----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:49:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.799870449999998 0.000000000000000 0.000000000000000 b 0.000000000000000 2.975211100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.471455170000000 Atomic positions (fractional): *1 Ga 0.35876831351037 0.25000000000000 0.44180940710422 69.723 2 Ga 0.85876831351037 0.25000000000000 0.05819059289578 69.723 3 Ga 0.64123168648963 0.75000000000000 0.55819059289578 69.723 4 Ga 0.14123168648963 0.75000000000000 0.94180940710422 69.723 *5 H 0.59865644716928 0.25000000000000 0.08821080646100 1.008 6 H 0.09865644716928 0.25000000000000 0.41178919353900 1.008 7 H 0.40134355283072 0.75000000000000 0.91178919353900 1.008 8 H 0.90134355283072 0.75000000000000 0.58821080646100 1.008 *9 O 0.69114530434817 0.25000000000000 0.81790027797529 15.999 10 O 0.19114530434817 0.25000000000000 0.68209972202471 15.999 11 O 0.30885469565183 0.75000000000000 0.18209972202471 15.999 12 O 0.80885469565183 0.75000000000000 0.31790027797529 15.999 *13 O 0.55884491655295 0.25000000000000 0.30461422124878 15.999 14 O 0.05884491655295 0.25000000000000 0.19538577875122 15.999 15 O 0.44115508344705 0.75000000000000 0.69538577875122 15.999 16 O 0.94115508344705 0.75000000000000 0.80461422124878 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.799870449999998 0.000000000000000 0.000000000000000 b 0.000000000000000 2.975211100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.471455170000000 Atomic positions (fractional): *1 Ga 0.35876831351037 0.25000000000000 0.44180940710422 69.723 > 1 2 Ga 0.85876831351037 0.25000000000000 0.05819059289578 69.723 > 2 3 Ga 0.64123168648963 0.75000000000000 0.55819059289578 69.723 > 3 4 Ga 0.14123168648963 0.75000000000000 0.94180940710422 69.723 > 4 *5 H 0.59865644716928 0.25000000000000 0.08821080646100 1.008 > 5 6 H 0.09865644716928 0.25000000000000 0.41178919353900 1.008 > 6 7 H 0.40134355283072 0.75000000000000 0.91178919353900 1.008 > 7 8 H 0.90134355283072 0.75000000000000 0.58821080646100 1.008 > 8 *9 O 0.69114530434817 0.25000000000000 0.81790027797529 15.999 > 9 10 O 0.19114530434817 0.25000000000000 0.68209972202471 15.999 > 10 11 O 0.30885469565183 0.75000000000000 0.18209972202471 15.999 > 11 12 O 0.80885469565183 0.75000000000000 0.31790027797529 15.999 > 12 *13 O 0.55884491655295 0.25000000000000 0.30461422124878 15.999 > 13 14 O 0.05884491655295 0.25000000000000 0.19538577875122 15.999 > 14 15 O 0.44115508344705 0.75000000000000 0.69538577875122 15.999 > 15 16 O 0.94115508344705 0.75000000000000 0.80461422124878 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.799870449999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.900844400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.942910339999999 Atomic positions (fractional): *1 Ga 0.35876831351037 0.06250000000000 0.22090470355211 69.723 > 1 2 Ga 0.35876831351037 0.31250000000000 0.22090470355211 69.723 > 1 3 Ga 0.35876831351037 0.56250000000000 0.22090470355211 69.723 > 1 4 Ga 0.35876831351037 0.81250000000000 0.22090470355211 69.723 > 1 5 Ga 0.35876831351037 0.06250000000000 0.72090470355211 69.723 > 1 6 Ga 0.35876831351037 0.31250000000000 0.72090470355211 69.723 > 1 7 Ga 0.35876831351037 0.56250000000000 0.72090470355211 69.723 > 1 8 Ga 0.35876831351037 0.81250000000000 0.72090470355211 69.723 > 1 9 Ga 0.85876831351037 0.06250000000000 0.02909529644789 69.723 > 2 10 Ga 0.85876831351037 0.31250000000000 0.02909529644789 69.723 > 2 11 Ga 0.85876831351037 0.56250000000000 0.02909529644789 69.723 > 2 12 Ga 0.85876831351037 0.81250000000000 0.02909529644789 69.723 > 2 13 Ga 0.85876831351037 0.06250000000000 0.52909529644789 69.723 > 2 14 Ga 0.85876831351037 0.31250000000000 0.52909529644789 69.723 > 2 15 Ga 0.85876831351037 0.56250000000000 0.52909529644789 69.723 > 2 16 Ga 0.85876831351037 0.81250000000000 0.52909529644789 69.723 > 2 17 Ga 0.64123168648963 0.18750000000000 0.27909529644789 69.723 > 3 18 Ga 0.64123168648963 0.43750000000000 0.27909529644789 69.723 > 3 19 Ga 0.64123168648963 0.68750000000000 0.27909529644789 69.723 > 3 20 Ga 0.64123168648963 0.93750000000000 0.27909529644789 69.723 > 3 21 Ga 0.64123168648963 0.18750000000000 0.77909529644789 69.723 > 3 22 Ga 0.64123168648963 0.43750000000000 0.77909529644789 69.723 > 3 23 Ga 0.64123168648963 0.68750000000000 0.77909529644789 69.723 > 3 24 Ga 0.64123168648963 0.93750000000000 0.77909529644789 69.723 > 3 25 Ga 0.14123168648963 0.18750000000000 0.47090470355211 69.723 > 4 26 Ga 0.14123168648963 0.43750000000000 0.47090470355211 69.723 > 4 27 Ga 0.14123168648963 0.68750000000000 