 (91/246) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -28.975 0.000 -4.553) 29.331 2.452 ( -12.915 0.000 12.166) 17.743 2.631 ( -1.521 0.000 2.068) 2.567 3.015 ( -11.688 0.000 4.029) 12.363 3.419 ( -21.175 0.000 -21.281) 30.021 3.697 ( -45.849 0.000 3.656) 45.994 4.206 ( -15.235 0.000 9.547) 17.979 4.506 ( -18.137 0.000 5.332) 18.905 4.607 ( -22.274 0.000 7.679) 23.560 6.422 ( 0.723 0.000 -0.104) 0.731 6.632 ( 4.831 0.000 31.554) 31.922 7.129 ( 5.103 0.000 -2.642) 5.746 7.158 ( 11.408 0.000 -1.499) 11.506 7.486 ( -23.084 0.000 1.773) 23.152 8.246 ( 7.989 0.000 4.110) 8.984 8.515 ( -6.464 0.000 -12.436) 14.015 8.584 ( -6.625 0.000 51.802) 52.224 8.961 ( 13.859 0.000 13.155) 19.109 9.301 ( 11.617 0.000 -3.635) 12.173 10.762 ( -28.832 0.000 -45.223) 53.632 10.917 ( 13.536 0.000 -1.757) 13.649 11.611 ( 1.582 0.000 -27.875) 27.920 12.082 ( -2.909 0.000 1.617) 3.328 12.100 ( 1.605 0.000 -4.013) 4.322 13.985 ( 0.688 0.000 18.907) 18.920 14.098 ( 3.983 0.000 -3.938) 5.601 14.513 ( -19.727 0.000 1.855) 19.814 14.959 ( 6.301 0.000 1.134) 6.402 15.272 ( 0.440 0.000 -3.166) 3.197 16.294 ( 14.004 0.000 19.055) 23.647 17.038 ( -13.406 0.000 -14.985) 20.107 17.956 ( 16.511 0.000 -10.293) 19.456 20.016 ( 5.895 0.000 10.105) 11.699 20.601 ( -19.621 0.000 -12.299) 23.157 21.947 ( 0.215 0.000 18.417) 18.418 23.297 ( 11.572 0.000 3.274) 12.026 ======================= Grid point 205 (92/246) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -20.800 0.000 15.672) 26.043 2.158 ( -32.039 0.000 23.942) 39.996 2.529 ( -17.593 0.000 14.891) 23.049 2.797 ( -10.097 0.000 -1.441) 10.200 3.023 ( -28.197 0.000 14.380) 31.652 3.121 ( 1.015 0.000 -2.036) 2.275 4.000 ( -14.723 0.000 12.278) 19.171 4.297 ( -11.737 0.000 14.326) 18.520 4.327 ( -16.325 0.000 15.393) 22.438 6.376 ( -6.537 0.000 3.388) 7.363 6.861 ( -25.797 0.000 -6.681) 26.648 6.876 ( -5.025 0.000 29.329) 29.756 7.302 ( 6.440 0.000 -5.105) 8.218 7.312 ( 6.549 0.000 -4.783) 8.110 8.397 ( -0.161 0.000 -7.321) 7.322 8.408 ( 5.593 0.000 2.653) 6.190 8.790 ( -19.604 0.000 4.490) 20.112 9.390 ( 4.360 0.000 -12.248) 13.001 9.406 ( 16.500 0.000 34.618) 38.349 9.874 ( -14.273 0.000 -15.856) 21.334 11.088 ( 7.048 0.000 -4.853) 8.558 11.621 ( 17.154 0.000 -14.066) 22.184 12.065 ( -1.561 0.000 -4.113) 4.399 12.116 ( 4.220 0.000 3.185) 5.287 14.021 ( -16.838 0.000 16.449) 23.539 14.118 ( 1.553 0.000 -4.835) 5.078 14.262 ( -1.376 0.000 -0.823) 1.603 15.075 ( 6.091 0.000 -2.390) 6.543 15.276 ( 2.458 0.000 -3.648) 4.399 16.650 ( -12.494 0.000 -18.264) 22.129 16.685 ( 10.422 0.000 18.274) 21.037 18.149 ( 11.504 0.000 -9.294) 14.790 20.197 ( -13.859 0.000 -6.803) 15.439 20.215 ( 3.058 0.000 17.705) 17.967 22.026 ( -3.476 0.000 3.047) 4.622 23.439 ( 3.516 0.000 -3.340) 4.850 ======================= Grid point 206 (93/246) ======================= q-point: (-0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -7.966 0.000 34.549) 35.456 1.764 ( -28.002 0.000 31.149) 41.885 2.381 ( -12.380 0.000 48.055) 49.624 2.681 ( -0.450 0.000 -0.163) 0.479 2.862 ( -1.905 0.000 9.505) 9.694 3.361 ( 14.739 0.000 20.684) 25.398 3.866 ( -9.831 0.000 14.831) 17.794 4.217 ( -11.836 0.000 23.076) 25.935 4.255 ( -8.203 0.000 20.094) 21.704 6.216 ( -12.522 0.000 0.365) 12.528 6.450 ( -8.688 0.000 -2.036) 8.923 6.897 ( -14.852 0.000 22.085) 26.615 7.296 ( -7.607 0.000 -7.794) 10.891 7.387 ( 4.368 0.000 -6.274) 7.645 7.767 ( -46.469 0.000 -16.103) 49.180 8.335 ( -0.249 0.000 -8.024) 8.027 8.558 ( 2.694 0.000 5.624) 6.236 9.291 ( -0.463 0.000 -20.443) 20.448 9.392 ( -2.697 0.000 -10.335) 10.682 10.988 ( 65.669 0.000 50.485) 82.832 11.124 ( 2.698 0.000 -8.637) 9.049 11.994 ( 21.926 0.000 -2.390) 22.056 12.016 ( 4.688 0.000 -1.389) 4.890 12.305 ( 13.481 0.000 6.852) 15.123 13.745 ( -16.726 0.000 4.155) 17.234 14.080 ( -1.034 0.000 -5.217) 5.319 14.312 ( -0.071 0.000 8.115) 8.115 15.137 ( 3.173 0.000 -6.118) 6.892 15.293 ( 2.278 0.000 -4.707) 5.230 16.304 ( -6.483 0.000 -19.966) 20.992 16.952 ( 2.432 0.000 15.992) 16.176 18.245 ( 6.092 0.000 -8.815) 10.715 19.992 ( -4.170 0.000 0.205) 4.175 20.410 ( 0.402 0.000 23.087) 23.091 21.719 ( -26.243 0.000 -14.248) 29.861 23.393 ( -2.470 0.000 -9.662) 9.973 ======================= Grid point 207 (94/246) ======================= q-point: ( 0.00 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.188 3.687 22.596) 22.896 1.963 ( -6.489 19.862 28.162) 35.067 2.589 ( 10.357 -12.986 -0.023) 16.610 3.106 ( 12.677 4.999 22.121) 25.981 3.235 ( 11.871 16.376 43.762) 48.210 3.789 ( 1.458 -4.896 15.632) 16.446 3.981 ( 9.357 4.270 23.312) 25.480 4.079 ( 6.344 2.707 21.869) 22.931 4.683 ( -9.511 19.963 27.057) 34.944 6.098 ( 2.269 4.111 -4.329) 6.387 6.459 ( -5.385 3.887 12.518) 14.171 6.732 ( -12.307 8.366 3.229) 15.228 6.894 ( -15.593 2.572 4.419) 16.409 7.274 ( -5.521 1.164 -5.001) 7.540 7.501 ( -5.118 1.154 -6.839) 8.620 8.149 ( 3.783 -10.869 -6.570) 13.251 8.503 ( -2.507 -8.894 4.845) 10.434 9.057 ( -1.002 -3.563 -16.491) 16.901 9.264 ( -9.584 3.694 -14.975) 18.159 10.992 ( -1.401 -5.447 -10.617) 12.015 12.019 ( 21.372 -6.207 5.818) 23.003 12.141 ( 11.500 6.008 -0.653) 12.991 12.450 ( 16.013 -2.281 4.110) 16.688 13.004 ( 42.765 -2.204 20.958) 47.675 13.328 ( -9.989 -8.268 -3.802) 13.513 13.978 ( -0.779 -3.467 -1.709) 3.943 14.311 ( -4.011 -0.366 7.623) 8.622 15.012 ( -3.705 -4.659 -10.529) 12.095 15.218 ( -1.890 -3.587 -6.601) 7.746 15.953 ( 4.453 -15.925 -17.150) 23.823 16.910 ( -11.953 -10.713 13.647) 21.069 18.170 ( 3.603 -8.369 -8.774) 12.649 20.116 ( 10.193 5.597 6.579) 13.361 20.651 ( -1.448 4.874 23.158) 23.709 21.246 ( -31.900 21.144 -12.549) 40.276 23.179 ( -6.513 -2.995 -14.253) 15.954 ======================= Grid point 208 (95/246) ======================= q-point: ( 0.11 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 11.850 9.690 12.114) 19.521 2.021 ( -6.352 17.562 21.877) 28.764 2.888 ( 21.095 -18.743 -2.005) 28.290 3.468 ( 0.251 -13.730 27.412) 30.660 3.735 ( 14.468 13.165 -0.440) 19.566 4.052 ( 9.650 8.101 31.337) 33.775 4.213 ( 6.199 7.284 20.057) 22.221 4.701 ( 13.390 11.360 39.860) 43.557 4.887 ( 17.102 2.822 31.622) 36.061 6.215 ( 10.859 8.625 -3.243) 14.242 6.432 ( -5.571 3.983 11.574) 13.449 6.577 ( -13.057 1.257 4.465) 13.856 6.730 ( -1.138 11.068 1.349) 11.208 7.218 ( -3.029 0.114 2.307) 3.809 7.373 ( -0.652 -2.068 -6.193) 6.562 8.204 ( 6.607 -7.025 -8.583) 12.910 8.366 ( -8.460 -9.457 -13.251) 18.347 8.927 ( -0.076 4.377 -14.385) 15.037 8.991 ( -9.586 -2.270 2.660) 10.204 10.820 ( -6.396 -4.507 -13.769) 15.837 12.171 ( 5.720 0.983 -2.005) 6.140 12.368 ( 5.088 3.924 2.625) 6.941 12.696 ( 4.920 -3.733 -6.539) 8.995 13.168 ( -2.272 -9.313 -6.461) 11.560 13.747 ( 16.659 6.032 18.938) 25.933 14.099 ( 12.561 -4.360 5.310) 14.318 14.294 ( -3.454 -3.244 7.546) 8.911 14.775 ( -8.963 -3.590 -14.441) 17.372 15.055 ( -8.034 -5.617 -8.811) 13.181 16.045 ( 17.541 -16.532 -16.194) 29.038 16.702 ( -20.268 -15.297 12.888) 28.476 18.138 ( 0.046 -6.119 -7.391) 9.595 20.476 ( 15.137 7.376 8.858) 19.026 20.528 ( -16.101 15.037 -1.830) 22.107 20.945 ( -0.281 7.343 19.228) 20.585 22.902 ( -9.088 -3.433 -17.203) 19.757 ======================= Grid point 209 (96/246) ======================= q-point: ( 0.22 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 7.083 14.034 9.102) 18.165 2.112 ( 4.407 6.926 10.761) 13.535 3.299 ( 22.730 -20.220 -5.887) 30.987 3.482 ( -12.946 -18.670 17.521) 28.691 4.081 ( 19.305 12.017 -1.204) 22.771 4.241 ( -6.938 11.256 18.989) 23.139 4.559 ( 13.442 4.660 20.512) 24.963 5.382 ( 21.580 7.593 37.871) 44.245 5.572 ( 21.588 -8.534 22.082) 32.039 6.270 ( -15.365 3.299 0.478) 15.723 6.397 ( 9.227 10.699 -4.426) 14.805 6.471 ( -2.527 2.467 -1.384) 3.793 6.681 ( -4.112 8.635 6.810) 11.741 7.266 ( 2.462 0.225 10.055) 10.355 7.398 ( 4.481 1.978 4.095) 6.384 8.010 ( -11.889 -8.485 -22.044) 26.444 8.164 ( 0.773 -3.415 -14.680) 15.092 8.892 ( -13.672 0.834 21.186) 25.229 9.030 ( 21.535 3.600 -5.479) 22.511 10.528 ( -11.096 -3.963 -17.313) 20.942 12.190 ( -1.928 -0.106 -8.040) 8.269 12.404 ( -3.122 1.619 2.864) 4.535 12.668 ( 2.511 1.452 -3.732) 4.726 13.029 ( -7.350 -6.385 -7.482) 12.279 14.110 ( 3.078 -2.222 7.679) 8.566 14.258 ( -3.340 3.098 -3.313) 5.633 14.330 ( 4.532 -3.750 6.908) 9.073 14.557 ( 0.245 1.380 -3.003) 3.314 14.872 ( -2.317 -7.702 -2.344) 8.378 16.314 ( 23.049 -16.704 -15.834) 32.573 16.362 ( -25.399 -17.469 13.077) 33.486 18.060 ( -3.000 -5.306 -5.073) 7.930 20.148 ( -11.018 12.773 -10.486) 19.863 21.033 ( 26.393 5.061 13.055) 29.877 21.150 ( 1.761 4.532 24.452) 24.931 22.563 ( -11.434 -3.911 -18.246) 21.885 ======================= Grid point 210 (97/246) ======================= q-point: ( 0.33 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 1.167 4.046 10.986) 11.765 2.337 ( 11.027 7.331 0.579) 13.254 3.327 ( -13.813 -12.309 8.866) 20.516 3.540 ( 5.892 -10.021 -9.365) 14.928 4.287 ( 0.338 0.704 14.281) 14.302 4.354 ( 8.943 3.968 -1.070) 9.842 5.026 ( 16.142 -0.810 22.537) 27.733 5.739 ( -7.350 -9.861 -3.762) 12.861 5.794 ( -10.407 -4.829 -1.758) 11.607 5.927 ( -10.674 -0.763 -13.052) 16.878 6.473 ( 2.542 7.975 -8.714) 12.083 6.529 ( 8.917 9.173 14.763) 19.535 6.817 ( 4.619 15.201 18.397) 24.307 7.431 ( 7.860 -2.951 11.573) 14.298 7.572 ( 3.786 4.201 11.386) 12.713 7.713 ( -0.737 -6.239 -7.641) 9.892 8.199 ( 13.207 1.670 -3.294) 13.714 8.773 ( -18.842 2.989 27.466) 33.441 9.512 ( 25.669 3.257 -0.087) 25.875 10.138 ( -12.158 -4.124 -20.176) 23.915 12.021 ( -4.502 -0.269 -11.237) 12.108 12.302 ( -8.742 0.394 -0.819) 8.789 12.713 ( 0.561 -0.719 -2.894) 3.034 12.792 ( -11.046 -1.049 -5.803) 12.522 13.899 ( -12.733 -3.616 -16.386) 21.064 14.058 ( -3.727 -2.157 -11.719) 12.485 14.468 ( 3.768 -5.066 4.938) 8.015 14.847 ( 11.949 5.622 22.866) 26.405 14.926 ( 4.711 -4.482 4.059) 7.666 15.962 ( -26.240 -17.351 12.656) 33.908 16.656 ( 25.326 -17.564 -15.565) 34.528 17.937 ( -6.475 -5.395 -3.601) 9.165 19.926 ( -2.804 9.613 -12.250) 15.822 21.383 ( 1.611 4.070 25.874) 26.241 21.639 ( 22.424 2.020 10.547) 24.863 22.202 ( -8.974 -3.529 -14.858) 17.713 ======================= Grid point 211 (98/246) ======================= q-point: (-0.56 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 3.780 -2.703 9.440) 10.522 2.481 ( 2.010 2.319 1.438) 3.390 3.100 ( -12.646 -0.038 -2.392) 12.871 3.409 ( -10.547 -2.549 -4.842) 11.882 4.308 ( -8.539 -8.990 -3.949) 13.013 4.467 ( 3.025 -1.924 1.511) 3.890 5.230 ( -24.615 -11.339 -17.143) 32.068 5.298 ( -11.779 -5.650 -1.943) 13.208 5.518 ( -22.139 -2.234 -5.945) 23.031 5.701 ( 9.666 0.847 12.381) 15.730 6.388 ( -1.050 2.090 -11.469) 11.705 6.777 ( 4.101 11.213 7.054) 13.867 7.030 ( 9.274 13.718 6.284) 17.712 7.696 ( 6.392 -4.457 13.449) 15.544 7.776 ( 1.370 -0.317 10.226) 10.323 7.907 ( 19.880 -0.833 17.637) 26.589 8.545 ( 4.993 3.128 17.069) 18.058 8.662 ( -4.237 6.290 23.863) 25.039 9.498 ( -18.080 -0.839 -19.803) 26.828 10.172 ( 23.465 -1.232 -2.603) 23.641 11.889 ( -1.823 -3.826 -10.245) 11.087 12.050 ( -12.335 1.898 -10.318) 16.193 12.507 ( -10.829 2.457 -6.518) 12.876 12.535 ( -11.648 -1.115 -19.895) 23.081 13.654 ( -2.712 -3.886 -1.173) 4.882 13.965 ( 1.766 -4.448 -6.620) 8.169 14.597 ( 4.393 -5.577 6.823) 9.847 14.964 ( -3.855 -1.043 6.795) 7.882 15.243 ( 6.383 -1.945 13.043) 14.651 15.638 ( -12.788 -11.746 14.240) 22.456 17.018 ( 24.543 -17.573 -14.933) 33.677 17.750 ( -9.304 -5.857 -5.159) 12.144 19.845 ( 3.046 7.030 -8.976) 11.801 21.569 ( -11.893 -1.689 -4.813) 12.940 21.645 ( -2.962 4.170 15.429) 16.254 22.417 ( 23.774 -0.635 10.669) 26.066 ======================= Grid point 212 (99/246) ======================= q-point: (-0.44 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -10.728 -3.425 6.652) 13.079 2.403 ( -2.060 -6.752 7.115) 10.023 2.801 ( -12.647 8.096 -12.294) 19.407 3.159 ( -11.514 -4.129 -0.838) 12.261 3.881 ( -23.011 -11.370 -21.959) 33.779 4.359 ( -13.287 -7.676 -1.516) 15.420 4.730 ( -19.887 -1.256 2.000) 20.027 4.767 ( -30.982 7.215 -13.745) 34.653 5.121 ( -15.873 3.316 3.128) 16.515 6.136 ( 12.078 -6.280 24.464) 27.997 6.344 ( 6.779 -5.580 -8.032) 11.900 6.839 ( -0.671 5.996 2.876) 6.684 7.282 ( 11.768 14.291 3.315) 18.808 7.766 ( -9.812 1.578 11.474) 15.180 7.932 ( 7.592 -10.109 6.291) 14.121 8.455 ( 19.037 -1.280 16.948) 25.520 8.514 ( -17.217 4.614 39.535) 43.367 8.935 ( -18.151 1.697 -16.804) 24.793 9.084 ( 18.011 4.511 4.544) 19.115 10.572 ( 18.246 -3.103 -1.486) 18.568 11.512 ( -19.595 -2.639 -28.628) 34.792 11.858 ( -2.584 -1.302 -14.412) 14.700 12.082 ( -10.186 -2.061 -24.899) 26.981 12.354 ( -1.897 9.287 -0.650) 9.501 13.721 ( 1.140 -8.560 15.391) 17.648 13.989 ( 3.755 -4.231 -3.317) 6.558 14.688 ( -5.795 -9.167 6.062) 12.424 14.852 ( -6.442 -0.896 3.155) 7.229 15.234 ( -3.538 -7.269 1.139) 8.164 15.850 ( 11.506 -2.547 19.721) 22.973 17.267 ( 5.432 -9.387 -11.974) 16.155 17.579 ( 5.203 -12.675 -10.904) 17.511 19.889 ( 5.551 3.868 -1.582) 6.948 21.099 ( -19.383 -1.299 -16.021) 25.180 21.865 ( 2.006 7.913 24.310) 25.644 22.925 ( 19.296 -1.971 9.071) 21.413 ======================= Grid point 213 (100/246) ======================= q-point: (-0.33 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -26.104 1.684 -1.620) 26.209 2.312 ( -27.479 -12.082 7.273) 30.886 2.567 ( -0.830 -4.765 4.630) 6.696 2.955 ( -8.928 -2.543 -3.072) 9.778 3.302 ( -14.127 -5.219 -20.511) 25.447 4.011 ( -31.945 15.848 -0.993) 35.674 4.119 ( -20.065 -6.853 8.630) 22.892 4.427 ( -17.204 7.083 7.207) 19.952 4.869 ( -15.076 12.943 7.530) 21.249 6.415 ( 9.869 -8.196 -2.688) 13.107 6.561 ( 4.753 -6.842 22.153) 23.667 6.804 ( -4.394 -5.200 1.623) 6.999 7.479 ( -2.974 10.349 2.885) 11.147 7.542 ( -10.096 6.436 1.484) 12.065 8.097 ( 5.309 -13.203 3.376) 14.625 8.464 ( -8.610 -3.411 -7.134) 11.690 8.668 ( -4.535 7.205 45.165) 45.960 8.916 ( 12.822 -3.111 10.354) 16.772 9.415 ( 11.694 8.363 1.758) 14.484 10.704 ( -19.841 -3.872 -34.655) 40.120 10.902 ( 2.491 -3.054 -10.809) 11.505 11.590 ( 0.999 -1.749 -29.029) 29.099 11.923 ( -0.191 -4.432 -1.718) 4.757 12.373 ( 2.087 14.664 -0.449) 14.819 13.862 ( -3.977 -12.008 21.568) 25.004 14.030 ( 3.113 -5.429 -3.557) 7.198 14.433 ( -13.965 -4.370 -2.563) 14.856 14.905 ( 4.729 -4.341 0.898) 6.481 15.219 ( 0.900 -4.468 -0.145) 4.560 16.222 ( 9.954 -6.334 17.736) 21.302 17.041 ( -11.454 -0.938 -11.371) 16.167 17.779 ( 18.440 -17.054 -12.474) 28.044 20.007 ( 3.818 -0.381 6.230) 7.317 20.636 ( -15.951 2.677 -11.922) 20.093 22.082 ( 2.536 10.766 17.670) 20.846 23.271 ( 11.241 -2.609 3.760) 12.137 ======================= Grid point 214 (101/246) ======================= q-point: (-0.22 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -17.489 7.647 12.938) 23.060 1.791 ( -34.482 -20.368 23.321) 46.343 2.573 ( -4.151 -1.584 4.257) 6.154 2.794 ( -5.221 -1.114 0.753) 5.391 3.091 ( 0.984 -2.675 -2.167) 3.581 3.386 ( -34.840 27.911 17.100) 47.804 3.947 ( -9.308 -8.307 9.643) 15.769 4.186 ( -15.029 9.227 10.850) 20.706 4.699 ( -11.995 18.893 16.497) 27.802 6.490 ( -3.698 9.001 1.688) 9.877 6.618 ( -13.857 -13.318 6.572) 20.312 6.803 ( 6.308 -18.806 -1.159) 19.870 7.152 ( -16.075 6.779 9.974) 20.096 7.616 ( 3.914 10.506 -3.060) 11.622 8.174 ( 1.600 -16.613 -1.876) 16.795 8.362 ( 0.917 -7.056 -0.125) 7.117 8.865 ( -16.354 6.289 2.186) 17.657 9.254 ( 6.894 -2.872 7.701) 10.728 9.646 ( 14.725 11.831 22.372) 29.280 9.834 ( -18.517 -2.291 -21.236) 28.269 11.016 ( 6.566 -6.706 -4.495) 10.406 11.585 ( 16.583 -3.535 -13.487) 21.665 11.963 ( 4.329 -1.188 0.228) 4.495 12.380 ( -0.188 16.124 -1.987) 16.247 13.818 ( -14.920 -13.261 11.629) 23.102 14.049 ( 2.036 -5.656 -4.378) 7.436 14.276 ( -0.827 0.661 0.601) 1.217 14.995 ( 5.272 -6.420 -2.430) 8.656 15.246 ( 2.342 -3.205 -1.998) 4.444 16.383 ( -5.083 -14.382 -0.614) 15.266 16.841 ( -1.263 3.450 3.623) 5.160 18.000 ( 13.918 -14.680 -10.936) 22.996 20.063 ( -4.317 -4.367 3.512) 7.074 20.389 ( -3.789 8.163 4.198) 9.931 22.192 ( -1.962 12.285 2.611) 12.712 23.412 ( 3.354 -2.680 -2.899) 5.181 ======================= Grid point 215 (102/246) ======================= q-point: (-0.11 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -18.885 -4.022 26.069) 32.441 1.705 ( 1.615 6.267 40.715) 41.227 2.503 ( -3.855 -2.377 4.502) 6.386 2.810 ( 1.365 7.002 12.331) 14.246 2.994 ( -15.294 19.121 24.742) 34.809 3.355 ( 12.469 0.975 23.217) 26.372 3.877 ( -6.585 -4.888 10.566) 13.375 4.046 ( -9.514 7.647 13.798) 18.422 4.663 ( -9.588 21.059 24.109) 33.417 6.246 ( -13.452 -0.179 -4.518) 14.191 6.473 ( -5.510 5.353 6.704) 10.196 6.884 ( -1.166 -9.621 1.517) 9.810 7.037 ( -6.453 -5.190 7.744) 11.338 7.607 ( -1.500 6.650 -6.032) 9.103 7.920 ( -47.849 15.284 -18.765) 53.622 8.164 ( -0.492 -14.008 -5.825) 15.179 8.442 ( 2.057 -9.818 7.041) 12.255 9.198 ( 1.311 -5.441 -17.425) 18.302 9.518 ( -5.395 6.442 -11.860) 14.534 10.885 ( 51.948 -6.541 45.885) 69.619 11.073 ( 7.868 -6.620 -0.740) 10.309 11.976 ( 26.044 -1.505 2.097) 26.172 12.061 ( 6.214 4.250 0.387) 7.538 12.400 ( 5.803 8.273 2.774) 10.479 13.574 ( -13.324 -9.425 -0.505) 16.328 14.030 ( -0.244 -3.862 -4.980) 6.307 14.307 ( -1.227 0.366 6.727) 6.848 15.061 ( 4.343 -6.603 -5.905) 9.866 15.259 ( 1.521 -3.358 -4.745) 6.008 16.138 ( -8.173 -13.668 -15.186) 22.005 16.931 ( -2.239 -4.031 14.445) 15.164 18.131 ( 8.337 -11.522 -9.598) 17.157 19.996 ( -0.821 1.476 1.590) 2.320 20.482 ( 0.426 5.696 18.905) 19.749 21.934 ( -21.593 15.328 -14.690) 30.282 23.365 ( -2.717 -2.760 -9.341) 10.112 ======================= Grid point 216 (103/246) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 11.212 20.532 5.759) 24.092 2.335 ( 5.028 -11.054 -3.661) 12.684 2.402 ( 1.858 22.070 22.850) 31.822 2.982 ( -0.598 -12.562 22.578) 25.844 3.651 ( 14.326 16.718 29.190) 36.562 3.879 ( 8.345 12.944 24.129) 28.625 4.040 ( 14.949 6.951 12.984) 20.985 4.332 ( -1.310 17.124 12.196) 21.064 5.026 ( -7.966 12.290 16.880) 22.348 6.225 ( 7.697 8.349 1.366) 11.437 6.529 ( -4.340 -1.635 5.824) 7.445 6.776 ( 5.929 -1.797 -5.866) 8.532 6.873 ( -10.477 0.043 9.098) 13.876 7.447 ( -7.129 -6.304 -2.117) 9.750 7.643 ( -21.180 28.942 -7.942) 36.733 7.902 ( 4.556 -11.155 -2.515) 12.309 8.307 ( -3.443 -8.884 11.565) 14.985 8.922 ( -0.433 -8.718 -15.424) 17.722 9.303 ( -11.925 -1.112 -13.463) 18.019 10.849 ( -1.152 -8.232 -9.173) 12.379 11.789 ( 30.728 -11.893 18.733) 37.902 12.323 ( 6.129 10.657 -4.797) 13.197 12.523 ( 9.403 5.942 4.014) 11.825 12.668 ( 14.256 -18.734 29.825) 37.996 13.476 ( 11.917 14.144 -20.032) 27.264 13.928 ( -1.040 -1.406 -1.642) 2.399 14.382 ( -0.017 6.168 3.975) 7.338 14.886 ( -2.446 -6.481 -9.117) 11.450 15.134 ( -1.796 -4.249 -5.519) 7.193 15.566 ( -1.226 -19.656 -13.547) 23.903 16.564 ( -18.866 -22.033 14.890) 32.605 17.891 ( 7.936 -18.455 -8.839) 21.948 20.282 ( 13.064 9.913 5.666) 17.351 20.763 ( 1.051 5.200 19.113) 19.835 21.651 ( -25.775 16.642 -16.006) 34.605 23.084 ( -7.208 -6.228 -13.618) 16.619 ======================= Grid point 217 (104/246) ======================= q-point: ( 0.11 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 16.135 18.285 1.753) 24.449 2.459 ( -8.242 22.072 16.519) 28.775 2.520 ( 15.474 -14.625 -3.266) 21.540 3.087 ( -7.288 -18.675 22.649) 30.246 4.032 ( 14.989 13.404 -1.048) 20.135 4.309 ( 8.747 12.513 29.002) 32.775 4.420 ( 5.856 12.601 14.559) 20.125 4.733 ( 26.072 -1.553 28.135) 38.389 5.115 ( 4.740 13.622 22.861) 27.031 6.445 ( 9.856 10.715 1.218) 14.609 6.525 ( 1.448 4.857 7.952) 9.430 6.609 ( -15.128 1.644 5.379) 16.140 6.896 ( 0.359 3.117 -2.762) 4.180 7.289 ( -5.266 -3.401 -1.924) 6.557 7.422 ( -1.580 19.682 2.528) 19.906 8.019 ( 8.198 -9.743 -5.793) 13.989 8.168 ( -9.179 -8.895 -14.317) 19.193 8.884 ( -2.678 -6.207 10.014) 12.082 9.001 ( -4.669 0.245 -11.026) 11.976 10.692 ( -6.306 -7.910 -12.578) 16.141 12.176 ( 6.112 -1.367 -1.402) 6.419 12.448 ( 6.535 3.363 -2.994) 7.936 12.640 ( 5.658 -0.457 1.853) 5.971 12.929 ( -2.331 -12.622 5.423) 13.934 13.837 ( 19.146 1.724 9.525) 21.454 13.960 ( 5.024 -3.277 8.332) 10.266 14.407 ( 2.672 7.741 -3.345) 8.846 14.684 ( -8.627 -3.515 -9.623) 13.393 14.930 ( -10.959 -5.315 -9.115) 15.213 15.628 ( 16.042 -21.358 -13.630) 29.988 16.263 ( -23.619 -25.738 13.227) 37.353 17.928 ( 2.508 -14.350 -6.847) 16.096 20.657 ( 19.197 9.929 9.028) 23.423 20.835 ( -11.378 12.143 4.323) 17.193 21.166 ( -8.785 13.627 1.765) 16.309 22.795 ( -9.936 -6.885 -16.943) 20.813 ======================= Grid point 218 (105/246) ======================= q-point: ( 0.22 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 11.486 10.835 0.801) 15.811 2.377 ( -10.126 20.519 12.774) 26.205 2.867 ( 22.060 -20.824 -5.220) 30.782 3.090 ( -7.637 -16.138 16.621) 24.393 4.292 ( 12.736 7.503 -2.708) 15.028 4.493 ( -6.667 12.789 14.845) 20.698 4.661 ( 9.890 4.453 12.358) 16.443 5.339 ( 16.518 -10.374 13.279) 23.596 5.597 ( 16.133 10.436 26.293) 32.565 6.295 ( -16.266 -1.002 -8.069) 18.185 6.547 ( 3.458 4.980 -0.760) 6.110 6.703 ( 3.084 15.567 5.918) 16.937 6.887 ( 2.293 10.565 11.508) 15.790 7.249 ( 0.901 -2.651 0.322) 2.818 7.526 ( 5.682 12.287 8.870) 16.185 7.805 ( -9.921 -10.167 -22.082) 26.256 8.057 ( 3.266 -6.446 -7.369) 10.321 8.911 ( -9.031 0.902 22.324) 24.099 9.105 ( 19.194 2.975 0.606) 19.432 10.405 ( -11.323 -8.132 -16.886) 21.897 12.189 ( -1.963 -0.018 -5.794) 6.117 12.424 ( -4.775 -0.338 -1.303) 4.961 12.703 ( 2.276 1.677 -3.041) 4.152 12.890 ( -2.771 -5.707 -1.903) 6.623 14.033 ( -2.302 -5.701 -1.295) 6.283 14.214 ( 7.761 -5.201 9.828) 13.560 14.247 ( -10.737 -5.840 -15.059) 19.395 14.672 ( 5.673 -7.545 -0.229) 9.443 14.731 ( 0.523 11.864 8.891) 14.835 15.865 ( 11.532 -25.030 -10.679) 29.556 15.905 ( -15.155 -24.093 6.930) 29.294 17.883 ( -2.550 -12.156 -4.218) 13.117 20.474 ( -12.623 17.420 -14.847) 26.139 21.163 ( 23.109 6.801 11.751) 26.803 21.270 ( 1.617 6.577 21.868) 22.893 22.443 ( -11.816 -7.574 -18.332) 23.088 ======================= Grid point 219 (106/246) ======================= q-point: ( 0.33 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -9.121 10.409 12.318) 18.527 2.453 ( 1.161 0.235 3.042) 3.265 3.100 ( 0.189 -4.446 5.117) 6.781 3.215 ( 18.179 -20.167 -8.757) 28.529 4.386 ( -9.561 7.142 3.847) 12.539 4.420 ( -0.396 2.042 -0.919) 2.274 4.972 ( 11.307 -4.902 10.605) 16.258 5.509 ( -8.676 -9.585 4.291) 13.622 5.763 ( -7.598 1.190 -11.804) 14.089 5.898 ( -10.583 -1.026 -14.334) 17.847 6.552 ( 1.585 1.101 -15.751) 15.868 6.843 ( 5.976 16.516 15.155) 23.198 7.135 ( 7.706 11.814 15.030) 20.613 7.347 ( 5.480 -4.433 4.845) 8.553 7.581 ( 2.530 -1.567 0.664) 3.050 7.722 ( 4.433 8.327 12.741) 15.853 8.211 ( 14.552 -0.795 6.133) 15.812 8.865 ( -15.617 5.907 26.532) 31.349 9.594 ( 24.927 3.987 3.245) 25.451 10.004 ( -13.354 -9.037 -20.858) 26.364 12.022 ( -6.909 0.462 -9.677) 11.899 12.300 ( -7.525 -0.753 -1.060) 7.637 12.688 ( -2.159 -1.374 -4.402) 5.092 12.784 ( -7.013 0.309 -3.465) 7.828 13.783 ( -9.771 -7.945 -20.650) 24.188 13.914 ( -7.778 -12.589 -12.079) 19.102 14.393 ( 2.947 -1.248 7.081) 7.771 14.814 ( 7.400 -5.846 8.781) 12.885 15.002 ( 7.436 9.423 19.856) 23.202 15.543 ( -20.327 -20.536 9.914) 30.548 16.168 ( 23.764 -27.520 -17.755) 40.464 17.765 ( -7.166 -11.520 -2.007) 13.715 20.183 ( -4.830 14.364 -16.009) 22.044 21.489 ( 2.216 5.747 24.385) 25.151 21.674 ( 15.552 0.667 6.460) 16.853 22.102 ( -5.048 -5.785 -12.020) 14.263 ======================= Grid point 220 (107/246) ======================= q-point: (-0.56 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -2.954 2.836 11.579) 12.282 2.393 ( -11.304 -10.838 8.098) 17.630 3.158 ( 5.440 6.886 -7.916) 11.819 3.321 ( -1.567 -7.976 -10.960) 13.645 4.141 ( -14.787 -5.618 -8.330) 17.877 4.340 ( -5.536 -10.397 -2.760) 12.098 4.986 ( -14.070 -11.132 -25.364) 31.068 5.216 ( -11.292 -0.551 3.241) 11.760 5.456 ( -12.426 -3.277 -1.227) 12.909 5.773 ( 2.616 6.062 2.811) 7.176 6.360 ( -2.124 -4.660 -24.047) 24.587 7.061 ( 2.404 13.908 10.292) 17.468 7.321 ( 6.591 12.532 5.017) 15.022 7.499 ( 7.207 -12.133 5.917) 15.302 7.845 ( -0.588 5.490 12.971) 14.097 7.962 ( 15.425 6.166 25.673) 30.578 8.618 ( 9.574 2.974 17.643) 20.292 8.801 ( -5.718 7.795 24.830) 26.646 9.453 ( -19.409 -4.108 -20.380) 28.442 10.136 ( 22.121 -2.275 -0.130) 22.238 11.815 ( -7.120 -2.678 -11.694) 13.950 12.085 ( -11.001 1.275 -8.555) 13.994 12.512 ( -8.145 -0.111 -22.185) 23.633 12.574 ( -5.963 3.245 -5.071) 8.474 13.456 ( -10.025 -16.985 -4.064) 20.138 13.844 ( 4.084 -6.127 -1.801) 7.581 14.498 ( 2.056 -2.454 7.155) 7.839 14.938 ( -1.916 -1.184 4.978) 5.464 15.144 ( -8.676 -7.337 8.066) 13.934 15.467 ( 5.462 -2.822 19.692) 20.629 16.499 ( 26.102 -30.914 -19.387) 44.865 17.575 ( -10.965 -11.277 -2.054) 15.863 20.030 ( 0.858 10.334 -13.227) 16.807 21.486 ( -14.420 -6.189 -17.009) 23.142 21.761 ( 3.272 6.189 24.451) 25.433 22.392 ( 21.458 -1.867 11.308) 24.327 ======================= Grid point 221 (108/246) ======================= q-point: (-0.44 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -17.708 -13.280 8.526) 23.720 2.333 ( 1.470 -1.289 11.546) 11.711 2.939 ( -23.243 3.698 -17.072) 29.075 3.138 ( -2.154 3.508 -12.791) 13.437 3.683 ( -17.737 -8.014 -24.242) 31.088 4.092 ( -15.494 -14.051 -2.588) 21.076 4.650 ( 0.875 -10.586 -23.139) 25.461 4.958 ( -17.805 11.193 4.765) 21.564 5.213 ( -13.839 6.293 7.969) 17.165 5.965 ( 5.186 -8.776 6.735) 12.218 6.209 ( 5.120 -5.481 -9.257) 11.914 7.077 ( -6.146 12.932 5.928) 15.497 7.528 ( 8.798 8.826 5.322) 13.551 7.630 ( 1.602 -15.261 1.596) 15.428 7.857 ( -7.809 4.279 13.847) 16.463 8.468 ( 16.210 1.937 18.900) 24.975 8.680 ( -12.979 11.291 33.022) 37.235 8.865 ( -16.651 -5.341 -17.496) 24.736 9.222 ( 14.863 5.752 12.766) 20.420 10.483 ( 14.746 -5.498 -1.482) 15.807 11.416 ( -18.401 -5.415 -26.706) 32.880 11.884 ( -2.473 3.020 -8.764) 9.594 12.055 ( -11.851 -1.039 -37.707) 39.540 12.531 ( 3.457 7.068 0.737) 7.903 13.422 ( -1.485 -17.754 19.551) 26.451 13.925 ( 3.242 -1.601 -0.128) 3.618 14.540 ( -3.853 -3.838 1.985) 5.789 14.837 ( -5.762 0.070 1.741) 6.020 15.096 ( -2.013 -5.152 5.423) 7.746 15.789 ( 8.476 -3.350 20.091) 22.062 16.841 ( 24.383 -30.783 -18.634) 43.467 17.325 ( -11.258 -11.949 -4.791) 17.102 19.993 ( 3.371 5.959 -7.204) 9.938 21.047 ( -15.048 -4.015 -17.837) 23.680 22.038 ( 5.090 7.763 22.899) 24.709 22.860 ( 17.417 -4.358 9.649) 20.382 ======================= Grid point 222 (109/246) ======================= q-point: (-0.33 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -20.068 -9.105 8.573) 23.646 2.220 ( -28.912 5.476 -16.092) 33.538 2.473 ( 0.016 -4.172 7.342) 8.445 2.917 ( -9.216 -2.565 -9.350) 13.376 3.208 ( -10.447 -4.275 -20.229) 23.165 3.895 ( -5.384 -4.981 2.235) 7.668 4.369 ( -17.441 8.226 -8.555) 21.096 4.704 ( -14.536 17.631 8.418) 24.352 5.092 ( -8.084 9.155 11.351) 16.674 6.043 ( 11.835 -20.882 -13.746) 27.660 6.386 ( 3.087 -8.355 15.773) 18.114 6.948 ( -11.360 11.528 5.263) 17.019 7.537 ( -11.484 -5.760 0.387) 12.854 7.674 ( 0.327 0.753 4.518) 4.592 7.829 ( -2.075 -5.359 6.957) 9.023 8.372 ( -13.711 -5.776 -10.899) 18.444 8.821 ( 7.377 2.811 15.036) 16.983 8.934 ( 3.682 10.161 37.863) 39.376 9.564 ( 10.707 5.042 7.203) 13.854 10.644 ( -6.249 -2.305 -20.838) 21.876 10.780 ( -11.733 -7.140 -19.862) 24.149 11.534 ( -2.818 -4.238 -33.159) 33.547 11.905 ( 3.500 2.616 -0.907) 4.463 12.656 ( 6.838 11.606 0.170) 13.472 13.601 ( 1.177 -9.151 19.657) 21.715 13.942 ( 0.257 -2.187 -2.798) 3.560 14.386 ( -7.535 -0.616 -5.089) 9.113 14.829 ( 1.201 -1.853 2.112) 3.056 15.116 ( -0.127 -4.757 4.147) 6.312 16.060 ( 3.314 -8.898 15.997) 18.602 16.938 ( -7.553 -10.655 -5.136) 14.034 17.278 ( 19.084 -29.507 -15.759) 38.513 20.022 ( 2.267 2.134 -1.022) 3.277 20.676 ( -9.739 0.458 -12.609) 15.939 22.293 ( 4.545 8.390 15.699) 18.372 23.186 ( 10.369 -5.597 4.681) 12.679 ======================= Grid point 223 (110/246) ======================= q-point: (-0.22 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -13.346 3.639 8.132) 16.046 1.742 ( -10.726 12.711 7.375) 18.194 2.492 ( -3.844 -5.440 2.605) 7.152 2.742 ( -4.534 -3.960 2.655) 6.579 3.022 ( 1.255 -3.857 -2.128) 4.580 3.861 ( -0.041 1.872 -0.114) 1.876 3.955 ( -24.588 24.129 10.787) 36.099 4.503 ( -13.791 19.313 9.870) 25.702 5.053 ( -6.467 14.319 13.798) 20.911 6.223 ( 14.762 -23.034 -11.510) 29.681 6.434 ( -5.196 -11.443 1.910) 12.711 6.771 ( -10.732 12.482 7.218) 17.974 7.292 ( -16.589 5.013 10.989) 20.520 7.627 ( -4.514 -14.972 0.013) 15.638 7.874 ( 1.623 -5.060 0.911) 5.391 8.167 ( -4.553 -10.682 2.162) 11.812 8.966 ( -2.429 2.079 -1.684) 3.614 9.308 ( -2.450 7.829 10.720) 13.498 9.798 ( -4.424 3.635 -1.254) 5.862 9.892 ( -2.371 7.792 3.272) 8.778 10.839 ( 6.432 -9.352 -4.407) 12.176 11.472 ( 14.711 -7.522 -11.839) 20.326 12.023 ( 8.664 6.441 -0.289) 10.800 12.718 ( 0.490 15.444 -4.440) 16.077 13.686 ( -2.436 2.239 0.929) 3.437 13.933 ( 2.103 -4.446 -3.316) 5.931 14.274 ( -1.367 -0.828 1.790) 2.399 14.870 ( 2.440 -4.374 -1.027) 5.113 15.149 ( 1.239 -5.565 0.618) 5.735 16.089 ( -8.720 -13.977 1.481) 16.541 16.783 ( -7.210 -9.126 8.221) 14.243 17.548 ( 19.283 -28.451 -14.237) 37.202 20.038 ( 0.159 1.890 -0.114) 1.900 20.520 ( -1.223 4.128 0.613) 4.348 22.408 ( -2.118 7.698 2.981) 8.523 23.324 ( 2.864 -5.936 -1.907) 6.861 ======================= Grid point 224 (111/246) ======================= q-point: (-0.11 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -0.100 17.121 7.220) 18.582 1.976 ( 13.052 17.691 31.470) 38.389 2.387 ( -5.121 -6.794 -2.581) 8.891 2.798 ( 1.896 -5.358 15.095) 16.130 3.218 ( 11.689 -0.857 16.138) 19.945 3.686 ( -15.938 28.051 27.474) 42.376 3.881 ( 3.676 7.705 -2.772) 8.975 4.355 ( -9.991 19.063 11.572) 24.436 5.050 ( -7.516 14.851 17.016) 23.803 6.204 ( -5.179 -1.652 -1.698) 5.695 6.499 ( 12.655 -20.584 -11.798) 26.889 6.680 ( -2.642 10.913 5.032) 12.304 7.076 ( -17.990 3.204 16.006) 24.292 7.552 ( -2.919 -13.261 -1.692) 13.683 7.879 ( -0.384 -8.066 -1.392) 8.194 8.193 ( -1.401 -12.268 10.738) 16.364 8.387 ( -36.564 24.761 -17.907) 47.652 9.084 ( -0.778 -4.998 -18.992) 19.654 9.580 ( -7.054 -0.779 -8.211) 10.853 10.794 ( 39.798 -3.066 47.537) 62.073 10.890 ( 3.514 -8.127 -6.646) 11.071 11.881 ( 27.311 -8.537 11.891) 30.986 12.201 ( 9.506 9.244 -1.338) 13.326 12.629 ( -3.564 13.242 -5.765) 14.876 13.566 ( -1.191 8.708 -16.687) 18.860 13.950 ( 1.632 -3.310 -3.551) 5.121 14.327 ( 0.906 1.556 7.451) 7.666 14.910 ( 3.872 -6.699 -4.734) 9.071 15.160 ( 1.109 -5.740 -3.563) 6.846 15.825 ( -12.492 -15.498 -9.560) 22.082 16.729 ( -10.976 -15.597 15.500) 24.576 17.764 ( 13.684 -23.612 -11.096) 29.460 20.080 ( 5.119 6.506 1.403) 8.396 20.596 ( 1.979 4.605 13.086) 14.013 22.200 ( -16.900 9.737 -10.787) 22.289 23.275 ( -3.216 -5.995 -8.455) 10.852 ======================= Grid point 225 (112/246) ======================= q-point: ( 0.00 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 5.597 4.586 -0.512) 7.254 2.194 ( 6.556 9.211 -2.281) 11.534 2.638 ( -2.576 -8.798 21.483) 23.358 2.924 ( 7.149 16.737 9.862) 20.700 3.784 ( 23.810 2.996 24.519) 34.308 4.274 ( 9.381 15.914 11.140) 21.572 4.320 ( 1.786 20.906 10.755) 23.578 4.701 ( -1.885 16.698 7.005) 18.206 5.201 ( -1.818 6.039 6.257) 8.884 6.264 ( 16.877 -14.768 -12.922) 25.883 6.454 ( 10.667 6.673 6.944) 14.371 6.817 ( -8.283 3.308 4.467) 9.975 6.920 ( -9.569 3.743 13.059) 16.616 7.259 ( -1.932 -10.510 4.146) 11.463 7.704 ( 2.197 -7.117 0.884) 7.501 8.092 ( -2.227 -2.159 17.300) 17.575 8.371 ( -19.155 27.468 -5.019) 33.862 8.744 ( -4.201 -5.510 -20.217) 21.372 9.206 ( -13.420 -7.996 -9.886) 18.487 10.640 ( -1.368 -12.469 -8.748) 15.293 11.622 ( 26.929 -3.878 22.540) 35.331 12.234 ( 15.646 -17.638 28.482) 36.975 12.572 ( 7.678 11.326 -8.274) 15.990 12.732 ( -2.500 9.361 -7.990) 12.559 13.751 ( 6.559 10.708 -15.875) 20.241 13.913 ( 0.089 -0.128 -1.044) 1.055 14.491 ( 2.544 1.278 -8.229) 8.708 14.845 ( -1.480 5.043 -2.834) 5.971 15.061 ( 0.557 -2.396 -2.595) 3.576 15.204 ( -5.645 -12.609 -9.373) 16.695 16.050 ( -22.601 -26.088 14.340) 37.377 17.417 ( 13.753 -27.010 -9.493) 31.762 20.498 ( 14.302 10.344 5.421) 18.464 20.848 ( 4.372 2.778 15.324) 16.176 21.946 ( -19.507 12.630 -14.922) 27.618 22.922 ( -8.030 -9.309 -13.066) 17.940 ======================= Grid point 226 (113/246) ======================= q-point: ( 0.11 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 10.999 -9.893 -2.864) 15.068 2.344 ( 5.189 8.254 1.825) 9.919 2.746 ( -1.616 -2.038 17.313) 17.508 3.016 ( -3.031 21.164 6.950) 22.481 4.240 ( 11.440 4.498 1.927) 12.443 4.441 ( 4.100 2.488 11.418) 12.384 4.684 ( 8.979 11.734 21.755) 26.298 4.835 ( 10.956 10.825 9.167) 17.923 5.384 ( 13.158 12.840 17.307) 25.249 6.459 ( 7.856 -6.236 -0.820) 10.064 6.575 ( -9.468 -2.214 -1.945) 9.916 6.741 ( 5.815 7.424 8.645) 12.793 6.976 ( 4.335 5.377 7.513) 10.205 7.195 ( -5.537 -3.422 4.237) 7.767 7.845 ( 9.236 -6.021 -5.704) 12.413 7.977 ( -6.263 25.842 -6.378) 27.345 8.051 ( -14.503 2.997 -11.051) 18.479 8.729 ( 2.911 -7.776 15.515) 17.598 8.941 ( -3.880 -6.020 -2.159) 7.481 10.475 ( -7.159 -13.911 -12.376) 19.948 12.121 ( 11.567 -2.768 3.635) 12.437 12.470 ( -1.206 -4.593 2.030) 5.165 12.643 ( 4.552 1.258 1.951) 5.110 12.769 ( 4.967 -0.304 1.808) 5.295 13.855 ( 7.983 0.997 3.240) 8.672 13.946 ( 2.730 -0.119 4.965) 5.667 14.382 ( -3.332 -7.730 -16.995) 18.965 14.606 ( -13.098 -8.964 -10.747) 19.168 15.020 ( 0.302 13.159 -0.280) 13.166 15.269 ( 11.907 -8.716 -7.284) 16.457 15.715 ( -21.789 -24.728 10.964) 34.734 17.544 ( 5.953 -22.688 -6.231) 24.270 20.862 ( 17.436 9.321 8.443) 21.498 21.022 ( -0.629 6.470 12.537) 14.122 21.473 ( -14.791 15.268 -11.545) 24.191 22.618 ( -10.943 -10.145 -16.710) 22.404 ======================= Grid point 227 (114/246) ======================= q-point: ( 0.22 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -5.793 -6.688 7.111) 11.352 2.467 ( 17.013 -17.128 -5.706) 24.807 2.765 ( -11.951 16.600 12.396) 23.917 3.058 ( 8.174 16.397 -0.544) 18.330 4.363 ( 2.715 -1.388 -2.146) 3.729 4.613 ( 6.126 -5.275 4.834) 9.420 4.815 ( -4.411 12.822 11.147) 17.553 5.206 ( 13.583 -0.755 10.294) 17.060 5.820 ( 11.678 10.688 12.760) 20.333 6.267 ( -15.254 -0.739 -8.317) 17.390 6.589 ( 5.081 -1.660 -2.246) 5.798 6.927 ( 7.397 -1.690 -2.968) 8.148 7.064 ( -2.546 9.450 8.723) 13.111 7.241 ( 6.749 3.906 7.800) 11.029 7.654 ( -9.606 -2.083 -12.720) 16.076 7.887 ( -0.119 8.898 2.332) 9.200 7.939 ( 5.664 8.227 -3.945) 10.739 8.933 ( -2.074 1.498 26.232) 26.356 9.132 ( 18.958 -0.671 8.531) 20.800 10.173 ( -11.977 -14.822 -16.632) 25.294 12.189 ( -1.311 0.110 -3.671) 3.900 12.383 ( -6.116 -3.196 -1.412) 7.044 12.729 ( 1.499 0.871 -3.777) 4.156 12.822 ( 1.399 -1.266 1.007) 2.138 13.879 ( -6.367 -9.035 -11.280) 15.792 13.993 ( -14.446 -13.464 -14.379) 24.427 14.188 ( 8.150 -1.514 8.354) 11.769 14.462 ( 4.428 -9.847 -0.085) 10.798 15.074 ( 3.422 13.555 5.279) 14.944 15.367 ( -9.499 -20.754 4.187) 23.205 15.499 ( 5.357 -8.973 -3.786) 11.115 17.549 ( -1.573 -20.189 -2.627) 20.420 20.834 ( -12.050 16.919 -15.763) 26.075 21.293 ( 18.400 5.341 10.242) 21.725 21.409 ( 1.513 6.773 17.262) 18.605 22.253 ( -12.040 -10.658 -18.111) 24.219 ======================= Grid point 228 (115/246) ======================= q-point: ( 0.33 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -10.561 -12.516 7.873) 18.170 2.564 ( -15.661 16.479 10.170) 24.905 2.765 ( 19.209 -22.065 -8.795) 30.548 3.247 ( 13.060 15.692 -8.215) 22.006 4.269 ( -11.356 -13.493 -2.714) 17.843 4.633 ( -11.035 9.301 -1.044) 14.470 4.829 ( 4.457 -5.818 1.516) 7.484 5.428 ( 1.835 1.940 5.892) 6.469 5.780 ( -20.209 -0.741 -22.942) 30.582 5.943 ( 0.555 6.280 -6.797) 9.271 6.503 ( -2.144 -6.006 -26.571) 27.326 7.042 ( 8.197 -9.937 1.315) 12.949 7.175 ( 2.633 10.455 15.013) 18.483 7.394 ( 4.319 3.538 1.734) 5.846 7.681 ( 7.832 10.102 21.510) 25.021 7.961 ( 1.531 13.680 9.401) 16.669 8.179 ( 16.258 -1.059 10.759) 19.525 9.024 ( -9.745 9.582 26.622) 29.925 9.634 ( 22.939 -2.828 4.339) 23.517 9.770 ( -14.173 -11.640 -17.472) 25.331 12.044 ( -8.155 1.705 -6.891) 10.812 12.272 ( -5.766 -1.811 0.654) 6.079 12.672 ( -1.727 0.145 -4.821) 5.123 12.795 ( -6.429 0.472 -3.439) 7.307 13.509 ( -17.252 -18.457 -27.021) 36.992 13.627 ( -0.167 -13.271 -15.249) 20.216 14.397 ( 4.112 0.829 8.209) 9.219 14.690 ( 10.524 -6.250 11.455) 16.764 15.159 ( -10.054 -8.281 4.710) 13.850 15.244 ( 3.943 2.569 12.658) 13.504 15.660 ( 13.781 -14.662 -9.867) 22.411 17.450 ( -7.734 -19.038 0.761) 20.563 20.498 ( -7.429 15.780 -19.014) 25.801 21.590 ( 1.923 0.507 8.444) 8.675 21.651 ( 3.696 -0.255 8.122) 8.927 21.987 ( 4.087 -4.713 -2.427) 6.694 ======================= Grid point 229 (116/246) ======================= q-point: (-0.56 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -11.213 -12.444 5.299) 17.569 2.387 ( -10.159 10.066 10.099) 17.508 3.021 ( 13.767 -20.167 -11.272) 26.894 3.367 ( 7.642 12.118 -16.937) 22.183 3.930 ( -19.882 -17.255 -0.108) 26.326 4.261 ( -17.241 5.929 -17.324) 25.150 4.768 ( -9.797 -10.058 -26.122) 29.657 5.221 ( -5.818 -2.849 -14.439) 15.826 5.448 ( -9.017 5.094 9.139) 13.812 5.932 ( 0.357 8.458 -1.024) 8.527 6.229 ( -0.597 -6.626 -27.648) 28.438 7.210 ( 5.663 -15.314 2.083) 16.460 7.311 ( -0.261 9.736 11.155) 14.809 7.509 ( 4.790 5.652 5.415) 9.177 7.991 ( 0.786 8.421 11.824) 14.537 8.137 ( 8.142 9.503 25.508) 28.413 8.633 ( 16.723 -1.321 15.171) 22.618 9.030 ( -9.814 14.173 24.339) 29.826 9.308 ( -15.184 -9.764 -16.942) 24.757 10.071 ( 16.724 -4.342 2.702) 17.489 11.794 ( -11.135 0.768 -13.680) 17.656 12.102 ( -9.930 0.671 -5.520) 11.381 12.545 ( -3.692 2.905 -23.043) 23.517 12.625 ( -1.901 1.201 -13.475) 13.661 13.012 ( -13.290 -22.178 0.184) 25.856 13.707 ( 11.181 -8.282 -1.185) 13.965 14.508 ( 1.756 2.709 5.772) 6.614 14.912 ( 3.248 -2.011 5.156) 6.417 15.013 ( -6.842 -4.124 5.511) 9.705 15.472 ( 5.703 0.010 17.322) 18.237 15.864 ( 18.354 -24.392 -15.080) 34.048 17.271 ( -12.257 -18.257 2.523) 22.134 20.260 ( -2.238 11.807 -17.348) 21.104 21.315 ( -12.420 -10.152 -20.531) 26.055 21.886 ( 5.281 5.841 22.601) 23.934 22.336 ( 17.911 -3.645 11.610) 21.654 ======================= Grid point 230 (117/246) ======================= q-point: (-0.44 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -8.635 -6.631 0.555) 10.901 2.348 ( -3.157 2.984 10.625) 11.479 2.956 ( -13.015 -2.746 -16.242) 20.994 3.178 ( -11.101 -4.186 -17.747) 21.348 3.541 ( -14.810 -4.440 -20.710) 25.845 3.926 ( -0.354 0.437 -11.309) 11.323 4.331 ( 0.005 -16.771 -31.753) 35.910 5.158 ( -0.702 -0.874 -1.217) 1.655 5.320 ( -11.817 9.101 9.556) 17.714 5.860 ( -5.100 -0.416 -6.152) 8.002 6.146 ( 5.643 0.116 -5.084) 7.596 7.234 ( -3.249 -12.774 -0.878) 13.209 7.339 ( -4.410 2.816 6.075) 8.018 7.651 ( 4.139 2.944 6.626) 8.349 7.974 ( -10.112 6.593 11.164) 16.442 8.488 ( 5.549 -1.293 10.028) 11.533 8.770 ( -11.403 -1.487 -6.030) 12.984 8.964 ( -1.892 12.442 25.480) 28.418 9.307 ( 9.676 4.404 17.939) 20.852 10.341 ( 11.413 -8.283 -0.498) 14.111 11.337 ( -17.389 -1.584 -27.394) 32.486 11.950 ( -4.263 -0.051 -8.509) 9.517 12.006 ( -12.468 -1.437 -41.546) 43.400 12.616 ( 6.597 0.568 0.246) 6.626 13.155 ( 10.260 -4.984 20.441) 23.408 13.896 ( 5.926 -2.114 2.581) 6.800 14.527 ( -2.157 1.894 -2.338) 3.702 14.877 ( -4.112 4.190 3.765) 6.974 15.038 ( -1.566 -0.448 8.836) 8.985 15.706 ( 3.638 -5.669 17.296) 18.562 16.130 ( 23.827 -33.406 -19.657) 45.498 17.027 ( -14.962 -17.451 2.185) 23.090 20.133 ( 1.328 7.550 -12.855) 14.967 20.926 ( -10.259 -7.647 -20.009) 23.750 22.176 ( 6.715 5.788 19.746) 21.645 22.744 ( 14.955 -6.680 9.930) 19.154 ======================= Grid point 231 (118/246) ======================= q-point: (-0.33 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 0.129 7.353 -3.926) 8.337 2.375 ( -8.898 2.676 -0.716) 9.319 2.424 ( -14.528 4.712 -10.509) 18.540 2.818 ( -12.334 -6.661 -7.845) 16.064 3.118 ( -9.525 -4.472 -20.877) 23.379 3.937 ( 6.600 8.914 -7.194) 13.220 4.282 ( 9.871 -16.197 -18.213) 26.297 5.099 ( -9.902 19.020 6.937) 22.537 5.206 ( -3.640 -1.731 5.778) 7.045 5.739 ( 1.234 -5.004 -9.665) 10.954 6.250 ( 1.791 -4.058 6.909) 8.210 7.119 ( -5.631 -7.817 -3.000) 10.091 7.244 ( -8.218 -3.947 2.860) 9.555 7.699 ( -10.550 1.651 9.648) 14.391 7.840 ( -7.221 1.403 7.630) 10.599 8.231 ( -16.228 -7.341 -8.580) 19.770 8.873 ( 5.798 3.915 11.820) 13.736 9.211 ( 4.622 11.979 27.831) 30.650 9.631 ( 9.406 3.400 15.560) 18.497 10.525 ( 9.391 -8.839 -2.605) 13.157 10.732 ( -22.513 2.564 -32.541) 39.653 11.398 ( -7.605 -8.818 -32.701) 34.713 12.021 ( 7.696 8.308 -1.302) 11.399 12.811 ( 11.842 2.498 -0.844) 12.132 13.558 ( 15.533 4.911 14.094) 21.541 13.947 ( -1.086 2.233 -0.227) 2.494 14.395 ( -5.814 1.518 -8.624) 10.511 14.862 ( -2.397 5.551 5.845) 8.410 15.058 ( -2.697 0.044 7.124) 7.618 15.857 ( -1.843 -10.976 13.582) 17.559 16.446 ( 22.598 -35.575 -16.597) 45.295 16.763 ( -11.388 -19.293 0.258) 22.405 20.095 ( 2.892 4.855 -7.410) 9.319 20.642 ( -4.332 -3.781 -14.230) 15.348 22.427 ( 4.985 5.136 12.794) 14.660 23.041 ( 9.232 -8.255 5.290) 13.466 ======================= Grid point 232 (119/246) ======================= q-point: (-0.22 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 12.699 25.821 -9.886) 30.426 2.030 ( -4.406 14.619 3.621) 15.692 2.372 ( -5.941 -5.580 3.705) 8.953 2.635 ( -4.983 -5.743 3.651) 8.435 2.933 ( 1.472 -4.931 -1.982) 5.515 4.030 ( 9.588 13.835 -9.247) 19.206 4.284 ( -2.794 4.855 0.610) 5.634 4.928 ( -13.281 19.994 9.217) 25.712 5.232 ( 0.451 1.642 3.385) 3.789 5.809 ( 15.084 -13.233 -12.023) 23.392 6.255 ( -4.571 -5.461 1.896) 7.370 7.014 ( -6.925 6.956 4.957) 10.996 7.138 ( -1.791 -18.003 0.295) 18.095 7.428 ( -22.653 2.348 13.265) 26.355 7.813 ( -3.131 -4.296 3.648) 6.448 7.957 ( -10.117 -8.995 5.095) 14.465 8.991 ( 0.350 1.678 0.301) 1.740 9.453 ( -0.517 2.782 8.160) 8.636 9.926 ( -15.673 8.994 -22.261) 28.672 10.070 ( 5.269 10.349 23.381) 26.106 10.658 ( 7.347 -7.918 -4.180) 11.583 11.275 ( 11.469 -11.432 -9.021) 18.537 12.209 ( 12.555 11.135 -2.364) 16.947 12.966 ( 5.670 7.123 -7.134) 11.567 13.894 ( 7.849 7.966 -1.250) 11.253 13.903 ( 4.074 10.837 -8.906) 14.607 14.246 ( -2.681 -1.842 1.919) 3.776 14.853 ( -2.023 3.374 2.366) 4.590 15.057 ( -1.478 -2.032 3.004) 3.916 15.802 ( -11.424 -13.882 3.075) 18.239 16.483 ( -12.641 -19.204 12.220) 26.037 16.861 ( 24.056 -36.649 -17.346) 47.146 20.122 ( 4.755 5.579 -3.579) 8.158 20.555 ( 2.177 -0.706 -2.603) 3.466 22.527 ( -1.995 4.675 2.511) 5.669 23.170 ( 2.372 -8.742 -1.106) 9.125 ======================= Grid point 233 (120/246) ======================= q-point: (-0.11 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 6.532 21.539 -3.137) 22.725 2.226 ( -4.361 -3.456 -1.015) 5.656 2.405 ( 12.669 13.996 18.068) 26.131 2.675 ( 3.629 -0.672 11.120) 11.717 3.175 ( 16.654 -1.706 18.551) 24.988 4.133 ( 5.616 16.651 -3.444) 17.907 4.241 ( -3.256 21.144 9.639) 23.465 4.766 ( -10.525 18.832 8.937) 23.352 5.235 ( -3.003 3.517 2.655) 5.332 6.053 ( 19.569 -20.646 -17.321) 33.305 6.229 ( 3.949 3.622 3.575) 6.442 6.911 ( -7.942 10.303 6.703) 14.634 7.101 ( -16.253 -6.542 11.526) 20.972 7.206 ( -0.394 -10.755 6.283) 12.462 7.758 ( -5.717 -5.940 2.171) 8.525 7.933 ( -1.776 -12.045 18.681) 22.298 8.844 ( -14.481 10.655 -10.250) 20.695 9.101 ( -17.739 14.590 -23.829) 33.096 9.498 ( -9.387 -6.579 -7.144) 13.507 10.641 ( 9.280 -9.552 3.645) 13.808 10.869 ( 22.214 3.249 27.475) 35.481 11.642 ( 22.345 -13.663 15.167) 30.266 12.427 ( 12.444 12.219 -5.142) 18.182 12.897 ( -3.677 11.181 -11.398) 16.385 13.832 ( 2.783 12.353 -21.911) 25.307 13.920 ( 1.217 1.846 -3.969) 4.543 14.391 ( 8.011 5.961 5.892) 11.594 14.838 ( 0.702 1.154 -1.558) 2.062 15.053 ( 0.440 -3.641 -1.212) 3.863 15.515 ( -15.608 -14.160 -5.352) 21.743 16.317 ( -17.664 -23.104 16.375) 33.376 17.176 ( 20.572 -32.504 -13.230) 40.679 20.243 ( 9.490 8.608 0.814) 12.839 20.656 ( 4.908 1.013 8.670) 10.014 22.363 ( -12.742 6.995 -8.146) 16.662 23.120 ( -3.646 -8.864 -7.659) 12.269 ======================= Grid point 234 (121/246) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -2.116 -0.555 2.868) 3.607 2.287 ( -5.138 -8.907 10.522) 14.712 2.687 ( 11.009 15.773 8.279) 20.941 3.143 ( 11.062 0.369 8.996) 14.263 3.981 ( 19.637 17.204 15.614) 30.420 4.486 ( 4.983 3.425 3.255) 6.867 4.727 ( 4.211 15.754 2.363) 16.478 4.941 ( 0.226 5.517 -1.048) 5.620 5.358 ( 5.126 10.202 3.389) 11.909 5.906 ( 21.153 -17.180 -10.996) 29.386 6.570 ( 8.122 4.082 4.236) 10.029 6.832 ( -8.049 -4.604 6.553) 11.354 6.981 ( -4.933 2.426 7.594) 9.375 7.103 ( -2.862 -2.946 9.419) 10.275 7.629 ( 4.057 1.048 9.088) 10.007 7.968 ( 7.587 -8.672 30.642) 32.737 8.587 ( -14.651 2.325 -18.873) 24.005 8.988 ( -15.404 -11.578 -8.895) 21.224 9.140 ( -14.874 32.498 -12.535) 37.875 10.306 ( -4.342 -20.363 -10.407) 23.277 11.612 ( 22.411 2.418 23.423) 32.507 11.914 ( 16.953 -12.758 26.523) 33.966 12.789 ( 5.919 9.090 -12.694) 16.698 12.894 ( -3.203 5.332 -13.566) 14.923 13.890 ( -0.355 3.214 -7.754) 8.401 13.918 ( -0.004 0.352 -1.095) 1.151 14.479 ( -6.935 0.734 -9.676) 11.927 14.791 ( -16.556 -11.400 -6.531) 21.135 15.020 ( -2.531 2.150 0.086) 3.322 15.352 ( 6.221 13.002 -3.675) 14.875 15.592 ( -9.259 -7.881 7.817) 14.455 16.792 ( 19.087 -32.826 -10.345) 39.356 20.691 ( 13.638 7.944 6.714) 17.151 20.871 ( 8.085 -0.644 12.079) 14.549 22.199 ( -14.469 12.177 -13.970) 23.511 22.704 ( -9.140 -11.534 -12.975) 19.619 ======================= Grid point 235 (122/246) ======================= q-point: ( 0.11 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 4.011 -3.170 -0.410) 5.129 2.254 ( -6.706 -9.656 8.847) 14.713 2.974 ( 11.430 17.410 7.317) 22.074 3.368 ( 4.457 8.016 7.764) 12.017 4.257 ( 3.657 2.389 3.239) 5.438 4.494 ( -2.121 -0.026 -5.294) 5.703 4.912 ( 6.225 9.882 13.720) 18.018 5.024 ( 6.092 5.746 5.545) 10.043 5.666 ( 18.184 14.389 12.786) 26.480 6.253 ( 16.820 -12.664 -0.454) 21.059 6.541 ( -10.566 -0.090 0.740) 10.592 6.738 ( -2.498 -6.182 2.628) 7.167 7.072 ( 7.744 3.474 6.601) 10.752 7.175 ( 0.221 -0.576 10.270) 10.289 7.827 ( 7.168 5.315 -6.121) 10.821 8.096 ( -17.767 4.912 -17.958) 25.735 8.391 ( 9.612 -0.224 18.891) 21.197 8.730 ( -2.699 -5.488 4.987) 7.891 8.864 ( -6.881 21.802 2.354) 22.983 10.088 ( -8.899 -23.745 -12.468) 28.257 12.100 ( 12.021 1.101 9.001) 15.058 12.305 ( 4.576 -8.276 13.242) 16.272 12.726 ( 1.040 4.731 -7.507) 8.934 12.801 ( 1.314 1.420 -7.485) 7.731 13.870 ( 0.335 0.435 -0.560) 0.784 13.936 ( 0.822 -0.989 2.755) 3.041 14.231 ( -9.166 -4.913 -13.816) 17.292 14.387 ( -14.920 -10.151 -10.508) 20.882 15.003 ( 1.109 -4.244 -1.885) 4.775 15.208 ( -13.149 -14.388 5.498) 20.252 15.692 ( 9.022 27.859 -2.269) 29.372 16.999 ( 9.128 -29.596 -5.910) 31.531 21.026 ( 14.271 6.263 9.368) 18.184 21.112 ( 5.519 2.231 13.240) 14.516 21.788 ( -14.595 15.116 -15.512) 26.117 22.379 ( -11.968 -12.808 -16.627) 24.161 ======================= Grid point 236 (123/246) ======================= q-point: ( 0.22 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -7.870 -8.652 5.334) 12.855 2.182 ( 8.772 -9.849 -5.124) 14.150 3.151 ( -3.328 19.950 7.701) 21.642 3.465 ( 5.376 16.853 1.077) 17.722 4.224 ( -6.924 -9.776 -5.741) 13.284 4.429 ( 2.782 -10.560 -7.198) 13.079 5.076 ( -0.921 11.243 12.438) 16.792 5.255 ( 9.315 2.876 11.469) 15.052 6.037 ( 8.838 10.311 4.193) 14.212 6.286 ( -11.890 2.504 -7.804) 14.441 6.488 ( 6.710 -6.909 -6.951) 11.877 6.727 ( 1.333 -12.731 -10.165) 16.346 7.257 ( 1.798 6.085 10.381) 12.166 7.287 ( 6.386 0.833 5.423) 8.419 7.723 ( -5.591 5.546 -1.997) 8.124 7.813 ( 2.853 -2.320 -0.081) 3.678 8.459 ( -2.368 26.957 -6.498) 27.829 8.998 ( 6.087 5.523 27.781) 28.972 9.074 ( 17.197 -4.654 16.506) 24.286 9.782 ( -11.336 -22.748 -13.599) 28.826 12.200 ( -1.499 1.159 -1.434) 2.376 12.310 ( -5.585 -3.626 0.488) 6.676 12.747 ( 1.480 1.089 -5.209) 5.524 12.804 ( 2.811 -0.989 -0.477) 3.018 13.684 ( -12.161 -8.251 -20.268) 25.035 13.728 ( -16.957 -10.677 -21.500) 29.390 14.172 ( 8.697 0.165 10.256) 13.448 14.294 ( 5.543 -6.233 6.071) 10.317 15.024 ( 1.667 -7.877 -1.525) 8.195 15.057 ( -5.261 -9.568 3.574) 11.489 15.805 ( 2.702 28.122 2.562) 28.368 17.052 ( -0.451 -27.510 -0.922) 27.529 21.153 ( -7.425 13.153 -10.237) 18.246 21.369 ( 12.506 1.646 8.516) 15.219 21.554 ( -0.629 7.655 7.567) 10.782 22.010 ( -11.354 -12.587 -16.405) 23.589 ======================= Grid point 237 (124/246) ======================= q-point: ( 0.33 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -6.328 -5.760 1.048) 8.621 2.340 ( 13.835 -17.802 -9.453) 24.447 2.963 ( -18.197 21.292 6.164) 28.679 3.626 ( 11.648 17.868 -6.653) 22.343 3.911 ( -19.339 -18.117 -6.332) 27.245 4.467 ( 6.552 -16.480 -11.518) 21.147 5.022 ( -12.635 15.275 2.184) 19.943 5.474 ( -0.070 -1.858 11.999) 12.143 5.801 ( -16.284 5.612 -36.063) 39.965 6.110 ( 1.136 7.021 -4.800) 8.580 6.335 ( -1.951 -7.167 -28.261) 29.221 6.760 ( 6.166 -14.991 0.710) 16.225 7.377 ( 1.375 7.230 11.967) 14.049 7.449 ( 5.496 2.125 6.406) 8.704 7.878 ( 8.112 7.585 21.767) 24.436 8.063 ( 11.312 -2.624 18.176) 21.568 8.394 ( 1.721 20.435 -3.053) 20.733 9.253 ( -1.378 12.036 25.029) 27.807 9.333 ( -4.523 -21.018 -15.903) 26.742 9.650 ( 10.146 -5.021 10.801) 15.647 12.092 ( -7.268 2.927 -2.652) 8.272 12.226 ( -4.640 -2.644 2.948) 6.100 12.705 ( 0.266 3.043 -3.193) 4.419 12.795 ( -6.671 -0.567 -3.941) 7.769 13.166 ( -17.779 -12.044 -33.650) 39.918 13.328 ( 3.543 -14.980 -28.419) 32.320 14.416 ( 6.590 1.171 10.180) 12.184 14.557 ( 11.448 -6.169 10.913) 16.977 14.989 ( -2.811 -4.497 3.504) 6.357 15.111 ( 6.318 -10.102 -1.162) 11.971 15.847 ( -2.748 23.501 8.837) 25.257 16.981 ( -7.879 -25.947 4.042) 27.417 20.827 ( -9.439 15.936 -20.563) 27.675 21.431 ( -7.471 -11.819 -16.437) 21.579 21.738 ( 5.186 5.048 18.134) 19.525 21.908 ( 9.408 -3.341 7.794) 12.666 ======================= Grid point 238 (125/246) ======================= q-point: (-0.56 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -0.923 0.408 -4.538) 4.649 2.557 ( 17.368 -22.958 -12.220) 31.274 2.662 ( -16.181 16.044 5.196) 23.371 3.426 ( -21.885 -15.780 -10.802) 29.062 3.764 ( 6.143 11.410 -7.015) 14.735 4.345 ( -9.363 -5.250 -24.614) 26.853 4.650 ( -15.198 3.831 -23.274) 28.059 5.079 ( -12.375 -9.652 -27.589) 31.741 5.633 ( -2.073 10.594 5.871) 12.288 6.001 ( -3.166 -4.975 -10.948) 12.435 6.228 ( 4.092 9.788 -9.870) 14.490 6.864 ( 3.459 -17.506 -1.431) 17.902 7.477 ( -0.975 6.217 10.423) 12.175 7.578 ( 2.335 1.313 7.242) 7.722 8.173 ( 1.132 8.469 12.821) 15.407 8.311 ( 2.813 5.934 18.415) 19.551 8.606 ( 13.788 0.795 12.025) 18.312 9.037 ( -8.887 -13.752 -12.442) 20.565 9.381 ( -3.055 16.695 21.202) 27.158 9.939 ( 9.634 -8.702 6.288) 14.425 11.851 ( -12.953 4.826 -15.669) 20.894 12.112 ( -8.084 -1.018 -1.631) 8.309 12.522 ( -17.219 -10.310 -39.807) 44.580 12.556 ( -4.853 -3.706 -8.181) 10.208 12.823 ( 13.082 7.896 3.594) 15.697 13.462 ( 18.861 -15.558 -5.779) 25.123 14.574 ( 3.536 3.191 3.389) 5.846 14.813 ( 9.400 -7.803 1.929) 12.368 14.991 ( -1.113 1.849 6.964) 7.291 15.246 ( 8.179 -13.141 -1.636) 15.565 15.851 ( -5.972 16.134 13.561) 21.906 16.825 ( -13.103 -24.350 7.681) 28.699 20.518 ( -5.310 13.084 -20.581) 24.959 21.075 ( -10.109 -12.821 -22.373) 27.697 22.006 ( 7.184 5.807 18.680) 20.840 22.243 ( 13.845 -5.179 12.487) 19.350 ======================= Grid point 239 (126/246) ======================= q-point: (-0.44 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 8.248 10.575 -9.708) 16.556 2.460 ( -9.363 7.801 5.854) 13.520 2.756 ( 9.382 -16.841 -12.142) 22.783 2.954 ( -17.218 -14.256 -7.843) 23.690 3.556 ( -16.585 5.515 -28.120) 33.109 3.938 ( -3.313 -9.109 -33.447) 34.823 4.190 ( -0.187 11.045 -24.872) 27.215 4.916 ( 6.966 -17.209 -15.521) 24.199 5.589 ( -8.117 12.907 8.432) 17.423 5.871 ( -5.628 -0.529 -1.214) 5.782 6.236 ( 2.491 8.397 -4.959) 10.065 6.843 ( -1.923 -19.448 -6.841) 20.706 7.485 ( -6.199 6.746 8.897) 12.771 7.664 ( 0.290 -1.364 7.635) 7.761 8.118 ( -11.907 7.181 7.486) 15.792 8.404 ( -9.160 -6.004 -0.103) 10.953 8.809 ( 2.492 4.645 10.800) 12.018 9.048 ( 8.262 -3.408 13.160) 15.908 9.535 ( 2.655 16.308 20.641) 26.440 10.140 ( 8.525 -11.222 2.908) 14.389 11.363 ( -15.969 4.242 -29.320) 33.655 11.758 ( -16.949 -12.645 -35.847) 41.620 12.134 ( 1.386 9.417 -6.335) 11.434 12.547 ( 6.883 -7.038 -1.702) 9.991 13.235 ( 21.872 11.223 10.682) 26.804 13.798 ( 14.093 -8.360 4.116) 16.895 14.589 ( 0.033 4.077 -7.767) 8.772 14.962 ( 6.665 -2.814 -1.072) 7.313 15.056 ( -0.390 3.675 11.237) 11.829 15.374 ( 9.198 -18.650 -8.106) 22.319 15.842 ( -6.339 5.032 14.090) 16.249 16.605 ( -16.698 -22.692 8.944) 29.559 20.308 ( -0.646 9.369 -17.499) 19.860 20.738 ( -6.165 -10.249 -21.217) 24.356 22.294 ( 7.983 6.024 15.796) 18.695 22.592 ( 12.300 -7.822 10.536) 17.986 ======================= Grid point 240 (127/246) ======================= q-point: (-0.33 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 17.553 21.104 -8.865) 28.846 2.368 ( -6.450 0.729 6.151) 8.942 2.542 ( -12.949 -1.261 -7.712) 15.124 2.722 ( -6.642 -0.113 -11.204) 13.025 3.040 ( -9.966 -0.829 -26.482) 28.307 3.796 ( 17.925 -27.804 -26.724) 42.527 4.224 ( 14.045 17.558 -15.239) 27.162 4.981 ( 10.463 -15.730 -12.104) 22.436 5.478 ( -9.723 15.664 7.980) 20.090 5.759 ( -6.479 1.842 2.630) 7.232 6.239 ( -0.067 3.217 -0.738) 3.301 6.717 ( -2.911 -19.709 -9.477) 22.062 7.397 ( -9.621 8.934 8.458) 15.618 7.687 ( -5.354 -3.479 7.272) 9.677 7.883 ( -18.014 3.300 9.215) 20.501 8.087 ( -18.126 -6.301 -1.707) 19.265 8.987 ( 3.251 6.909 12.127) 14.331 9.287 ( 5.435 -4.013 10.766) 12.710 9.816 ( 9.332 13.743 21.238) 26.963 10.331 ( 9.562 -9.861 1.561) 13.824 10.826 ( -16.466 6.073 -29.720) 34.515 11.189 ( -10.720 -10.706 -29.372) 33.049 12.239 ( 11.082 12.473 -2.152) 16.824 12.747 ( 14.258 -8.135 -2.539) 16.611 13.762 ( 22.582 12.807 10.553) 28.024 13.999 ( 3.391 1.737 4.478) 5.880 14.470 ( -1.573 7.280 -16.796) 18.374 15.037 ( -2.218 8.659 6.802) 11.232 15.129 ( -1.463 5.588 9.058) 10.743 15.498 ( 11.760 -27.615 -10.617) 31.837 15.846 ( 0.409 -12.509 3.918) 13.114 16.339 ( -17.961 -21.879 8.850) 29.658 20.217 ( 3.460 6.789 -11.951) 14.174 20.527 ( -0.151 -6.945 -15.227) 16.737 22.534 ( 5.667 5.772 9.639) 12.583 22.857 ( 8.035 -9.179 5.842) 13.526 ======================= Grid point 241 (128/246) ======================= q-point: (-0.22 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -8.213 0.429 3.184) 8.819 2.331 ( -3.819 5.561 -1.740) 6.967 2.381 ( 1.533 7.416 4.835) 8.985 2.718 ( 20.238 26.546 -13.023) 35.831 2.806 ( 1.687 -7.518 -1.058) 7.777 4.058 ( 20.893 -23.511 -10.868) 33.277 4.410 ( 17.255 19.595 -15.314) 30.269 5.070 ( 4.082 -7.920 -6.000) 10.742 5.372 ( -5.150 14.957 3.214) 16.142 5.687 ( -0.300 -2.242 -3.131) 3.863 6.219 ( -0.847 1.792 1.068) 2.252 6.652 ( 2.150 -19.994 -2.197) 20.229 7.264 ( -10.949 10.185 7.848) 16.888 7.492 ( -20.322 2.768 11.173) 23.356 7.692 ( -9.565 -6.093 7.816) 13.773 7.795 ( -13.564 -7.084 8.370) 17.441 9.064 ( -2.242 5.653 2.833) 6.708 9.394 ( -1.284 -7.075 4.326) 8.392 10.134 ( -4.734 10.078 -13.061) 17.163 10.337 ( -1.270 14.160 7.433) 16.043 10.509 ( 8.357 -6.095 0.854) 10.378 11.005 ( 7.200 -14.423 -4.300) 16.684 12.473 ( 15.011 14.028 -4.924) 21.128 12.978 ( 12.342 -5.839 -8.341) 16.000 13.975 ( -2.272 5.463 0.454) 5.934 14.192 ( -1.836 -3.483 3.971) 5.592 14.377 ( 19.562 27.665 -17.919) 38.329 15.002 ( -4.533 9.295 3.851) 11.035 15.114 ( -4.979 8.090 4.081) 10.338 15.515 ( -10.063 -13.489 4.817) 17.505 15.994 ( 4.946 -29.127 0.373) 29.546 16.124 ( 2.459 -30.164 -4.262) 30.562 20.251 ( 7.381 6.614 -5.378) 11.276 20.499 ( 5.416 -4.393 -4.790) 8.460 22.632 ( -0.592 5.999 1.158) 6.139 22.975 ( 1.874 -9.721 -0.638) 9.920 ======================= Grid point 242 (129/246) ======================= q-point: (-0.11 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -7.888 -0.998 3.454) 8.669 2.299 ( -3.437 -3.278 6.544) 8.085 2.458 ( 4.589 10.760 8.989) 14.753 2.868 ( 10.498 0.983 2.908) 10.938 3.337 ( 31.270 23.867 12.405) 41.247 4.327 ( 9.118 -5.476 3.812) 11.299 4.606 ( 14.214 17.314 -13.066) 25.933 5.015 ( -5.257 2.894 -0.758) 6.048 5.333 ( -0.344 9.220 -1.816) 9.403 5.702 ( 10.152 -12.090 -14.264) 21.277 6.322 ( 9.575 4.879 5.308) 11.986 6.756 ( 5.974 -17.162 5.906) 19.108 7.104 ( -11.561 8.110 6.445) 15.523 7.221 ( -16.836 3.368 13.096) 21.594 7.619 ( -6.725 -6.630 8.282) 12.561 7.708 ( -4.318 -9.528 20.697) 23.190 8.931 ( -9.216 4.442 -8.639) 13.390 9.292 ( -9.652 -9.579 -3.540) 14.052 9.611 ( -19.451 24.523 -21.316) 37.869 10.421 ( 0.622 -12.634 -9.083) 15.572 10.964 ( 21.245 5.802 29.798) 37.054 11.353 ( 19.490 -13.382 18.800) 30.205 12.692 ( 12.876 12.961 -9.368) 20.531 13.033 ( 2.465 0.927 -13.923) 14.170 13.930 ( -0.810 3.010 -2.112) 3.766 14.027 ( -4.708 1.862 -11.192) 12.284 14.606 ( 3.105 12.519 -5.095) 13.868 15.011 ( 0.632 3.112 -2.906) 4.305 15.050 ( 2.141 14.617 -0.361) 14.778 15.282 ( -10.864 -4.115 -0.490) 11.627 15.822 ( -18.899 -23.488 14.601) 33.497 16.450 ( 26.383 -36.879 -14.821) 47.705 20.415 ( 11.257 7.712 1.453) 13.723 20.639 ( 8.168 -2.595 5.477) 10.171 22.517 ( -8.774 8.156 -7.524) 14.146 22.918 ( -4.317 -10.344 -7.367) 13.413 ======================= Grid point 243 (130/246) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -4.648 -6.400 8.364) 11.511 2.110 ( -4.648 6.400 8.364) 11.511 2.997 ( 11.786 -12.383 9.807) 19.709 2.997 ( 11.786 12.383 9.807) 19.709 4.358 ( 9.852 -15.025 7.336) 19.407 4.358 ( 9.852 15.025 7.336) 19.407 4.944 ( 5.417 -5.157 -7.182) 10.369 4.944 ( 5.417 5.157 -7.182) 10.369 5.598 ( 12.883 -12.700 -1.267) 18.135 5.598 ( 12.883 12.700 -1.267) 18.135 6.678 ( 2.157 -7.182 4.767) 8.886 6.678 ( 2.157 7.182 4.767) 8.886 7.049 ( -6.499 -3.351 6.729) 9.937 7.049 ( -6.499 3.351 6.729) 9.937 7.757 ( 9.218 -10.012 21.916) 25.797 7.757 ( 9.218 10.012 21.916) 25.797 8.738 ( -16.799 -11.111 -10.832) 22.869 8.738 ( -16.799 11.111 -10.832) 22.869 9.793 ( -9.966 -28.915 -12.218) 32.934 9.793 ( -9.966 28.915 -12.218) 32.934 11.711 ( 19.405 -7.105 25.012) 32.445 11.711 ( 19.405 7.105 25.012) 32.445 12.921 ( 1.182 -2.942 -15.318) 15.642 12.921 ( 1.182 2.942 -15.318) 15.642 13.919 ( -1.199 -0.318 -2.865) 3.122 13.919 ( -1.199 0.318 -2.865) 3.122 14.573 ( -14.199 -8.273 -6.588) 17.705 14.573 ( -14.199 8.273 -6.588) 17.705 15.156 ( -12.426 -11.252 4.243) 17.292 15.156 ( -12.426 11.252 4.243) 17.292 16.092 ( 21.455 -33.721 -9.417) 41.062 16.092 ( 21.455 33.721 -9.417) 41.062 20.819 ( 11.409 -4.388 9.148) 15.268 20.819 ( 11.409 4.388 9.148) 15.268 22.454 ( -11.087 -12.389 -13.341) 21.316 22.454 ( -11.087 12.389 -13.341) 21.316 ======================= Grid point 245 (131/246) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -2.560 -4.620 4.420) 6.887 2.097 ( -2.560 4.620 4.420) 6.887 3.300 ( 10.927 -12.070 9.700) 18.951 3.300 ( 10.927 12.070 9.700) 18.951 4.397 ( -4.242 -8.315 -5.337) 10.752 4.397 ( -4.242 8.315 -5.337) 10.752 5.054 ( 5.801 -2.968 7.047) 9.598 5.054 ( 5.801 2.968 7.047) 9.598 5.967 ( 19.303 -14.462 5.913) 24.834 5.967 ( 19.303 14.462 5.913) 24.834 6.597 ( -7.806 -5.599 2.084) 9.830 6.597 ( -7.806 5.599 2.084) 9.830 7.133 ( 5.578 -2.784 6.946) 9.334 7.133 ( 5.578 2.784 6.946) 9.334 8.021 ( -1.848 -10.735 -11.800) 16.059 8.021 ( -1.848 10.735 -11.800) 16.059 8.495 ( 2.859 -11.672 20.238) 23.537 8.495 ( 2.859 11.672 20.238) 23.537 9.506 ( -10.340 -31.553 -10.380) 34.789 9.506 ( -10.340 31.553 -10.380) 34.789 12.165 ( 9.457 -5.048 12.873) 16.752 12.165 ( 9.457 5.048 12.873) 16.752 12.798 ( -0.792 -1.904 -10.341) 10.545 12.798 ( -0.792 1.904 -10.341) 10.545 13.895 ( -2.056 -2.253 -0.929) 3.188 13.895 ( -2.056 2.253 -0.929) 3.188 14.229 ( -12.308 -4.511 -9.288) 16.066 14.229 ( -12.308 4.511 -9.288) 16.066 15.002 ( -5.948 -4.674 1.658) 7.744 15.002 ( -5.948 4.674 1.658) 7.744 16.345 ( 10.901 -32.781 -5.123) 34.923 16.345 ( 10.901 32.781 -5.123) 34.923 21.113 ( 10.227 -2.104 11.415) 15.470 21.113 ( 10.227 2.104 11.415) 15.470 22.095 ( -13.179 -14.473 -16.488) 25.593 22.095 ( -13.179 14.473 -16.488) 25.593 ======================= Grid point 247 (132/246) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -0.779 -0.235 -1.163) 1.420 2.076 ( -0.779 0.235 -1.163) 1.420 3.522 ( 2.119 -12.575 9.393) 15.838 3.522 ( 2.119 12.575 9.393) 15.838 4.199 ( -5.639 -9.366 -14.292) 17.994 4.199 ( -5.639 9.366 -14.292) 17.994 5.247 ( 4.325 -4.518 13.393) 14.782 5.247 ( 4.325 4.518 13.393) 14.782 6.240 ( 4.409 -8.715 -2.317) 10.038 6.240 ( 4.409 8.715 -2.317) 10.038 6.484 ( -2.356 -8.933 -11.431) 14.697 6.484 ( -2.356 8.933 -11.431) 14.697 7.304 ( 5.682 -0.729 8.212) 10.013 7.304 ( 5.682 0.729 8.212) 10.013 7.794 ( -2.649 -1.235 -0.662) 2.997 7.794 ( -2.649 1.235 -0.662) 2.997 8.897 ( 10.919 -12.803 10.688) 19.934 8.897 ( 10.919 12.803 10.688) 19.934 9.285 ( -4.630 -22.210 3.142) 22.904 9.285 ( -4.630 22.210 3.142) 22.904 12.241 ( -3.564 -2.809 0.263) 4.545 12.241 ( -3.564 2.809 0.263) 4.545 12.776 ( 2.502 -1.591 -3.973) 4.957 12.776 ( 2.502 1.591 -3.973) 4.957 13.601 ( -16.017 -1.005 -23.414) 28.386 13.601 ( -16.017 1.005 -23.414) 28.386 14.201 ( 6.786 -2.821 9.485) 11.999 14.201 ( 6.786 2.821 9.485) 11.999 14.949 ( -0.982 -0.888 1.147) 1.751 14.949 ( -0.982 0.888 1.147) 1.751 16.435 ( 0.792 -31.211 0.799) 31.232 16.435 ( 0.792 31.211 0.799) 31.232 21.342 ( 3.654 -4.794 2.748) 6.625 21.342 ( 3.654 4.794 2.748) 6.625 21.752 ( -7.563 -11.619 -8.740) 16.389 21.752 ( -7.563 11.619 -8.740) 16.389 ======================= Grid point 249 (133/246) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 3.930 -7.479 -6.675) 10.767 2.069 ( 3.930 7.479 -6.675) 10.767 3.422 ( -18.242 -22.351 4.603) 29.215 3.422 ( -18.242 22.351 4.603) 29.215 4.085 ( 6.885 -19.696 -15.932) 26.252 4.085 ( 6.885 19.697 -15.932) 26.252 5.314 ( -10.205 -12.040 3.802) 16.234 5.314 ( -10.205 12.040 3.802) 16.234 6.004 ( -6.123 -11.709 -29.672) 32.481 6.004 ( -6.123 11.709 -29.672) 32.481 6.455 ( 4.487 -13.632 -2.224) 14.523 6.455 ( 4.487 13.632 -2.224) 14.523 7.464 ( 3.227 -1.355 9.225) 9.866 7.464 ( 3.227 1.355 9.225) 9.866 7.992 ( 10.089 -4.037 20.762) 23.434 7.992 ( 10.089 4.037 20.762) 23.434 8.862 ( -4.054 -23.625 -11.986) 26.799 8.862 ( -4.054 23.625 -11.986) 26.799 9.491 ( 6.554 -10.133 19.405) 22.851 9.491 ( 6.554 10.133 19.405) 22.851 12.161 ( -5.221 -3.526 1.978) 6.604 12.161 ( -5.221 3.526 1.978) 6.604 12.770 ( -3.104 -2.152 -1.064) 3.924 12.770 ( -3.104 2.152 -1.064) 3.924 13.088 ( -6.126 -5.449 -38.471) 39.335 13.088 ( -6.126 5.449 -38.471) 39.335 14.458 ( 9.079 -3.188 10.598) 14.315 14.458 ( 9.079 3.188 10.598) 14.315 14.976 ( 2.147 -2.963 2.712) 4.554 14.976 ( 2.147 2.963 2.712) 4.554 16.406 ( -6.786 -28.673 7.094) 30.307 16.406 ( -6.786 28.673 7.094) 30.307 21.149 ( -9.946 -14.910 -20.288) 27.071 21.149 ( -9.946 14.910 -20.288) 27.071 21.833 ( 7.911 -4.098 13.560) 16.225 21.833 ( 7.911 4.098 13.560) 16.225 ======================= Grid point 251 (134/246) ======================= q-point: (-0.56 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 11.348 -15.767 -11.471) 22.560 2.139 ( 11.348 15.767 -11.471) 22.560 3.033 ( -21.173 -19.308 -0.276) 28.656 3.033 ( -21.173 19.308 -0.276) 28.656 4.083 ( 2.571 -16.097 -17.818) 24.149 4.083 ( 2.571 16.097 -17.818) 24.149 4.852 ( -17.821 -11.712 -30.106) 36.893 4.852 ( -17.821 11.712 -30.106) 36.893 5.843 ( -0.830 -9.243 -3.136) 9.796 5.843 ( -0.830 9.243 -3.136) 9.796 6.510 ( 2.937 -16.056 -4.642) 16.969 6.510 ( 2.937 16.056 -4.642) 16.969 7.567 ( -0.125 -2.444 9.004) 9.331 7.567 ( -0.125 2.444 9.004) 9.331 8.315 ( 2.976 -4.668 16.147) 17.070 8.315 ( 2.976 4.668 16.147) 17.070 8.753 ( 1.517 -12.336 -1.174) 12.485 8.753 ( 1.517 12.336 -1.174) 12.485 9.705 ( 3.129 -13.845 13.014) 19.257 9.705 ( 3.129 13.845 13.014) 19.257 11.995 ( -11.853 -8.505 -11.875) 18.811 11.995 ( -11.853 8.505 -11.875) 18.811 12.462 ( -9.737 -3.735 -17.126) 20.052 12.462 ( -9.737 3.735 -17.126) 20.052 13.105 ( 20.451 -17.157 -7.969) 27.859 13.105 ( 20.451 17.157 -7.969) 27.859 14.657 ( 6.686 -5.713 0.331) 8.800 14.657 ( 6.686 5.713 0.331) 8.800 15.070 ( 3.281 -5.513 6.743) 9.307 15.070 ( 3.281 5.513 6.743) 9.307 16.300 ( -12.131 -25.170 12.120) 30.457 16.300 ( -12.131 25.171 12.120) 30.457 20.797 ( -7.871 -13.716 -22.414) 27.431 20.797 ( -7.871 13.716 -22.414) 27.431 22.127 ( 10.054 -5.852 14.889) 18.895 22.127 ( 10.054 5.852 14.889) 18.895 ======================= Grid point 253 (135/246) ======================= q-point: (-0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 17.627 -21.363 -12.921) 30.562 2.324 ( 17.627 21.363 -12.921) 30.562 2.675 ( -15.060 -12.012 -0.170) 19.265 2.675 ( -15.060 12.013 -0.170) 19.265 3.723 ( -15.624 -9.800 -34.253) 38.903 3.723 ( -15.624 9.800 -34.253) 38.903 4.532 ( 7.373 -18.814 -22.862) 30.513 4.532 ( 7.373 18.814 -22.862) 30.513 5.799 ( -5.428 -6.875 5.304) 10.240 5.799 ( -5.428 6.875 5.304) 10.240 6.480 ( -0.636 -15.025 -7.712) 16.900 6.480 ( -0.636 15.025 -7.712) 16.900 7.602 ( -3.588 -4.478 8.779) 10.488 7.602 ( -3.588 4.478 8.779) 10.488 8.266 ( -12.668 -7.010 2.676) 14.724 8.266 ( -12.668 7.010 2.676) 14.724 8.932 ( 7.654 -6.552 13.167) 16.580 8.932 ( 7.654 6.552 13.167) 16.580 9.870 ( 5.285 -14.935 10.793) 19.169 9.870 ( 5.285 14.935 10.793) 19.169 11.513 ( -15.940 -10.069 -31.907) 37.061 11.513 ( -15.940 10.069 -31.907) 37.061 12.352 ( 4.659 -10.885 -3.522) 12.353 12.352 ( 4.659 10.885 -3.522) 12.353 13.538 ( 23.457 -15.743 4.641) 28.629 13.538 ( 23.457 15.743 4.641) 28.629 14.732 ( 6.960 -10.904 -12.002) 17.646 14.732 ( 6.960 10.904 -12.002) 17.646 15.178 ( 0.894 -5.909 8.567) 10.445 15.178 ( 0.894 5.909 8.567) 10.445 16.135 ( -16.049 -20.898 14.241) 29.952 16.135 ( -16.049 20.898 14.241) 29.952 20.517 ( -3.026 -10.705 -20.463) 23.292 20.517 ( -3.026 10.705 -20.463) 23.292 22.432 ( 9.846 -7.331 12.436) 17.475 22.432 ( 9.846 7.331 12.436) 17.475 ======================= Grid point 255 (136/246) ======================= q-point: (-0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -8.403 -3.572 1.284) 9.221 2.422 ( -8.403 3.572 1.284) 9.221 2.585 ( 10.049 -14.609 -6.310) 18.821 2.585 ( 10.049 14.609 -6.310) 18.821 3.255 ( 2.984 -21.262 -34.411) 40.560 3.255 ( 2.984 21.262 -34.411) 40.560 4.614 ( 15.595 -19.086 -16.784) 29.819 4.614 ( 15.595 19.086 -16.784) 29.819 5.716 ( -7.945 -6.758 6.419) 12.247 5.716 ( -7.945 6.758 6.419) 12.247 6.388 ( -1.904 -11.495 -7.219) 13.706 6.388 ( -1.904 11.495 -7.219) 13.706 7.569 ( -7.100 -7.361 8.385) 13.225 7.569 ( -7.100 7.361 8.385) 13.225 7.971 ( -19.680 -4.983 4.972) 20.900 7.971 ( -19.680 4.983 4.972) 20.900 9.146 ( 3.826 -8.069 10.662) 13.908 9.146 ( 3.826 8.069 10.662) 13.908 10.102 ( 10.100 -12.652 10.565) 19.332 10.102 ( 10.100 12.652 10.565) 19.332 10.981 ( -13.176 -8.955 -28.267) 32.447 10.981 ( -13.176 8.955 -28.267) 32.447 12.514 ( 13.492 -13.274 -2.776) 19.130 12.514 ( 13.492 13.274 -2.776) 19.130 13.971 ( 12.725 -5.518 9.249) 16.671 13.971 ( 12.725 5.518 9.249) 16.671 14.793 ( 15.774 -24.336 -21.751) 36.252 14.793 ( 15.774 24.336 -21.751) 36.252 15.228 ( -2.297 -4.791 7.698) 9.353 15.228 ( -2.297 4.791 7.698) 9.353 15.914 ( -18.170 -16.190 12.861) 27.526 15.914 ( -18.170 16.190 12.861) 27.526 20.370 ( 2.534 -7.805 -14.579) 16.729 20.370 ( 2.534 7.805 -14.579) 16.729 22.676 ( 6.798 -7.973 7.169) 12.695 22.676 ( 6.798 7.973 7.169) 12.695 ======================= Grid point 257 (137/246) ======================= q-point: (-0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -8.970 -3.259 5.093) 10.818 2.279 ( -8.970 3.259 5.093) 10.818 2.614 ( 0.629 -11.078 -0.531) 11.109 2.614 ( 0.629 11.078 -0.531) 11.109 3.418 ( 29.666 -35.106 -16.613) 48.872 3.418 ( 29.666 35.106 -16.613) 48.872 4.807 ( 15.931 -16.979 -14.862) 27.622 4.807 ( 15.931 16.980 -14.862) 27.622 5.609 ( -6.532 -6.950 2.342) 9.821 5.609 ( -6.532 6.950 2.342) 9.821 6.334 ( 1.334 -10.091 -1.245) 10.255 6.334 ( 1.334 10.091 -1.245) 10.255 7.453 ( -12.086 -7.286 7.304) 15.891 7.453 ( -12.086 7.286 7.304) 15.891 7.667 ( -16.775 -4.424 11.628) 20.885 7.667 ( -16.775 4.424 11.628) 20.885 9.219 ( -2.961 -8.780 3.834) 10.028 9.219 ( -2.961 8.780 3.834) 10.028 10.327 ( 2.106 -8.401 -8.533) 12.158 10.327 ( 2.106 8.401 -8.533) 12.158 10.688 ( 3.347 -15.868 4.122) 16.733 10.688 ( 3.347 15.868 4.122) 16.733 12.765 ( 15.327 -13.357 -7.167) 21.557 12.765 ( 15.327 13.357 -7.167) 21.557 14.095 ( -2.712 -5.611 1.638) 6.444 14.095 ( -2.712 5.611 1.638) 6.444 14.967 ( 8.909 -23.512 -12.433) 28.049 14.967 ( 8.909 23.512 -12.433) 28.049 15.294 ( 11.966 -10.948 -0.138) 16.219 15.294 ( 11.966 10.948 -0.138) 16.219 15.658 ( -16.905 -11.950 8.402) 22.343 15.658 ( -16.905 11.950 8.402) 22.343 20.386 ( 7.465 -6.247 -5.719) 11.290 20.386 ( 7.465 6.247 -5.719) 11.290 22.783 ( 0.923 -8.495 -0.007) 8.545 22.783 ( 0.923 8.495 -0.007) 8.545 ======================= Grid point 259 (138/246) ======================= q-point: (-0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -8.018 -5.216 7.965) 12.448 2.164 ( -8.018 5.216 7.965) 12.448 2.727 ( 8.100 -11.308 7.365) 15.739 2.727 ( 8.100 11.308 7.365) 15.739 3.932 ( 27.393 -28.024 1.284) 39.209 3.932 ( 27.393 28.024 1.284) 39.209 4.922 ( 7.952 -11.142 -14.181) 19.710 4.922 ( 7.952 11.142 -14.181) 19.710 5.524 ( -0.828 -7.546 -3.611) 8.406 5.524 ( -0.828 7.546 -3.611) 8.406 6.466 ( 10.043 -10.234 5.740) 15.445 6.466 ( 10.043 10.234 5.740) 15.445 7.237 ( -15.343 -3.555 7.410) 17.405 7.237 ( -15.343 3.555 7.410) 17.405 7.563 ( -5.918 -3.026 17.999) 19.188 7.563 ( -5.918 3.026 17.999) 19.188 9.080 ( -10.835 -9.553 -5.485) 15.452 9.080 ( -10.835 9.553 -5.485) 15.452 10.085 ( -9.038 -20.043 -15.808) 27.079 10.085 ( -9.038 20.043 -15.808) 27.079 11.116 ( 19.800 -9.234 25.012) 33.210 11.116 ( 19.800 9.234 25.012) 33.210 12.935 ( 9.721 -9.467 -12.813) 18.663 12.935 ( 9.721 9.467 -12.813) 18.663 14.001 ( -4.167 -3.253 -3.803) 6.512 14.001 ( -4.167 3.253 -3.803) 6.512 14.853 ( -10.147 -11.499 -4.170) 15.893 14.853 ( -10.147 11.499 -4.170) 15.893 15.387 ( -16.503 -16.422 9.514) 25.150 15.387 ( -16.503 16.422 9.514) 25.150 15.696 ( 27.602 -34.115 -12.371) 45.593 15.696 ( 27.602 34.115 -12.371) 45.593 20.553 ( 10.618 -5.519 3.116) 12.366 20.553 ( 10.618 5.519 3.116) 12.366 22.705 ( -5.886 -9.935 -7.406) 13.719 22.705 ( -5.886 9.935 -7.406) 13.719 ======================= Grid point 297 (139/246) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -12.749 0.000 21.444) 24.948 2.208 ( -12.625 0.000 22.263) 25.593 2.786 ( 15.730 0.000 -4.438) 16.344 2.998 ( 16.599 0.000 -4.319) 17.152 3.977 ( 7.489 0.000 36.598) 37.356 4.301 ( -0.799 0.000 22.218) 22.233 4.478 ( 5.354 0.000 23.214) 23.823 4.871 ( 7.452 0.000 24.354) 25.469 5.110 ( -2.470 0.000 49.728) 49.789 5.918 ( 3.426 0.000 -5.394) 6.390 6.554 ( 5.343 0.000 4.815) 7.193 6.781 ( -17.260 0.000 2.304) 17.414 6.982 ( -16.771 0.000 -0.019) 16.771 7.309 ( 0.148 0.000 2.752) 2.756 7.321 ( -5.844 0.000 2.593) 6.393 8.051 ( 1.791 0.000 -12.693) 12.818 8.432 ( -0.531 0.000 -34.159) 34.163 8.534 ( -10.396 0.000 -17.947) 20.740 9.273 ( 0.604 0.000 17.995) 18.006 10.753 ( -2.430 0.000 -17.543) 17.711 12.016 ( 4.745 0.000 0.753) 4.804 12.181 ( 14.563 0.000 2.223) 14.732 12.562 ( 10.128 0.000 0.754) 10.156 12.862 ( 17.623 0.000 -5.868) 18.575 13.788 ( 4.165 0.000 17.395) 17.887 14.066 ( 4.976 0.000 5.849) 7.679 14.496 ( -2.317 0.000 3.424) 4.135 14.814 ( -10.137 0.000 -12.716) 16.262 15.149 ( -4.192 0.000 -3.618) 5.538 15.741 ( 8.777 0.000 -18.384) 20.372 17.293 ( -9.934 0.000 13.289) 16.592 18.047 ( 4.414 0.000 -10.770) 11.639 20.222 ( 13.801 0.000 8.796) 16.366 20.796 ( -28.678 0.000 -6.903) 29.497 21.200 ( 0.222 0.000 27.670) 27.671 22.840 ( -6.379 0.000 -20.901) 21.853 ======================= Grid point 298 (140/246) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -4.982 0.000 16.227) 16.974 2.195 ( -4.957 0.000 15.646) 16.413 3.116 ( 21.621 0.000 -7.774) 22.976 3.307 ( 19.292 0.000 -7.921) 20.855 4.249 ( -4.880 0.000 23.144) 23.653 4.490 ( -9.963 0.000 15.298) 18.256 4.563 ( 10.167 0.000 23.750) 25.834 5.395 ( 22.100 0.000 7.362) 23.294 5.585 ( 9.189 0.000 46.163) 47.069 6.020 ( 7.653 0.000 -1.518) 7.802 6.573 ( -8.368 0.000 1.524) 8.506 6.635 ( -18.080 0.000 4.093) 18.537 6.708 ( 3.614 0.000 11.247) 11.813 7.340 ( 3.284 0.000 4.115) 5.265 7.391 ( 3.083 0.000 13.106) 13.463 7.891 ( -2.325 0.000 -25.976) 26.080 8.128 ( -13.336 0.000 -22.514) 26.167 8.391 ( 20.131 0.000 -17.013) 26.357 9.403 ( -6.252 0.000 26.263) 26.997 10.506 ( -7.485 0.000 -20.557) 21.878 12.098 ( 2.229 0.000 -3.590) 4.226 12.381 ( 6.400 0.000 -1.472) 6.567 12.576 ( -1.066 0.000 -3.664) 3.816 12.970 ( 3.798 0.000 -14.039) 14.543 14.178 ( -1.031 0.000 1.813) 2.085 14.209 ( 16.699 0.000 24.217) 29.416 14.413 ( -6.551 0.000 -5.543) 8.581 14.511 ( -6.622 0.000 -10.612) 12.509 15.023 ( -5.290 0.000 -0.314) 5.299 15.874 ( 18.677 0.000 -17.216) 25.401 17.137 ( -17.405 0.000 13.838) 22.236 18.032 ( 2.222 0.000 -8.580) 8.863 20.253 ( -22.252 0.000 -5.105) 22.830 20.663 ( 22.719 0.000 12.914) 26.133 21.440 ( 0.629 0.000 29.644) 29.651 22.534 ( -7.866 0.000 -21.462) 22.858 ======================= Grid point 299 (141/246) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 2.339 0.000 12.145) 12.368 2.255 ( 0.425 0.000 9.682) 9.691 3.388 ( 13.365 0.000 -13.649) 19.103 3.516 ( 7.068 0.000 -10.429) 12.599 4.283 ( -2.643 0.000 12.525) 12.801 4.492 ( -1.156 0.000 14.526) 14.572 5.037 ( 17.325 0.000 27.356) 32.380 5.598 ( 3.808 0.000 -21.900) 22.228 5.946 ( 0.285 0.000 2.819) 2.833 6.139 ( 6.582 0.000 -3.448) 7.430 6.278 ( -16.602 0.000 3.542) 16.975 6.634 ( 0.083 0.000 22.963) 22.963 6.849 ( -1.816 0.000 12.324) 12.457 7.465 ( 4.340 0.000 6.677) 7.964 7.620 ( 8.169 0.000 12.970) 15.328 7.775 ( -5.246 0.000 -9.625) 10.962 7.778 ( 10.140 0.000 -5.951) 11.757 8.829 ( 33.119 0.000 -7.774) 34.019 9.442 ( -13.026 0.000 29.979) 32.687 10.143 ( -11.964 0.000 -23.567) 26.430 11.991 ( -6.105 0.000 -8.137) 10.172 12.391 ( -2.894 0.000 -5.749) 6.436 12.602 ( 4.356 0.000 -3.141) 5.370 12.838 ( -4.927 0.000 -14.840) 15.636 14.011 ( -6.245 0.000 -10.280) 12.028 14.063 ( -17.172 0.000 -13.186) 21.650 14.504 ( 4.008 0.000 4.574) 6.082 14.750 ( 17.251 0.000 18.797) 25.513 15.004 ( 0.581 0.000 7.415) 7.438 16.147 ( 24.169 0.000 -18.544) 30.463 16.855 ( -24.228 0.000 15.831) 28.941 17.987 ( -0.812 0.000 -7.500) 7.544 19.871 ( -13.322 0.000 -4.550) 14.078 21.263 ( 27.454 0.000 13.613) 30.644 21.692 ( 0.452 0.000 30.485) 30.489 22.199 ( -9.258 0.000 -20.732) 22.705 ======================= Grid point 300 (142/246) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 6.357 0.000 9.992) 11.843 2.360 ( 3.630 0.000 6.488) 7.435 3.365 ( -13.241 0.000 -8.917) 15.964 3.395 ( 1.435 0.000 -16.592) 16.654 4.386 ( 6.637 0.000 -1.186) 6.742 4.620 ( -0.878 0.000 12.147) 12.179 5.303 ( -8.432 0.000 -29.351) 30.538 5.626 ( 12.641 0.000 27.009) 29.820 5.711 ( -8.197 0.000 -7.677) 11.230 5.991 ( -18.955 0.000 1.280) 18.998 6.201 ( 3.764 0.000 -6.932) 7.888 6.719 ( -4.716 0.000 8.473) 9.697 6.819 ( -1.111 0.000 -2.431) 2.673 7.745 ( 14.613 0.000 18.925) 23.910 7.824 ( 8.097 0.000 7.946) 11.345 7.864 ( 5.759 0.000 11.566) 12.920 8.169 ( 21.384 0.000 15.310) 26.299 9.389 ( 19.953 0.000 -8.062) 21.520 9.396 ( -17.263 0.000 32.928) 37.179 9.731 ( -2.067 0.000 -21.941) 22.038 11.839 ( -2.559 0.000 -6.333) 6.831 12.149 ( -14.337 0.000 -14.847) 20.639 12.510 ( -9.119 0.000 -18.505) 20.630 12.588 ( -8.036 0.000 -12.737) 15.060 13.722 ( -6.012 0.000 -3.096) 6.762 13.899 ( 0.338 0.000 -3.871) 3.885 14.645 ( 5.161 0.000 7.187) 8.848 15.025 ( 4.255 0.000 2.128) 4.758 15.262 ( 11.564 0.000 21.792) 24.670 16.473 ( -28.613 0.000 16.744) 33.152 16.486 ( 27.246 0.000 -20.762) 34.255 17.855 ( -6.202 0.000 -10.012) 11.777 19.690 ( -2.733 0.000 -1.175) 2.975 21.666 ( -5.213 0.000 -11.563) 12.684 21.933 ( -0.724 0.000 30.007) 30.015 22.065 ( 20.314 0.000 2.974) 20.531 ======================= Grid point 301 (143/246) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 6.017 0.000 8.721) 10.595 2.487 ( 4.332 0.000 5.473) 6.980 2.941 ( -21.765 0.000 -9.748) 23.848 3.239 ( -2.530 0.000 -16.678) 16.869 4.430 ( 1.043 0.000 -9.973) 10.027 4.434 ( -23.454 0.000 -2.554) 23.592 5.017 ( -4.040 0.000 -10.074) 10.854 5.242 ( -24.803 0.000 -0.600) 24.810 5.563 ( -25.392 0.000 3.827) 25.678 6.202 ( 4.644 0.000 -8.416) 9.612 6.295 ( 19.803 0.000 33.248) 38.699 6.757 ( 4.988 0.000 3.369) 6.019 6.854 ( 6.331 0.000 -2.978) 6.997 7.977 ( 6.487 0.000 6.114) 8.915 7.996 ( -1.179 0.000 9.896) 9.966 8.306 ( 19.504 0.000 19.433) 27.532 8.685 ( 19.258 0.000 11.016) 22.186 9.021 ( -20.350 0.000 -26.857) 33.696 9.345 ( -16.123 0.000 37.951) 41.234 10.110 ( 28.466 0.000 -3.263) 28.652 11.624 ( -22.966 0.000 -25.163) 34.067 11.735 ( -5.394 0.000 -17.347) 18.166 12.077 ( -10.298 0.000 -15.014) 18.206 12.358 ( -8.302 0.000 -5.612) 10.021 13.794 ( 8.076 0.000 7.125) 10.770 13.923 ( 2.923 0.000 -0.579) 2.980 14.798 ( 4.265 0.000 7.420) 8.558 15.091 ( 0.775 0.000 3.047) 3.144 15.566 ( -2.744 0.000 16.940) 17.161 16.113 ( -16.170 0.000 17.513) 23.836 16.840 ( 26.623 0.000 -22.172) 34.646 17.593 ( -9.570 0.000 -15.222) 17.980 19.751 ( 6.600 0.000 5.950) 8.887 21.258 ( -17.320 0.000 -19.431) 26.030 22.129 ( -2.870 0.000 26.774) 26.928 22.609 ( 24.754 0.000 6.726) 25.652 ======================= Grid point 302 (144/246) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -23.678 0.000 -3.262) 23.901 2.600 ( 2.554 0.000 5.668) 6.217 2.652 ( 2.429 0.000 4.053) 4.725 3.076 ( -1.015 0.000 -13.366) 13.405 3.864 ( -31.436 0.000 -0.932) 31.450 4.234 ( -13.639 0.000 -8.827) 16.246 4.801 ( -25.262 0.000 14.169) 28.964 4.858 ( -10.652 0.000 3.898) 11.343 5.151 ( -22.709 0.000 10.783) 25.139 6.278 ( 8.879 0.000 -6.662) 11.101 6.871 ( 11.343 0.000 20.929) 23.805 6.954 ( 12.011 0.000 14.303) 18.677 6.964 ( 6.914 0.000 -3.480) 7.740 7.914 ( -16.996 0.000 2.168) 17.133 8.139 ( 6.911 0.000 2.784) 7.451 8.462 ( -11.434 0.000 -22.944) 25.635 8.757 ( 14.105 0.000 11.015) 17.897 9.032 ( 12.044 0.000 -0.544) 12.057 9.447 ( -7.000 0.000 46.936) 47.455 10.567 ( 20.770 0.000 -1.016) 20.795 10.885 ( -31.321 0.000 -30.118) 43.452 11.328 ( -8.355 0.000 -27.695) 28.928 12.033 ( 3.111 0.000 1.054) 3.285 12.186 ( -6.295 0.000 -1.585) 6.492 13.973 ( 3.043 0.000 -2.183) 3.745 14.029 ( 8.808 0.000 6.596) 11.005 14.916 ( 2.689 0.000 5.348) 5.986 15.088 ( -10.855 0.000 13.285) 17.156 15.308 ( -19.810 0.000 1.784) 19.890 16.300 ( 11.549 0.000 20.930) 23.904 16.995 ( -0.248 0.000 -21.602) 21.604 17.417 ( 13.681 0.000 -18.999) 23.412 20.003 ( 10.584 0.000 13.635) 17.261 20.763 ( -17.694 0.000 -18.105) 25.316 22.236 ( -5.469 0.000 19.427) 20.182 23.045 ( 17.157 0.000 0.471) 17.163 ======================= Grid point 303 (145/246) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -17.499 0.000 12.926) 21.755 2.655 ( -2.512 0.000 5.012) 5.606 2.703 ( -0.462 0.000 2.093) 2.143 3.029 ( 4.128 0.000 -5.364) 6.769 3.287 ( -30.739 0.000 12.294) 33.106 3.837 ( -25.926 0.000 10.491) 27.968 4.500 ( -19.072 0.000 14.602) 24.020 4.716 ( -10.764 0.000 14.834) 18.328 4.890 ( -17.481 0.000 21.044) 27.357 6.385 ( 5.699 0.000 -4.442) 7.226 7.044 ( 3.492 0.000 -5.037) 6.129 7.057 ( 7.753 0.000 -5.447) 9.475 7.353 ( 1.673 0.000 33.046) 33.088 7.362 ( -27.641 0.000 -14.163) 31.058 8.284 ( 0.787 0.000 -8.999) 9.034 8.303 ( 8.619 0.000 2.675) 9.025 8.994 ( 3.357 0.000 2.135) 3.978 9.135 ( 4.534 0.000 -12.693) 13.478 9.816 ( -12.308 0.000 32.882) 35.110 10.020 ( -16.047 0.000 -6.937) 17.482 10.857 ( 9.886 0.000 -5.445) 11.286 11.170 ( 11.837 0.000 -11.809) 16.720 12.075 ( -0.727 0.000 1.481) 1.650 12.109 ( -0.761 0.000 0.107) 0.769 13.997 ( 2.575 0.000 -5.571) 6.137 14.193 ( 5.043 0.000 -0.727) 5.095 14.729 ( -31.122 0.000 19.161) 36.548 14.988 ( 2.023 0.000 1.746) 2.672 15.199 ( 1.913 0.000 -2.346) 3.027 16.642 ( -12.869 0.000 -22.047) 25.528 16.717 ( 12.813 0.000 21.350) 24.900 17.664 ( 21.642 0.000 -17.406) 27.773 20.328 ( -13.532 0.000 -13.976) 19.454 20.336 ( 9.482 0.000 19.860) 22.008 22.210 ( -9.154 0.000 7.384) 11.761 23.263 ( 8.324 0.000 -6.935) 10.834 ======================= Grid point 304 (146/246) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -4.706 0.000 30.495) 30.856 2.561 ( -13.309 0.000 10.256) 16.802 2.695 ( 0.139 0.000 0.417) 0.440 2.780 ( -18.085 0.000 2.557) 18.264 3.348 ( 13.235 0.000 22.632) 26.218 3.501 ( -23.527 0.000 30.623) 38.617 4.296 ( -14.047 0.000 14.719) 20.346 4.698 ( -7.518 0.000 23.649) 24.815 4.813 ( -12.713 0.000 30.947) 33.456 6.404 ( -2.094 0.000 -1.710) 2.704 6.627 ( -23.744 0.000 -15.563) 28.390 7.111 ( 5.005 0.000 -10.830) 11.931 7.193 ( 7.280 0.000 -5.838) 9.332 7.473 ( -12.058 0.000 22.361) 25.405 8.231 ( -0.040 0.000 -8.706) 8.707 8.478 ( -10.917 0.000 2.993) 11.319 8.643 ( -26.784 0.000 -0.987) 26.802 9.020 ( -1.059 0.000 -23.049) 23.073 9.268 ( -4.000 0.000 -15.702) 16.203 10.751 ( 31.225 0.000 49.796) 58.776 10.909 ( 5.800 0.000 -12.817) 14.069 11.530 ( 24.216 0.000 5.554) 24.845 12.032 ( -3.949 0.000 1.554) 4.244 12.174 ( 7.116 0.000 2.086) 7.415 13.988 ( 2.017 0.000 -7.074) 7.356 14.113 ( -12.597 0.000 -4.927) 13.526 14.459 ( -8.891 0.000 16.124) 18.413 15.025 ( 1.849 0.000 -2.103) 2.800 15.222 ( 0.925 0.000 -0.331) 0.982 16.221 ( -11.974 0.000 -22.029) 25.073 17.085 ( 7.523 0.000 19.646) 21.037 17.897 ( 15.539 0.000 -14.602) 21.324 20.053 ( -5.851 0.000 -7.035) 9.150 20.660 ( 5.733 0.000 24.137) 24.808 21.970 ( -17.174 0.000 -6.231) 18.269 23.264 ( 0.843 0.000 -13.645) 13.671 ======================= Grid point 305 (147/246) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -11.468 0.000 26.960) 29.297 2.342 ( -20.776 0.000 24.099) 31.818 2.637 ( 2.759 0.000 -4.130) 4.967 2.774 ( 8.897 0.000 -1.489) 9.021 3.545 ( -2.460 0.000 45.296) 45.363 3.907 ( 21.622 0.000 29.196) 36.331 4.217 ( -7.684 0.000 18.557) 20.085 4.763 ( -8.204 0.000 27.147) 28.360 4.882 ( -9.392 0.000 39.487) 40.588 6.073 ( -13.133 0.000 -12.347) 18.025 6.457 ( 1.838 0.000 0.863) 2.030 7.067 ( -1.947 0.000 -12.063) 12.220 7.278 ( 4.393 0.000 -3.274) 5.479 7.281 ( -19.974 0.000 9.630) 22.174 7.667 ( -37.057 0.000 4.193) 37.294 8.137 ( -1.021 0.000 -10.901) 10.949 8.720 ( -0.982 0.000 4.979) 5.075 8.753 ( -3.591 0.000 -30.980) 31.187 9.170 ( 2.115 0.000 -5.575) 5.963 10.881 ( 2.421 0.000 -14.924) 15.119 11.694 ( 30.595 0.000 21.063) 37.144 11.953 ( 2.972 0.000 0.706) 3.054 12.139 ( 22.582 0.000 10.912) 25.080 12.448 ( 18.821 0.000 6.525) 19.920 13.824 ( -13.301 0.000 3.607) 13.781 13.982 ( 2.468 0.000 -2.960) 3.854 14.483 ( -1.319 0.000 7.664) 7.777 15.004 ( -1.646 0.000 -6.358) 6.567 15.216 ( -0.837 0.000 -1.861) 2.040 15.869 ( -5.279 0.000 -21.240) 21.886 17.289 ( -1.341 0.000 15.886) 15.943 18.020 ( 8.730 0.000 -12.606) 15.334 20.010 ( 3.836 0.000 1.550) 4.137 20.936 ( 1.918 0.000 26.491) 26.561 21.458 ( -27.432 0.000 -11.261) 29.654 23.100 ( -3.973 0.000 -18.444) 18.867 ======================= Grid point 306 (148/246) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -7.215 -7.271 17.802) 20.539 2.476 ( -10.685 16.551 21.168) 28.917 2.516 ( 11.707 -15.287 -5.472) 20.017 3.277 ( 18.770 16.665 -2.057) 25.185 3.967 ( -2.970 -7.928 28.571) 29.799 4.297 ( 2.004 5.384 23.566) 24.256 4.494 ( 4.133 2.713 27.325) 27.769 4.727 ( 17.793 -7.237 33.073) 38.246 5.226 ( -5.618 5.068 22.945) 24.160 6.051 ( 5.892 10.972 1.962) 12.607 6.633 ( 5.520 6.193 2.145) 8.569 6.731 ( -8.710 -4.773 1.474) 10.041 6.992 ( -16.784 1.458 2.583) 17.045 7.314 ( -6.188 5.061 6.697) 10.429 7.400 ( -7.500 3.992 -0.086) 8.497 7.983 ( 3.683 -6.455 -9.232) 11.852 8.227 ( -7.027 -9.266 -28.642) 30.913 8.762 ( -7.608 11.452 -22.765) 26.595 9.228 ( 1.845 -4.224 20.047) 20.570 10.714 ( -2.369 -3.650 -16.405) 16.972 12.036 ( 5.395 1.033 -0.015) 5.493 12.190 ( 14.100 0.734 2.181) 14.287 12.510 ( 11.332 -2.787 2.053) 11.849 12.929 ( 10.215 4.804 -11.745) 16.290 13.725 ( 12.866 -7.844 25.663) 29.760 14.007 ( 6.214 -4.809 5.038) 9.334 14.423 ( -4.056 -3.967 1.928) 5.992 14.789 ( -9.170 -2.381 -10.304) 13.997 15.093 ( -4.800 -3.922 -4.697) 7.777 15.591 ( 6.230 -13.164 -17.237) 22.566 17.192 ( -12.931 -10.122 13.326) 21.148 17.959 ( 6.408 -8.853 -11.244) 15.680 20.279 ( 14.684 5.396 9.048) 18.072 20.938 ( -26.319 11.097 -7.775) 29.603 21.240 ( -0.678 4.233 23.102) 23.496 22.816 ( -6.891 -2.391 -20.535) 21.792 ======================= Grid point 307 (149/246) ======================= q-point: ( 0.11 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 3.558 -1.248 10.213) 10.887 2.421 ( -10.082 16.150 16.745) 25.355 2.794 ( 20.844 -19.250 -6.675) 29.148 3.582 ( 14.689 14.379 -10.318) 23.000 4.044 ( -6.325 -16.237 25.954) 31.261 4.561 ( 1.029 7.666 18.468) 20.023 4.652 ( 1.385 5.138 18.184) 18.947 5.290 ( 18.179 -8.927 3.357) 20.529 5.561 ( 14.657 0.369 35.449) 38.362 6.210 ( 6.410 13.140 2.352) 14.808 6.539 ( -12.327 -1.945 -3.785) 13.041 6.690 ( -10.879 6.020 11.339) 16.827 6.812 ( 2.387 7.646 9.022) 12.065 7.332 ( -0.571 -0.924 4.024) 4.168 7.410 ( 5.082 2.451 12.197) 13.439 7.825 ( -5.566 -5.796 -26.210) 27.414 8.009 ( -0.150 -7.020 -13.571) 15.280 8.553 ( 10.345 10.697 -17.976) 23.337 9.394 ( -5.183 -0.812 27.117) 27.620 10.473 ( -7.687 -3.227 -19.885) 21.562 12.106 ( 2.006 0.663 -3.707) 4.267 12.377 ( 6.012 -0.500 -3.206) 6.832 12.583 ( 0.575 0.729 -3.298) 3.426 12.927 ( 2.538 -3.815 -12.491) 13.305 14.145 ( 3.390 -1.954 7.488) 8.449 14.263 ( 10.147 2.181 13.605) 17.112 14.321 ( -2.590 -6.814 -3.574) 8.119 14.524 ( -4.643 1.110 -6.954) 8.435 14.937 ( -5.953 -7.080 -0.802) 9.285 15.704 ( 17.561 -14.883 -16.422) 28.277 16.983 ( -19.981 -14.721 14.054) 28.521 17.970 ( 3.191 -6.281 -8.775) 11.253 20.375 ( -22.739 10.840 -7.908) 26.403 20.729 ( 22.448 5.907 12.867) 26.540 21.472 ( 1.186 2.846 28.330) 28.497 22.501 ( -8.439 -3.171 -21.292) 23.122 ======================= Grid point 308 (150/246) ======================= q-point: ( 0.22 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 9.181 3.599 5.482) 11.283 2.373 ( -6.710 10.321 12.711) 17.695 3.134 ( 19.385 -17.787 -9.969) 28.134 3.588 ( -4.867 -1.068 -6.942) 8.546 4.218 ( 5.468 -3.657 11.380) 13.144 4.543 ( -6.169 4.955 9.533) 12.389 5.028 ( 14.185 -1.521 23.205) 27.239 5.488 ( 7.919 -8.494 -15.685) 19.516 5.900 ( -1.467 -0.536 -5.369) 5.592 6.195 ( -13.457 -5.796 -4.168) 15.234 6.288 ( -2.124 4.696 -2.838) 5.884 6.687 ( 0.243 8.908 19.818) 21.730 6.990 ( 1.396 10.090 11.886) 15.653 7.427 ( 5.919 -3.931 8.823) 11.328 7.584 ( 3.901 -4.927 -7.067) 9.457 7.668 ( 4.096 2.736 13.523) 14.392 7.953 ( 7.231 6.390 -0.309) 9.655 8.898 ( 31.202 6.328 -7.261) 32.655 9.451 ( -12.389 0.950 29.691) 32.186 10.106 ( -12.350 -3.528 -23.384) 26.679 12.002 ( -6.095 1.119 -8.023) 10.137 12.372 ( -2.530 -1.713 -7.063) 7.695 12.615 ( 3.692 0.874 -3.775) 5.352 12.816 ( -3.866 -1.740 -12.360) 13.067 13.956 ( -11.213 -5.882 -12.302) 17.654 14.046 ( -12.442 -1.534 -12.353) 17.599 14.465 ( 4.832 -3.068 6.762) 8.859 14.810 ( 14.545 4.999 14.107) 20.870 14.951 ( 4.292 -4.561 10.342) 12.090 15.955 ( 22.772 -17.007 -18.622) 33.979 16.661 ( -25.751 -17.960 15.607) 35.060 17.936 ( -0.513 -5.040 -7.300) 8.886 19.964 ( -13.861 8.554 -6.526) 17.547 21.313 ( 26.081 4.305 13.530) 29.695 21.723 ( 0.849 2.782 29.475) 29.619 22.159 ( -9.401 -3.800 -20.447) 22.823 ======================= Grid point 309 (151/246) ======================= q-point: ( 0.33 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 6.548 6.024 7.125) 11.399 2.389 ( 1.054 2.851 7.179) 7.796 3.289 ( 2.503 -7.913 -12.352) 14.881 3.366 ( -9.435 -3.940 -7.549) 12.709 4.328 ( 5.500 -4.460 -6.717) 9.760 4.541 ( -6.737 -6.665 11.676) 15.038 5.207 ( -7.794 -8.049 -21.132) 23.918 5.574 ( -14.606 -9.082 -13.074) 21.604 5.640 ( 17.191 -0.630 21.107) 27.229 5.875 ( -18.725 -7.059 -1.011) 20.037 6.196 ( 0.584 -3.993 -17.040) 17.511 6.848 ( 2.031 11.514 11.099) 16.121 6.992 ( -1.698 13.908 0.181) 14.012 7.679 ( 7.790 -8.378 10.381) 15.448 7.808 ( 13.595 3.144 18.288) 23.003 7.921 ( 8.044 5.690 16.243) 18.998 8.288 ( 18.834 7.924 13.875) 24.699 9.404 ( -13.472 1.334 24.737) 28.199 9.443 ( 13.422 4.586 -1.785) 14.296 9.690 ( 0.052 -3.900 -20.572) 20.938 11.837 ( -4.178 -0.002 -6.326) 7.581 12.138 ( -12.692 -1.040 -16.485) 20.831 12.497 ( -9.845 -1.378 -17.472) 20.102 12.597 ( -8.177 0.935 -12.324) 14.819 13.674 ( -3.852 -4.706 -2.962) 6.765 13.887 ( -0.568 -1.607 -2.873) 3.340 14.610 ( 4.600 -2.990 7.740) 9.487 15.012 ( 4.247 -1.238 3.388) 5.572 15.294 ( 11.711 2.911 20.199) 23.529 16.242 ( -7.391 -20.083 1.364) 21.443 16.285 ( 5.397 -18.957 -7.292) 21.016 17.811 ( -6.157 -4.287 -9.284) 11.937 19.756 ( -3.447 6.133 -3.160) 7.712 21.631 ( -8.012 -3.646 -13.981) 16.521 21.972 ( 0.289 3.314 29.032) 29.222 22.078 ( 21.458 1.187 5.748) 22.246 ======================= Grid point 310 (152/246) ======================= q-point: (-0.56 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 1.989 0.240 10.497) 10.687 2.521 ( 4.737 1.973 3.141) 6.016 2.956 ( -19.266 1.240 -9.882) 21.688 3.219 ( -2.574 -2.467 -14.801) 15.224 4.245 ( -28.744 -17.046 -3.457) 33.596 4.360 ( 4.807 -7.906 -12.978) 15.939 4.866 ( -9.770 -12.714 -9.833) 18.809 5.218 ( -16.886 -1.113 -1.729) 17.011 5.505 ( -17.632 -2.623 2.194) 17.961 6.051 ( 3.518 -12.652 -14.589) 19.629 6.241 ( 17.383 -5.082 27.310) 32.770 6.912 ( -1.562 15.539 6.883) 17.067 7.089 ( 10.138 15.682 0.671) 18.686 7.871 ( 5.337 -9.279 5.860) 12.204 8.023 ( -0.146 2.550 10.093) 10.411 8.356 ( 15.501 5.099 22.281) 27.618 8.766 ( 18.493 5.158 7.575) 20.639 9.013 ( -19.293 -0.002 -22.762) 29.838 9.376 ( -14.715 2.849 35.507) 38.540 10.106 ( 27.190 -0.296 -3.166) 27.376 11.587 ( -20.313 -3.468 -22.815) 30.744 11.735 ( -8.822 0.020 -21.438) 23.183 12.056 ( -11.404 -1.815 -13.713) 17.927 12.400 ( -5.090 3.478 -5.629) 8.348 13.772 ( 8.099 -2.646 8.559) 12.077 13.907 ( 2.067 -1.388 0.936) 2.660 14.757 ( 3.508 -3.728 8.438) 9.869 15.082 ( -0.358 -0.741 4.349) 4.426 15.502 ( -13.272 -7.770 13.155) 20.238 15.978 ( -4.726 -9.204 18.155) 20.896 16.616 ( 28.265 -21.177 -23.815) 42.597 17.551 ( -10.540 -3.711 -14.250) 18.109 19.783 ( 5.548 2.933 3.672) 7.271 21.213 ( -16.562 -4.344 -19.943) 26.285 22.181 ( -1.415 4.412 25.882) 26.294 22.615 ( 23.530 0.258 7.465) 24.687 ======================= Grid point 311 (153/246) ======================= q-point: (-0.44 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -22.319 0.487 -2.818) 22.502 2.573 ( 1.855 -1.927 7.470) 7.934 2.669 ( -1.141 0.687 1.332) 1.884 3.055 ( -2.137 -2.220 -11.749) 12.146 3.574 ( -34.329 -22.255 -2.929) 41.017 4.272 ( -5.101 -1.013 -8.193) 9.704 4.604 ( -15.597 -16.431 3.591) 22.938 4.900 ( -18.758 6.417 8.022) 21.387 5.258 ( -13.559 7.080 9.480) 17.996 6.054 ( 10.579 -19.796 -14.366) 26.649 6.772 ( 10.004 -6.551 27.502) 29.989 6.943 ( -0.800 8.299 10.031) 13.043 7.298 ( 10.937 16.830 -1.715) 20.145 7.874 ( -11.284 -6.950 -2.202) 13.434 8.078 ( 1.147 -1.980 6.243) 6.649 8.470 ( -11.255 -0.108 -19.875) 22.841 8.753 ( 10.441 1.181 11.882) 15.862 9.130 ( 11.647 7.353 2.955) 14.088 9.493 ( -4.312 4.368 42.727) 43.165 10.523 ( 16.986 -3.783 -1.857) 17.501 10.888 ( -28.099 -0.285 -29.216) 40.537 11.300 ( -8.379 -2.452 -27.962) 29.293 11.954 ( -1.826 -3.851 2.555) 4.970 12.323 ( 0.800 9.042 -3.288) 9.654 13.944 ( 1.304 -1.828 -0.914) 2.424 14.022 ( 8.605 -1.842 10.190) 13.463 14.844 ( -5.513 -9.364 8.963) 14.086 14.990 ( -18.840 -7.843 12.192) 23.772 15.219 ( -5.965 -4.443 -2.721) 7.920 16.265 ( 10.780 -2.951 20.179) 23.068 16.904 ( 14.717 -12.388 -22.010) 29.232 17.269 ( 1.849 -10.221 -18.611) 21.314 19.993 ( 8.881 -0.956 11.282) 14.389 20.741 ( -15.503 -2.290 -18.352) 24.133 22.316 ( -3.347 6.471 18.302) 19.698 23.037 ( 16.343 -1.043 1.173) 16.418 ======================= Grid point 312 (154/246) ======================= q-point: (-0.33 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -16.397 2.158 11.983) 20.423 2.588 ( -11.603 -9.949 12.502) 19.746 2.658 ( -2.959 -4.015 2.337) 5.508 2.999 ( -21.814 -14.386 1.532) 26.176 3.005 ( 3.839 -3.611 0.055) 5.271 4.057 ( -15.742 12.073 6.135) 20.765 4.375 ( -15.400 -16.147 16.386) 27.683 4.635 ( -16.612 8.368 10.841) 21.529 5.132 ( -10.227 12.614 16.945) 23.469 6.201 ( 15.138 -21.347 -13.538) 29.464 6.850 ( -6.206 4.515 2.955) 8.224 7.054 ( -14.058 -15.057 10.679) 23.203 7.451 ( 7.497 15.533 -5.411) 18.076 7.552 ( -10.580 5.543 6.902) 13.795 8.129 ( 0.680 -9.891 -1.022) 9.967 8.321 ( 2.347 -1.437 -1.141) 2.979 8.934 ( 3.377 -2.202 -1.232) 4.216 9.266 ( 1.883 8.637 -6.087) 10.733 9.909 ( -2.682 7.908 38.280) 39.180 9.990 ( -22.439 -2.206 -15.441) 27.328 10.803 ( 9.152 -5.318 -5.067) 11.736 11.149 ( 11.650 -2.129 -11.344) 16.399 11.952 ( -0.428 -3.467 3.830) 5.184 12.334 ( 1.647 12.608 -3.636) 13.224 13.940 ( 0.706 -4.030 -4.469) 6.059 14.222 ( 5.642 1.605 2.287) 6.296 14.466 ( -30.230 -21.206 15.408) 40.012 14.944 ( 0.013 -3.296 2.903) 4.392 15.191 ( 1.328 -1.060 -1.823) 2.492 16.477 ( -6.267 -9.724 -2.991) 11.948 16.846 ( 5.427 5.710 3.331) 8.553 17.450 ( 23.355 -20.095 -18.728) 36.056 20.186 ( -3.418 -6.862 3.609) 8.473 20.446 ( 0.823 3.744 0.290) 3.844 22.323 ( -6.801 8.970 6.012) 12.762 23.248 ( 7.892 -1.601 -6.309) 10.229 ======================= Grid point 313 (155/246) ======================= q-point: (-0.22 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -6.721 1.274 27.013) 27.866 2.362 ( -20.331 -17.582 28.863) 39.441 2.564 ( -5.264 -5.207 -4.754) 8.799 2.832 ( 0.598 3.073 1.123) 3.326 3.244 ( 12.649 -4.160 17.153) 21.715 3.835 ( -17.392 20.796 25.240) 37.040 4.271 ( -12.124 -14.224 21.230) 28.285 4.456 ( -12.062 5.252 15.135) 20.054 5.140 ( -6.683 15.019 24.188) 29.245 6.377 ( 12.976 -13.218 -11.550) 21.829 6.515 ( -23.064 -5.670 -11.560) 26.415 6.829 ( -4.405 -4.956 1.129) 6.726 7.500 ( 0.526 11.385 -4.991) 12.443 7.516 ( -9.883 4.356 15.871) 19.198 8.084 ( -1.414 -12.347 -6.326) 13.945 8.471 ( 5.362 -3.266 11.190) 12.831 8.678 ( -40.986 6.275 -8.032) 42.235 8.957 ( -3.367 -3.354 -19.575) 20.144 9.405 ( -3.572 8.776 -17.391) 19.805 10.696 ( 23.567 -3.030 32.271) 40.075 10.904 ( 11.094 -2.788 4.442) 12.271 11.519 ( 25.720 -0.659 7.476) 26.793 12.013 ( 2.718 0.352 4.996) 5.698 12.319 ( 1.655 10.892 -3.573) 11.582 13.877 ( -7.179 -12.058 -5.627) 15.120 14.015 ( -12.572 -7.870 -0.236) 14.834 14.380 ( 0.266 -2.921 10.519) 10.920 14.959 ( 0.756 -5.128 -0.885) 5.259 15.198 ( 0.323 -2.353 -1.804) 2.982 16.142 ( -13.181 -6.949 -18.035) 23.394 17.098 ( 5.558 0.156 16.983) 17.870 17.721 ( 18.328 -16.970 -15.613) 29.456 20.034 ( -4.013 -1.274 -4.565) 6.210 20.671 ( 6.368 0.632 20.325) 21.308 22.116 ( -14.882 11.420 -7.851) 20.336 23.247 ( 0.529 -1.775 -13.107) 13.237 ======================= Grid point 314 (156/246) ======================= q-point: (-0.11 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -17.374 -11.376 23.092) 31.057 2.443 ( -1.575 -2.756 12.851) 13.237 2.455 ( -3.710 0.746 10.529) 11.189 2.971 ( 11.921 11.297 2.052) 16.551 3.646 ( 5.833 4.731 33.773) 34.598 3.974 ( 10.095 8.894 32.282) 34.974 4.233 ( -8.348 -6.613 21.027) 23.570 4.438 ( -6.967 -4.864 26.787) 28.102 5.209 ( -8.575 13.280 25.461) 29.969 6.088 ( -9.229 1.635 -9.277) 13.187 6.510 ( 8.188 0.251 -4.754) 9.472 6.806 ( 0.031 -11.831 -0.318) 11.836 7.300 ( -18.631 1.456 7.760) 20.235 7.463 ( -2.705 8.471 -6.283) 10.888 7.771 ( -36.916 10.266 1.652) 38.352 8.020 ( -0.971 -9.575 -7.881) 12.439 8.538 ( -5.159 -6.351 -12.001) 14.525 8.904 ( 4.547 0.945 1.112) 4.776 9.194 ( -3.877 4.036 -16.702) 17.615 10.827 ( 2.894 -4.661 -13.336) 14.420 11.637 ( 28.770 -6.166 21.378) 36.370 12.006 ( 7.048 4.922 1.509) 8.728 12.186 ( 16.229 5.742 7.505) 18.780 12.524 ( 22.826 5.912 8.748) 25.149 13.613 ( -12.503 -19.594 5.598) 23.908 13.941 ( 0.995 -2.562 -2.767) 3.900 14.442 ( -1.111 -1.724 5.826) 6.177 14.946 ( -0.872 -4.993 -4.943) 7.079 15.169 ( -1.065 -3.790 -3.257) 5.109 15.773 ( -8.497 -8.404 -18.990) 22.438 17.246 ( -3.974 -4.953 15.049) 16.334 17.890 ( 11.476 -12.733 -13.309) 21.702 20.037 ( 5.452 2.851 2.555) 6.662 20.943 ( 3.095 0.497 24.305) 24.506 21.629 ( -25.441 13.699 -14.097) 32.150 23.081 ( -4.346 -1.959 -17.949) 18.572 ======================= Grid point 315 (157/246) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 4.065 6.980 7.208) 10.826 2.229 ( 6.606 -11.085 -5.991) 14.227 2.844 ( -6.336 18.196 19.374) 27.324 3.511 ( 6.614 -7.643 24.063) 26.099 3.729 ( 0.903 2.670 -2.794) 3.969 4.502 ( 15.975 -3.186 18.455) 24.616 4.570 ( 5.563 14.932 25.345) 29.938 4.688 ( 4.940 5.721 27.606) 28.622 5.290 ( -0.995 2.078 9.749) 10.018 6.228 ( 12.509 1.533 -3.051) 12.967 6.598 ( 10.023 -2.724 8.454) 13.392 6.794 ( -5.483 6.239 3.078) 8.858 7.051 ( -13.954 4.213 6.155) 15.822 7.409 ( -5.476 0.361 -0.482) 5.509 7.608 ( -15.517 17.769 1.828) 23.661 7.820 ( 3.320 -7.150 -4.683) 9.169 8.104 ( -12.285 -2.323 -24.255) 27.288 8.933 ( -8.786 4.389 -21.006) 23.188 9.108 ( 5.241 -6.875 26.534) 27.907 10.609 ( -2.699 -6.543 -14.194) 15.861 11.995 ( 13.462 -4.620 4.730) 14.998 12.252 ( 6.838 5.730 -1.640) 9.071 12.503 ( 8.900 1.786 -2.165) 9.332 12.964 ( -5.272 -5.147 -14.501) 16.266 13.515 ( 34.283 -5.616 30.761) 46.401 13.945 ( 4.114 -1.209 3.685) 5.654 14.373 ( -4.611 -2.371 -5.185) 7.332 14.745 ( -7.316 -0.439 -4.398) 8.548 15.027 ( -6.384 -2.129 -4.699) 8.208 15.275 ( 1.083 -15.592 -13.903) 20.918 16.863 ( -19.498 -21.428 13.834) 32.105 17.670 ( 11.803 -19.075 -12.031) 25.454 20.435 ( 16.151 9.236 8.979) 20.659 21.121 ( -9.936 5.118 5.694) 12.544 21.402 ( -11.823 11.050 1.595) 16.261 22.738 ( -8.146 -5.269 -19.503) 21.783 ======================= Grid point 316 (158/246) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 11.232 10.190 0.688) 15.181 2.414 ( 16.785 -16.577 -6.247) 24.404 2.796 ( -11.948 19.606 14.911) 27.376 3.544 ( -13.755 -20.331 16.301) 29.466 3.958 ( 17.828 11.624 -0.261) 21.284 4.706 ( 2.579 -1.200 12.798) 13.111 4.778 ( -1.940 11.685 13.379) 17.869 5.089 ( 15.743 -8.014 1.103) 17.700 5.629 ( 15.867 5.687 26.602) 31.492 6.406 ( 6.222 4.001 -6.775) 10.031 6.512 ( -16.080 -0.811 -6.226) 17.262 6.857 ( -0.628 8.150 17.060) 18.917 6.979 ( 2.211 8.024 5.588) 10.025 7.305 ( -5.339 -1.244 4.298) 6.966 7.526 ( 2.926 8.852 0.402) 9.331 7.726 ( -7.417 -1.577 -12.302) 14.451 7.879 ( 5.169 -5.065 -4.517) 8.531 8.750 ( 8.413 7.731 -12.885) 17.221 9.370 ( -2.140 -1.586 29.340) 29.461 10.371 ( -8.530 -6.811 -18.553) 21.526 12.117 ( 2.364 0.194 -3.243) 4.018 12.363 ( 4.594 -0.534 -6.334) 7.843 12.604 ( 3.221 0.986 -3.399) 4.785 12.830 ( 0.998 -5.218 -9.414) 10.809 14.066 ( -4.448 -7.133 -2.209) 8.692 14.151 ( 10.783 -5.422 8.553) 14.793 14.291 ( 0.555 -1.916 2.030) 2.847 14.542 ( 1.868 -2.387 -3.512) 4.639 14.833 ( -5.515 1.462 0.271) 5.711 15.362 ( 13.843 -15.532 -11.663) 23.852 16.548 ( -24.543 -26.328 14.154) 38.676 17.760 ( 6.445 -14.249 -9.074) 18.081 20.648 ( -21.734 14.405 -12.095) 28.743 20.885 ( 20.965 8.644 11.905) 25.612 21.544 ( 2.334 3.686 24.895) 25.275 22.403 ( -9.876 -6.333 -20.661) 23.760 ======================= Grid point 317 (159/246) ======================= q-point: ( 0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 13.172 9.096 -2.436) 16.192 2.651 ( -12.552 15.377 11.879) 23.132 2.726 ( 19.537 -19.779 -7.942) 28.913 3.383 ( -12.943 -16.889 8.697) 22.987 4.236 ( 10.158 4.746 -1.791) 11.354 4.686 ( -9.977 7.312 2.823) 12.688 4.928 ( 6.608 -7.806 9.144) 13.720 5.345 ( 13.764 -4.639 -5.688) 15.598 5.906 ( -5.893 0.164 -9.224) 10.947 6.037 ( -18.665 -6.304 -5.868) 20.556 6.331 ( -4.867 -1.311 -17.454) 18.168 6.948 ( 1.861 13.263 11.582) 17.706 7.153 ( 6.408 2.781 8.031) 10.643 7.329 ( 2.408 -2.430 6.652) 7.480 7.593 ( 6.004 5.781 10.514) 13.417 7.769 ( 8.196 6.762 10.120) 14.674 8.038 ( 10.491 2.428 10.790) 15.244 9.060 ( 27.638 8.371 -4.434) 29.217 9.483 ( -10.180 2.101 29.070) 30.872 9.993 ( -13.382 -7.513 -22.727) 27.423 12.037 ( -5.715 2.212 -7.201) 9.456 12.327 ( -1.806 -2.463 -9.188) 9.682 12.617 ( 0.894 -1.044 -7.274) 7.402 12.791 ( 0.360 -0.235 -5.711) 5.727 13.758 ( -13.740 -13.295 -17.117) 25.663 13.971 ( -12.667 -6.595 -10.875) 17.950 14.406 ( 6.653 -2.203 8.009) 10.642 14.798 ( 5.457 -7.156 8.576) 12.431 14.982 ( 15.863 8.900 12.388) 22.007 15.557 ( 16.778 -18.069 -13.932) 28.321 16.167 ( -26.663 -27.990 14.068) 41.137 17.769 ( 0.904 -11.331 -6.778) 13.234 20.199 ( -14.797 13.430 -10.743) 22.688 21.411 ( 21.760 4.457 11.630) 25.072 21.791 ( 1.748 3.320 26.446) 26.711 22.049 ( -9.106 -6.567 -18.534) 21.669 ======================= Grid point 318 (160/246) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 6.763 3.370 -0.591) 7.579 2.524 ( -7.855 10.810 10.476) 16.980 3.009 ( 15.755 -18.934 -11.104) 27.019 3.198 ( -10.565 -11.721 2.198) 15.932 4.256 ( -0.859 -2.285 -16.391) 16.572 4.422 ( -18.839 -3.116 -0.921) 19.117 4.990 ( -7.075 -12.884 -11.530) 18.681 5.348 ( -10.895 -12.749 -18.688) 25.109 5.625 ( 4.130 -0.950 8.378) 9.389 5.803 ( -7.018 1.460 0.098) 7.169 6.065 ( -3.183 -6.655 -23.417) 24.551 7.123 ( 6.151 13.108 9.885) 17.532 7.274 ( 2.042 11.668 3.832) 12.450 7.478 ( 5.370 -10.318 9.454) 14.989 7.907 ( 9.679 5.998 14.483) 18.423 8.094 ( 11.420 10.339 23.510) 28.107 8.419 ( 16.984 4.293 15.242) 23.221 9.444 ( -16.177 1.418 13.665) 21.223 9.535 ( -13.898 -1.257 -6.785) 15.517 9.610 ( 28.873 2.264 -4.653) 29.333 11.847 ( -7.917 1.133 -6.628) 10.387 12.110 ( -8.848 -1.545 -20.651) 22.520 12.454 ( -11.419 -2.732 -15.775) 19.665 12.621 ( -9.349 1.058 -11.491) 14.851 13.518 ( 0.850 -10.717 -1.811) 10.902 13.796 ( -1.385 -8.489 0.369) 8.610 14.552 ( 3.335 -1.820 7.647) 8.539 14.973 ( 5.569 -2.815 6.155) 8.764 15.357 ( 8.975 1.068 12.526) 15.446 15.768 ( -0.849 -20.566 1.152) 20.615 15.796 ( -0.741 -25.054 -5.493) 25.660 17.673 ( -5.459 -9.321 -7.318) 13.047 19.927 ( -5.558 9.949 -7.864) 13.847 21.505 ( -11.189 -8.487 -18.195) 22.984 22.047 ( 1.703 3.410 26.766) 27.036 22.107 ( 21.213 1.380 9.424) 23.253 ======================= Grid point 319 (161/246) ======================= q-point: (-0.56 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -3.134 -1.213 8.361) 9.011 2.532 ( -3.710 -0.866 6.558) 7.584 2.974 ( -8.212 -0.109 -10.366) 13.225 3.107 ( -0.132 -8.720 -9.765) 13.092 3.859 ( -31.304 -16.407 -15.800) 38.714 4.097 ( 5.034 -15.592 -23.607) 28.736 4.549 ( -19.332 -17.115 -8.040) 27.042 5.188 ( -2.216 -4.700 -7.300) 8.961 5.518 ( -10.313 3.242 4.857) 11.851 5.806 ( -0.673 -6.756 -18.601) 19.801 6.125 ( 13.722 -5.027 20.355) 25.058 7.252 ( -2.517 15.139 8.585) 17.585 7.391 ( 9.167 12.148 2.678) 15.453 7.620 ( 2.777 -14.570 3.306) 15.197 8.098 ( 0.636 4.579 10.064) 11.075 8.497 ( 8.040 7.457 23.488) 25.922 8.807 ( 6.665 -0.944 -4.912) 8.333 9.051 ( -5.336 2.904 -5.475) 8.178 9.461 ( -11.126 5.382 30.908) 33.287 10.097 ( 22.849 -0.716 -2.920) 23.046 11.496 ( -20.408 -4.805 -21.085) 29.734 11.730 ( -10.653 -0.906 -31.298) 33.074 12.018 ( -11.129 -1.387 -8.207) 13.897 12.473 ( -0.569 2.909 -5.805) 6.518 13.647 ( 4.370 -10.183 15.407) 18.978 13.869 ( 4.355 -2.706 4.100) 6.565 14.661 ( -0.106 -4.875 8.888) 10.138 15.058 ( -4.617 -2.420 6.379) 8.238 15.257 ( -15.267 -11.368 3.502) 19.354 15.853 ( 11.089 -7.093 12.513) 18.162 16.056 ( 24.041 -25.828 -18.174) 39.690 17.442 ( -10.631 -7.172 -11.147) 16.992 19.864 ( 2.752 4.721 -1.966) 5.808 21.078 ( -14.615 -8.602 -21.249) 27.186 22.275 ( 1.067 3.903 23.437) 23.783 22.606 ( 20.613 -1.417 8.536) 22.356 ======================= Grid point 320 (162/246) ======================= q-point: (-0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -16.398 -8.259 6.698) 19.544 2.537 ( -4.027 -0.836 5.655) 6.993 2.645 ( -16.333 -3.123 -4.721) 17.286 2.965 ( -6.081 -6.323 -5.279) 10.238 3.166 ( -19.270 -12.381 -19.367) 29.995 4.099 ( 2.253 -14.796 -6.249) 16.218 4.235 ( -4.702 -19.355 -7.003) 21.113 5.062 ( -8.263 6.470 0.768) 10.523 5.403 ( -7.406 3.660 7.798) 11.360 5.673 ( 2.047 -9.219 -14.741) 17.507 6.560 ( 9.540 -11.816 25.892) 30.017 7.207 ( -8.147 12.787 6.027) 16.316 7.586 ( 6.095 6.747 -1.955) 9.300 7.595 ( -1.433 -13.971 -4.851) 14.858 8.115 ( -6.919 3.954 10.029) 12.810 8.445 ( -10.889 -1.916 -12.789) 16.905 8.830 ( 4.525 5.653 12.853) 14.752 9.266 ( 9.333 4.878 7.851) 13.136 9.613 ( 0.708 6.745 33.133) 33.820 10.424 ( 13.160 -5.706 -2.876) 14.629 10.854 ( -24.922 -2.819 -26.358) 36.384 11.237 ( -8.672 -3.581 -30.187) 31.612 11.917 ( -2.466 0.368 3.934) 4.658 12.489 ( 6.450 6.116 -5.632) 10.523 13.872 ( 2.487 -9.533 17.785) 20.332 13.954 ( 0.749 -0.765 6.259) 6.350 14.550 ( -17.257 -12.301 0.425) 21.197 14.927 ( -5.546 0.859 6.788) 8.808 15.171 ( -1.158 -0.627 1.307) 1.855 16.164 ( 10.059 -10.982 9.667) 17.755 16.415 ( 26.920 -27.518 -15.127) 41.362 17.125 ( -10.128 -5.458 -14.175) 18.257 19.971 ( 5.699 -0.879 5.306) 7.836 20.661 ( -10.629 -5.610 -19.009) 22.490 22.444 ( -0.144 4.975 15.702) 16.472 22.991 ( 14.508 -3.600 2.448) 15.147 ======================= Grid point 321 (163/246) ======================= q-point: (-0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -12.894 4.971 9.909) 17.004 2.177 ( -25.998 -23.334 17.099) 38.894 2.586 ( -3.005 -3.392 1.826) 4.885 2.829 ( -3.756 -4.166 -0.086) 5.610 2.943 ( 3.396 -3.589 -4.031) 6.377 4.008 ( -8.516 -11.690 9.385) 17.241 4.241 ( 2.925 -2.511 -2.297) 4.488 4.893 ( -12.495 14.708 7.578) 20.734 5.341 ( -6.132 4.480 9.424) 12.103 5.699 ( 12.923 -18.777 -13.346) 26.414 6.729 ( -12.330 -15.559 8.032) 21.415 7.059 ( -9.046 11.025 6.093) 15.509 7.478 ( 0.346 -12.622 -1.346) 12.698 7.705 ( 3.288 7.992 -1.588) 8.786 7.997 ( -11.907 -0.851 7.361) 14.024 8.265 ( -2.969 -3.304 1.898) 4.831 8.940 ( 0.469 2.642 0.567) 2.743 9.424 ( 2.131 5.747 -1.561) 6.325 9.940 ( -9.690 -0.773 1.170) 9.791 10.118 ( -10.152 10.241 14.942) 20.765 10.644 ( 7.638 -9.470 -4.890) 13.112 11.081 ( 10.869 -4.406 -9.793) 15.279 11.942 ( 1.912 2.184 4.173) 5.083 12.573 ( 6.071 9.453 -7.799) 13.677 13.880 ( -4.965 -1.342 -3.414) 6.174 14.012 ( -14.673 -16.552 17.716) 28.339 14.271 ( 0.096 0.866 -3.810) 3.908 14.907 ( -3.291 0.855 4.957) 6.011 15.157 ( -0.868 -1.724 -0.124) 1.934 16.264 ( -6.779 -11.432 -0.744) 13.312 16.816 ( 22.960 -23.321 -7.773) 33.637 16.957 ( 5.629 -11.568 -8.197) 15.254 20.067 ( -1.681 -4.321 2.067) 5.076 20.476 ( 3.730 -0.931 -3.364) 5.108 22.493 ( -3.725 6.279 3.904) 8.279 23.187 ( 6.950 -4.489 -4.948) 9.640 ======================= Grid point 322 (164/246) ======================= q-point: (-0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -17.297 -11.365 16.659) 26.568 2.222 ( 4.672 5.110 32.442) 33.172 2.470 ( -7.019 -3.862 -2.892) 8.517 2.876 ( 5.565 0.338 8.000) 9.751 3.167 ( 14.246 -3.593 15.448) 21.319 3.948 ( -6.218 -9.764 10.051) 15.331 4.248 ( -8.000 14.399 17.796) 24.249 4.727 ( -11.844 17.163 10.778) 23.474 5.334 ( -2.625 1.204 9.347) 9.783 5.928 ( 19.891 -21.387 -11.010) 31.213 6.370 ( -16.453 -8.057 -9.218) 20.508 6.951 ( -9.167 11.086 8.401) 16.659 7.527 ( -1.951 -7.956 7.549) 11.139 7.623 ( -12.263 0.487 0.880) 12.304 7.865 ( -2.664 -3.467 -1.702) 4.692 8.353 ( 3.341 -7.217 16.389) 18.216 8.836 ( -10.334 3.779 -9.480) 14.524 8.997 ( -31.576 11.825 -17.420) 37.952 9.529 ( -3.508 2.375 -14.706) 15.304 10.673 ( 13.329 -0.410 6.577) 14.869 10.769 ( 15.637 -8.047 23.703) 29.515 11.497 ( 29.106 -2.366 15.460) 33.042 12.062 ( 7.050 4.175 4.652) 9.422 12.557 ( -0.012 11.079 -9.788) 14.783 13.591 ( -15.947 -9.979 -8.536) 20.658 13.905 ( -1.670 -2.851 -0.145) 3.307 14.367 ( 3.273 0.576 6.190) 7.026 14.874 ( -2.406 -1.783 1.414) 3.311 15.131 ( -1.216 -3.669 -1.918) 4.315 15.966 ( -15.361 -9.476 -11.607) 21.459 17.035 ( -0.520 -7.343 14.744) 16.480 17.214 ( 24.302 -31.110 -17.403) 43.143 20.027 ( 1.028 1.060 -1.491) 2.099 20.668 ( 8.295 -1.288 13.633) 16.010 22.332 ( -11.685 8.163 -8.852) 16.779 23.183 ( -0.146 -4.656 -11.739) 12.630 ======================= Grid point 323 (165/246) ======================= q-point: (-0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -6.480 -0.982 13.968) 15.429 2.265 ( -4.186 -6.896 -6.437) 10.321 2.666 ( 5.460 12.112 29.656) 32.496 3.147 ( 12.265 2.860 14.335) 19.082 3.640 ( 12.233 -2.761 19.798) 23.436 3.976 ( 4.643 -7.278 17.468) 19.485 4.296 ( -4.193 17.570 29.769) 34.821 4.628 ( -8.644 15.313 14.686) 22.910 5.334 ( -5.956 -1.149 7.636) 9.752 6.104 ( 4.197 -7.958 -12.094) 15.074 6.281 ( 16.074 -7.541 1.381) 17.808 6.861 ( -7.096 9.741 8.475) 14.733 7.325 ( -18.234 0.730 5.613) 19.092 7.510 ( -3.305 -5.292 -1.246) 6.362 7.811 ( -0.686 -5.294 -5.218) 7.465 8.123 ( -33.393 19.184 -3.306) 38.653 8.481 ( -10.030 1.495 -6.865) 12.246 8.794 ( 7.389 -8.890 9.203) 14.776 9.287 ( -8.270 2.537 -19.660) 21.479 10.708 ( 2.533 -6.870 -11.034) 13.243 11.473 ( 26.375 -7.714 21.765) 35.055 12.136 ( 12.693 7.031 1.555) 14.594 12.362 ( 11.568 9.079 6.956) 16.268 12.599 ( 23.935 -1.976 17.732) 29.853 13.238 ( -11.402 -8.879 -12.651) 19.207 13.897 ( 1.096 -1.561 -1.374) 2.350 14.435 ( -0.537 0.443 2.441) 2.538 14.844 ( -1.371 -3.491 -1.348) 3.986 15.084 ( -0.849 -4.082 -3.516) 5.454 15.568 ( -14.343 -10.482 -14.373) 22.851 17.047 ( -10.843 -14.750 14.627) 23.432 17.493 ( 17.937 -25.234 -14.599) 34.229 20.135 ( 9.337 6.621 3.924) 12.100 20.945 ( 6.023 -0.590 19.716) 20.624 21.907 ( -21.382 11.666 -15.983) 29.133 23.013 ( -5.191 -4.747 -16.634) 18.060 ======================= Grid point 324 (166/246) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 4.090 2.368 -2.235) 5.228 2.122 ( 8.467 12.382 -3.944) 15.510 3.132 ( -7.824 -19.012 25.004) 32.371 3.200 ( 0.735 13.968 15.138) 20.611 3.976 ( 13.497 12.230 -4.822) 18.841 4.391 ( 12.855 -3.774 6.167) 14.749 4.831 ( 5.345 8.174 23.803) 25.729 4.905 ( -2.582 12.224 11.694) 17.113 5.343 ( 9.504 3.824 10.135) 14.411 6.085 ( 21.767 -11.275 -1.787) 24.579 6.623 ( 9.137 2.339 8.331) 12.585 6.894 ( -9.212 3.191 1.031) 9.804 7.139 ( -9.029 2.586 7.488) 12.011 7.368 ( -1.721 -4.219 5.797) 7.373 7.663 ( -0.455 -1.966 -4.456) 4.892 8.023 ( -14.290 11.207 -19.699) 26.793 8.211 ( -16.251 16.673 -4.232) 23.664 8.906 ( -2.690 -5.811 0.032) 6.404 9.006 ( 1.193 -2.151 16.354) 16.538 10.425 ( -4.035 -11.844 -12.181) 17.463 11.922 ( 16.690 -1.171 9.473) 19.227 12.388 ( 2.040 6.109 -7.146) 9.620 12.552 ( 4.134 2.367 -7.912) 9.236 12.709 ( 3.659 -14.873 5.747) 16.359 13.593 ( 25.461 9.326 6.921) 27.984 13.933 ( 3.995 -0.212 3.541) 5.343 14.304 ( -7.386 -3.053 -8.753) 11.852 14.774 ( -12.434 -0.325 -6.393) 13.985 15.012 ( 4.341 -4.463 -3.302) 7.048 15.033 ( -4.801 1.745 -4.614) 6.883 16.339 ( -24.590 -27.944 13.524) 39.604 17.179 ( 18.640 -27.933 -12.993) 36.007 20.644 ( 16.609 10.615 8.700) 21.546 21.172 ( 2.522 0.361 12.866) 13.116 21.644 ( -16.368 11.765 -10.720) 22.831 22.595 ( -9.603 -8.500 -18.128) 22.206 ======================= Grid point 325 (167/246) ======================= q-point: ( 0.11 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 8.999 -8.892 -4.702) 13.496 2.302 ( 11.279 15.376 -5.112) 19.743 3.114 ( -10.583 -17.791 17.102) 26.852 3.215 ( -9.586 19.898 11.435) 24.871 4.188 ( 11.641 8.120 -3.763) 14.684 4.524 ( 4.963 -13.800 -5.777) 15.763 5.020 ( 0.241 10.706 10.563) 15.042 5.058 ( 8.130 3.972 8.618) 12.496 5.765 ( 14.287 6.762 18.438) 24.286 6.381 ( 7.827 -5.472 -9.959) 13.798 6.497 ( -17.507 -0.301 -6.353) 18.626 6.917 ( 0.606 -2.853 8.548) 9.031 7.110 ( 3.737 2.623 0.775) 4.631 7.333 ( -5.572 4.854 8.478) 11.246 7.676 ( -2.431 -0.116 -7.550) 7.933 7.711 ( 5.932 3.792 -5.894) 9.182 8.001 ( -5.757 18.756 6.675) 20.724 8.862 ( 10.592 3.181 -4.112) 11.799 9.329 ( 2.302 -2.212 31.462) 31.623 10.173 ( -10.072 -12.895 -16.866) 23.499 12.123 ( 3.557 0.918 -1.315) 3.901 12.361 ( 0.814 0.166 -8.536) 8.577 12.608 ( 4.808 -0.684 -4.262) 6.462 12.724 ( 2.634 -4.762 -7.330) 9.129 13.888 ( -11.002 -8.361 -9.226) 16.615 14.076 ( 11.429 -2.789 7.854) 14.146 14.217 ( -8.612 -4.622 -0.072) 9.775 14.405 ( -0.763 -7.481 -1.528) 7.674 15.009 ( 3.088 6.463 -1.438) 7.306 15.161 ( 11.757 2.652 -2.826) 12.380 15.956 ( -25.265 -28.856 12.277) 40.270 17.376 ( 11.247 -22.783 -9.537) 27.138 20.943 ( -16.961 13.763 -12.757) 25.295 21.069 ( 17.231 8.772 9.694) 21.629 21.611 ( 3.068 2.724 19.427) 19.855 22.241 ( -11.420 -9.303 -19.324) 24.298 ======================= Grid point 326 (168/246) ======================= q-point: ( 0.22 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 14.599 -17.082 -8.241) 23.934 2.431 ( 4.213 4.936 -1.890) 6.759 3.006 ( -14.735 5.050 10.609) 18.846 3.077 ( -6.471 5.086 3.401) 8.906 4.305 ( 2.713 -1.359 -5.458) 6.245 4.567 ( 4.820 -16.000 -7.912) 18.489 4.992 ( -10.056 12.338 3.593) 16.317 5.291 ( 10.297 0.420 -2.631) 10.636 5.884 ( -13.190 -2.899 -15.846) 20.820 5.994 ( -12.081 1.790 -9.054) 15.203 6.243 ( -7.375 -6.050 -20.159) 22.302 6.998 ( 2.962 -9.531 8.771) 13.287 7.234 ( 7.547 8.134 3.443) 11.618 7.385 ( 0.915 5.468 10.445) 11.825 7.773 ( 9.282 9.665 15.639) 20.595 7.933 ( 14.283 7.960 2.799) 16.590 8.102 ( 5.579 5.990 19.932) 21.547 9.203 ( 23.054 4.136 -1.392) 23.463 9.534 ( -5.772 2.595 27.570) 28.288 9.798 ( -12.741 -10.801 -18.644) 25.032 12.094 ( -4.527 3.291 -4.721) 7.322 12.282 ( -1.323 -1.612 -10.379) 10.586 12.579 ( -1.137 -2.257 -10.146) 10.456 12.787 ( 6.166 -1.174 -1.585) 6.473 13.429 ( -18.159 -16.716 -24.493) 34.771 13.760 ( -19.332 -13.441 -6.693) 24.479 14.380 ( 9.298 -0.366 8.131) 12.357 14.643 ( 8.302 -7.097 11.214) 15.654 15.104 ( 7.787 -2.772 -2.223) 8.559 15.406 ( 12.677 8.117 3.666) 15.493 15.597 ( -20.347 -23.321 9.116) 32.264 17.456 ( 3.603 -19.078 -6.124) 20.358 20.499 ( -15.231 15.234 -14.686) 26.072 21.467 ( 11.519 -0.019 3.622) 12.075 21.843 ( 2.596 1.261 18.426) 18.651 21.913 ( -4.059 -5.349 -7.285) 9.908 ======================= Grid point 327 (169/246) ======================= q-point: ( 0.33 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -7.672 -9.889 5.077) 13.507 2.556 ( 17.711 -23.148 -11.222) 31.232 2.762 ( -15.942 11.283 8.372) 21.250 3.049 ( 3.785 3.461 -8.360) 9.808 4.173 ( -8.744 -7.870 -12.826) 17.405 4.391 ( -20.179 -3.494 -16.837) 26.512 4.729 ( -12.619 -8.835 -13.702) 20.616 5.076 ( -11.066 -11.685 -31.653) 35.509 5.634 ( 0.833 2.134 5.413) 5.877 5.884 ( 2.681 2.751 -10.082) 10.789 5.991 ( -5.037 2.151 -5.224) 7.569 7.154 ( 5.540 -13.476 6.625) 16.006 7.420 ( 5.974 8.828 6.588) 12.531 7.479 ( 1.624 7.110 7.446) 10.422 8.056 ( 7.214 8.497 10.017) 14.986 8.307 ( 12.489 9.429 22.448) 27.364 8.470 ( 14.464 0.888 17.507) 22.726 9.293 ( -9.792 -13.027 -21.057) 26.626 9.581 ( -9.533 5.856 24.463) 26.900 9.733 ( 18.359 5.773 0.393) 19.250 11.888 ( -12.405 2.798 -8.417) 15.250 12.089 ( -4.302 0.076 -25.681) 26.039 12.387 ( -13.990 -3.719 -14.412) 20.427 12.626 ( -11.453 -0.985 -12.036) 16.644 13.229 ( 6.403 -16.520 1.584) 17.789 13.508 ( -1.371 -18.540 4.284) 19.078 14.549 ( 3.092 1.128 6.032) 6.871 14.860 ( 7.147 -8.790 4.020) 12.021 15.207 ( -0.013 -9.566 -1.505) 9.684 15.350 ( -4.984 -15.986 1.629) 16.824 15.695 ( 10.247 10.144 10.982) 18.125 17.413 ( -3.797 -16.015 -4.515) 17.067 20.157 ( -8.482 12.088 -13.156) 19.778 21.288 ( -12.564 -12.247 -20.808) 27.218 22.102 ( 3.036 1.795 22.994) 23.263 22.127 ( 18.141 0.579 10.917) 21.181 ======================= Grid point 328 (170/246) ======================= q-point: (-0.56 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -14.282 -17.798 8.207) 24.250 2.583 ( -8.912 5.055 7.988) 12.992 2.781 ( 12.796 -20.108 -11.624) 26.518 3.025 ( 1.373 2.625 -13.823) 14.137 3.656 ( -31.047 -3.404 -30.492) 43.650 3.816 ( -8.047 -10.568 -28.436) 31.386 4.202 ( -20.462 -14.850 -10.919) 27.540 4.913 ( 8.242 -19.956 -22.654) 31.295 5.640 ( -7.475 8.355 8.742) 14.217 5.824 ( -0.296 4.855 -6.103) 7.804 6.082 ( 7.795 1.807 11.022) 13.620 7.246 ( -0.390 -19.667 -0.733) 19.685 7.509 ( -2.037 9.766 8.301) 12.978 7.605 ( 6.283 7.035 3.293) 9.991 8.208 ( 0.428 5.953 9.066) 10.855 8.605 ( -2.385 1.634 11.852) 12.200 8.791 ( 6.485 0.691 2.222) 6.890 9.075 ( 4.933 -1.306 3.372) 6.116 9.599 ( -6.996 7.814 24.869) 26.990 10.068 ( 15.391 -2.294 -2.184) 15.713 11.407 ( -22.429 -3.403 -22.980) 32.291 11.680 ( -11.909 -4.089 -41.286) 43.164 12.024 ( -7.747 2.431 -1.162) 8.202 12.497 ( 1.449 -1.042 -6.054) 6.311 13.373 ( 0.609 -14.277 24.077) 27.998 13.755 ( 14.607 -9.302 5.708) 18.234 14.584 ( -4.309 -2.343 1.737) 5.203 14.939 ( 1.916 -9.053 -3.032) 9.738 15.155 ( -1.045 -1.015 6.274) 6.441 15.402 ( 10.618 -18.353 -14.150) 25.491 15.970 ( 6.342 5.220 17.506) 19.337 17.239 ( -9.757 -12.660 -5.928) 17.048 19.978 ( -0.890 6.431 -8.861) 10.985 20.864 ( -12.284 -11.812 -22.378) 28.128 22.333 ( 3.020 1.861 19.710) 20.026 22.554 ( 16.874 -3.388 8.998) 19.421 ======================= Grid point 329 (171/246) ======================= q-point: (-0.44 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -15.795 -18.336 8.197) 25.551 2.537 ( -3.579 -0.045 6.383) 7.318 2.615 ( -20.903 0.651 -14.489) 25.442 2.871 ( -5.645 -3.474 -10.138) 12.113 3.009 ( -8.200 -6.093 -22.687) 24.881 3.658 ( 18.223 -26.757 -26.664) 41.940 3.913 ( -7.246 -8.737 1.028) 11.397 4.914 ( 10.481 -18.698 -21.550) 30.396 5.514 ( -12.307 12.109 9.128) 19.530 5.778 ( -3.940 9.854 2.822) 10.981 6.347 ( 6.306 -7.490 16.548) 19.228 7.119 ( -6.263 -21.601 -10.572) 24.852 7.484 ( -6.989 8.701 6.810) 13.074 7.741 ( 4.933 4.512 2.215) 7.042 8.207 ( -8.630 4.613 10.252) 14.172 8.408 ( -11.891 -1.532 -5.209) 13.072 8.953 ( 2.538 5.612 12.179) 13.648 9.312 ( 8.878 -0.689 6.760) 11.180 9.757 ( 2.933 6.986 24.367) 25.518 10.288 ( 10.402 -7.205 -3.793) 13.209 10.802 ( -20.731 -1.434 -22.628) 30.722 11.146 ( -9.331 -5.358 -31.378) 33.172 11.970 ( -0.792 4.743 3.638) 6.030 12.550 ( 9.167 -0.509 -7.000) 11.546 13.633 ( 4.079 -9.581 24.900) 26.990 13.972 ( 1.951 0.984 4.607) 5.099 14.410 ( -8.200 -2.841 -8.410) 12.084 14.991 ( 0.953 3.228 5.957) 6.842 15.194 ( -2.124 2.796 5.204) 6.278 15.551 ( 22.906 -34.328 -23.766) 47.623 16.193 ( 0.818 -2.614 18.539) 18.740 16.975 ( -10.869 -9.672 -6.949) 16.124 19.968 ( 3.460 0.823 -2.289) 4.229 20.511 ( -5.660 -8.674 -19.376) 21.970 22.514 ( 1.925 2.105 12.476) 12.798 22.887 ( 12.225 -6.200 3.399) 14.123 ======================= Grid point 330 (172/246) ======================= q-point: (-0.33 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -7.860 -7.405 4.827) 11.828 2.219 ( -8.675 7.851 5.699) 13.014 2.516 ( -4.449 -3.247 2.617) 6.098 2.741 ( -2.312 -4.813 1.178) 5.468 2.859 ( 3.045 -4.602 -3.219) 6.389 3.863 ( 0.205 -1.678 -0.295) 1.716 3.960 ( 25.535 -24.377 -11.841) 37.236 4.983 ( 12.576 -14.601 -17.241) 25.857 5.333 ( -13.877 13.030 9.204) 21.144 5.717 ( -5.379 9.336 6.024) 12.345 6.445 ( -8.609 -10.873 5.008) 14.745 7.004 ( 4.072 -19.912 -2.278) 20.451 7.364 ( -10.345 7.985 6.338) 14.524 7.802 ( -0.542 1.836 0.845) 2.092 8.036 ( -16.571 2.936 9.350) 19.251 8.202 ( -8.171 -2.537 5.367) 10.099 9.025 ( -1.964 5.144 2.404) 6.008 9.474 ( 4.384 -1.141 0.159) 4.533 9.966 ( -7.660 3.119 -5.533) 9.951 10.300 ( -3.655 5.492 10.469) 12.374 10.461 ( 6.199 -5.670 -2.417) 8.742 10.969 ( 8.855 -6.292 -7.290) 13.082 12.034 ( 4.852 6.587 2.397) 8.525 12.689 ( 10.538 1.199 -9.885) 14.498 13.790 ( -5.494 -2.212 2.828) 6.562 13.929 ( -3.333 3.731 0.483) 5.027 14.279 ( 0.947 -0.454 -0.290) 1.089 15.002 ( -5.514 7.947 6.975) 11.925 15.149 ( -4.112 1.607 0.724) 4.474 15.867 ( 20.221 -32.613 -14.809) 41.132 16.243 ( -0.768 -17.122 -0.460) 17.146 16.804 ( -4.945 -10.096 5.221) 12.395 20.016 ( 2.322 -0.557 -1.492) 2.816 20.411 ( 6.671 -5.075 -5.900) 10.251 22.580 ( -1.799 2.737 2.155) 3.921 23.061 ( 5.833 -7.480 -3.612) 10.150 ======================= Grid point 331 (173/246) ======================= q-point: (-0.22 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 2.369 6.978 0.963) 7.432 2.335 ( -3.418 1.160 6.063) 7.057 2.469 ( 6.158 7.265 20.603) 22.698 2.818 ( 3.273 -5.968 13.618) 15.224 3.092 ( 15.641 -3.612 16.223) 22.823 3.889 ( 4.138 4.594 -3.605) 7.157 4.358 ( 15.870 -7.533 7.122) 18.956 5.078 ( 7.290 -0.810 -10.268) 12.619 5.147 ( -10.021 2.976 4.864) 11.530 5.702 ( 0.383 -2.536 1.857) 3.166 6.254 ( -5.349 -2.351 -2.609) 6.399 7.125 ( 1.349 -11.187 6.118) 12.822 7.223 ( -7.619 0.401 5.746) 9.552 7.661 ( -16.816 2.018 6.986) 18.321 7.864 ( -5.509 0.249 2.083) 5.894 8.196 ( -1.275 -7.458 17.299) 18.882 8.896 ( -8.358 3.944 -10.233) 13.789 9.344 ( -24.837 17.959 -10.872) 32.521 9.509 ( -6.227 -3.195 -13.350) 15.073 10.503 ( 5.727 -11.321 -3.789) 13.241 10.779 ( 19.152 4.690 23.662) 30.801 11.395 ( 28.004 -7.484 22.415) 36.643 12.182 ( 8.984 7.441 0.128) 11.666 12.737 ( 3.253 5.231 -13.008) 14.393 13.552 ( -6.482 5.881 -19.504) 21.377 13.894 ( -1.311 1.570 -0.965) 2.261 14.385 ( 3.834 1.209 7.148) 8.201 14.917 ( -6.652 5.955 3.608) 9.629 15.072 ( -3.209 -1.220 -1.581) 3.780 15.765 ( -16.287 -9.678 -5.329) 19.680 16.481 ( 28.437 -38.140 -17.704) 50.761 16.781 ( -8.777 -16.855 14.605) 23.967 20.086 ( 7.239 4.477 -0.257) 8.516 20.610 ( 10.926 -4.288 8.350) 14.405 22.456 ( -8.910 4.545 -8.505) 13.129 23.052 ( -0.812 -7.783 -10.180) 12.840 ======================= Grid point 332 (174/246) ======================= q-point: (-0.11 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 8.310 14.335 -0.432) 16.575 2.176 ( -6.919 -1.298 -3.161) 7.717 2.914 ( 10.613 9.115 25.345) 28.950 3.018 ( 1.119 -11.480 21.659) 24.539 3.642 ( 20.622 2.560 19.892) 28.767 4.004 ( 12.767 9.298 0.622) 15.806 4.610 ( 0.320 10.415 19.557) 22.159 4.969 ( -11.355 14.574 10.372) 21.187 5.202 ( 8.449 -9.259 -5.505) 13.690 5.763 ( 11.995 -14.994 -7.658) 20.672 6.335 ( 10.642 4.715 6.065) 13.125 7.054 ( -9.447 7.299 5.978) 13.352 7.221 ( -1.114 -12.475 2.854) 12.846 7.414 ( -12.958 0.983 8.871) 15.734 7.760 ( -5.865 -0.877 -1.130) 6.037 8.360 ( -5.064 -0.750 15.081) 15.926 8.565 ( -10.470 -1.187 -19.815) 22.442 8.807 ( -18.029 21.469 5.064) 28.489 9.266 ( -9.588 -4.398 -15.585) 18.820 10.525 ( 1.803 -11.092 -8.396) 14.028 11.384 ( 24.254 -0.305 19.500) 31.123 12.211 ( 27.655 -8.913 26.135) 39.080 12.358 ( 8.354 0.484 5.518) 10.024 12.628 ( -1.991 7.220 -12.692) 14.737 13.341 ( 5.217 14.097 -22.152) 26.770 13.882 ( 1.178 0.028 -1.328) 1.775 14.448 ( -1.835 1.316 -0.557) 2.326 14.849 ( -2.036 4.495 2.420) 5.496 15.012 ( -0.919 -2.756 -3.142) 4.279 15.366 ( -18.184 -8.271 -8.192) 21.591 16.643 ( -18.095 -23.570 14.730) 33.165 16.873 ( 25.188 -33.845 -15.708) 45.018 20.302 ( 13.102 9.110 4.822) 16.670 20.910 ( 9.628 -2.973 15.287) 18.310 22.108 ( -16.757 8.432 -15.216) 24.154 22.882 ( -6.092 -7.928 -15.082) 18.095 ======================= Grid point 333 (175/246) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -4.471 5.755 3.008) 7.884 2.430 ( 3.828 5.682 0.713) 6.888 2.852 ( 2.939 -0.926 10.872) 11.300 3.339 ( 11.156 -3.057 8.447) 14.323 4.185 ( 6.194 9.863 0.357) 11.652 4.409 ( 3.436 3.489 -6.809) 8.387 4.949 ( 8.770 3.137 13.416) 16.332 5.029 ( 3.163 -0.465 11.170) 11.618 5.486 ( 15.090 9.729 9.602) 20.360 5.866 ( 21.282 -9.142 6.513) 24.060 6.673 ( 6.029 3.267 5.145) 8.573 6.900 ( -7.387 -3.292 0.307) 8.093 7.127 ( -5.661 -1.870 4.799) 7.653 7.244 ( -1.626 -6.620 2.028) 7.112 7.767 ( -3.033 10.706 4.556) 12.024 8.150 ( -14.699 1.113 -17.622) 22.974 8.499 ( 1.906 6.028 12.599) 14.096 8.809 ( -5.852 -5.808 -6.934) 10.773 9.108 ( -7.802 18.103 11.574) 22.859 10.097 ( -6.997 -20.051 -10.014) 23.479 11.964 ( 15.701 5.057 11.840) 20.305 12.343 ( 5.749 -11.486 8.722) 15.526 12.559 ( 5.575 3.134 -7.299) 9.704 12.614 ( 1.891 1.756 -11.902) 12.179 13.778 ( 11.296 7.212 -0.370) 13.407 13.926 ( 4.048 -0.818 2.534) 4.845 14.304 ( -11.962 3.549 -7.040) 14.327 14.631 ( -18.323 -9.970 -8.917) 22.686 15.038 ( -6.200 6.190 1.710) 8.926 15.265 ( 12.411 17.159 -4.285) 21.606 15.782 ( -21.511 -22.760 9.982) 32.869 16.543 ( 23.876 -32.626 -13.235) 42.540 20.858 ( 15.616 9.698 9.409) 20.650 21.142 ( 9.028 -3.351 12.976) 16.159 21.889 ( -14.961 12.045 -14.445) 24.033 22.390 ( -11.075 -11.188 -16.889) 23.088 ======================= Grid point 334 (176/246) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -0.831 1.613 -0.614) 1.916 2.428 ( -6.735 -7.747 6.502) 12.151 3.015 ( 9.441 12.453 -1.838) 15.735 3.546 ( 1.736 7.497 9.001) 11.842 4.163 ( -1.418 -6.744 -12.449) 14.229 4.353 ( -1.083 -2.813 -5.538) 6.305 5.176 ( 7.999 6.230 7.779) 12.779 5.201 ( 4.943 6.326 11.118) 13.713 5.897 ( 11.722 6.154 8.129) 15.536 6.218 ( 8.098 -9.265 -8.440) 14.921 6.519 ( -17.898 2.729 -4.714) 18.708 6.787 ( -7.894 -8.336 3.310) 11.948 7.135 ( 8.860 1.838 -0.685) 9.074 7.347 ( 5.002 -5.186 4.611) 8.554 7.727 ( 0.172 7.748 1.480) 7.890 7.844 ( -3.969 4.931 1.265) 6.455 8.464 ( -5.600 23.031 -3.506) 23.960 8.892 ( 12.851 -0.208 5.028) 13.801 9.296 ( 5.128 0.153 28.525) 28.982 9.831 ( -10.571 -19.572 -11.926) 25.240 12.172 ( 2.598 3.929 0.268) 4.718 12.347 ( -1.667 -2.069 -5.648) 6.242 12.588 ( 4.669 -0.701 -6.514) 8.045 12.639 ( 4.636 -3.338 -8.675) 10.387 13.773 ( -17.892 -1.892 -9.711) 20.445 13.979 ( -10.628 -7.553 -2.236) 13.229 14.158 ( -1.782 0.375 4.474) 4.831 14.286 ( 3.510 -4.398 5.761) 8.053 14.984 ( -0.652 -0.652 0.124) 0.930 15.333 ( -10.790 -13.035 6.124) 17.995 15.633 ( 7.867 17.712 -2.592) 19.553 16.831 ( 15.639 -29.315 -9.770) 34.632 21.195 ( -4.303 9.545 -4.311) 11.323 21.234 ( 8.247 6.837 4.827) 11.750 21.667 ( 0.432 3.429 8.777) 9.433 22.025 ( -11.960 -11.264 -16.650) 23.391 ======================= Grid point 335 (177/246) ======================= q-point: ( 0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 3.671 -6.672 -5.868) 9.614 2.299 ( -11.733 -13.488 6.864) 19.149 3.145 ( 7.465 17.247 -9.446) 21.034 3.483 ( -12.774 20.993 3.127) 24.772 4.061 ( 2.525 -20.343 -14.584) 25.158 4.259 ( -5.045 -14.030 -3.374) 15.286 5.269 ( -9.682 13.335 1.831) 16.580 5.403 ( 9.846 9.683 -4.413) 14.497 5.778 ( -18.742 -7.012 -21.461) 29.343 5.955 ( -5.802 -8.955 -28.248) 30.196 6.228 ( -6.804 7.621 0.780) 10.246 6.747 ( -0.139 -13.691 6.153) 15.010 7.366 ( 10.782 5.156 5.577) 13.188 7.476 ( 3.223 1.864 7.783) 8.628 7.939 ( 12.981 6.390 16.639) 22.050 8.041 ( 12.096 2.516 17.289) 21.249 8.365 ( -1.552 18.285 0.057) 18.351 9.147 ( 6.496 -11.470 -9.240) 16.098 9.573 ( 0.801 0.933 19.665) 19.703 9.627 ( 0.443 -3.459 3.874) 5.212 12.173 ( -2.702 4.322 -0.551) 5.126 12.267 ( -0.577 0.084 -6.977) 7.002 12.533 ( -1.630 -1.818 -13.810) 14.025 12.696 ( 9.447 -7.820 -8.312) 14.815 13.182 ( -27.837 -5.001 -21.111) 35.293 13.454 ( -26.851 -14.708 -4.959) 31.014 14.388 ( 9.660 1.153 9.238) 13.416 14.516 ( 7.266 -5.159 11.321) 14.407 15.011 ( 3.149 -3.211 1.035) 4.615 15.167 ( -8.867 -13.551 6.281) 17.369 15.833 ( 10.962 25.234 0.193) 27.513 16.985 ( 6.777 -26.078 -5.188) 27.439 20.819 ( -14.866 15.428 -17.199) 27.474 21.373 ( -5.287 -9.071 -11.579) 15.630 21.833 ( 5.951 -0.116 4.736) 7.606 21.874 ( 5.161 -0.465 17.298) 18.058 ======================= Grid point 336 (178/246) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -12.151 -14.527 4.119) 19.381 2.126 ( 9.728 -16.529 -10.682) 21.953 3.034 ( -15.195 15.693 -0.892) 21.862 3.291 ( 0.884 15.029 -18.246) 23.655 3.907 ( -11.904 -15.917 -1.489) 19.932 4.153 ( -1.058 -17.036 -15.650) 23.157 4.718 ( -27.870 4.630 -31.612) 42.397 4.910 ( -21.465 -4.921 -45.615) 50.652 5.707 ( 5.138 4.523 8.204) 10.685 5.867 ( 4.953 -2.347 -5.040) 7.445 6.166 ( -1.393 12.079 1.779) 12.288 6.819 ( 2.256 -17.558 2.813) 17.925 7.575 ( 5.486 5.273 6.047) 9.720 7.594 ( 2.688 3.971 7.946) 9.281 8.252 ( 5.095 9.831 7.679) 13.475 8.463 ( 15.340 -0.259 15.572) 21.860 8.480 ( 6.817 6.749 17.890) 20.300 8.989 ( -4.429 -15.577 -14.442) 21.698 9.706 ( -3.651 5.539 17.343) 18.569 9.810 ( 10.151 1.395 4.218) 11.081 11.965 ( -16.671 4.996 -13.692) 22.144 12.138 ( -3.192 4.637 -32.110) 32.600 12.294 ( -13.927 -5.189 -7.637) 16.709 12.554 ( -11.116 -6.977 -17.384) 21.782 12.915 ( 9.479 -10.602 8.519) 16.578 13.115 ( -2.000 -16.944 7.408) 18.600 14.569 ( 2.996 0.571 4.012) 5.039 14.677 ( 3.639 -6.959 0.878) 7.902 15.095 ( 0.052 -2.374 6.672) 7.082 15.146 ( 4.314 -4.871 3.722) 7.496 16.025 ( 5.638 20.721 7.756) 22.832 17.011 ( -1.326 -22.465 -1.056) 22.529 20.423 ( -11.193 13.575 -17.633) 24.910 21.012 ( -13.152 -14.130 -21.593) 28.964 22.124 ( 6.126 0.546 17.670) 18.709 22.134 ( 12.810 0.058 12.814) 18.119 ======================= Grid point 337 (179/246) ======================= q-point: (-0.56 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -9.194 -10.817 0.015) 14.197 2.290 ( 17.137 -24.090 -13.384) 32.452 2.733 ( -13.581 9.084 1.149) 16.380 3.073 ( -8.913 -0.748 -18.458) 20.511 3.618 ( -22.145 -2.788 -21.113) 30.723 3.680 ( -16.299 -1.499 -35.088) 38.718 4.010 ( -14.514 -2.296 -22.035) 26.485 4.476 ( 6.894 -20.458 -28.091) 35.429 5.814 ( -1.738 7.575 8.524) 11.536 5.916 ( 0.882 3.332 1.581) 3.792 6.198 ( 2.217 8.728 3.409) 9.628 6.820 ( -2.405 -20.391 -4.007) 20.919 7.664 ( -1.252 5.373 7.618) 9.406 7.708 ( 3.182 3.073 5.041) 6.707 8.340 ( -1.040 6.591 6.306) 9.181 8.572 ( -6.433 -3.756 0.603) 7.474 8.834 ( 9.300 2.758 12.850) 16.100 9.003 ( 9.183 -4.952 7.701) 12.968 9.763 ( -2.205 7.446 15.079) 16.961 9.998 ( 7.987 -4.329 0.165) 9.086 11.375 ( -22.358 0.685 -27.015) 35.073 11.567 ( -15.864 -6.380 -41.066) 44.483 12.120 ( -3.806 6.657 -0.162) 7.670 12.426 ( 0.985 -5.637 -5.171) 7.712 13.156 ( 8.202 -4.890 22.353) 24.307 13.480 ( 23.721 -15.796 6.672) 29.270 14.554 ( -4.045 -0.642 -4.477) 6.068 14.699 ( 4.250 -10.258 -10.703) 15.423 15.173 ( 1.518 3.108 8.486) 9.163 15.267 ( 3.421 -0.871 3.232) 4.787 16.164 ( -1.029 13.687 15.118) 20.419 16.918 ( -8.372 -18.092 1.005) 19.961 20.136 ( -4.550 8.906 -15.314) 18.290 20.604 ( -10.035 -12.859 -22.241) 27.581 22.364 ( 5.249 1.546 15.436) 16.377 22.477 ( 12.637 -3.803 9.723) 16.392 ======================= Grid point 338 (180/246) ======================= q-point: (-0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 2.194 0.843 -5.508) 5.988 2.505 ( 5.768 -11.096 -5.519) 13.669 2.578 ( -2.425 -2.135 -0.844) 3.339 2.750 ( -8.693 -7.298 -11.029) 15.826 2.914 ( -14.940 -0.436 -26.848) 30.728 3.186 ( -2.555 -15.219 -35.363) 38.583 3.878 ( 4.659 5.222 -6.997) 9.897 4.489 ( 13.623 -20.620 -22.271) 33.269 5.777 ( -8.486 11.348 8.502) 16.525 5.923 ( -3.134 3.793 4.571) 6.716 6.283 ( 1.702 1.090 6.839) 7.131 6.678 ( -5.354 -19.094 -9.207) 21.864 7.649 ( -6.097 6.827 6.795) 11.400 7.789 ( 0.937 0.352 4.258) 4.375 8.295 ( -10.156 3.658 8.758) 13.900 8.382 ( -12.514 -1.097 0.854) 12.591 9.052 ( 4.542 4.122 9.526) 11.330 9.244 ( 8.712 -5.109 4.853) 11.206 9.897 ( 4.511 6.379 12.958) 15.131 10.143 ( 8.372 -6.496 -2.453) 10.877 10.810 ( -15.691 2.211 -21.058) 26.354 11.020 ( -10.376 -6.560 -28.115) 30.678 12.109 ( 1.950 8.398 1.383) 8.731 12.472 ( 8.331 -6.638 -5.697) 12.080 13.556 ( 14.713 2.687 18.043) 23.436 13.941 ( 13.657 -5.564 9.301) 17.435 14.383 ( -5.945 -0.014 -11.374) 12.834 14.728 ( 14.408 -23.143 -19.992) 33.807 15.250 ( -0.622 4.718 6.744) 8.254 15.307 ( -1.456 3.909 2.356) 4.791 16.207 ( -9.187 4.859 18.263) 21.013 16.722 ( -12.546 -14.485 2.256) 19.295 20.015 ( 2.167 3.977 -9.645) 10.655 20.317 ( -1.800 -9.549 -18.418) 20.824 22.555 ( 3.930 2.419 9.099) 10.202 22.750 ( 9.500 -6.653 4.403) 12.405 ======================= Grid point 339 (181/246) ======================= q-point: (-0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 17.022 17.886 -11.862) 27.393 2.392 ( -4.370 7.842 1.790) 9.154 2.466 ( -3.534 -0.802 3.670) 5.157 2.638 ( -3.083 -4.392 1.852) 5.677 2.748 ( 2.499 -6.175 -1.812) 6.904 3.306 ( 33.130 -35.215 -18.339) 51.711 3.964 ( 10.556 10.329 -9.318) 17.462 4.627 ( 17.133 -17.957 -18.331) 30.855 5.648 ( -11.322 13.882 7.558) 19.442 5.853 ( -8.348 2.951 5.047) 10.191 6.308 ( -4.642 -2.420 2.673) 5.878 6.585 ( 2.826 -17.617 -0.972) 17.868 7.552 ( -9.178 8.837 6.266) 14.198 7.795 ( -3.673 -2.331 2.938) 5.250 8.092 ( -17.728 2.313 9.517) 20.254 8.162 ( -12.642 -1.499 8.174) 15.129 9.140 ( -1.241 5.802 2.079) 6.287 9.394 ( 4.306 -5.825 -0.351) 7.252 10.048 ( -0.167 4.384 -6.639) 7.958 10.250 ( 5.587 -5.614 -8.196) 11.398 10.523 ( -0.092 7.097 8.880) 11.368 10.827 ( 5.707 -7.238 -3.445) 9.840 12.209 ( 7.803 10.077 -0.732) 12.766 12.624 ( 12.088 -6.952 -8.435) 16.298 13.902 ( 9.993 12.990 -6.127) 17.496 14.035 ( -3.994 5.903 -1.164) 7.222 14.242 ( 0.494 -3.208 1.322) 3.504 14.986 ( 22.022 -28.620 -16.264) 39.605 15.241 ( -4.415 4.593 -0.739) 6.413 15.288 ( 2.167 0.722 4.491) 5.039 16.063 ( -17.853 -1.998 9.834) 20.480 16.525 ( -12.447 -16.147 9.935) 22.680 20.044 ( 6.540 3.168 -4.778) 8.697 20.281 ( 8.712 -6.981 -7.021) 13.188 22.638 ( 0.195 3.484 0.446) 3.518 22.894 ( 4.392 -8.252 -2.436) 9.660 ======================= Grid point 340 (182/246) ======================= q-point: (-0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 12.404 19.492 -12.415) 26.228 2.337 ( -7.163 1.054 2.591) 7.690 2.626 ( 2.043 -1.565 16.950) 17.144 2.705 ( 8.929 1.552 9.749) 13.311 3.044 ( 23.214 1.682 21.081) 31.402 3.910 ( 33.956 -26.463 -1.262) 43.068 4.129 ( 15.999 12.601 -10.318) 22.830 4.800 ( 13.046 -14.311 -15.182) 24.607 5.479 ( -11.365 14.530 5.873) 19.359 5.699 ( -9.844 1.074 2.709) 10.266 6.264 ( 1.573 2.864 1.924) 3.792 6.711 ( 5.924 -19.418 6.150) 21.212 7.407 ( -10.923 9.187 5.824) 15.416 7.669 ( -12.692 -2.094 3.817) 13.418 7.875 ( -11.301 1.776 10.137) 15.285 8.055 ( -7.212 -6.082 16.008) 18.581 9.013 ( -9.519 7.208 -8.209) 14.490 9.364 ( -4.630 -7.903 -7.922) 12.110 9.737 ( -15.973 16.917 -12.879) 26.593 10.280 ( 3.170 -10.446 -6.977) 12.956 10.888 ( 18.505 5.790 19.516) 27.511 11.211 ( 23.459 -9.542 23.339) 34.440 12.368 ( 10.239 10.342 -4.677) 15.286 12.747 ( 8.207 -4.244 -12.322) 15.401 13.776 ( 0.194 13.333 -24.982) 28.318 13.952 ( -2.753 3.223 -5.750) 7.144 14.442 ( 9.666 5.897 7.327) 13.487 15.035 ( -4.311 -0.151 -2.267) 4.873 15.112 ( -6.272 5.196 -2.742) 8.594 15.569 ( 8.536 -13.037 0.219) 15.585 15.777 ( -0.716 -19.026 -7.561) 20.486 16.365 ( -15.959 -22.454 14.592) 31.173 20.203 ( 11.938 6.617 0.747) 13.669 20.496 ( 13.189 -6.551 4.814) 15.493 22.553 ( -5.996 5.446 -8.254) 11.564 22.873 ( -1.712 -9.137 -9.022) 12.954 ======================= Grid point 341 (183/246) ======================= q-point: (-0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -5.901 6.321 2.950) 9.137 2.296 ( 9.838 15.101 -5.267) 18.777 2.736 ( -2.257 -9.741 17.924) 20.525 3.024 ( 13.439 -2.991 9.602) 16.785 3.782 ( 26.542 12.503 25.011) 38.553 4.258 ( 13.249 11.440 -7.621) 19.092 4.624 ( 22.253 -9.812 14.795) 28.467 4.867 ( 7.191 -11.596 -10.138) 16.999 5.347 ( -4.244 13.259 3.154) 14.275 5.598 ( 0.421 -2.327 2.334) 3.323 6.428 ( 11.369 5.131 4.623) 13.303 6.876 ( 6.127 -15.619 4.644) 17.409 7.232 ( -11.527 6.354 5.411) 14.231 7.427 ( -14.791 -1.491 4.708) 15.594 7.788 ( -6.438 4.455 9.288) 12.148 8.180 ( 3.409 -11.958 21.560) 24.889 8.668 ( -15.237 9.241 -15.610) 23.691 9.105 ( -11.724 -8.543 -13.980) 20.146 9.349 ( -16.615 25.292 -3.794) 30.498 10.245 ( -1.269 -16.189 -7.494) 17.884 11.450 ( 22.313 6.214 19.385) 30.204 11.900 ( 21.909 -15.231 28.695) 39.184 12.496 ( 8.367 8.408 -8.985) 14.881 12.723 ( 0.915 0.800 -14.328) 14.379 13.659 ( 7.195 13.871 -18.310) 24.072 13.886 ( 0.599 -0.029 -3.793) 3.840 14.533 ( -4.481 7.644 -3.241) 9.435 14.928 ( -6.353 -6.149 -6.166) 10.779 15.039 ( 4.570 13.166 -0.136) 13.937 15.305 ( -17.916 5.059 2.402) 18.771 16.108 ( -10.052 -28.218 7.590) 30.902 16.148 ( 17.866 -33.265 -8.830) 38.778 20.496 ( 15.129 9.353 6.299) 18.869 20.820 ( 12.942 -5.662 11.692) 18.338 22.282 ( -12.450 8.818 -14.199) 20.842 22.693 ( -7.223 -10.059 -14.007) 18.697 ======================= Grid point 342 (184/246) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -7.292 -11.105 8.840) 15.957 2.288 ( -7.292 11.105 8.840) 15.957 3.109 ( 15.261 -16.374 0.271) 22.385 3.109 ( 15.261 16.374 0.271) 22.385 4.388 ( -0.655 -7.072 -4.545) 8.433 4.388 ( -0.655 7.072 -4.545) 8.433 4.985 ( 13.054 -1.648 11.555) 17.511 4.985 ( 13.054 1.648 11.555) 17.511 5.688 ( 15.761 -8.962 8.516) 20.031 5.688 ( 15.761 8.962 8.516) 20.031 6.779 ( 1.138 -6.694 4.486) 8.138 6.779 ( 1.138 6.694 4.486) 8.138 7.137 ( -5.974 -3.112 0.331) 6.744 7.137 ( -5.974 3.112 0.331) 6.744 8.018 ( -4.859 -11.653 1.694) 12.739 8.018 ( -4.859 11.653 1.694) 12.739 8.644 ( -1.602 -8.805 3.731) 9.696 8.644 ( -1.602 8.805 3.731) 9.696 9.611 ( -10.588 -25.937 -5.082) 28.472 9.611 ( -10.588 25.937 -5.082) 28.472 12.117 ( 12.619 -9.453 12.921) 20.385 12.117 ( 12.619 9.453 12.921) 20.385 12.618 ( 1.968 -1.625 -12.606) 12.862 12.618 ( 1.968 1.625 -12.606) 12.862 13.885 ( 4.820 -3.380 0.728) 5.931 13.885 ( 4.820 3.380 0.728) 5.931 14.435 ( -16.358 -8.437 -6.653) 19.571 14.435 ( -16.358 8.437 -6.653) 19.571 15.256 ( -15.674 -14.395 5.265) 21.923 15.256 ( -15.674 14.395 5.265) 21.923 15.886 ( 22.475 -28.606 -9.993) 37.726 15.886 ( 22.475 28.606 -9.993) 37.726 21.034 ( 13.151 -7.011 11.216) 18.652 21.034 ( 13.151 7.011 11.216) 18.652 22.143 ( -12.828 -12.360 -15.893) 23.873 22.143 ( -12.828 12.360 -15.893) 23.873 ======================= Grid point 344 (185/246) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -8.294 -10.436 5.523) 14.429 2.197 ( -8.294 10.436 5.523) 14.429 3.387 ( 14.358 -18.131 -3.169) 23.343 3.387 ( 14.358 18.131 -3.169) 23.343 4.226 ( -10.122 -8.760 -7.111) 15.158 4.226 ( -10.122 8.760 -7.111) 15.158 5.262 ( 9.444 -0.888 10.320) 14.017 5.262 ( 9.444 0.888 10.320) 14.017 6.036 ( 8.309 -7.747 -3.162) 11.792 6.036 ( 8.309 7.747 -3.162) 11.792 6.620 ( -14.427 -6.950 -0.668) 16.028 6.620 ( -14.427 6.950 -0.668) 16.028 7.216 ( 10.200 -5.862 1.755) 11.895 7.216 ( 10.200 5.862 1.755) 11.895 7.864 ( -3.922 -3.452 2.634) 5.851 7.864 ( -3.922 3.452 2.634) 5.851 8.821 ( 6.689 -8.972 4.047) 11.901 8.821 ( 6.689 8.972 4.047) 11.901 9.435 ( -4.163 -15.248 5.937) 16.885 9.435 ( -4.163 15.248 5.937) 16.885 12.271 ( 0.029 -4.918 -0.441) 4.938 12.271 ( 0.029 4.918 -0.441) 4.938 12.592 ( 4.160 -1.150 -9.623) 10.547 12.592 ( 4.160 1.150 -9.623) 10.547 13.821 ( -20.676 -6.066 -6.882) 22.619 13.821 ( -20.676 6.066 -6.882) 22.619 14.206 ( 3.171 -3.413 6.949) 8.366 14.206 ( 3.171 3.413 6.949) 8.366 15.058 ( -8.147 -8.509 3.753) 12.363 15.058 ( -8.147 8.509 3.753) 12.363 16.198 ( 17.271 -30.718 -8.462) 36.242 16.198 ( 17.271 30.718 -8.462) 36.242 21.306 ( 4.959 -1.044 4.343) 6.674 21.306 ( 4.959 1.044 4.343) 6.674 21.799 ( -8.647 -9.573 -8.756) 15.591 21.799 ( -8.647 9.573 -8.756) 15.591 ======================= Grid point 346 (186/246) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -7.543 -6.758 0.713) 10.153 2.066 ( -7.543 6.758 0.713) 10.153 3.576 ( 8.866 -21.944 -10.190) 25.768 3.576 ( 8.866 21.944 -10.190) 25.768 3.922 ( -14.335 -17.836 -5.080) 23.440 3.922 ( -14.335 17.836 -5.080) 23.440 5.508 ( 1.013 -7.356 8.580) 11.347 5.508 ( 1.013 7.356 8.580) 11.347 5.730 ( -13.073 -9.149 -36.069) 39.441 5.730 ( -13.073 9.149 -36.069) 39.441 6.461 ( -3.189 -13.327 3.905) 14.249 6.461 ( -3.189 13.327 3.905) 14.249 7.456 ( 8.990 -3.201 6.634) 11.623 7.456 ( 8.990 3.201 6.634) 11.623 8.038 ( 10.879 -2.800 18.792) 21.894 8.038 ( 10.879 2.800 18.792) 21.894 8.785 ( -3.499 -20.792 -10.855) 23.714 8.785 ( -3.499 20.792 -10.855) 23.714 9.596 ( 6.512 -1.271 15.871) 17.202 9.596 ( 6.512 1.271 15.871) 17.202 12.254 ( -0.370 -2.476 1.738) 3.047 12.254 ( -0.370 2.476 1.738) 3.047 12.545 ( 1.224 -4.369 -18.673) 19.217 12.545 ( 1.224 4.369 -18.673) 19.217 13.215 ( -29.003 -7.295 -10.165) 31.586 13.215 ( -29.003 7.295 -10.165) 31.586 14.431 ( 7.978 -3.070 10.413) 13.472 14.431 ( 7.978 3.070 10.413) 13.472 15.004 ( -0.831 -3.001 3.972) 5.047 15.004 ( -0.831 3.001 3.972) 5.047 16.406 ( 9.399 -28.931 -3.305) 30.598 16.406 ( 9.399 28.931 -3.305) 30.598 21.126 ( -12.864 -13.956 -17.395) 25.746 21.126 ( -12.864 13.956 -17.395) 25.746 21.853 ( 7.595 -1.436 12.753) 14.913 21.853 ( 7.595 1.436 12.753) 14.913 ======================= Grid point 348 (187/246) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -3.056 -0.262 -5.066) 5.923 1.941 ( -3.056 0.262 -5.066) 5.923 3.373 ( -16.996 -13.666 -12.359) 25.068 3.373 ( -16.996 13.666 -12.359) 25.068 3.803 ( 3.767 -13.060 -7.090) 15.330 3.803 ( 3.767 13.060 -7.090) 15.330 4.821 ( -28.795 -4.580 -43.818) 52.632 4.821 ( -28.795 4.580 -43.818) 52.632 5.801 ( 7.376 -4.092 5.517) 10.079 5.801 ( 7.376 4.092 5.517) 10.079 6.462 ( -0.023 -16.259 0.834) 16.281 6.462 ( -0.023 16.259 0.834) 16.281 7.634 ( 4.132 -0.390 6.914) 8.064 7.634 ( 4.132 0.390 6.914) 8.064 8.410 ( 8.087 -4.630 14.818) 17.505 8.410 ( 8.087 4.630 14.818) 17.505 8.683 ( 2.616 -12.947 -1.964) 13.354 8.683 ( 2.616 12.947 -1.964) 13.354 9.794 ( 2.971 -2.734 9.610) 10.424 9.794 ( 2.971 2.734 9.610) 10.424 12.104 ( -19.447 -7.820 -22.748) 30.933 12.104 ( -19.447 7.820 -22.749) 30.933 12.346 ( 0.443 -10.521 -13.868) 17.413 12.346 ( 0.443 10.521 -13.868) 17.413 12.874 ( 0.129 -5.743 9.398) 11.015 12.874 ( 0.129 5.744 9.398) 11.015 14.589 ( 2.509 -1.978 2.008) 3.773 14.589 ( 2.509 1.978 2.008) 3.773 15.088 ( 4.446 -1.326 7.176) 8.545 15.088 ( 4.446 1.326 7.176) 8.545 16.510 ( 1.739 -24.976 3.043) 25.221 16.510 ( 1.739 24.976 3.043) 25.221 20.714 ( -12.825 -14.410 -20.544) 28.182 20.714 ( -12.825 14.410 -20.544) 28.182 22.131 ( 8.993 -0.239 14.478) 17.046 22.131 ( 8.993 0.239 14.478) 17.046 ======================= Grid point 350 (188/246) ======================= q-point: (-0.56 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 6.615 -10.708 -10.790) 16.578 1.902 ( 6.615 10.708 -10.790) 16.578 2.943 ( -17.079 -10.132 -8.501) 21.601 2.943 ( -17.079 10.132 -8.501) 21.601 3.633 ( -16.644 -3.300 -28.821) 33.445 3.633 ( -16.644 3.300 -28.820) 33.445 4.123 ( -2.188 -12.415 -28.470) 31.136 4.123 ( -2.188 12.415 -28.470) 31.136 5.928 ( 0.863 -2.730 6.139) 6.774 5.928 ( 0.863 2.730 6.139) 6.774 6.443 ( -1.487 -15.265 -2.354) 15.517 6.443 ( -1.487 15.265 -2.354) 15.517 7.731 ( 0.486 -1.008 6.632) 6.725 7.731 ( 0.486 1.008 6.632) 6.725 8.471 ( -3.961 -5.837 2.462) 7.471 8.471 ( -3.961 5.837 2.462) 7.471 8.903 ( 9.856 -4.175 11.072) 15.400 8.903 ( 9.856 4.175 11.072) 15.400 9.896 ( 2.717 -5.528 5.675) 8.376 9.896 ( 2.717 5.528 5.675) 8.376 11.439 ( -20.175 -5.267 -33.474) 39.437 11.439 ( -20.175 5.267 -33.474) 39.437 12.279 ( -0.880 -8.015 -2.744) 8.517 12.279 ( -0.880 8.015 -2.744) 8.517 13.201 ( 19.508 -9.029 13.336) 25.296 13.201 ( 19.508 9.029 13.336) 25.296 14.571 ( -1.500 -2.823 -7.353) 8.018 14.571 ( -1.500 2.823 -7.353) 8.018 15.239 ( 3.879 -2.411 7.820) 9.056 15.239 ( 3.879 2.411 7.820) 9.056 16.518 ( -5.984 -19.468 8.636) 22.122 16.518 ( -5.984 19.468 8.636) 22.122 20.348 ( -7.616 -11.556 -19.987) 24.312 20.348 ( -7.616 11.556 -19.987) 24.312 22.407 ( 8.518 -2.737 11.822) 14.826 22.407 ( 8.518 2.737 11.822) 14.826 ======================= Grid point 352 (189/246) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 20.541 -21.789 -12.356) 32.394 2.062 ( 20.541 21.789 -12.356) 32.394 2.631 ( -10.040 -4.668 -3.923) 11.747 2.631 ( -10.040 4.668 -3.923) 11.747 2.987 ( -15.903 -6.255 -31.612) 35.935 2.987 ( -15.903 6.255 -31.612) 35.935 4.104 ( 12.079 -15.690 -16.740) 25.929 4.104 ( 12.079 15.690 -16.740) 25.929 5.936 ( -4.783 -3.340 5.790) 8.219 5.936 ( -4.783 3.340 5.790) 8.219 6.380 ( -2.628 -9.073 -2.048) 9.665 6.380 ( -2.628 9.073 -2.048) 9.665 7.758 ( -3.017 -3.413 6.000) 7.533 7.758 ( -3.017 3.413 6.000) 7.533 8.353 ( -11.838 -1.929 5.619) 13.245 8.353 ( -11.838 1.929 5.619) 13.245 9.138 ( 7.487 -4.596 5.873) 10.567 9.138 ( 7.487 4.596 5.873) 10.567 10.020 ( 6.635 -5.664 2.869) 9.184 10.020 ( 6.635 5.664 2.869) 9.184 10.891 ( -12.311 -5.433 -23.211) 26.830 10.891 ( -12.311 5.433 -23.211) 26.830 12.299 ( 5.313 -9.428 -2.235) 11.050 12.299 ( 5.313 9.428 -2.235) 11.050 13.728 ( 23.413 -12.345 12.193) 29.142 13.728 ( 23.413 12.345 12.193) 29.142 14.431 ( -2.865 -6.101 -16.014) 17.375 14.431 ( -2.865 6.101 -16.014) 17.375 15.336 ( 0.240 -2.043 5.750) 6.107 15.336 ( 0.240 2.043 5.750) 6.107 16.412 ( -13.719 -14.023 11.901) 22.945 16.412 ( -13.719 14.023 11.901) 22.945 20.136 ( 0.706 -7.574 -15.268) 17.058 20.136 ( 0.706 7.574 -15.268) 17.058 22.628 ( 6.556 -4.796 6.240) 10.243 22.628 ( 6.556 4.796 6.240) 10.243 ======================= Grid point 354 (190/246) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 7.367 -12.483 -10.163) 17.703 2.383 ( 7.367 12.483 -10.163) 17.703 2.586 ( 11.743 -10.629 7.457) 17.507 2.586 ( 11.743 10.629 7.457) 17.507 2.669 ( 7.942 -14.836 -13.783) 21.752 2.669 ( 7.942 14.836 -13.783) 21.752 4.258 ( 17.043 -16.986 -15.751) 28.759 4.258 ( 17.043 16.986 -15.751) 28.759 5.844 ( -9.152 -4.411 5.037) 11.340 5.844 ( -9.152 4.411 5.037) 11.340 6.336 ( -0.926 -5.947 1.276) 6.152 6.336 ( -0.926 5.947 1.276) 6.152 7.709 ( -6.734 -6.003 4.924) 10.278 7.709 ( -6.734 6.003 4.924) 10.278 8.132 ( -16.221 -1.616 9.389) 18.812 8.132 ( -16.221 1.616 9.389) 18.812 9.264 ( 1.978 -6.259 0.390) 6.576 9.264 ( 1.978 6.259 0.390) 6.576 10.143 ( 4.835 -4.815 -7.967) 10.489 10.143 ( 4.835 4.815 -7.967) 10.489 10.675 ( 2.285 -7.402 2.330) 8.089 10.675 ( 2.285 7.402 2.330) 8.089 12.432 ( 10.557 -10.798 -4.707) 15.818 12.432 ( 10.557 10.798 -4.707) 15.818 14.150 ( -1.699 -5.468 0.114) 5.727 14.150 ( -1.699 5.468 0.114) 5.727 14.331 ( 22.401 -27.459 -14.783) 38.397 14.331 ( 22.401 27.459 -14.783) 38.397 15.333 ( -3.750 -2.597 2.178) 5.055 15.333 ( -3.750 2.597 2.178) 5.055 16.192 ( -19.112 -13.739 13.064) 26.920 16.192 ( -19.112 13.739 13.064) 26.920 20.142 ( 8.875 -6.085 -6.665) 12.658 20.142 ( 8.875 6.085 -6.665) 12.658 22.739 ( 2.429 -6.348 -1.135) 6.891 22.739 ( 2.429 6.348 -1.135) 6.891 ======================= Grid point 356 (191/246) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -1.479 -1.986 1.770) 3.044 2.368 ( -1.479 1.986 1.770) 3.044 2.637 ( 5.155 -8.212 0.718) 9.722 2.637 ( 5.155 8.212 0.718) 9.722 3.329 ( 38.392 -24.544 12.563) 47.267 3.329 ( 38.392 24.544 12.563) 47.267 4.469 ( 16.569 -17.306 -15.149) 28.346 4.469 ( 16.569 17.306 -15.149) 28.346 5.681 ( -10.761 -4.597 3.861) 12.323 5.681 ( -10.761 4.597 3.861) 12.323 6.393 ( 4.767 -10.605 4.987) 12.651 6.393 ( 4.767 10.605 4.987) 12.651 7.573 ( -11.212 -6.659 3.887) 13.607 7.573 ( -11.212 6.659 3.887) 13.607 7.944 ( -11.662 -4.580 14.347) 19.048 7.944 ( -11.662 4.580 14.347) 19.048 9.184 ( -7.544 -8.945 -7.542) 13.921 9.184 ( -7.544 8.945 -7.542) 13.921 10.046 ( -4.438 -12.781 -10.662) 17.226 10.046 ( -4.438 12.781 -10.662) 17.226 11.027 ( 20.050 -7.827 21.211) 30.219 11.027 ( 20.050 7.827 21.211) 30.219 12.588 ( 10.420 -10.099 -8.955) 17.051 12.588 ( 10.420 10.099 -8.955) 17.051 13.968 ( -3.206 -3.476 -15.183) 15.902 13.968 ( -3.206 3.476 -15.183) 15.902 14.731 ( 17.941 -21.766 -6.265) 28.894 14.731 ( 17.941 21.766 -6.265) 28.894 15.265 ( 0.188 -10.098 -2.541) 10.415 15.265 ( 0.188 10.098 -2.541) 10.415 15.909 ( -20.857 -19.439 12.876) 31.284 15.909 ( -20.857 19.439 12.876) 31.284 20.349 ( 13.862 -7.313 2.401) 15.856 20.349 ( 13.862 7.313 2.401) 15.856 22.692 ( -3.415 -7.966 -8.409) 12.076 22.692 ( -3.415 7.966 -8.409) 12.076 ======================= Grid point 358 (192/246) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -5.662 -7.982 8.539) 12.988 2.342 ( -5.662 7.982 8.539) 12.988 2.826 ( 12.823 -13.711 1.251) 18.814 2.826 ( 12.823 13.711 1.251) 18.814 4.133 ( 27.584 -19.070 16.098) 37.198 4.133 ( 27.584 19.070 16.098) 37.198 4.642 ( 13.840 -11.057 -7.754) 19.337 4.642 ( 13.840 11.057 -7.754) 19.337 5.544 ( -4.399 -5.301 3.435) 7.697 5.544 ( -4.399 5.301 3.435) 7.697 6.590 ( 10.259 -11.077 5.368) 16.023 6.590 ( 10.259 11.077 5.368) 16.023 7.351 ( -14.264 -5.134 3.239) 15.502 7.351 ( -14.264 5.134 3.239) 15.502 7.945 ( -1.967 -10.069 17.369) 20.172 7.945 ( -1.967 10.069 17.369) 20.172 8.888 ( -13.291 -11.288 -12.193) 21.277 8.888 ( -13.291 11.288 -12.193) 21.277 9.849 ( -8.573 -21.990 -7.141) 24.659 9.849 ( -8.573 21.990 -7.141) 24.659 11.628 ( 21.286 -10.906 23.235) 33.345 11.628 ( 21.286 10.906 23.235) 33.345 12.658 ( 5.666 -6.399 -12.699) 15.307 12.658 ( 5.666 6.399 -12.699) 15.307 13.850 ( 1.832 -4.581 -9.687) 10.871 13.850 ( 1.832 4.581 -9.687) 10.871 14.739 ( -8.797 -10.765 -6.335) 15.277 14.739 ( -8.797 10.765 -6.335) 15.277 15.425 ( 11.828 -19.293 -7.027) 23.696 15.425 ( 11.828 19.293 -7.027) 23.696 15.641 ( -9.804 -13.336 7.958) 18.366 15.641 ( -9.804 13.336 7.958) 18.366 20.678 ( 15.009 -7.973 8.692) 19.089 20.678 ( 15.009 7.973 8.692) 19.089 22.480 ( -9.212 -10.173 -13.730) 19.413 22.480 ( -9.212 10.173 -13.730) 19.413 ======================= Grid point 396 (193/246) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -14.786 0.000 14.768) 20.897 2.591 ( -14.699 0.000 15.056) 21.042 2.640 ( 15.828 0.000 -9.482) 18.451 2.847 ( 16.064 0.000 -9.849) 18.843 4.549 ( 4.830 0.000 19.515) 20.104 4.762 ( -3.347 0.000 1.335) 3.604 4.777 ( -4.575 0.000 21.579) 22.059 5.083 ( 8.062 0.000 -5.124) 9.552 5.946 ( 5.641 0.000 8.378) 10.100 5.980 ( -0.302 0.000 20.957) 20.959 6.716 ( 10.412 0.000 10.873) 15.054 6.727 ( -3.014 0.000 6.808) 7.445 6.999 ( -16.734 0.000 0.655) 16.747 7.362 ( 3.669 0.000 -11.870) 12.424 7.494 ( -11.168 0.000 11.154) 15.784 7.666 ( -1.373 0.000 -15.774) 15.834 7.883 ( 9.455 0.000 -11.514) 14.899 8.057 ( -10.088 0.000 -23.091) 25.199 9.781 ( 2.368 0.000 27.280) 27.383 10.322 ( -2.614 0.000 -23.940) 24.083 12.073 ( -0.744 0.000 4.371) 4.434 12.165 ( 8.975 0.000 -3.475) 9.625 12.606 ( -1.316 0.000 3.879) 4.096 12.721 ( 7.040 0.000 -6.840) 9.815 14.155 ( 15.238 0.000 16.214) 22.251 14.237 ( 3.487 0.000 8.586) 9.267 14.476 ( -5.985 0.000 -4.871) 7.717 14.541 ( -12.162 0.000 -12.982) 17.789 15.170 ( -7.361 0.000 6.390) 9.748 15.395 ( 9.587 0.000 -14.471) 17.358 17.560 ( -9.590 0.000 12.487) 15.744 17.812 ( 7.371 0.000 -11.803) 13.916 20.416 ( 19.286 0.000 9.762) 21.616 20.619 ( -24.172 0.000 -9.495) 25.970 21.790 ( 2.342 0.000 28.302) 28.399 22.354 ( -4.695 0.000 -25.713) 26.138 ======================= Grid point 397 (194/246) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -6.731 0.000 12.035) 13.790 2.470 ( -8.601 0.000 11.167) 14.095 2.898 ( 18.430 0.000 -13.223) 22.683 3.094 ( 17.948 0.000 -12.594) 21.926 4.576 ( -12.477 0.000 6.177) 13.922 4.610 ( -4.091 0.000 -4.420) 6.022 5.042 ( 14.910 0.000 20.834) 25.620 5.198 ( 8.208 0.000 -21.724) 23.222 5.960 ( -4.991 0.000 -7.841) 9.295 6.070 ( 1.690 0.000 2.876) 3.336 6.576 ( -14.036 0.000 -3.625) 14.497 6.893 ( -0.001 0.000 -8.679) 8.679 7.007 ( -0.930 0.000 31.213) 31.227 7.320 ( 13.862 0.000 -6.417) 15.275 7.505 ( 1.286 0.000 9.561) 9.647 7.764 ( -4.597 0.000 -5.978) 7.541 7.836 ( 10.675 0.000 19.466) 22.201 8.119 ( 23.927 0.000 -8.129) 25.271 9.979 ( -4.502 0.000 27.571) 27.936 10.019 ( -8.156 0.000 -26.177) 27.418 12.029 ( -5.329 0.000 -2.836) 6.037 12.244 ( 5.182 0.000 -10.222) 11.461 12.562 ( -3.077 0.000 0.826) 3.186 12.708 ( -1.699 0.000 -12.433) 12.548 14.059 ( -11.121 0.000 -9.377) 14.547 14.208 ( -13.233 0.000 -11.685) 17.653 14.498 ( 3.660 0.000 5.436) 6.553 14.639 ( 16.833 0.000 15.914) 23.164 15.130 ( -2.331 0.000 10.531) 10.786 15.528 ( 15.951 0.000 -15.634) 22.335 17.432 ( -15.177 0.000 14.611) 21.067 17.837 ( 4.288 0.000 -10.419) 11.267 20.144 ( -18.985 0.000 -4.962) 19.623 20.935 ( 24.786 0.000 13.010) 27.993 22.053 ( -5.731 0.000 -24.742) 25.397 22.061 ( 1.866 0.000 29.564) 29.623 ======================= Grid point 398 (195/246) ======================= q-point: ( 0.22 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 1.021 0.000 10.972) 11.019 2.444 ( -2.392 0.000 8.580) 8.907 3.051 ( 9.601 0.000 -19.068) 21.349 3.274 ( 9.200 0.000 -12.832) 15.789 4.320 ( -9.523 0.000 -10.269) 14.005 4.613 ( 7.941 0.000 -3.964) 8.875 5.024 ( -3.156 0.000 -30.036) 30.201 5.551 ( 18.022 0.000 10.640) 20.929 5.782 ( -2.823 0.000 -0.604) 2.887 6.054 ( 0.863 0.000 -11.553) 11.586 6.301 ( -12.795 0.000 -0.274) 12.798 6.763 ( -1.339 0.000 -8.174) 8.283 7.009 ( -12.625 0.000 6.399) 14.154 7.681 ( 17.831 0.000 5.317) 18.607 7.782 ( 10.856 0.000 26.265) 28.420 7.824 ( 5.405 0.000 12.016) 13.176 8.231 ( 9.495 0.000 28.193) 29.749 8.670 ( 37.910 0.000 -6.666) 38.492 9.599 ( -12.639 0.000 -28.308) 31.001 10.053 ( -10.493 0.000 27.726) 29.645 11.860 ( -7.121 0.000 -6.167) 9.420 12.162 ( -6.894 0.000 -15.153) 16.648 12.450 ( -7.200 0.000 -11.832) 13.851 12.476 ( -4.374 0.000 -19.072) 19.567 13.856 ( -12.293 0.000 -5.018) 13.278 13.902 ( -1.854 0.000 0.431) 1.904 14.627 ( 5.505 0.000 5.675) 7.906 14.949 ( 6.714 0.000 3.451) 7.549 15.325 ( 9.654 0.000 20.314) 22.491 15.736 ( 20.608 0.000 -20.543) 29.098 17.201 ( -22.558 0.000 17.368) 28.470 17.784 ( -1.270 0.000 -12.378) 12.443 19.837 ( -10.753 0.000 1.325) 10.834 21.499 ( 17.363 0.000 4.818) 18.019 21.773 ( 1.549 0.000 -16.334) 16.407 22.323 ( 0.568 0.000 29.492) 29.497 ======================= Grid point 399 (196/246) ======================= q-point: ( 0.33 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 4.852 0.000 9.952) 11.072 2.505 ( 1.811 0.000 6.887) 7.121 2.976 ( 2.005 0.000 -23.173) 23.260 3.159 ( -11.676 0.000 -9.879) 15.294 4.153 ( 5.300 0.000 -19.665) 20.366 4.670 ( -10.283 0.000 -23.256) 25.428 4.798 ( 12.034 0.000 -2.834) 12.363 5.452 ( -7.467 0.000 -14.459) 16.273 5.960 ( 3.559 0.000 -19.253) 19.579 6.047 ( -16.258 0.000 6.586) 17.541 6.294 ( 23.109 0.000 31.050) 38.706 6.747 ( 1.939 0.000 1.319) 2.345 6.839 ( -7.370 0.000 5.324) 9.092 7.970 ( 3.718 0.000 8.121) 8.932 7.987 ( 10.235 0.000 2.484) 10.532 8.276 ( 13.571 0.000 26.347) 29.636 8.620 ( 9.411 0.000 21.316) 23.301 9.021 ( -15.096 0.000 -26.647) 30.626 9.441 ( 35.563 0.000 -4.412) 35.836 10.046 ( -12.560 0.000 28.755) 31.378 11.637 ( -9.033 0.000 -20.724) 22.607 11.708 ( -19.614 0.000 -24.945) 31.733 12.116 ( -11.002 0.000 -11.195) 15.696 12.339 ( -0.485 0.000 -10.567) 10.578 13.760 ( 1.642 0.000 4.859) 5.129 13.930 ( 0.598 0.000 5.753) 5.784 14.800 ( 6.521 0.000 7.343) 9.821 15.048 ( 3.729 0.000 -0.019) 3.729 15.706 ( 10.812 0.000 21.546) 24.106 15.989 ( 25.712 0.000 -26.722) 37.083 16.848 ( -28.936 0.000 19.348) 34.808 17.568 ( -8.804 0.000 -17.340) 19.447 19.780 ( 0.665 0.000 9.267) 9.290 21.280 ( -12.792 0.000 -22.264) 25.677 22.199 ( 25.880 0.000 6.310) 26.638 22.533 ( -2.639 0.000 26.731) 26.860 ======================= Grid point 400 (197/246) ======================= q-point: ( 0.44 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 3.404 0.000 3.294) 4.737 2.629 ( 2.869 0.000 6.292) 6.915 2.777 ( -18.241 0.000 -4.136) 18.704 2.840 ( 2.762 0.000 -18.338) 18.545 4.149 ( 6.505 0.000 -13.713) 15.177 4.289 ( -15.735 0.000 -9.067) 18.161 4.958 ( 4.477 0.000 1.228) 4.643 5.197 ( -10.126 0.000 -6.317) 11.935 5.761 ( -21.068 0.000 14.415) 25.527 5.939 ( 10.404 0.000 -17.342) 20.223 6.823 ( 3.578 0.000 1.419) 3.849 6.823 ( 1.312 0.000 3.394) 3.638 7.008 ( 22.945 0.000 33.797) 40.849 8.082 ( 3.071 0.000 4.029) 5.066 8.120 ( 2.126 0.000 2.028) 2.938 8.401 ( -22.159 0.000 -31.388) 38.421 8.681 ( 10.436 0.000 15.896) 19.016 8.888 ( 6.094 0.000 6.213) 8.703 10.087 ( -7.043 0.000 32.363) 33.121 10.103 ( 30.119 0.000 4.294) 30.424 11.092 ( -24.502 0.000 -23.277) 33.796 11.156 ( -12.575 0.000 -33.553) 35.832 12.022 ( 1.108 0.000 3.755) 3.915 12.235 ( -3.497 0.000 -6.312) 7.216 13.909 ( 8.148 0.000 3.401) 8.829 13.972 ( -1.191 0.000 4.410) 4.568 14.958 ( 2.958 0.000 7.826) 8.366 15.104 ( 2.800 0.000 -1.774) 3.315 15.977 ( -8.615 0.000 22.845) 24.415 16.299 ( 29.304 0.000 -29.194) 41.364 16.515 ( -14.205 0.000 21.129) 25.460 17.206 ( -11.241 0.000 -21.193) 23.990 19.992 ( 9.875 0.000 16.116) 18.900 20.824 ( -15.546 0.000 -21.978) 26.921 22.627 ( -7.626 0.000 20.383) 21.763 22.672 ( 20.499 0.000 -1.142) 20.531 ======================= Grid point 402 (198/246) ======================= q-point: (-0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -14.269 0.000 10.097) 17.480 2.684 ( 2.128 0.000 1.206) 2.446 2.714 ( 0.197 0.000 0.673) 0.701 2.821 ( 7.674 0.000 -8.350) 11.341 3.932 ( -20.181 0.000 6.815) 21.301 4.160 ( -0.502 0.000 1.932) 1.997 4.961 ( -13.272 0.000 2.295) 13.468 5.013 ( -1.800 0.000 9.796) 9.960 5.517 ( -18.235 0.000 21.690) 28.337 6.067 ( 14.543 0.000 -13.460) 19.816 6.874 ( 3.263 0.000 -2.952) 4.401 6.894 ( 4.181 0.000 -3.251) 5.296 7.663 ( 13.715 0.000 35.846) 38.380 7.665 ( -28.143 0.000 -26.854) 38.899 8.158 ( 1.659 0.000 -4.968) 5.238 8.170 ( 6.097 0.000 0.388) 6.110 8.914 ( 5.482 0.000 3.616) 6.567 8.940 ( 0.476 0.000 -8.651) 8.664 10.280 ( -10.890 0.000 6.652) 12.761 10.448 ( -17.215 0.000 15.273) 23.013 10.579 ( 11.853 0.000 -5.305) 12.987 10.846 ( 8.838 0.000 -11.049) 14.148 12.108 ( 2.321 0.000 5.463) 5.935 12.121 ( -3.099 0.000 -4.609) 5.554 13.946 ( -2.727 0.000 -0.901) 2.872 14.059 ( 6.080 0.000 -2.665) 6.638 15.029 ( -0.712 0.000 5.061) 5.111 15.110 ( -0.227 0.000 -6.193) 6.198 15.684 ( -32.505 0.000 28.257) 43.069 16.491 ( 4.661 0.000 -25.747) 26.165 16.750 ( 11.911 0.000 22.230) 25.220 16.975 ( 14.195 0.000 -22.634) 26.717 20.370 ( -13.650 0.000 -19.373) 23.699 20.372 ( 13.372 0.000 20.802) 24.729 22.551 ( -13.477 0.000 10.617) 17.157 22.947 ( 12.780 0.000 -10.154) 16.323 ======================= Grid point 403 (199/246) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -4.190 0.000 23.389) 23.761 2.642 ( -3.353 0.000 -5.317) 6.286 2.680 ( -1.946 0.000 -2.681) 3.312 3.005 ( 8.207 0.000 3.823) 9.054 3.685 ( -14.265 0.000 23.077) 27.130 4.165 ( -8.298 0.000 21.074) 22.649 4.725 ( -14.477 0.000 7.130) 16.138 5.086 ( -2.346 0.000 19.430) 19.571 5.435 ( -11.304 0.000 28.586) 30.740 6.231 ( 11.189 0.000 -9.587) 14.734 6.876 ( -21.426 0.000 -19.509) 28.977 6.885 ( 3.048 0.000 -9.447) 9.926 6.983 ( 0.115 0.000 -12.626) 12.627 7.911 ( -8.242 0.000 14.436) 16.623 8.126 ( -0.166 0.000 -7.080) 7.082 8.476 ( 15.919 0.000 18.916) 24.723 8.780 ( -4.413 0.000 -21.249) 21.703 8.942 ( -0.545 0.000 -7.874) 7.893 9.517 ( -40.801 0.000 -12.425) 42.651 10.564 ( 7.662 0.000 -20.875) 22.237 10.925 ( 16.145 0.000 43.879) 46.755 11.250 ( 20.432 0.000 16.317) 26.148 12.079 ( 2.651 0.000 -2.304) 3.512 12.160 ( -2.200 0.000 6.544) 6.904 13.876 ( -0.852 0.000 -5.893) 5.954 14.083 ( 0.883 0.000 -7.683) 7.734 14.928 ( -13.664 0.000 -3.375) 14.075 15.027 ( -1.868 0.000 1.769) 2.573 15.424 ( -16.469 0.000 25.304) 30.191 16.167 ( -11.558 0.000 -22.957) 25.702 17.163 ( 11.432 0.000 21.125) 24.020 17.264 ( 26.477 0.000 -20.323) 33.378 20.033 ( -6.761 0.000 -14.027) 15.571 20.796 ( 11.733 0.000 23.573) 26.332 22.276 ( -19.448 0.000 -0.618) 19.457 23.004 ( 5.180 0.000 -18.002) 18.733 ======================= Grid point 404 (200/246) ======================= q-point: (-0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -1.742 0.000 -7.896) 8.086 2.551 ( -0.653 0.000 15.694) 15.707 2.640 ( -2.164 0.000 3.737) 4.318 2.994 ( -14.964 0.000 13.678) 20.273 3.904 ( 13.431 0.000 26.912) 30.077 4.193 ( -10.738 0.000 33.294) 34.983 4.584 ( -7.202 0.000 13.407) 15.219 5.221 ( -3.260 0.000 24.856) 25.069 5.521 ( -6.449 0.000 34.439) 35.037 6.192 ( -20.803 0.000 -22.073) 30.331 6.352 ( 6.074 0.000 -5.642) 8.290 6.850 ( 2.557 0.000 -12.285) 12.549 7.091 ( 10.154 0.000 -3.961) 10.899 7.729 ( -16.305 0.000 2.827) 16.548 8.033 ( -2.296 0.000 -10.317) 10.569 8.451 ( -7.369 0.000 -31.237) 32.094 8.502 ( -36.941 0.000 2.088) 37.000 8.794 ( -13.782 0.000 -11.551) 17.982 9.051 ( 13.934 0.000 15.814) 21.077 10.559 ( 7.883 0.000 -20.793) 22.237 11.562 ( 16.860 0.000 26.875) 31.726 11.799 ( 20.186 0.000 18.018) 27.058 12.152 ( -3.282 0.000 10.580) 11.077 12.231 ( 12.536 0.000 5.650) 13.750 13.859 ( 4.469 0.000 -4.325) 6.219 13.986 ( -4.282 0.000 -6.247) 7.573 14.678 ( -10.039 0.000 2.817) 10.427 14.991 ( -2.402 0.000 -1.373) 2.766 15.351 ( -9.404 0.000 14.159) 16.997 15.764 ( -11.214 0.000 -21.779) 24.496 17.474 ( 4.228 0.000 17.291) 17.801 17.563 ( 19.593 0.000 -17.204) 26.074 19.916 ( 3.164 0.000 -5.769) 6.580 21.175 ( 7.410 0.000 24.548) 25.642 21.810 ( -24.480 0.000 -8.672) 25.971 22.878 ( -0.485 0.000 -23.267) 23.272 ======================= Grid point 405 (201/246) ======================= q-point: (-0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 6.097 0.000 -8.205) 10.222 2.561 ( -14.833 0.000 19.160) 24.231 2.667 ( 9.296 0.000 -7.467) 11.924 2.782 ( -18.542 0.000 17.514) 25.506 4.314 ( -0.867 0.000 25.462) 25.477 4.440 ( 20.024 0.000 18.771) 27.447 4.661 ( -3.208 0.000 25.785) 25.984 5.230 ( -14.245 0.000 10.538) 17.720 5.730 ( -1.768 0.000 37.115) 37.157 5.828 ( -0.549 0.000 -5.319) 5.347 6.478 ( 8.122 0.000 2.842) 8.605 6.788 ( 0.167 0.000 -10.102) 10.103 7.259 ( 8.051 0.000 0.425) 8.062 7.371 ( -20.338 0.000 -1.133) 20.370 7.825 ( -32.060 0.000 9.542) 33.450 7.896 ( -1.807 0.000 -11.727) 11.866 8.034 ( -6.537 0.000 -36.854) 37.430 8.444 ( -9.306 0.000 -24.967) 26.645 9.459 ( 8.906 0.000 25.892) 27.380 10.499 ( 3.180 0.000 -21.987) 22.216 11.953 ( 12.130 0.000 6.043) 13.552 12.042 ( -1.363 0.000 7.765) 7.884 12.420 ( 13.518 0.000 14.868) 20.094 12.552 ( 13.065 0.000 2.743) 13.350 13.908 ( 0.142 0.000 5.106) 5.108 14.008 ( 9.812 0.000 6.018) 11.510 14.575 ( -3.625 0.000 -0.045) 3.625 14.868 ( -8.756 0.000 -7.477) 11.514 15.269 ( -8.361 0.000 7.986) 11.562 15.447 ( -2.595 0.000 -18.891) 19.068 17.593 ( -3.980 0.000 13.253) 13.837 17.736 ( 11.984 0.000 -14.439) 18.764 20.058 ( 12.312 0.000 3.196) 12.720 21.190 ( -24.850 0.000 -10.731) 27.067 21.522 ( 2.133 0.000 25.471) 25.560 22.639 ( -3.507 0.000 -25.617) 25.856 ======================= Grid point 406 (202/246) ======================= q-point: ( 0.00 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -11.411 -12.857 12.371) 21.179 2.364 ( 12.866 -15.578 -8.686) 21.992 2.861 ( -13.737 16.468 15.771) 26.620 3.134 ( 16.167 17.145 -10.490) 25.794 4.516 ( -7.274 -10.711 22.460) 25.925 4.696 ( 5.152 3.936 13.716) 15.171 4.820 ( 4.531 -2.104 3.714) 6.225 5.015 ( -0.122 -3.628 -6.380) 7.340 5.770 ( 6.051 -6.429 27.751) 29.121 6.120 ( 5.147 4.249 -2.864) 7.263 6.723 ( -5.187 1.662 4.726) 7.211 6.780 ( 10.100 2.938 8.951) 13.812 7.047 ( -14.172 4.765 3.793) 15.425 7.348 ( 2.437 -0.717 -12.416) 12.673 7.522 ( -11.692 1.214 4.712) 12.664 7.671 ( -0.460 0.728 -10.678) 10.713 7.842 ( 1.716 0.296 1.338) 2.196 8.218 ( -4.484 11.390 -26.681) 29.355 9.765 ( 3.086 -1.511 27.815) 28.026 10.304 ( -2.967 -1.816 -23.208) 23.467 12.075 ( 0.163 0.105 3.880) 3.884 12.170 ( 7.146 0.472 -3.976) 8.191 12.573 ( 2.065 -2.749 4.801) 5.905 12.713 ( 3.482 -0.906 -8.645) 9.364 14.139 ( 11.048 -2.351 11.292) 15.972 14.225 ( 12.205 -1.143 15.238) 19.557 14.366 ( -7.282 -8.402 -4.688) 12.067 14.575 ( -12.656 1.564 -11.839) 17.401 15.076 ( -7.065 -6.995 4.188) 10.788 15.266 ( 7.851 -10.916 -13.322) 18.928 17.460 ( -12.076 -9.930 12.553) 20.050 17.715 ( 9.577 -9.540 -12.109) 18.148 20.485 ( 19.564 6.233 10.672) 23.140 20.716 ( -24.152 8.485 -11.403) 28.024 21.790 ( 3.332 0.019 27.293) 27.496 22.339 ( -5.483 -1.486 -25.158) 25.791 ======================= Grid point 407 (203/246) ======================= q-point: ( 0.11 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -0.842 -8.053 8.821) 11.974 2.612 ( 19.654 -17.711 -10.846) 28.593 2.720 ( -11.901 15.889 11.862) 23.126 3.321 ( 12.405 12.772 -14.860) 23.191 4.464 ( -10.811 -10.456 11.298) 18.811 4.686 ( -5.148 6.133 -5.246) 9.573 5.042 ( 10.682 -1.906 13.138) 17.040 5.083 ( 12.320 -8.197 -14.301) 20.579 5.925 ( -6.116 -0.628 -3.727) 7.190 6.053 ( -0.356 -3.302 -13.996) 14.385 6.583 ( -14.021 -0.518 0.451) 14.038 6.868 ( -0.190 0.832 -1.407) 1.645 7.099 ( 1.885 6.213 18.998) 20.077 7.335 ( 11.404 1.809 -1.444) 11.636 7.508 ( 2.235 0.386 10.855) 11.090 7.690 ( 1.386 -2.979 -1.810) 3.751 7.992 ( 6.458 9.044 22.793) 25.358 8.218 ( 22.930 9.751 -13.702) 28.435 9.972 ( -4.983 -0.839 20.220) 20.842 9.997 ( -7.826 -1.981 -19.164) 20.795 12.037 ( -4.970 0.686 -2.915) 5.803 12.233 ( 4.282 -1.093 -9.058) 10.079 12.549 ( -2.883 -1.215 -2.941) 4.294 12.696 ( 0.165 -0.924 -8.451) 8.503 14.038 ( -11.018 -3.084 -7.935) 13.924 14.157 ( -15.040 -4.239 -14.444) 21.279 14.441 ( 6.724 -4.803 6.129) 10.288 14.688 ( 15.222 4.055 12.722) 20.249 15.036 ( -0.334 -8.357 10.275) 13.249 15.386 ( 14.094 -11.305 -13.191) 22.371 17.283 ( -17.896 -14.392 14.817) 27.330 17.774 ( 5.592 -6.389 -10.276) 13.329 20.222 ( -19.391 7.157 -6.588) 21.694 21.009 ( 24.173 6.392 13.898) 28.606 22.023 ( -6.244 -2.596 -20.860) 21.929 22.073 ( 2.265 0.798 25.259) 25.373 ======================= Grid point 408 (204/246) ======================= q-point: ( 0.22 0.10 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 6.536 -3.412 7.233) 10.329 2.610 ( -7.882 11.338 9.770) 16.915 2.882 ( 16.867 -14.441 -14.558) 26.551 3.333 ( 1.860 3.778 -16.193) 16.732 4.233 ( -11.123 -6.329 -13.659) 18.718 4.674 ( 4.849 3.968 2.071) 6.599 4.995 ( 0.000 -3.989 -23.532) 23.868 5.453 ( 8.691 -9.559 -4.825) 13.791 5.694 ( 1.819 -5.608 2.997) 6.614 5.911 ( -3.304 -11.700 -12.798) 17.652 6.253 ( -16.635 -2.791 -5.398) 17.710 6.859 ( 1.798 8.199 -1.534) 8.533 7.156 ( -6.276 10.832 8.585) 15.180 7.661 ( 13.217 -3.655 11.451) 17.866 7.749 ( 9.581 -1.089 6.089) 11.405 7.869 ( 12.767 5.584 22.476) 26.445 8.362 ( 8.003 9.621 29.358) 31.914 8.739 ( 37.131 6.842 -7.311) 38.457 9.562 ( -13.230 -3.548 -28.487) 31.609 10.050 ( -10.141 -0.192 26.587) 28.456 11.875 ( -7.023 1.351 -6.026) 9.352 12.114 ( -9.032 -4.437 -17.162) 19.895 12.421 ( -1.664 -0.617 -12.971) 13.092 12.552 ( -8.192 5.024 -13.635) 16.681 13.763 ( -10.364 -9.045 -5.408) 14.781 13.901 ( -1.934 -0.827 -0.641) 2.199 14.593 ( 5.730 -3.003 4.623) 7.952 14.938 ( 6.283 -0.921 2.095) 6.687 15.300 ( 12.998 -3.128 17.735) 22.210 15.568 ( 17.201 -12.804 -16.617) 27.128 17.004 ( -24.738 -18.444 17.315) 35.383 17.742 ( -0.595 -4.222 -11.636) 12.392 19.892 ( -11.414 5.171 -0.421) 12.538 21.520 ( 8.721 0.319 -2.018) 8.957 21.775 ( 8.094 1.095 -8.025) 11.451 22.338 ( 1.137 1.144 28.537) 28.583 ======================= Grid point 409 (205/246) ======================= q-point: ( 0.33 0.10 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 7.831 -0.850 6.142) 9.988 2.584 ( -2.437 5.401 8.675) 10.506 2.950 ( 4.488 -3.609 -20.424) 21.220 3.150 ( -10.157 -0.970 -11.251) 15.188 3.970 ( 4.063 -14.792 -25.653) 29.889 4.658 ( -16.932 -3.305 -14.233) 22.365 4.820 ( 6.199 0.696 -1.285) 6.369 5.281 ( -2.457 -16.054 -17.392) 23.796 5.734 ( -3.169 -16.354 -10.279) 19.574 5.880 ( -11.497 -8.473 -6.215) 15.576 6.237 ( 20.353 -4.893 27.922) 34.897 6.929 ( 6.001 14.057 0.148) 15.285 7.102 ( -5.958 17.888 9.175) 20.969 7.867 ( 3.689 -9.050 7.002) 12.023 8.012 ( 10.322 2.392 3.371) 11.118 8.355 ( 15.633 7.079 22.899) 28.616 8.713 ( 5.587 6.748 21.859) 23.549 9.018 ( -15.280 -0.104 -27.362) 31.339 9.456 ( 36.203 1.871 -3.003) 36.375 10.041 ( -12.013 -0.365 27.338) 29.864 11.625 ( -11.882 -2.809 -27.065) 29.691 11.674 ( -16.801 -1.467 -18.555) 25.074 12.135 ( -12.653 1.432 -10.813) 16.705 12.362 ( -0.727 2.066 -9.444) 9.695 13.722 ( 4.252 -3.591 5.335) 7.710 13.935 ( 1.085 -0.085 6.321) 6.414 14.763 ( 7.229 -3.382 6.431) 10.250 15.047 ( 4.708 -0.009 -0.080) 4.708 15.679 ( 14.685 -8.529 6.666) 18.244 15.793 ( 19.197 -10.844 -12.524) 25.357 16.619 ( -29.531 -20.911 18.847) 40.799 17.542 ( -8.651 -2.547 -16.309) 18.636 19.805 ( -0.294 2.266 7.298) 7.647 21.226 ( -13.050 -5.106 -22.276) 26.317 22.246 ( 24.173 3.830 7.762) 25.676 22.552 ( -1.824 1.503 25.752) 25.861 ======================= Grid point 410 (206/246) ======================= q-point: ( 0.44 0.10 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 3.619 -0.491 3.001) 4.727 2.643 ( 0.919 1.161 5.774) 5.961 2.776 ( -15.817 -0.216 -5.925) 16.891 2.840 ( 0.891 0.009 -17.460) 17.482 3.991 ( 13.568 -15.673 -18.085) 27.510 4.163 ( -24.717 -13.637 -4.250) 28.547 4.874 ( -3.585 -9.007 6.509) 11.676 5.124 ( -3.159 -7.515 -10.509) 13.300 5.577 ( -9.869 -9.076 5.466) 14.479 5.724 ( 3.558 -13.548 -12.992) 19.105 6.877 ( 17.994 -7.556 29.227) 35.144 7.064 ( 4.776 16.917 1.619) 17.653 7.095 ( 2.431 16.525 7.152) 18.169 7.923 ( -2.122 -13.494 -3.925) 14.212 8.154 ( 2.302 3.135 2.946) 4.879 8.444 ( -15.903 2.537 -22.363) 27.558 8.762 ( 9.636 7.153 15.577) 19.663 8.966 ( 5.615 6.803 5.333) 10.307 10.079 ( -0.651 -0.498 26.663) 26.676 10.099 ( 22.767 -0.668 7.908) 24.111 11.062 ( -22.712 -2.855 -23.814) 33.032 11.140 ( -13.986 -1.625 -31.989) 34.951 12.030 ( -0.026 0.765 5.148) 5.204 12.263 ( -2.306 2.454 -7.256) 7.999 13.911 ( 9.548 0.159 3.960) 10.338 13.984 ( -1.836 1.128 5.567) 5.969 14.937 ( 3.609 -1.938 8.615) 9.539 15.113 ( 2.734 0.990 -1.704) 3.370 15.848 ( -20.088 -15.338 19.675) 32.029 16.053 ( 27.230 -22.326 -28.162) 45.088 16.385 ( -0.598 -8.234 20.692) 22.278 17.180 ( -12.496 -2.054 -20.535) 24.126 19.982 ( 8.866 -0.935 14.486) 17.010 20.774 ( -15.001 -4.773 -21.808) 26.896 22.658 ( -5.918 2.384 19.028) 20.070 22.698 ( 18.585 1.921 0.262) 18.686 ======================= Grid point 412 (207/246) ======================= q-point: (-0.44 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -13.751 0.091 9.798) 16.884 2.672 ( 0.934 -1.036 1.308) 1.912 2.717 ( 0.760 -0.089 0.938) 1.211 2.810 ( 7.157 -1.056 -7.894) 10.708 3.682 ( -26.873 -21.565 10.857) 36.126 4.139 ( 9.304 -5.617 -2.786) 11.220 4.823 ( -9.115 -17.226 15.219) 24.727 4.978 ( -7.601 0.931 -1.250) 7.759 5.483 ( -6.977 0.195 11.227) 13.219 5.765 ( 10.677 -21.236 -12.194) 26.714 6.997 ( -5.560 14.338 4.605) 16.053 7.210 ( 8.454 17.161 -6.798) 20.302 7.421 ( -11.022 -14.429 7.855) 19.783 7.645 ( 3.414 -9.110 -3.037) 10.192 8.158 ( -3.118 3.510 1.976) 5.094 8.250 ( 3.279 3.859 -1.603) 5.312 8.917 ( -2.212 3.115 2.506) 4.569 9.073 ( 6.893 8.873 -6.352) 12.907 10.251 ( -11.661 -2.790 5.241) 13.086 10.466 ( -14.763 1.705 14.890) 21.038 10.541 ( 11.686 -3.763 -4.513) 13.080 10.833 ( 8.281 -1.180 -10.788) 13.651 12.060 ( -3.741 -1.209 5.850) 7.049 12.216 ( 4.122 5.361 -5.612) 8.788 13.942 ( -4.497 0.128 0.106) 4.500 14.087 ( 6.969 2.361 -2.752) 7.856 15.008 ( -3.163 -1.843 6.063) 7.082 15.113 ( -0.978 -0.086 -6.042) 6.121 15.429 ( -32.272 -22.223 27.516) 47.880 16.354 ( 17.565 -15.693 -24.248) 33.805 16.729 ( 13.120 -4.205 15.918) 21.052 16.848 ( 2.586 -6.115 -18.035) 19.218 20.288 ( -2.997 -5.323 3.195) 6.894 20.386 ( 3.171 -1.194 -2.423) 4.165 22.604 ( -11.555 4.149 9.233) 15.362 22.956 ( 11.716 0.456 -9.173) 14.887 ======================= Grid point 413 (208/246) ======================= q-point: (-0.33 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -4.146 0.635 21.875) 22.274 2.607 ( -5.324 -2.066 -2.804) 6.362 2.712 ( 0.073 1.371 -1.324) 1.907 2.973 ( 3.398 -3.652 4.384) 6.641 3.399 ( -11.211 -20.762 26.452) 35.447 4.286 ( 0.305 6.083 15.733) 16.871 4.784 ( -12.492 -4.569 13.998) 19.310 4.833 ( -7.124 -9.705 15.333) 19.494 5.494 ( -3.134 2.305 15.765) 16.238 5.925 ( 15.347 -23.557 -10.794) 30.116 6.776 ( -23.712 -5.896 -19.581) 31.312 6.940 ( -7.614 8.067 -3.022) 11.498 7.299 ( 6.305 17.792 -8.992) 20.908 7.865 ( -2.163 -6.988 10.896) 13.124 8.071 ( -5.832 -2.036 -3.604) 7.152 8.484 ( 13.688 -0.020 18.785) 23.243 8.766 ( -6.779 0.909 -15.150) 16.622 9.076 ( -0.757 10.007 -11.697) 15.412 9.542 ( -38.062 2.273 -12.742) 40.203 10.517 ( 6.843 -3.705 -16.826) 18.538 10.936 ( 15.842 -0.345 38.702) 41.820 11.228 ( 21.559 -1.470 17.336) 27.703 12.048 ( 0.888 -0.968 3.784) 4.006 12.258 ( 1.260 6.938 -1.127) 7.141 13.839 ( -3.252 -2.887 -5.372) 6.911 14.100 ( -1.079 0.760 -8.609) 8.710 14.806 ( -19.145 -12.403 6.590) 23.744 15.016 ( -4.506 -1.523 2.956) 5.600 15.269 ( -7.562 -10.147 15.527) 20.030 16.145 ( -11.728 -2.293 -20.664) 23.871 17.033 ( 27.695 -21.341 -20.666) 40.615 17.163 ( 11.540 -0.189 19.296) 22.484 20.018 ( -5.829 -1.309 -12.050) 13.450 20.759 ( 12.179 -3.628 21.757) 25.197 22.356 ( -17.262 6.427 -2.314) 18.564 23.004 ( 4.546 -0.256 -17.166) 17.760 ======================= Grid point 414 (209/246) ======================= q-point: (-0.22 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -5.401 -5.851 -5.437) 9.642 2.525 ( -13.307 -8.749 18.181) 24.170 2.755 ( 6.874 8.988 -2.113) 11.511 2.943 ( -8.121 -2.319 19.770) 21.498 3.750 ( 16.636 -8.380 28.316) 33.894 4.392 ( -6.731 11.665 26.790) 29.985 4.642 ( -9.280 3.941 11.831) 15.544 4.931 ( -4.025 -17.912 30.724) 35.791 5.588 ( -2.107 -1.310 15.707) 15.902 6.143 ( -1.381 -11.578 -15.806) 19.641 6.194 ( -0.271 -6.586 -8.784) 10.982 6.847 ( -2.961 7.473 0.195) 8.041 7.325 ( 3.912 13.099 -8.646) 16.175 7.738 ( -15.943 0.803 3.263) 16.294 7.919 ( -3.101 -9.415 -9.451) 13.696 8.425 ( -10.186 0.558 -25.168) 27.156 8.612 ( -40.700 8.502 1.937) 41.624 8.915 ( -1.791 6.555 0.788) 6.841 9.011 ( 8.768 -1.398 0.596) 8.899 10.525 ( 7.696 -2.908 -18.811) 20.531 11.530 ( 16.547 -4.365 27.505) 32.394 11.803 ( 19.779 1.736 14.405) 24.531 12.199 ( 1.474 4.384 12.488) 13.317 12.285 ( 10.593 4.477 3.655) 12.067 13.758 ( -0.517 -10.583 -4.136) 11.374 13.955 ( -5.623 -3.079 -4.193) 7.660 14.594 ( -8.386 -6.630 6.198) 12.357 14.954 ( -3.478 -2.955 -0.012) 4.564 15.240 ( -6.167 -7.981 7.996) 12.871 15.739 ( -12.799 -2.243 -19.759) 23.649 17.367 ( 21.419 -17.792 -16.342) 32.286 17.455 ( 4.015 -2.941 14.758) 15.575 19.936 ( 4.236 1.966 -4.112) 6.222 21.140 ( 8.360 -3.377 23.549) 25.216 21.915 ( -22.634 8.592 -10.821) 26.518 22.875 ( -0.942 -0.523 -22.502) 22.527 ======================= Grid point 415 (210/246) ======================= q-point: (-0.11 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 1.192 -10.793 -7.363) 13.120 2.331 ( -17.967 -15.416 15.694) 28.404 2.915 ( 13.021 15.449 -6.446) 21.208 2.959 ( -10.292 11.046 20.236) 25.248 4.287 ( 12.467 -5.231 25.538) 28.896 4.504 ( 3.116 7.431 14.881) 16.923 4.647 ( -4.191 -3.311 20.621) 21.302 5.108 ( -6.532 -8.147 25.671) 27.713 5.544 ( -6.143 -7.974 8.926) 13.453 5.980 ( 5.538 3.071 0.730) 6.375 6.466 ( 13.856 -1.823 5.192) 14.908 6.807 ( -2.279 4.550 -0.475) 5.111 7.313 ( -2.435 2.511 -1.829) 3.947 7.400 ( -14.768 3.830 -3.350) 15.620 7.781 ( -6.700 -4.904 -7.415) 11.132 7.947 ( -22.132 2.632 -2.111) 22.388 8.008 ( -13.232 3.646 -21.049) 25.129 8.593 ( -8.529 10.723 -28.591) 31.705 9.421 ( 9.539 -3.502 27.375) 29.200 10.476 ( 3.075 -2.097 -20.628) 20.961 11.939 ( 10.592 -1.823 8.528) 13.720 12.077 ( 1.880 2.989 5.175) 6.265 12.352 ( 11.080 -3.353 10.869) 15.879 12.643 ( 11.469 6.543 1.585) 13.299 13.834 ( 6.332 -12.511 14.768) 20.364 13.934 ( 5.738 -2.690 2.218) 6.714 14.515 ( -4.616 -4.710 0.141) 6.597 14.852 ( -7.057 -1.185 -4.726) 8.576 15.162 ( -5.720 -7.932 3.176) 10.282 15.384 ( -7.170 -5.401 -17.193) 19.396 17.533 ( -4.482 -6.552 11.250) 13.769 17.597 ( 13.495 -13.134 -13.453) 23.144 20.108 ( 13.112 4.697 4.384) 14.601 21.278 ( -20.421 6.267 -8.478) 22.982 21.527 ( -0.206 1.303 20.058) 20.101 22.632 ( -4.064 -0.796 -24.922) 25.263 ======================= Grid point 416 (211/246) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -2.858 -3.010 6.462) 7.680 2.102 ( 6.449 -8.723 -6.158) 12.474 3.204 ( -10.396 16.372 15.409) 24.771 3.483 ( 13.723 16.184 -11.372) 24.074 4.147 ( -9.967 -21.731 26.475) 35.672 4.580 ( 11.945 -16.777 -11.940) 23.806 4.889 ( 2.800 10.661 12.012) 16.303 5.045 ( -5.552 4.467 -0.351) 7.135 5.721 ( 11.207 0.982 30.355) 32.372 6.155 ( 8.937 -0.401 -7.669) 11.783 6.742 ( -7.303 -0.380 2.115) 7.613 6.831 ( 8.590 1.516 1.137) 8.797 7.182 ( -10.684 7.353 7.205) 14.837 7.376 ( 2.899 4.060 -9.020) 10.307 7.517 ( -10.827 -0.399 -3.267) 11.317 7.632 ( 1.266 -4.072 -10.432) 11.270 7.997 ( -8.477 13.174 15.949) 22.356 8.445 ( -1.143 9.588 -24.486) 26.321 9.716 ( 5.119 -3.376 28.893) 29.537 10.244 ( -4.261 -4.209 -21.462) 22.282 12.069 ( 2.626 -0.699 4.180) 4.986 12.187 ( 2.936 1.305 -5.915) 6.732 12.514 ( 6.000 -2.458 4.662) 7.986 12.679 ( -1.385 -2.473 -10.911) 11.273 14.018 ( 15.070 -8.781 10.954) 20.596 14.154 ( 5.807 -6.543 13.073) 15.730 14.237 ( 2.497 -1.820 0.719) 3.172 14.590 ( -16.412 -0.494 -13.681) 21.373 14.967 ( -8.360 -2.577 -0.013) 8.748 15.041 ( 7.351 -8.412 -7.399) 13.400 17.140 ( -18.215 -20.889 13.040) 30.630 17.409 ( 15.408 -20.060 -12.897) 28.392 20.652 ( 19.476 9.366 11.884) 24.663 20.922 ( -22.500 10.492 -13.830) 28.419 21.787 ( 5.404 -0.484 24.197) 24.798 22.288 ( -7.390 -3.534 -23.458) 24.847 ======================= Grid point 417 (212/246) ======================= q-point: ( 0.11 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 6.269 1.626 2.503) 6.943 2.260 ( 15.311 -14.983 -8.783) 23.153 3.069 ( -14.127 17.586 11.194) 25.182 3.530 ( 0.708 4.823 -12.187) 13.125 4.196 ( -2.871 -11.854 14.454) 18.913 4.656 ( 8.192 -17.402 -16.390) 25.269 4.934 ( -3.071 7.661 -3.018) 8.788 5.108 ( 9.850 2.994 8.763) 13.520 5.943 ( -5.414 -1.803 -1.759) 5.971 5.958 ( -9.071 -1.504 -30.820) 32.163 6.528 ( -15.316 -4.332 2.937) 16.185 6.955 ( 4.958 6.001 -2.757) 8.258 7.193 ( 1.642 1.633 13.628) 13.823 7.419 ( 3.913 6.385 7.411) 10.536 7.527 ( 8.381 2.178 5.207) 10.104 7.649 ( 6.882 -0.785 1.054) 7.006 8.167 ( 5.543 8.101 27.415) 29.119 8.479 ( 20.480 13.730 -12.645) 27.710 9.911 ( -10.149 -5.277 -23.030) 25.714 9.965 ( -2.584 -1.265 23.472) 23.648 12.057 ( -3.733 1.379 -3.423) 5.249 12.199 ( 1.811 -2.057 -7.237) 7.738 12.516 ( -2.555 -1.640 -8.861) 9.366 12.675 ( 5.022 -1.293 -0.311) 5.195 13.865 ( -16.531 -13.002 -13.197) 24.829 14.086 ( -16.135 -2.897 -15.287) 22.415 14.327 ( 10.814 -5.273 6.592) 13.718 14.767 ( 19.710 -0.987 14.655) 24.581 14.869 ( -2.753 -1.646 3.011) 4.399 15.178 ( 11.150 -7.087 -4.666) 14.011 16.851 ( -23.548 -26.603 15.138) 38.619 17.559 ( 9.643 -14.694 -10.341) 20.392 20.416 ( -19.564 11.044 -9.829) 24.522 21.160 ( 21.663 7.432 14.081) 26.885 21.949 ( -8.232 -4.492 -21.190) 23.172 22.085 ( 4.152 -0.002 25.087) 25.429 ======================= Grid point 418 (213/246) ======================= q-point: ( 0.22 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 10.944 2.669 1.630) 11.382 2.512 ( 18.901 -19.856 -12.134) 29.980 2.871 ( -13.659 13.690 8.090) 20.962 3.361 ( -7.291 -3.109 -11.006) 13.563 4.111 ( -8.860 -4.568 -16.021) 18.869 4.684 ( 2.011 -8.248 -0.453) 8.502 4.847 ( -0.850 -5.127 -11.377) 12.507 5.239 ( -6.882 -9.622 -19.876) 23.130 5.622 ( 3.220 -1.849 -11.536) 12.119 5.681 ( -4.891 -7.604 -6.894) 11.370 6.198 ( -17.086 -2.322 -2.328) 17.399 7.076 ( 6.292 11.919 2.922) 13.791 7.322 ( 3.066 1.684 8.642) 9.323 7.550 ( 0.655 -3.722 10.243) 10.918 7.795 ( 15.389 4.817 2.364) 16.298 8.012 ( 18.020 7.501 20.346) 28.195 8.540 ( 7.117 6.767 30.065) 31.628 8.935 ( 32.403 10.481 -6.939) 34.756 9.464 ( -13.496 -5.130 -27.385) 30.958 10.047 ( -8.914 -0.109 23.811) 25.425 11.903 ( -6.215 0.284 -12.388) 13.863 12.008 ( -11.678 -3.972 -14.843) 19.299 12.429 ( 0.143 1.207 -7.037) 7.142 12.669 ( -10.430 6.148 -9.797) 15.575 13.449 ( -3.824 -21.472 -10.365) 24.148 13.857 ( -3.438 -3.589 -0.456) 4.991 14.525 ( 6.419 -2.833 2.647) 7.499 14.915 ( 4.762 -1.624 2.376) 5.564 15.146 ( 13.034 -9.056 -1.057) 15.907 15.421 ( 14.499 -0.363 6.292) 15.809 16.483 ( -28.001 -30.427 16.398) 44.483 17.595 ( 2.063 -10.439 -10.244) 14.770 20.040 ( -13.066 8.850 -4.590) 16.435 21.452 ( -5.467 -6.720 -15.054) 17.368 21.842 ( 17.017 4.674 7.131) 19.034 22.355 ( 2.318 0.199 26.004) 26.108 ======================= Grid point 419 (214/246) ======================= q-point: ( 0.33 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 8.805 1.007 2.181) 9.127 2.711 ( -6.330 4.874 4.582) 9.210 2.754 ( 13.376 -14.720 -11.941) 23.198 3.110 ( -9.193 -3.682 -11.363) 15.072 3.688 ( -8.298 -9.666 -33.830) 36.149 4.415 ( -33.235 -19.729 -3.546) 38.812 4.753 ( -1.767 -8.831 -5.609) 10.610 4.894 ( 1.665 -19.388 -23.617) 30.601 5.541 ( 4.496 -0.006 -12.126) 12.933 5.770 ( -7.255 -1.975 -0.453) 7.532 6.130 ( 12.350 -4.253 19.707) 23.642 7.231 ( 8.195 13.960 1.534) 16.260 7.421 ( -0.587 10.910 8.439) 13.805 7.625 ( 0.651 -13.108 3.893) 13.689 8.081 ( 10.652 4.152 3.646) 12.000 8.522 ( 17.620 7.826 16.592) 25.436 8.802 ( -5.152 0.900 9.147) 10.537 9.032 ( -4.691 1.300 -10.747) 11.798 9.540 ( 31.440 6.389 -2.183) 32.157 10.037 ( -10.691 -0.027 23.702) 26.002 11.505 ( -13.171 -7.309 -32.131) 35.487 11.673 ( -17.839 0.203 -15.438) 23.592 12.160 ( -14.392 0.844 -9.164) 17.083 12.413 ( -1.880 2.446 -6.955) 7.609 13.604 ( 12.666 -8.313 7.552) 16.928 13.894 ( 3.216 -4.692 7.515) 9.425 14.670 ( 8.291 -5.027 1.591) 9.825 15.045 ( 6.833 -1.167 0.497) 6.950 15.292 ( 10.356 -17.032 -14.201) 24.474 15.745 ( 3.273 -2.900 12.228) 12.986 16.090 ( -19.694 -25.014 16.826) 36.009 17.453 ( -7.054 -6.463 -13.665) 16.681 19.870 ( -3.140 4.030 2.196) 5.561 21.073 ( -13.716 -9.506 -21.908) 27.540 22.321 ( 20.423 2.756 9.759) 22.802 22.574 ( -0.307 0.196 23.183) 23.186 ======================= Grid point 420 (215/246) ======================= q-point: ( 0.44 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 1.358 -2.591 3.086) 4.252 2.671 ( -2.611 1.329 4.093) 5.033 2.755 ( -6.316 -2.745 -10.331) 12.416 2.838 ( -4.172 -0.253 -13.595) 14.223 3.528 ( 17.941 -26.878 -25.187) 40.972 3.702 ( -35.559 -28.895 0.536) 45.821 4.587 ( -14.702 -17.120 8.737) 24.198 4.835 ( 9.257 -19.922 -23.013) 31.814 5.569 ( 3.183 7.173 -2.549) 8.251 5.619 ( -6.668 4.027 0.630) 7.815 6.639 ( 17.444 -13.394 26.234) 34.233 7.394 ( 5.470 13.104 -0.302) 14.204 7.435 ( -2.252 14.178 5.542) 15.388 7.571 ( -5.566 -19.360 -9.030) 22.076 8.239 ( 2.987 4.729 3.734) 6.725 8.485 ( -9.578 1.549 -13.519) 16.640 8.932 ( 8.352 8.057 14.395) 18.490 9.118 ( 4.556 6.564 4.804) 9.323 10.071 ( 9.840 -0.564 13.425) 16.655 10.071 ( 8.225 -1.802 14.534) 16.797 10.980 ( -18.239 -4.788 -24.581) 30.981 11.087 ( -16.637 -3.407 -28.096) 32.830 12.053 ( -1.454 1.524 6.983) 7.294 12.317 ( -0.936 2.199 -8.518) 8.847 13.908 ( 11.868 -0.796 7.701) 14.170 14.008 ( -0.612 0.600 8.417) 8.460 14.862 ( 5.001 -6.930 8.851) 12.304 15.154 ( 2.816 2.928 -0.407) 4.083 15.320 ( -10.118 -31.600 -1.305) 33.206 15.511 ( 0.593 -24.581 -12.897) 27.765 16.302 ( 12.629 -0.406 19.452) 23.195 17.127 ( -12.637 -3.371 -18.261) 22.461 19.953 ( 6.100 -1.736 9.969) 11.815 20.631 ( -13.652 -8.879 -21.091) 26.647 22.695 ( -2.631 0.615 15.823) 16.052 22.722 ( 14.537 -0.092 2.836) 14.811 ======================= Grid point 422 (216/246) ======================= q-point: (-0.44 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -11.756 0.536 8.858) 14.730 2.639 ( -0.110 -2.522 2.521) 3.568 2.684 ( -3.368 -4.619 2.526) 6.250 2.778 ( 6.108 -2.040 -6.468) 9.127 3.129 ( -27.436 -28.554 11.572) 41.255 3.833 ( 25.475 -24.373 -10.840) 36.885 4.409 ( -13.258 -20.421 16.000) 29.134 4.863 ( 9.646 -15.121 -15.982) 24.023 5.496 ( -7.891 2.401 3.906) 9.126 5.610 ( 0.852 8.899 2.320) 9.236 7.045 ( -9.466 -18.516 7.560) 22.127 7.222 ( -1.252 -5.633 -1.618) 5.993 7.420 ( -0.039 1.013 0.643) 1.201 7.554 ( 6.733 11.809 -4.094) 14.197 8.261 ( -6.086 5.446 3.349) 8.827 8.320 ( -0.327 3.072 0.877) 3.211 9.023 ( -5.916 6.149 4.681) 9.732 9.247 ( 8.430 6.832 -6.213) 12.503 10.172 ( -11.251 -4.510 2.812) 12.443 10.419 ( 10.588 -7.883 -2.032) 13.355 10.514 ( -10.194 2.744 11.147) 15.352 10.799 ( 7.103 -2.044 -9.132) 11.749 12.059 ( -5.316 0.935 8.174) 9.795 12.315 ( 8.398 3.646 -9.443) 13.153 13.968 ( -7.015 2.450 0.964) 7.492 14.143 ( 7.906 2.745 -1.530) 8.508 14.740 ( -29.788 -28.481 19.094) 45.421 15.078 ( -4.491 0.741 5.683) 7.281 15.155 ( -1.594 -0.134 -0.562) 1.696 15.798 ( 32.866 -34.718 -24.139) 53.555 16.605 ( -7.236 -4.864 4.965) 10.034 16.825 ( 7.122 0.343 -4.266) 8.309 20.160 ( -3.992 -6.777 4.224) 8.928 20.320 ( 5.727 -5.081 -5.280) 9.300 22.676 ( -8.198 2.090 6.571) 10.712 22.944 ( 9.617 -1.958 -7.122) 12.126 ======================= Grid point 423 (217/246) ======================= q-point: (-0.33 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -10.548 -6.343 16.202) 20.347 2.539 ( -10.052 -6.882 -1.066) 12.229 2.660 ( -2.620 -5.366 19.644) 20.531 2.855 ( -0.802 -3.088 3.434) 4.688 3.083 ( 13.545 -7.330 18.767) 24.277 4.268 ( 16.059 -10.260 8.618) 20.914 4.345 ( -4.756 -22.674 19.146) 30.055 4.903 ( 2.742 -2.963 -7.552) 8.563 5.388 ( -5.369 -6.108 2.417) 8.484 5.688 ( 5.229 3.333 6.424) 8.929 6.559 ( -20.541 -12.366 -18.804) 30.470 7.200 ( -8.132 12.929 4.727) 15.989 7.541 ( 1.859 -7.009 0.811) 7.296 7.645 ( 6.109 -0.148 -1.468) 6.284 8.095 ( -12.898 3.087 1.982) 13.410 8.457 ( 7.700 -2.231 16.164) 18.043 8.841 ( -10.371 5.637 -9.706) 15.282 9.274 ( 0.832 7.750 -11.804) 14.145 9.606 ( -32.133 4.032 -11.090) 34.231 10.435 ( 6.244 -4.355 -13.996) 15.933 10.871 ( 12.622 -5.307 30.859) 33.761 11.208 ( 25.530 -0.944 21.674) 33.503 12.052 ( 1.087 1.332 5.291) 5.563 12.399 ( 5.076 5.949 -6.262) 10.018 13.770 ( -11.767 -4.378 -7.323) 14.535 14.053 ( -10.782 -6.604 -7.011) 14.457 14.497 ( -8.819 -11.145 17.085) 22.224 15.007 ( -6.544 1.875 3.797) 7.795 15.140 ( -1.003 -3.137 0.399) 3.318 16.047 ( -3.543 -9.572 -15.366) 18.447 16.469 ( 20.560 -28.596 -19.256) 40.140 17.136 ( 9.428 -3.155 15.658) 18.548 19.985 ( -2.667 -1.586 -7.466) 8.085 20.649 ( 13.401 -6.834 17.349) 22.962 22.478 ( -13.395 4.401 -4.772) 14.885 22.977 ( 3.324 -2.614 -15.143) 15.723 ======================= Grid point 424 (218/246) ======================= q-point: (-0.22 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -17.772 -17.310 16.038) 29.542 2.317 ( -9.368 -2.504 -6.031) 11.420 2.931 ( 9.011 6.182 19.657) 22.490 2.983 ( 7.948 6.616 8.459) 13.361 3.618 ( 20.209 -4.776 26.351) 33.550 4.322 ( -8.932 -19.156 24.561) 32.404 4.686 ( 2.093 5.094 23.213) 23.858 4.878 ( 1.933 5.745 1.473) 6.238 5.367 ( 2.647 -15.625 1.672) 15.936 5.856 ( 2.497 -10.599 -3.758) 11.519 6.169 ( -0.094 0.770 -4.687) 4.751 7.077 ( -7.307 12.279 3.208) 14.644 7.483 ( -3.869 -1.960 -6.586) 7.886 7.682 ( -1.716 -5.389 -1.173) 5.776 7.821 ( -14.095 3.304 -1.597) 14.565 8.474 ( -14.363 3.669 -21.810) 26.371 8.773 ( -13.989 -1.753 14.062) 19.912 8.928 ( -10.279 9.120 14.375) 19.886 9.127 ( -4.805 5.941 -23.509) 24.719 10.454 ( 6.881 -3.964 -15.424) 17.348 11.385 ( 16.284 -8.233 27.729) 33.194 11.875 ( 20.297 4.173 10.483) 23.223 12.304 ( 17.224 3.946 19.970) 26.665 12.394 ( 2.262 5.984 -3.412) 7.250 13.417 ( -15.587 -19.231 -5.980) 25.467 13.886 ( -2.453 -2.909 -1.864) 4.238 14.494 ( -2.701 -2.104 5.009) 6.067 14.915 ( -5.035 0.207 1.774) 5.342 15.100 ( -3.572 -5.359 0.011) 6.441 15.680 ( -15.978 -3.134 -14.720) 21.950 16.842 ( 27.321 -31.603 -17.973) 45.478 17.343 ( -0.834 -8.850 13.944) 16.537 20.000 ( 7.400 4.321 -0.317) 8.575 21.039 ( 10.841 -6.310 20.715) 24.217 22.092 ( -18.864 7.438 -13.264) 24.231 22.845 ( -1.881 -2.651 -20.489) 20.745 ======================= Grid point 425 (219/246) ======================= q-point: (-0.11 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -11.752 -10.734 11.960) 19.909 2.130 ( -4.197 -4.162 -5.551) 8.108 3.185 ( -1.717 10.222 20.396) 22.879 3.240 ( 16.640 15.601 -3.959) 23.151 4.076 ( 1.708 -15.525 22.803) 27.639 4.413 ( 3.753 -12.149 12.652) 17.938 4.770 ( -0.599 13.216 12.356) 18.102 5.043 ( -0.503 0.994 24.378) 24.404 5.413 ( -1.856 -5.405 7.160) 9.161 5.894 ( 15.142 -8.843 -3.527) 17.887 6.450 ( 16.617 0.140 9.713) 19.248 6.961 ( -7.535 8.743 0.318) 11.546 7.331 ( -6.960 -0.738 -1.832) 7.235 7.504 ( -11.847 4.016 -1.258) 12.572 7.669 ( -0.062 -3.643 -8.124) 8.904 7.963 ( -18.402 1.892 -22.029) 28.766 8.254 ( -25.550 16.238 5.520) 30.773 8.781 ( -8.277 6.172 -28.327) 30.150 9.325 ( 10.415 -5.363 30.051) 32.253 10.416 ( 2.284 -3.801 -17.634) 18.183 11.861 ( 12.446 -5.216 15.671) 20.680 12.146 ( 6.992 3.395 -0.242) 7.776 12.348 ( 2.705 3.091 2.737) 4.935 12.793 ( 4.334 7.185 -7.796) 11.453 13.414 ( 17.870 -23.579 27.279) 40.242 13.906 ( 4.204 -1.064 2.880) 5.205 14.428 ( -6.177 -3.287 -2.852) 7.555 14.845 ( -4.888 1.156 0.683) 5.069 15.013 ( -2.262 -6.142 -4.126) 7.737 15.266 ( -14.706 -5.018 -13.078) 20.310 17.172 ( 21.004 -26.059 -15.457) 36.867 17.328 ( -10.824 -15.008 11.898) 22.000 20.245 ( 14.833 8.298 6.708) 18.272 21.330 ( -1.779 -1.751 9.780) 10.094 21.628 ( -13.080 7.869 -3.367) 15.631 22.598 ( -5.348 -2.774 -22.994) 23.771 ======================= Grid point 426 (220/246) ======================= q-point: ( 0.00 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 0.342 3.844 -0.337) 3.874 2.052 ( 4.819 8.679 -2.439) 10.222 3.486 ( -1.856 6.164 12.420) 13.989 3.597 ( -12.485 -16.264 11.065) 23.299 3.889 ( 14.853 10.158 4.713) 18.601 4.238 ( 3.669 -12.331 -17.735) 21.910 5.101 ( -2.266 8.930 6.437) 11.239 5.139 ( 0.528 3.966 4.326) 5.893 5.762 ( 15.589 1.959 26.385) 30.709 6.111 ( 10.138 -3.744 -2.824) 11.170 6.724 ( 2.064 -0.477 1.920) 2.859 6.836 ( -4.519 -0.340 -6.219) 7.695 7.256 ( -9.725 -2.162 5.183) 11.230 7.389 ( 6.409 -6.731 -5.377) 10.738 7.592 ( -7.027 9.474 0.130) 11.797 7.671 ( -3.890 10.615 -8.991) 14.445 8.303 ( -13.093 15.404 10.733) 22.889 8.599 ( 3.230 5.465 -16.424) 17.608 9.622 ( 7.600 -5.665 28.380) 29.921 10.112 ( -6.728 -8.995 -18.825) 21.922 12.068 ( 4.626 1.274 6.021) 7.699 12.225 ( 0.203 2.282 -8.894) 9.184 12.479 ( 5.093 -1.021 2.250) 5.661 12.605 ( -1.658 -4.709 -8.570) 9.918 13.874 ( 20.442 -3.459 12.058) 23.984 14.034 ( -6.807 -4.141 -0.881) 8.016 14.221 ( 9.522 -0.263 8.334) 12.656 14.536 ( -20.003 -4.671 -15.531) 25.751 14.969 ( 5.376 2.248 0.011) 5.827 14.989 ( -3.911 4.113 -1.542) 5.882 16.616 ( -24.352 -28.845 13.376) 40.050 16.898 ( 22.206 -28.693 -13.788) 38.814 20.860 ( 18.133 10.544 12.046) 24.189 21.130 ( -17.502 9.313 -12.762) 23.578 21.766 ( 6.235 -1.491 18.389) 19.474 22.187 ( -9.413 -6.324 -20.758) 23.654 ======================= Grid point 427 (221/246) ======================= q-point: ( 0.11 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 4.628 -4.932 -4.863) 8.330 2.186 ( 10.189 11.561 -4.792) 16.138 3.376 ( -13.870 -14.080 6.433) 20.785 3.452 ( -14.272 15.408 9.604) 23.093 4.083 ( 6.590 -9.090 -11.798) 16.287 4.279 ( 12.544 -8.036 -8.767) 17.286 5.152 ( 1.466 2.634 0.102) 3.016 5.161 ( -1.050 10.548 2.616) 10.918 5.848 ( -11.177 -4.830 -26.488) 29.152 5.971 ( -10.697 -0.854 -13.249) 17.050 6.443 ( -16.092 -2.612 2.320) 16.467 7.035 ( 10.863 -0.603 3.002) 11.286 7.164 ( -2.864 -2.262 7.672) 8.496 7.479 ( 2.998 -1.946 2.141) 4.167 7.674 ( 13.901 10.163 8.912) 19.389 7.733 ( 8.949 11.292 4.130) 14.989 8.323 ( 1.427 6.872 22.725) 23.784 8.738 ( 19.091 10.645 -7.328) 23.054 9.763 ( -11.222 -8.773 -22.385) 26.533 9.920 ( 0.879 -3.573 23.466) 23.753 12.099 ( -2.504 2.728 -6.531) 7.508 12.163 ( -1.030 -0.650 -4.506) 4.668 12.491 ( -1.383 -0.943 -7.314) 7.503 12.619 ( 7.467 -4.584 1.711) 8.927 13.611 ( -25.362 -8.851 -17.453) 32.034 14.002 ( -16.017 -5.446 -10.366) 19.841 14.263 ( 11.892 -0.471 7.304) 13.964 14.644 ( 10.812 -6.275 14.620) 19.236 14.965 ( 3.012 3.390 -2.375) 5.119 15.148 ( 14.062 6.934 1.247) 15.728 16.229 ( -27.019 -31.904 14.186) 44.149 17.162 ( 15.372 -23.414 -10.922) 30.063 20.663 ( -18.628 12.658 -12.504) 25.760 21.295 ( 15.176 5.109 9.808) 18.778 21.847 ( -7.840 -4.840 -16.003) 18.466 22.061 ( 5.992 -2.462 22.070) 23.002 ======================= Grid point 428 (222/246) ======================= q-point: ( 0.22 0.30 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 10.822 -15.060 -9.989) 21.064 2.348 ( 9.678 7.632 -3.990) 12.955 3.149 ( -12.760 -10.544 1.267) 16.601 3.180 ( -18.022 10.520 4.455) 21.338 4.020 ( -1.571 -8.265 -20.957) 22.582 4.397 ( 5.391 -11.296 -11.340) 16.890 4.832 ( -23.640 -0.606 -18.155) 29.813 5.036 ( -17.010 -9.348 -18.597) 26.881 5.571 ( 4.212 -0.217 -15.644) 16.202 5.675 ( 0.984 3.028 -1.664) 3.592 6.184 ( -12.243 1.592 1.935) 12.496 7.165 ( 2.311 -13.373 5.898) 14.797 7.312 ( 9.150 10.039 3.336) 13.986 7.565 ( 2.103 2.256 6.365) 7.072 7.945 ( 11.800 9.428 1.600) 15.188 8.168 ( 20.539 7.659 18.526) 28.701 8.632 ( 6.525 2.077 27.121) 27.972 9.042 ( 12.072 -3.527 -14.366) 19.094 9.440 ( 1.530 5.488 -13.277) 14.447 10.035 ( -6.086 -1.546 19.298) 20.294 11.843 ( -9.489 -3.242 -28.222) 29.951 12.033 ( -9.602 4.683 -1.678) 10.814 12.453 ( -1.213 0.581 -1.370) 1.920 12.801 ( -19.479 6.092 -9.636) 22.570 12.934 ( 6.119 -25.345 -10.445) 28.087 13.742 ( -8.479 -7.782 3.527) 12.038 14.498 ( 7.123 0.308 2.774) 7.650 14.840 ( 3.015 -5.351 7.833) 9.954 15.053 ( 7.086 -0.793 -2.080) 7.427 15.509 ( 18.270 9.202 5.569) 21.201 15.826 ( -25.590 -30.728 12.818) 41.992 17.298 ( 6.767 -18.342 -9.194) 21.605 20.249 ( -14.974 11.216 -9.242) 20.867 21.269 ( -11.444 -10.472 -18.273) 23.969 21.940 ( 16.126 4.718 11.574) 20.403 22.334 ( 3.714 -2.378 22.404) 22.834 ======================= Grid point 429 (223/246) ======================= q-point: ( 0.33 0.30 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 16.760 -23.469 -13.305) 31.760 2.458 ( 2.251 -1.599 0.680) 2.843 2.878 ( -13.355 8.277 1.193) 15.758 2.952 ( -7.763 -10.797 -2.569) 13.544 3.587 ( -16.635 -1.324 -36.585) 40.211 4.024 ( -37.903 -14.623 -20.041) 45.300 4.401 ( 8.048 -20.606 -26.565) 34.570 4.551 ( -19.094 -16.119 -2.615) 25.124 5.652 ( 9.010 7.780 -5.185) 12.984 5.793 ( 3.049 3.708 3.955) 6.220 6.106 ( 2.511 2.502 9.338) 9.988 7.236 ( 0.625 -19.155 -0.324) 19.168 7.488 ( 7.675 10.205 0.986) 12.808 7.642 ( -0.128 6.285 7.161) 9.528 8.181 ( 10.204 5.495 2.609) 11.879 8.633 ( 9.793 1.580 3.440) 10.499 8.790 ( -0.307 -0.137 3.515) 3.531 9.035 ( 4.836 -1.508 9.957) 11.172 9.696 ( 20.073 7.728 -1.846) 21.589 10.033 ( -8.189 -0.771 17.586) 19.415 11.366 ( -12.357 -5.074 -33.857) 36.397 11.658 ( -25.386 -2.096 -19.407) 32.023 12.175 ( -11.430 0.943 -5.650) 12.785 12.442 ( -3.407 -0.166 -4.247) 5.447 13.373 ( 22.878 -12.725 10.427) 28.179 13.730 ( 0.244 -10.782 13.477) 17.261 14.590 ( 3.801 -2.428 -4.440) 6.329 14.901 ( -3.217 -11.014 4.060) 12.171 15.171 ( 5.704 1.467 -1.089) 5.990 15.431 ( -18.731 -17.929 5.109) 26.427 15.939 ( 16.445 5.369 11.579) 20.817 17.259 ( -2.981 -12.542 -10.227) 16.455 19.973 ( -7.350 6.062 -4.274) 10.442 20.845 ( -14.664 -12.142 -20.699) 28.123 22.356 ( 16.052 0.906 10.463) 19.183 22.551 ( 1.224 -2.377 19.606) 19.787 ======================= Grid point 430 (224/246) ======================= q-point: ( 0.44 0.30 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -8.084 -13.371 8.966) 18.015 2.542 ( 16.458 -20.980 -10.287) 28.580 2.696 ( -7.516 0.379 0.570) 7.547 2.819 ( -2.913 -2.216 -7.979) 8.778 3.052 ( -6.216 -13.851 -29.847) 33.486 3.143 ( -31.191 -18.912 -17.672) 40.532 4.221 ( -16.824 -17.168 6.961) 25.025 4.392 ( 11.183 -21.067 -23.110) 33.210 5.774 ( 5.251 10.434 -0.919) 11.717 5.793 ( -4.590 10.397 4.143) 12.097 6.387 ( 12.064 -9.364 17.261) 23.046 7.111 ( -8.369 -22.455 -12.395) 26.980 7.635 ( 6.160 8.727 1.119) 10.740 7.665 ( -2.348 8.305 4.928) 9.939 8.340 ( 3.478 4.913 3.495) 6.961 8.512 ( -5.178 1.031 -7.442) 9.125 9.057 ( 7.263 3.575 12.103) 14.560 9.197 ( 4.087 0.686 5.665) 7.019 10.021 ( 11.068 -2.630 3.495) 11.901 10.052 ( -0.510 -1.719 13.233) 13.354 10.884 ( -13.555 -3.779 -23.400) 27.305 11.006 ( -17.567 -4.189 -23.645) 29.753 12.097 ( -1.914 2.729 6.733) 7.513 12.341 ( -0.820 -0.029 -8.078) 8.119 13.847 ( 12.474 -6.106 17.340) 22.216 13.953 ( 9.112 -7.844 13.791) 18.297 14.591 ( -3.479 -15.095 -4.793) 16.215 14.715 ( -5.913 -22.983 -11.434) 26.342 15.233 ( 1.342 3.305 0.900) 3.679 15.261 ( -2.341 0.395 -0.133) 2.377 16.334 ( 12.392 3.276 16.665) 21.024 17.028 ( -10.329 -6.404 -13.754) 18.354 19.921 ( 2.123 -1.081 3.371) 4.128 20.420 ( -11.990 -11.042 -19.320) 25.277 22.676 ( 2.024 -2.166 11.008) 11.401 22.692 ( 8.575 -2.492 5.829) 10.663 ======================= Grid point 432 (225/246) ======================= q-point: (-0.44 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -21.509 -28.423 16.879) 39.439 2.474 ( -10.536 1.034 4.030) 11.327 2.592 ( -1.688 -3.845 -1.822) 4.577 2.726 ( 6.255 -3.079 -3.173) 7.660 2.774 ( -1.976 -6.150 0.331) 6.468 3.194 ( 30.693 -34.455 -15.712) 48.745 4.037 ( -10.153 -14.613 10.866) 20.849 4.475 ( 14.778 -19.556 -17.671) 30.217 5.685 ( -10.342 12.291 6.793) 17.441 5.839 ( 0.683 11.055 0.821) 11.106 6.671 ( -8.304 -16.243 4.317) 18.747 6.864 ( 6.504 -19.864 -3.451) 21.184 7.600 ( -7.099 9.068 3.938) 12.171 7.744 ( 4.282 6.519 -1.947) 8.039 8.364 ( -7.921 4.141 1.633) 9.086 8.382 ( -2.745 3.149 4.722) 6.305 9.131 ( -5.312 3.605 4.044) 7.587 9.321 ( 7.393 -0.137 -4.569) 8.692 10.076 ( -7.221 -4.466 0.043) 8.491 10.233 ( 7.651 -9.245 -1.853) 12.142 10.572 ( -5.292 2.687 7.382) 9.472 10.753 ( 5.435 -2.367 -6.035) 8.459 12.097 ( -4.426 2.730 7.436) 9.074 12.356 ( 9.933 0.314 -9.945) 14.059 14.035 ( -8.223 3.621 -0.332) 8.991 14.166 ( -3.264 -14.470 24.770) 28.873 14.204 ( -11.070 -6.123 -10.369) 16.357 14.915 ( 26.804 -30.285 -18.165) 44.335 15.205 ( -4.577 6.169 1.334) 7.796 15.281 ( 4.943 -1.975 -0.860) 5.392 16.532 ( -13.673 -2.217 7.147) 15.587 16.808 ( 6.535 -2.343 -2.432) 7.356 20.023 ( -2.805 -6.001 2.747) 7.172 20.187 ( 7.287 -7.409 -6.285) 12.145 22.685 ( -5.289 -0.820 4.063) 6.720 22.872 ( 7.385 -4.783 -5.015) 10.127 ======================= Grid point 433 (226/246) ======================= q-point: (-0.33 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -14.927 -20.346 12.782) 28.287 2.473 ( -4.477 -1.317 1.310) 4.847 2.659 ( 4.556 2.642 23.525) 24.107 2.839 ( 6.844 -0.756 6.428) 9.420 2.981 ( 16.392 -4.293 15.048) 22.663 3.802 ( 36.398 -29.889 -0.348) 47.098 3.980 ( -4.799 -12.728 11.869) 18.053 4.661 ( 15.196 -15.606 -11.267) 24.523 5.517 ( -12.878 12.677 7.918) 19.729 5.820 ( -3.685 6.947 2.249) 8.179 6.338 ( -11.867 -7.509 -11.527) 18.168 7.121 ( 7.046 -21.440 9.346) 24.426 7.467 ( -9.134 9.651 3.094) 13.644 7.763 ( 0.176 4.218 -4.237) 5.981 8.170 ( -13.883 3.851 3.593) 14.849 8.411 ( -0.357 -2.038 13.305) 13.465 8.962 ( -10.652 5.539 -7.971) 14.411 9.349 ( 1.618 -0.864 -12.166) 12.303 9.721 ( -21.832 6.975 -6.583) 23.846 10.309 ( 6.109 -8.132 -8.835) 13.472 10.788 ( 10.539 -1.370 21.867) 24.312 11.160 ( 26.778 -3.941 23.670) 35.956 12.104 ( 1.846 3.770 3.570) 5.511 12.479 ( 8.412 1.396 -7.914) 11.634 13.625 ( -21.004 -7.821 -12.646) 25.734 13.938 ( -6.447 -2.201 -4.670) 8.259 14.405 ( 4.397 -0.772 10.337) 11.260 15.060 ( 0.136 -3.533 -8.346) 9.064 15.124 ( -6.214 5.023 3.931) 8.905 15.574 ( 27.198 -28.496 -10.089) 40.664 16.155 ( -17.863 -3.898 -8.517) 20.170 17.009 ( 3.294 -9.349 12.791) 16.182 19.967 ( 2.824 0.206 -2.654) 3.881 20.484 ( 14.785 -8.905 12.463) 21.289 22.534 ( -9.839 1.484 -6.044) 11.642 22.891 ( 2.039 -5.620 -12.654) 13.995 ======================= Grid point 434 (227/246) ======================= q-point: (-0.22 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -5.073 -8.240 9.100) 13.284 2.317 ( -9.750 2.316 -1.088) 10.080 2.997 ( 10.231 -0.637 18.379) 21.045 3.120 ( 14.036 3.148 11.483) 18.405 3.545 ( 18.676 -1.429 24.700) 30.999 3.975 ( -1.327 -10.632 16.368) 19.563 4.588 ( 34.542 -17.658 13.812) 41.179 4.808 ( 7.400 -8.091 -6.594) 12.795 5.336 ( -12.714 10.876 9.395) 19.188 5.719 ( -6.429 -2.226 -1.927) 7.071 6.207 ( 5.571 2.857 -1.120) 6.360 7.215 ( -0.767 -16.758 1.311) 16.826 7.319 ( -8.367 9.006 2.781) 12.604 7.675 ( -6.242 0.805 -3.895) 7.402 7.930 ( -12.583 6.316 2.904) 14.376 8.542 ( -7.493 -0.622 -8.374) 11.254 8.653 ( -5.789 -2.339 11.371) 12.973 9.151 ( -9.920 0.605 -19.650) 22.021 9.277 ( -17.879 15.925 1.602) 23.997 10.343 ( 5.126 -7.297 -10.906) 14.087 11.260 ( 17.565 -2.443 25.605) 31.147 11.934 ( 26.324 -0.203 16.187) 30.904 12.295 ( 16.296 -3.815 17.434) 24.167 12.511 ( 0.986 4.044 -6.927) 8.082 13.157 ( -14.012 -2.774 -17.418) 22.526 13.837 ( 0.078 -2.211 -4.355) 4.885 14.493 ( -1.154 1.432 2.989) 3.509 14.968 ( -4.083 2.926 -2.249) 5.503 15.017 ( -5.690 -1.545 -0.377) 5.908 15.634 ( -18.082 -0.374 -6.494) 19.216 16.126 ( 28.116 -35.351 -16.057) 47.937 17.071 ( -7.744 -17.360 12.676) 22.848 20.117 ( 11.743 6.966 3.657) 14.135 20.884 ( 13.918 -8.489 17.123) 23.643 22.216 ( -14.754 4.994 -13.546) 20.642 22.758 ( -2.900 -5.744 -17.849) 18.973 ======================= Grid point 435 (228/246) ======================= q-point: (-0.11 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 2.019 2.800 3.591) 4.981 2.135 ( -7.823 4.693 -0.037) 9.123 3.306 ( 8.646 -1.030 12.480) 15.217 3.508 ( 13.629 1.371 15.956) 21.029 3.731 ( -4.634 -6.766 4.137) 9.186 4.250 ( 6.295 -2.061 6.156) 9.042 4.963 ( 8.968 0.771 16.113) 18.457 5.139 ( 0.064 10.481 4.453) 11.388 5.286 ( 7.517 -7.245 18.626) 21.352 5.741 ( 14.104 -4.155 5.879) 15.835 6.449 ( 15.300 0.196 3.531) 15.704 7.102 ( -10.995 1.511 -1.734) 11.233 7.259 ( 1.638 -4.065 -0.051) 4.383 7.492 ( -9.698 -2.617 -0.416) 10.053 7.747 ( -8.223 8.929 -0.212) 12.140 8.056 ( -18.386 7.290 -22.333) 29.832 8.581 ( -19.454 12.315 6.209) 23.846 8.828 ( -6.904 -1.344 -22.194) 23.282 9.244 ( 5.525 -0.394 25.626) 26.218 10.303 ( 0.252 -7.692 -13.798) 15.799 11.780 ( 15.459 -1.294 18.791) 24.367 12.223 ( 7.716 4.335 -4.632) 9.989 12.441 ( -1.880 4.613 -3.456) 6.062 12.740 ( -5.835 -17.188 -2.805) 18.367 13.169 ( 33.037 6.205 17.877) 38.073 13.879 ( 5.610 -1.658 1.917) 6.156 14.389 ( -8.894 0.029 -4.635) 10.030 14.892 ( -5.922 -4.874 -7.638) 10.824 14.913 ( -0.771 3.902 1.756) 4.348 15.215 ( -17.688 1.313 -5.491) 18.567 16.542 ( 27.128 -33.586 -15.821) 45.982 16.923 ( -17.694 -23.778 12.337) 32.104 20.442 ( 16.352 10.590 8.737) 21.351 21.247 ( 7.908 -5.731 14.915) 17.828 21.798 ( -15.115 8.223 -12.028) 20.994 22.509 ( -6.785 -5.873 -20.353) 22.244 ======================= Grid point 436 (229/246) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -8.281 12.156 5.891) 15.845 2.339 ( 11.020 15.648 -7.256) 20.468 3.150 ( -11.183 -18.609 15.731) 26.811 3.395 ( 15.396 -16.532 -5.099) 23.159 4.146 ( 1.375 11.587 -0.407) 11.676 4.226 ( -0.875 7.425 -7.865) 10.852 5.195 ( 6.082 1.569 7.379) 9.690 5.225 ( -4.012 2.289 4.573) 6.500 5.797 ( 17.075 2.342 18.153) 25.031 6.007 ( 8.833 -5.987 1.467) 10.771 6.755 ( 8.498 3.777 2.782) 9.707 6.844 ( -10.660 1.233 -5.164) 11.909 7.148 ( -12.927 -6.515 -0.577) 14.487 7.197 ( 6.733 -9.875 -4.320) 12.708 7.836 ( -6.109 11.401 2.566) 13.186 7.905 ( -5.157 9.145 -5.528) 11.865 8.610 ( -9.867 13.064 2.873) 16.622 8.691 ( 8.059 3.956 -4.895) 10.225 9.506 ( 6.192 -3.832 20.787) 22.025 9.863 ( -9.053 -14.637 -13.499) 21.873 12.135 ( 5.096 5.032 5.975) 9.327 12.273 ( -0.748 1.796 -7.747) 7.988 12.462 ( 1.822 -0.965 -1.791) 2.731 12.496 ( 2.244 -5.053 -3.091) 6.334 13.878 ( 15.459 2.954 7.514) 17.440 13.990 ( -2.831 -0.893 -0.383) 2.994 14.233 ( 1.934 1.873 3.504) 4.419 14.422 ( -17.566 -5.834 -11.021) 21.542 15.092 ( -9.016 9.917 3.418) 13.832 15.175 ( 11.151 13.668 -4.365) 18.172 16.005 ( -25.389 -28.312 11.594) 39.757 16.264 ( 25.874 -31.192 -13.265) 42.643 21.078 ( 15.315 10.172 11.537) 21.705 21.281 ( -6.097 4.067 -4.090) 8.393 21.748 ( 0.893 0.971 5.782) 5.930 22.028 ( -10.622 -8.773 -17.187) 22.027 ======================= Grid point 437 (230/246) ======================= q-point: ( 0.11 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -7.261 8.076 1.938) 11.032 2.446 ( 4.752 8.768 -5.064) 11.185 3.029 ( -8.877 -10.959 4.575) 14.827 3.612 ( 13.711 -19.328 -12.088) 26.603 3.876 ( -17.381 13.718 -3.282) 22.384 4.316 ( 2.534 0.409 0.359) 2.592 5.200 ( 0.390 4.810 -6.908) 8.427 5.380 ( 6.507 7.603 4.976) 11.176 5.734 ( -18.388 -5.144 -30.551) 36.027 5.901 ( -11.804 -5.802 -11.385) 17.396 6.468 ( -14.521 5.383 1.969) 15.611 6.886 ( -5.254 -11.150 4.376) 13.079 7.190 ( 14.107 3.604 6.290) 15.861 7.397 ( 11.447 -5.179 1.716) 12.681 7.896 ( 8.965 10.534 12.469) 18.622 7.992 ( 9.664 9.646 6.108) 14.958 8.479 ( -4.592 9.680 7.688) 13.187 8.877 ( 10.682 0.941 -6.341) 12.457 9.595 ( -4.992 -5.019 -10.636) 12.776 9.802 ( 5.381 -7.732 18.656) 20.899 12.157 ( -4.330 3.129 -12.712) 13.789 12.205 ( 0.471 3.958 4.033) 5.670 12.455 ( -1.091 -3.163 -4.795) 5.847 12.501 ( 2.141 -5.542 -3.624) 6.960 13.549 ( -28.388 2.642 -11.125) 30.605 13.863 ( -19.137 -7.971 -5.198) 21.373 14.301 ( 10.367 3.762 7.831) 13.526 14.524 ( 9.544 -5.692 12.727) 16.896 15.005 ( -1.814 3.118 1.573) 3.935 15.411 ( 10.710 8.141 -0.071) 13.454 15.651 ( -14.557 -13.670 6.070) 20.871 16.612 ( 20.141 -28.909 -11.056) 36.927 20.931 ( -16.735 12.963 -13.940) 25.346 21.332 ( -0.122 -2.710 -3.369) 4.325 21.789 ( 1.115 0.410 -1.012) 1.561 21.981 ( 7.702 -5.146 17.832) 20.094 ======================= Grid point 438 (231/246) ======================= q-point: ( 0.22 0.40 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -3.629 -0.154 -3.633) 5.137 2.417 ( -7.162 -7.473 2.930) 10.758 2.922 ( -0.522 1.297 -7.878) 8.001 3.447 ( -16.346 3.447 -14.370) 22.035 3.757 ( 4.723 -6.475 -4.986) 9.438 4.249 ( -9.269 -8.870 -3.065) 13.190 4.785 ( -25.825 -0.823 -36.705) 44.887 4.918 ( -31.301 -3.244 -32.644) 45.342 5.618 ( 10.083 3.987 -1.190) 10.908 5.726 ( 4.908 0.956 1.471) 5.212 6.283 ( -7.580 8.286 2.185) 11.441 6.847 ( -1.648 -16.383 2.372) 16.636 7.480 ( 10.451 6.117 4.086) 12.780 7.592 ( 6.949 0.222 4.156) 8.100 8.165 ( 7.653 11.304 -1.180) 13.701 8.328 ( 17.368 7.134 16.828) 25.214 8.632 ( 5.685 -1.653 19.867) 20.730 8.851 ( -0.812 -11.971 -14.476) 18.803 9.627 ( 10.301 10.162 -0.198) 14.471 9.966 ( -1.293 -5.247 12.826) 13.918 11.851 ( -11.270 4.793 -27.665) 30.254 12.153 ( -11.182 5.947 -3.793) 13.221 12.433 ( -2.793 -2.952 1.726) 4.415 12.436 ( -2.945 -20.001 -16.928) 26.368 12.972 ( -14.678 9.534 4.351) 18.035 13.522 ( -15.783 -13.522 9.572) 22.881 14.527 ( 5.765 2.269 3.789) 7.262 14.717 ( 1.147 -6.360 8.539) 10.708 15.053 ( 5.457 0.634 2.352) 5.976 15.311 ( -12.252 -17.243 7.529) 22.452 15.816 ( 18.225 20.175 -1.798) 27.247 16.845 ( 12.074 -24.812 -8.205) 28.788 20.498 ( -16.406 12.692 -13.212) 24.592 21.031 ( -14.956 -12.306 -17.972) 26.422 22.040 ( 12.676 5.085 13.072) 18.905 22.259 ( 5.781 -4.672 18.456) 19.896 ======================= Grid point 439 (232/246) ======================= q-point: ( 0.33 0.40 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 4.339 -11.698 -9.382) 15.610 2.241 ( -14.932 -18.791 8.365) 25.418 2.855 ( 0.245 3.865 -11.634) 12.262 3.031 ( -15.064 4.727 -10.619) 19.027 3.585 ( -16.923 0.786 -28.885) 33.486 3.815 ( -30.724 -7.463 -31.272) 44.471 4.059 ( -4.115 -10.272 -25.831) 28.101 4.210 ( -20.734 -15.199 -3.789) 25.985 5.800 ( 8.306 6.480 1.179) 10.601 5.889 ( 6.754 4.013 3.093) 8.443 6.222 ( -0.708 8.263 2.922) 8.793 6.819 ( -2.291 -19.954 -3.413) 20.373 7.659 ( 6.440 6.259 1.879) 9.175 7.732 ( 3.314 2.501 5.223) 6.672 8.306 ( 8.085 6.497 -0.197) 10.374 8.578 ( 0.762 -5.472 -7.940) 9.673 8.830 ( 10.795 3.037 13.148) 17.281 8.975 ( 6.382 -3.862 15.194) 16.926 9.832 ( 9.335 5.144 0.219) 10.661 9.991 ( -4.091 -3.158 9.375) 10.705 11.332 ( -15.230 2.072 -32.793) 36.217 11.573 ( -28.553 -5.989 -26.514) 39.422 12.217 ( -5.342 3.292 -1.260) 6.400 12.399 ( -3.520 -3.735 -1.121) 5.253 13.174 ( 16.593 -4.593 16.191) 23.634 13.462 ( -3.662 -14.248 22.205) 26.636 14.557 ( -1.421 -0.928 -5.230) 5.498 14.672 ( -9.279 -9.010 0.139) 12.935 15.212 ( 6.978 1.574 3.449) 7.942 15.243 ( -0.496 -2.197 5.457) 5.903 16.152 ( 15.276 14.870 4.103) 21.710 16.935 ( 3.146 -18.423 -6.375) 19.747 20.126 ( -11.648 8.739 -10.392) 17.890 20.585 ( -15.286 -12.665 -18.511) 27.142 22.375 ( 11.351 1.264 10.982) 15.844 22.486 ( 3.429 -3.596 15.765) 16.529 ======================= Grid point 440 (233/246) ======================= q-point: ( 0.44 0.40 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -16.055 -22.438 9.485) 29.175 2.012 ( 15.997 -23.968 -12.326) 31.342 2.698 ( -8.544 0.404 -4.144) 9.505 2.764 ( -5.256 -1.998 -10.962) 12.320 2.939 ( -20.339 -0.694 -27.938) 34.564 2.972 ( -18.840 -2.532 -30.818) 36.209 3.923 ( -10.102 -10.459 3.762) 15.020 4.014 ( 7.882 -14.492 -14.935) 22.253 5.939 ( 4.016 5.152 2.567) 7.019 5.976 ( -0.416 5.985 3.130) 6.767 6.302 ( 4.775 1.229 6.130) 7.867 6.679 ( -6.615 -18.055 -9.088) 21.268 7.774 ( 4.006 4.850 1.632) 6.499 7.791 ( -0.869 4.107 3.938) 5.756 8.436 ( 3.335 4.124 2.337) 5.795 8.524 ( -1.624 0.021 -2.859) 3.288 9.084 ( 5.141 -0.277 9.048) 10.411 9.155 ( 3.848 -3.853 5.928) 8.049 9.973 ( 4.754 -1.726 1.190) 5.196 10.000 ( -0.056 -2.810 4.859) 5.613 10.843 ( -12.059 -0.187 -20.292) 23.606 10.925 ( -15.870 -3.437 -20.526) 26.172 12.166 ( -1.852 3.907 3.993) 5.885 12.315 ( -1.215 -2.354 -5.090) 5.738 13.663 ( 10.539 -9.427 23.112) 27.094 13.706 ( 16.784 -12.315 15.902) 26.196 14.406 ( -9.589 -3.798 -10.305) 14.580 14.427 ( -6.845 -6.164 -13.730) 16.533 15.310 ( 1.655 4.253 4.482) 6.397 15.333 ( 2.770 3.351 2.233) 4.888 16.444 ( 8.101 7.542 11.058) 15.646 16.859 ( -5.488 -9.800 -6.609) 13.032 19.926 ( -2.514 1.999 -4.119) 5.223 20.194 ( -9.935 -10.293 -16.060) 21.507 22.626 ( 4.773 -2.117 7.575) 9.200 22.636 ( 4.526 -2.484 7.227) 8.882 ======================= Grid point 442 (234/246) ======================= q-point: (-0.44 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -9.072 -14.713 5.826) 18.240 2.329 ( 21.231 -27.671 -17.686) 39.105 2.511 ( -3.173 1.729 3.816) 5.256 2.611 ( 8.728 -5.985 3.082) 11.023 2.687 ( -0.544 -3.090 0.036) 3.138 2.707 ( 0.214 -5.410 -5.658) 7.831 3.835 ( -2.322 -4.370 2.571) 5.577 4.104 ( 13.664 -15.500 -13.583) 24.728 5.915 ( -7.410 8.548 4.357) 12.123 5.999 ( -1.037 3.588 1.611) 4.067 6.425 ( -5.004 -6.790 0.460) 8.448 6.513 ( 4.056 -12.435 -0.062) 13.080 7.756 ( -5.349 6.009 3.201) 8.658 7.835 ( 1.017 2.395 0.052) 2.602 8.429 ( -8.376 2.498 2.470) 9.083 8.446 ( -5.469 2.349 5.303) 7.972 9.165 ( -0.813 0.108 1.071) 1.349 9.257 ( 5.737 -4.905 -3.052) 8.142 10.003 ( -1.533 -2.226 -1.833) 3.266 10.072 ( 4.857 -5.825 -2.904) 8.121 10.622 ( -1.770 2.109 3.761) 4.661 10.705 ( 3.181 -2.187 -2.668) 4.692 12.169 ( -1.243 4.168 3.925) 5.858 12.331 ( 7.882 -2.550 -6.737) 10.678 13.865 ( -7.106 -6.913 4.819) 11.023 14.115 ( -5.418 3.386 -0.900) 6.452 14.205 ( 4.606 -0.873 0.430) 4.707 14.280 ( 21.685 -25.627 -14.210) 36.454 15.337 ( -2.133 5.100 1.968) 5.868 15.354 ( -1.386 4.947 0.443) 5.157 16.523 ( -14.449 1.675 8.403) 16.798 16.726 ( 0.492 -5.417 1.147) 5.559 19.931 ( 0.535 -2.493 -0.232) 2.560 20.035 ( 7.033 -6.710 -5.537) 11.187 22.667 ( -2.222 -0.393 1.692) 2.820 22.766 ( 4.649 -4.948 -2.915) 7.389 ======================= Grid point 443 (235/246) ======================= q-point: (-0.33 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 5.239 0.822 -0.126) 5.305 2.404 ( 4.166 -8.409 -5.087) 10.675 2.689 ( 3.091 -1.664 8.800) 9.474 2.783 ( 6.215 -4.716 10.819) 13.338 2.906 ( 19.909 -0.677 24.258) 31.389 3.236 ( 38.293 -20.219 16.481) 46.333 3.854 ( 3.482 1.087 -0.531) 3.686 4.319 ( 17.964 -16.776 -10.551) 26.748 5.771 ( -10.736 10.302 3.949) 15.395 5.919 ( -8.191 2.506 0.771) 8.601 6.282 ( -3.297 1.732 -2.982) 4.771 6.690 ( 5.868 -18.592 7.903) 21.037 7.648 ( -8.053 7.521 2.797) 11.368 7.806 ( -3.463 0.122 -1.740) 3.878 8.248 ( -12.919 3.628 5.483) 14.496 8.370 ( -6.975 -2.080 10.519) 12.792 9.065 ( -7.282 4.521 -8.565) 12.117 9.271 ( 0.377 -5.469 -11.146) 12.421 9.866 ( -8.970 6.425 -4.790) 12.029 10.130 ( 4.410 -8.124 -4.836) 10.432 10.816 ( 12.235 3.538 16.870) 21.138 11.050 ( 23.102 -6.331 21.944) 32.486 12.209 ( 3.691 6.151 0.390) 7.184 12.454 ( 8.925 -3.650 -6.464) 11.609 13.560 ( -10.692 2.596 -19.779) 22.634 13.897 ( -4.222 -4.096 -16.176) 17.212 14.396 ( 7.418 -0.268 9.312) 11.908 14.714 ( 22.078 -22.249 -6.065) 31.926 15.251 ( -7.259 4.734 -0.336) 8.673 15.322 ( 0.514 0.676 -1.487) 1.712 16.181 ( -21.853 6.571 1.731) 22.885 16.751 ( -6.062 -15.121 10.865) 19.581 20.006 ( 9.057 3.680 1.376) 9.872 20.293 ( 15.248 -9.163 8.344) 19.649 22.566 ( -6.217 2.192 -6.906) 9.547 22.760 ( 0.197 -6.560 -10.208) 12.136 ======================= Grid point 444 (236/246) ======================= q-point: (-0.22 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 11.383 10.364 -3.208) 15.725 2.396 ( -4.588 3.714 3.200) 6.714 2.857 ( 11.051 -11.425 2.064) 16.028 3.018 ( 3.047 -11.302 21.248) 24.259 3.627 ( 23.830 8.750 26.498) 36.696 3.935 ( 14.639 3.969 5.067) 15.991 4.214 ( 37.226 -13.529 22.447) 45.527 4.573 ( 14.447 -14.440 -4.353) 20.884 5.581 ( -11.805 10.700 3.425) 16.296 5.741 ( -9.161 2.503 0.719) 9.524 6.295 ( 5.775 6.161 0.877) 8.490 6.829 ( 3.988 -18.618 3.945) 19.445 7.496 ( -10.105 7.167 2.346) 12.609 7.668 ( -9.072 -1.475 -2.720) 9.585 8.069 ( -10.243 7.105 7.442) 14.519 8.401 ( -1.250 -8.745 15.179) 17.562 8.756 ( -13.759 7.945 -13.868) 21.090 9.079 ( -7.465 -5.987 -18.084) 20.460 9.620 ( -13.601 15.650 -0.830) 20.751 10.153 ( 2.109 -10.615 -6.342) 12.544 11.305 ( 19.669 6.538 23.299) 31.184 11.785 ( 28.011 -12.849 27.802) 41.506 12.296 ( 4.921 4.772 -1.676) 7.057 12.529 ( 4.226 -2.413 -7.650) 9.067 13.275 ( 1.419 11.818 -21.613) 24.674 13.765 ( 2.856 -5.844 -11.894) 13.557 14.543 ( 1.604 3.536 2.158) 4.442 14.893 ( 2.312 -8.516 -8.605) 12.325 15.088 ( -7.523 4.191 -0.890) 8.658 15.471 ( 19.545 -21.787 -7.586) 30.236 15.763 ( -23.033 11.625 2.905) 25.963 16.641 ( -14.855 -23.470 11.648) 30.120 20.285 ( 15.439 9.099 7.183) 19.307 20.693 ( 16.379 -9.818 13.693) 23.498 22.322 ( -10.633 5.618 -13.216) 17.869 22.615 ( -4.416 -7.668 -15.351) 17.719 ======================= Grid point 445 (237/246) ======================= q-point: (-0.11 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 12.779 15.218 -5.132) 20.524 2.306 ( -7.968 10.878 6.249) 14.861 3.117 ( 13.965 -15.017 0.013) 20.507 3.175 ( -5.017 -19.607 21.926) 29.838 3.968 ( 12.939 16.125 -5.460) 21.383 4.306 ( 4.543 4.233 4.490) 7.663 4.886 ( 17.558 -4.882 16.635) 24.675 5.082 ( 22.983 -9.971 27.852) 37.462 5.411 ( -4.637 11.955 1.829) 12.953 5.699 ( 6.345 -1.777 6.942) 9.572 6.494 ( 12.877 4.958 1.068) 13.839 6.929 ( 4.431 -13.107 0.326) 13.840 7.292 ( -11.577 3.653 -0.982) 12.179 7.434 ( -12.904 -3.181 -2.018) 13.443 7.963 ( -7.843 11.564 5.969) 15.195 8.226 ( -15.532 6.600 -16.312) 23.471 8.649 ( 0.101 -3.360 13.266) 13.685 8.774 ( -6.839 -3.809 -16.341) 18.119 9.397 ( -8.898 14.583 7.294) 18.576 10.082 ( -3.597 -13.694 -9.358) 16.972 11.834 ( 16.120 6.513 17.614) 24.749 12.327 ( 1.693 2.657 -6.516) 7.238 12.351 ( 11.334 -14.184 11.235) 21.351 12.501 ( -0.465 0.051 -5.980) 5.999 13.412 ( 23.119 13.936 -2.022) 27.070 13.824 ( 8.533 -4.243 -1.303) 9.619 14.444 ( -9.778 5.271 -5.614) 12.446 14.759 ( -7.926 -7.325 -9.824) 14.594 15.033 ( 3.198 7.477 -0.813) 8.173 15.365 ( -19.673 12.798 3.073) 23.670 15.856 ( 26.714 -29.929 -12.370) 41.981 16.376 ( -22.162 -27.920 11.750) 37.533 20.673 ( 16.951 11.423 10.645) 23.047 21.101 ( 13.196 -8.375 14.505) 21.323 21.973 ( -13.107 8.862 -14.319) 21.339 22.357 ( -8.413 -8.612 -17.760) 21.456 ======================= Grid point 446 (238/246) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -6.077 -9.089 6.203) 12.570 2.459 ( -6.077 9.089 6.203) 12.570 3.037 ( 10.283 -12.214 -4.661) 16.633 3.037 ( 10.283 12.214 -4.661) 16.633 4.306 ( -1.563 -2.083 -2.011) 3.290 4.306 ( -1.563 2.083 -2.011) 3.290 5.219 ( 3.736 -1.311 7.189) 8.208 5.219 ( 3.736 1.311 7.189) 8.208 5.882 ( 11.504 -5.604 7.561) 14.863 5.882 ( 11.504 5.604 7.561) 14.863 6.848 ( 1.305 -2.957 1.904) 3.752 6.848 ( 1.305 2.957 1.904) 3.752 7.061 ( -5.933 -0.781 -5.148) 7.894 7.061 ( -5.933 0.781 -5.148) 7.894 7.986 ( -6.814 -1.956 -1.444) 7.235 7.986 ( -6.814 1.956 -1.444) 7.235 8.753 ( 5.041 -0.211 3.459) 6.117 8.753 ( 5.041 0.211 3.459) 6.117 9.569 ( -5.416 -10.938 -0.032) 12.205 9.569 ( -5.416 10.938 -0.032) 12.205 12.248 ( 2.612 -4.681 1.407) 5.542 12.248 ( 2.612 4.681 1.407) 5.542 12.442 ( 1.782 -0.658 -4.016) 4.442 12.442 ( 1.782 0.658 -4.016) 4.442 13.952 ( 7.474 -3.176 4.089) 9.092 13.952 ( 7.474 3.176 4.089) 9.092 14.307 ( -10.826 -4.978 -4.786) 12.841 14.307 ( -10.826 4.978 -4.786) 12.841 15.362 ( -11.447 -10.994 4.169) 16.410 15.362 ( -11.447 10.994 4.169) 16.410 15.706 ( 13.843 -15.767 -6.142) 21.862 15.706 ( 13.842 15.767 -6.142) 21.862 21.256 ( 9.000 -6.068 8.486) 13.778 21.256 ( 9.000 6.068 8.486) 13.778 21.846 ( -8.870 -7.971 -10.575) 15.939 21.846 ( -8.870 7.971 -10.575) 15.939 ======================= Grid point 448 (239/246) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -12.299 -14.452 7.108) 20.265 2.331 ( -12.299 14.452 7.108) 20.265 3.168 ( 10.817 -19.354 -15.315) 26.947 3.168 ( 10.817 19.354 -15.315) 26.947 4.185 ( -10.528 -12.309 2.206) 16.347 4.185 ( -10.528 12.309 2.206) 16.347 5.358 ( 7.710 -8.309 -6.642) 13.138 5.358 ( 7.710 8.309 -6.642) 13.138 5.757 ( -17.814 -6.788 -16.494) 25.208 5.757 ( -17.814 6.788 -16.494) 25.208 6.646 ( -10.758 -11.030 2.735) 15.648 6.646 ( -10.758 11.030 2.735) 15.648 7.285 ( 15.723 -5.277 4.684) 17.233 7.285 ( 15.723 5.277 4.684) 17.233 8.053 ( 8.905 -3.372 12.004) 15.322 8.053 ( 8.905 3.372 12.004) 15.322 8.735 ( -4.109 -12.782 -7.752) 15.504 8.735 ( -4.109 12.782 -7.752) 15.504 9.630 ( 6.464 -7.277 8.588) 12.980 9.630 ( 6.464 7.277 8.588) 12.980 12.233 ( -1.400 -2.819 -3.657) 4.825 12.233 ( -1.400 2.819 -3.657) 4.825 12.419 ( -1.901 -2.083 -5.241) 5.952 12.419 ( -1.901 2.083 -5.241) 5.952 13.681 ( -25.545 -8.828 -4.850) 27.459 13.681 ( -25.545 8.828 -4.850) 27.459 14.403 ( 9.244 -5.743 10.140) 14.875 14.403 ( 9.244 5.743 10.140) 14.875 15.155 ( -10.408 -12.474 5.507) 17.154 15.155 ( -10.408 12.474 5.507) 17.154 16.012 ( 20.704 -27.677 -9.167) 35.759 16.012 ( 20.704 27.677 -9.167) 35.759 21.182 ( -12.615 -10.658 -12.977) 21.003 21.182 ( -12.615 10.658 -12.977) 21.003 21.863 ( 8.060 -5.640 12.008) 15.524 21.863 ( 8.060 5.640 12.008) 15.524 ======================= Grid point 450 (240/246) ======================= q-point: ( 0.22 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -14.068 -14.431 4.934) 20.749 2.122 ( -14.068 14.431 4.934) 20.749 3.178 ( 5.002 -17.888 -21.814) 28.651 3.178 ( 5.002 17.888 -21.814) 28.651 3.970 ( -13.909 -16.076 4.498) 21.728 3.970 ( -13.909 16.076 4.498) 21.728 4.839 ( -30.320 -4.301 -42.237) 52.171 4.839 ( -30.320 4.301 -42.237) 52.171 5.701 ( 9.425 -3.177 4.957) 11.113 5.701 ( 9.425 3.177 4.957) 11.113 6.521 ( -4.872 -14.266 0.994) 15.107 6.521 ( -4.872 14.266 0.994) 15.107 7.569 ( 10.021 -2.589 3.984) 11.091 7.569 ( 10.021 2.589 3.984) 11.091 8.369 ( 9.570 -5.894 4.942) 12.278 8.369 ( 9.570 5.894 4.942) 12.278 8.642 ( 2.616 -5.818 4.050) 7.556 8.642 ( 2.616 5.818 4.050) 7.556 9.822 ( 5.259 -8.442 6.431) 11.844 9.822 ( 5.259 8.442 6.431) 11.844 12.041 ( -12.291 -12.956 -25.600) 31.214 12.041 ( -12.291 12.956 -25.600) 31.214 12.334 ( -2.754 -5.917 3.325) 7.324 12.334 ( -2.754 5.917 3.325) 7.324 13.219 ( -18.848 -14.246 9.886) 25.612 13.219 ( -18.848 14.246 9.886) 25.612 14.596 ( 2.200 -4.687 5.476) 7.536 14.596 ( 2.200 4.687 5.476) 7.536 15.101 ( 0.912 -4.831 4.948) 6.975 15.101 ( 0.912 4.831 4.948) 6.975 16.307 ( 16.167 -26.102 -6.175) 31.318 16.307 ( 16.167 26.102 -6.175) 31.318 20.767 ( -16.601 -13.077 -16.162) 26.605 20.767 ( -16.601 13.077 -16.162) 26.605 22.151 ( 8.895 -5.498 15.145) 18.405 22.151 ( 8.895 5.498 15.145) 18.405 ======================= Grid point 452 (241/246) ======================= q-point: ( 0.33 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -11.792 -10.462 1.552) 15.840 1.894 ( -11.792 10.462 1.552) 15.840 3.001 ( -5.744 -7.032 -19.028) 21.083 3.001 ( -5.744 7.032 -19.028) 21.083 3.663 ( -21.135 -6.980 -21.815) 31.166 3.663 ( -21.135 6.980 -21.815) 31.166 3.999 ( -17.908 -3.982 -19.308) 26.634 3.999 ( -17.908 3.982 -19.308) 26.634 5.906 ( 7.412 -2.736 2.986) 8.446 5.906 ( 7.412 2.736 2.986) 8.446 6.454 ( -2.214 -14.547 -1.807) 14.825 6.454 ( -2.214 14.547 -1.807) 14.825 7.742 ( 5.293 -1.683 3.357) 6.490 7.742 ( 5.293 1.683 3.357) 6.490 8.446 ( 4.575 -6.830 -4.648) 9.444 8.446 ( 4.575 6.830 -4.648) 9.444 8.896 ( 8.117 -3.446 14.804) 17.231 8.896 ( 8.117 3.446 14.804) 17.231 9.918 ( 1.332 -3.663 3.499) 5.238 9.918 ( 1.332 3.663 3.499) 5.238 11.432 ( -22.187 -6.777 -30.813) 38.570 11.432 ( -22.187 6.777 -30.813) 38.570 12.305 ( -3.225 -4.867 0.691) 5.879 12.305 ( -3.225 4.867 0.691) 5.879 13.213 ( 2.975 -8.050 21.918) 23.538 13.213 ( 2.975 8.050 21.918) 23.538 14.563 ( -5.051 -2.087 -4.083) 6.822 14.563 ( -5.051 2.087 -4.082) 6.822 15.231 ( 5.946 -0.450 5.970) 8.438 15.231 ( 5.946 0.450 5.970) 8.438 16.526 ( 9.817 -20.121 -1.860) 22.465 16.526 ( 9.817 20.121 -1.860) 22.465 20.334 ( -14.500 -11.300 -15.174) 23.837 20.334 ( -14.500 11.300 -15.174) 23.837 22.417 ( 6.888 -2.828 12.663) 14.690 22.417 ( 6.888 2.828 12.663) 14.690 ======================= Grid point 454 (242/246) ======================= q-point: ( 0.44 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -2.280 -0.085 -3.731) 4.373 1.735 ( -2.280 0.085 -3.731) 4.373 2.725 ( -9.003 -1.876 -10.592) 14.028 2.725 ( -9.003 1.876 -10.592) 14.028 2.944 ( -19.207 -0.753 -29.585) 35.281 2.944 ( -19.207 0.753 -29.585) 35.281 3.832 ( 0.325 -2.328 -3.890) 4.545 3.832 ( 0.325 2.328 -3.890) 4.545 6.013 ( 1.826 -1.940 1.816) 3.225 6.013 ( 1.826 1.940 1.816) 3.225 6.404 ( -1.533 -8.500 -1.530) 8.772 6.404 ( -1.533 8.500 -1.530) 8.772 7.831 ( 1.470 -0.456 2.799) 3.194 7.831 ( 1.470 0.456 2.799) 3.194 8.503 ( 1.619 -2.211 0.355) 2.763 8.503 ( 1.619 2.211 0.355) 2.763 9.088 ( 3.552 -1.657 6.462) 7.558 9.088 ( 3.552 1.657 6.462) 7.558 9.961 ( 1.595 -0.682 1.255) 2.141 9.961 ( 1.595 0.682 1.255) 2.141 10.866 ( -13.494 -2.170 -19.271) 23.625 10.866 ( -13.494 2.170 -19.271) 23.625 12.249 ( -1.591 -3.826 -0.472) 4.170 12.249 ( -1.591 3.826 -0.472) 4.170 13.559 ( 13.199 -0.823 19.418) 23.494 13.559 ( 13.199 0.823 19.418) 23.494 14.374 ( -7.590 -0.273 -11.257) 13.579 14.374 ( -7.590 0.273 -11.257) 13.579 15.365 ( 3.166 -0.584 4.119) 5.228 15.365 ( 3.166 0.584 4.119) 5.228 16.639 ( 1.317 -10.772 2.462) 11.128 16.639 ( 1.317 10.772 2.462) 11.128 20.015 ( -6.837 -6.661 -10.965) 14.538 20.015 ( -6.837 6.661 -10.965) 14.538 22.605 ( 4.377 -0.285 6.964) 8.230 22.605 ( 4.377 0.285 6.964) 8.230 ======================= Grid point 458 (243/246) ======================= q-point: (-0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 15.616 -16.091 -10.502) 24.761 1.808 ( 15.616 16.091 -10.502) 24.761 2.549 ( 0.936 -1.786 1.467) 2.494 2.549 ( 0.936 1.786 1.467) 2.494 2.657 ( -1.586 -0.486 -0.467) 1.723 2.657 ( -1.586 0.486 -0.467) 1.723 3.864 ( 7.150 -7.009 -6.462) 11.917 3.864 ( 7.150 7.009 -6.462) 11.917 6.012 ( -3.296 -1.463 1.743) 4.005 6.012 ( -3.296 1.463 1.743) 4.005 6.376 ( -0.940 -1.585 1.021) 2.107 6.376 ( -0.940 1.585 1.021) 2.107 7.841 ( -2.426 -1.958 1.869) 3.635 7.841 ( -2.426 1.958 1.869) 3.635 8.465 ( -7.654 -0.630 4.172) 8.740 8.465 ( -7.654 0.630 4.172) 8.740 9.176 ( 3.815 -1.991 -1.761) 4.650 9.176 ( 3.815 1.991 -1.761) 4.650 9.996 ( 2.295 -1.637 -2.900) 4.045 9.996 ( 2.295 1.637 -2.900) 4.045 10.663 ( 0.777 -1.928 0.518) 2.143 10.663 ( 0.777 1.928 0.518) 2.143 12.259 ( 3.445 -4.193 -1.385) 5.601 12.259 ( 3.445 4.193 -1.385) 5.601 13.897 ( 7.696 -10.075 -5.724) 13.911 13.897 ( 7.696 10.075 -5.724) 13.911 14.177 ( -0.197 -2.288 0.563) 2.365 14.177 ( -0.197 2.288 0.563) 2.365 15.403 ( -1.418 -0.729 0.653) 1.722 15.403 ( -1.418 0.729 0.653) 1.722 16.604 ( -8.508 -5.652 5.911) 11.801 16.604 ( -8.508 5.652 5.911) 11.801 19.932 ( 4.511 -2.721 -3.347) 6.241 19.932 ( 4.511 2.721 -3.347) 6.241 22.686 ( 1.273 -2.460 -0.666) 2.849 22.686 ( 1.273 2.460 -0.666) 2.849 ======================= Grid point 460 (244/246) ======================= q-point: (-0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 17.597 -20.570 -13.780) 30.376 2.047 ( 17.597 20.570 -13.780) 30.376 2.689 ( 1.254 -3.320 9.913) 10.529 2.689 ( 1.254 3.320 9.913) 10.529 2.985 ( 26.698 -7.044 29.593) 40.474 2.985 ( 26.698 7.044 29.593) 40.474 4.005 ( 13.675 -12.430 -8.240) 20.234 4.005 ( 13.675 12.430 -8.240) 20.234 5.915 ( -8.257 -3.540 1.775) 9.158 5.915 ( -8.257 3.540 1.775) 9.158 6.395 ( 1.326 -9.576 3.465) 10.269 6.395 ( 1.326 9.576 3.465) 10.269 7.768 ( -6.276 -3.856 0.825) 7.412 7.768 ( -6.276 3.856 0.825) 7.412 8.318 ( -10.998 -3.028 7.813) 13.826 8.318 ( -10.998 3.028 7.813) 13.826 9.160 ( -2.195 -4.909 -9.809) 11.186 9.160 ( -2.195 4.909 -9.809) 11.186 9.988 ( -0.118 -5.865 -4.593) 7.451 9.988 ( -0.118 5.865 -4.593) 7.451 10.918 ( 17.062 -5.997 18.587) 25.934 10.918 ( 17.062 5.997 18.587) 25.934 12.344 ( 6.620 -6.446 -3.240) 9.792 12.344 ( 6.620 6.446 -3.240) 9.792 13.720 ( -2.143 -11.155 -25.784) 28.175 13.720 ( -2.143 11.155 -25.784) 28.175 14.430 ( 12.739 -5.365 8.419) 16.185 14.430 ( 12.739 5.365 8.419) 16.185 15.324 ( -5.569 -2.068 -2.764) 6.552 15.324 ( -5.569 2.068 -2.764) 6.552 16.421 ( -15.924 -15.411 8.330) 23.674 16.421 ( -15.924 15.411 8.330) 23.674 20.120 ( 13.559 -7.210 4.862) 16.108 20.120 ( 13.559 7.210 4.862) 16.108 22.638 ( -2.649 -4.848 -8.220) 9.905 22.638 ( -2.649 4.848 -8.220) 9.905 ======================= Grid point 462 (245/246) ======================= q-point: (-0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 14.808 -16.832 -8.538) 23.989 2.270 ( 14.808 16.832 -8.538) 23.989 2.787 ( -1.294 -7.848 14.450) 16.494 2.787 ( -1.294 7.848 14.450) 16.494 3.840 ( 30.526 -10.840 27.723) 42.637 3.840 ( 30.526 10.840 27.723) 42.637 4.263 ( 19.398 -13.725 0.098) 23.763 4.263 ( 19.398 13.725 0.098) 23.763 5.738 ( -10.455 -3.913 0.993) 11.207 5.738 ( -10.455 3.913 0.993) 11.207 6.491 ( 5.764 -13.195 3.679) 14.862 6.491 ( 5.764 13.195 3.679) 14.862 7.612 ( -10.471 -4.055 -0.090) 11.229 7.612 ( -10.471 4.055 -0.090) 11.229 8.225 ( -6.283 -8.027 12.025) 15.764 8.225 ( -6.283 8.027 12.025) 15.764 8.928 ( -9.982 -8.232 -15.766) 20.395 8.928 ( -9.982 8.232 -15.766) 20.395 9.912 ( -4.550 -12.723 -3.775) 14.030 9.912 ( -4.550 12.723 -3.775) 14.030 11.508 ( 22.544 -12.451 24.908) 35.829 11.508 ( 22.544 12.451 24.908) 35.829 12.428 ( 5.323 -6.608 -6.040) 10.416 12.428 ( 5.323 6.608 -6.040) 10.416 13.560 ( 6.744 -13.589 -20.749) 25.703 13.560 ( 6.744 13.589 -20.749) 25.703 14.669 ( 7.107 -9.544 -2.045) 12.074 14.669 ( 7.107 9.544 -2.045) 12.074 15.195 ( -2.078 -7.321 -4.062) 8.627 15.195 ( -2.078 7.321 -4.062) 8.627 16.145 ( -20.024 -23.017 9.592) 31.980 16.145 ( -20.024 23.017 9.592) 31.980 20.485 ( 17.092 -10.087 10.466) 22.437 20.485 ( 17.092 10.087 10.466) 22.437 22.456 ( -7.004 -7.339 -13.696) 17.044 22.456 ( -7.004 7.339 -13.696) 17.044 ======================= Grid point 464 (246/246) ======================= q-point: (-0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 6.080 -5.593 -1.241) 8.354 2.443 ( 6.080 5.593 -1.241) 8.354 2.887 ( 2.901 -1.805 8.613) 9.266 2.887 ( 2.901 1.805 8.613) 9.266 4.259 ( 9.319 -10.019 -3.539) 14.133 4.259 ( 9.319 10.019 -3.539) 14.133 4.894 ( 22.349 -6.555 28.078) 36.481 4.894 ( 22.349 6.555 28.078) 36.481 5.613 ( 0.332 -7.048 2.818) 7.598 5.613 ( 0.332 7.048 2.818) 7.598 6.665 ( 9.888 -11.241 1.487) 15.045 6.665 ( 9.888 11.241 1.487) 15.045 7.364 ( -14.620 -3.434 -2.005) 15.151 7.364 ( -14.620 3.434 -2.005) 15.151 8.195 ( -8.499 -9.184 3.287) 12.938 8.195 ( -8.499 9.184 3.287) 12.938 8.664 ( -2.407 -5.376 -5.240) 7.884 8.664 ( -2.407 5.376 -5.240) 7.884 9.750 ( -8.855 -17.727 -3.887) 20.194 9.750 ( -8.855 17.727 -3.887) 20.194 12.035 ( 13.506 -12.592 15.214) 23.925 12.035 ( 13.506 12.592 15.214) 23.925 12.448 ( 2.617 -4.768 -6.864) 8.757 12.448 ( 2.617 4.768 -6.864) 8.757 13.677 ( 15.215 -10.388 -4.992) 19.087 13.677 ( 15.215 10.388 -4.992) 19.087 14.593 ( -9.036 -8.369 -7.977) 14.674 14.593 ( -9.036 8.369 -7.977) 14.674 15.280 ( 13.608 -17.472 -6.502) 23.081 15.280 ( 13.608 17.472 -6.502) 23.081 15.824 ( -20.291 -23.559 8.995) 32.367 15.824 ( -20.291 23.559 8.995) 32.367 20.903 ( 16.081 -10.558 12.733) 23.069 20.903 ( 16.081 10.558 12.733) 23.069 22.165 ( -10.569 -9.588 -15.784) 21.279 22.165 ( -10.569 9.588 -15.784) 21.279 =================== 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 3/29160 10.0 2254.482 1805.040 1573.384 0.000 -110.155 0.000 3/29160 20.0 656.696 706.769 679.659 0.000 11.472 0.000 3/29160 30.0 299.345 299.869 318.763 0.000 21.553 0.000 3/29160 40.0 186.429 181.615 197.966 0.000 14.462 0.000 3/29160 50.0 132.600 127.513 141.048 0.000 10.761 0.000 3/29160 60.0 101.008 96.268 108.064 0.000 8.710 0.000 3/29160 70.0 80.501 76.185 86.725 0.000 7.365 0.000 3/29160 80.0 66.301 62.388 71.916 0.000 6.386 0.000 3/29160 90.0 55.984 52.431 61.105 0.000 5.634 0.000 3/29160 100.0 48.204 44.965 52.905 0.000 5.036 0.000 3/29160 110.0 42.164 39.198 46.503 0.000 4.549 0.000 3/29160 120.0 37.364 34.636 41.386 0.000 4.145 0.000 3/29160 130.0 33.476 30.956 37.219 0.000 3.804 0.000 3/29160 140.0 30.276 27.938 33.771 0.000 3.514 0.000 3/29160 150.0 27.606 25.428 30.881 0.000 3.263 0.000 3/29160 160.0 25.350 23.315 28.428 0.000 3.044 0.000 3/29160 170.0 23.424 21.515 26.326 0.000 2.852 0.000 3/29160 180.0 21.763 19.967 24.506 0.000 2.682 0.000 3/29160 190.0 20.319 18.625 22.919 0.000 2.531 0.000 3/29160 200.0 19.053 17.450 21.523 0.000 2.396 0.000 3/29160 210.0 17.935 16.415 20.287 0.000 2.274 0.000 3/29160 220.0 16.942 15.496 19.185 0.000 2.164 0.000 3/29160 230.0 16.054 14.676 18.198 0.000 2.064 0.000 3/29160 240.0 15.255 13.939 17.309 0.000 1.973 0.000 3/29160 250.0 14.533 13.275 16.504 0.000 1.889 0.000 3/29160 260.0 13.878 12.672 15.772 0.000 1.813 0.000 3/29160 270.0 13.280 12.122 15.103 0.000 1.742 0.000 3/29160 280.0 12.733 11.620 14.490 0.000 1.677 0.000 3/29160 290.0 12.231 11.158 13.926 0.000 1.617 0.000 3/29160 300.0 11.767 10.733 13.405 0.000 1.560 0.000 3/29160 310.0 11.338 10.340 12.922 0.000 1.508 0.000 3/29160 320.0 10.941 9.975 12.474 0.000 1.459 0.000 3/29160 330.0 10.571 9.636 12.057 0.000 1.414 0.000 3/29160 340.0 10.225 9.320 11.668 0.000 1.371 0.000 3/29160 350.0 9.903 9.025 11.303 0.000 1.330 0.000 3/29160 360.0 9.600 8.748 10.962 0.000 1.292 0.000 3/29160 370.0 9.316 8.489 10.641 0.000 1.257 0.000 3/29160 380.0 9.049 8.244 10.338 0.000 1.223 0.000 3/29160 390.0 8.797 8.014 10.053 0.000 1.191 0.000 3/29160 400.0 8.559 7.797 9.783 0.000 1.160 0.000 3/29160 410.0 8.334 7.591 9.528 0.000 1.132 0.000 3/29160 420.0 8.121 7.396 9.286 0.000 1.104 0.000 3/29160 430.0 7.919 7.211 9.057 0.000 1.078 0.000 3/29160 440.0 7.726 7.036 8.839 0.000 1.053 0.000 3/29160 450.0 7.544 6.869 8.631 0.000 1.029 0.000 3/29160 460.0 7.369 6.710 8.433 0.000 1.007 0.000 3/29160 470.0 7.203 6.558 8.244 0.000 0.985 0.000 3/29160 480.0 7.045 6.413 8.064 0.000 0.964 0.000 3/29160 490.0 6.893 6.275 7.891 0.000 0.944 0.000 3/29160 500.0 6.748 6.143 7.726 0.000 0.925 0.000 3/29160 510.0 6.609 6.016 7.568 0.000 0.907 0.000 3/29160 520.0 6.475 5.894 7.416 0.000 0.890 0.000 3/29160 530.0 6.347 5.777 7.270 0.000 0.873 0.000 3/29160 540.0 6.225 5.665 7.130 0.000 0.856 0.000 3/29160 550.0 6.106 5.558 6.996 0.000 0.841 0.000 3/29160 560.0 5.993 5.454 6.866 0.000 0.826 0.000 3/29160 570.0 5.883 5.354 6.741 0.000 0.811 0.000 3/29160 580.0 5.778 5.258 6.621 0.000 0.797 0.000 3/29160 590.0 5.676 5.166 6.505 0.000 0.783 0.000 3/29160 600.0 5.578 5.076 6.393 0.000 0.770 0.000 3/29160 610.0 5.484 4.990 6.285 0.000 0.758 0.000 3/29160 620.0 5.392 4.907 6.181 0.000 0.745 0.000 3/29160 630.0 5.304 4.826 6.080 0.000 0.733 0.000 3/29160 640.0 5.218 4.748 5.982 0.000 0.722 0.000 3/29160 650.0 5.135 4.673 5.888 0.000 0.711 0.000 3/29160 660.0 5.055 4.600 5.796 0.000 0.700 0.000 3/29160 670.0 4.978 4.529 5.707 0.000 0.690 0.000 3/29160 680.0 4.902 4.460 5.621 0.000 0.679 0.000 3/29160 690.0 4.829 4.394 5.538 0.000 0.669 0.000 3/29160 700.0 4.758 4.329 5.457 0.000 0.660 0.000 3/29160 710.0 4.690 4.267 5.378 0.000 0.651 0.000 3/29160 720.0 4.623 4.206 5.302 0.000 0.642 0.000 3/29160 730.0 4.558 4.147 5.228 0.000 0.633 0.000 3/29160 740.0 4.495 4.089 5.156 0.000 0.624 0.000 3/29160 750.0 4.434 4.034 5.086 0.000 0.616 0.000 3/29160 760.0 4.374 3.979 5.018 0.000 0.608 0.000 3/29160 770.0 4.316 3.926 4.951 0.000 0.600 0.000 3/29160 780.0 4.260 3.875 4.887 0.000 0.592 0.000 3/29160 790.0 4.205 3.825 4.824 0.000 0.585 0.000 3/29160 800.0 4.151 3.776 4.762 0.000 0.577 0.000 3/29160 810.0 4.099 3.728 4.702 0.000 0.570 0.000 3/29160 820.0 4.048 3.682 4.644 0.000 0.563 0.000 3/29160 830.0 3.998 3.637 4.587 0.000 0.556 0.000 3/29160 840.0 3.950 3.593 4.532 0.000 0.550 0.000 3/29160 850.0 3.902 3.550 4.478 0.000 0.543 0.000 3/29160 860.0 3.856 3.508 4.425 0.000 0.537 0.000 3/29160 870.0 3.811 3.467 4.373 0.000 0.531 0.000 3/29160 880.0 3.767 3.426 4.323 0.000 0.525 0.000 3/29160 890.0 3.724 3.387 4.274 0.000 0.519 0.000 3/29160 900.0 3.682 3.349 4.226 0.000 0.513 0.000 3/29160 910.0 3.641 3.312 4.179 0.000 0.508 0.000 3/29160 920.0 3.601 3.275 4.133 0.000 0.502 0.000 3/29160 930.0 3.562 3.239 4.088 0.000 0.497 0.000 3/29160 940.0 3.523 3.204 4.044 0.000 0.491 0.000 3/29160 950.0 3.485 3.170 4.000 0.000 0.486 0.000 3/29160 960.0 3.449 3.137 3.958 0.000 0.481 0.000 3/29160 970.0 3.413 3.104 3.917 0.000 0.476 0.000 3/29160 980.0 3.377 3.072 3.877 0.000 0.471 0.000 3/29160 990.0 3.343 3.040 3.837 0.000 0.467 0.000 3/29160 1000.0 3.309 3.010 3.798 0.000 0.462 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m9109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:21:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|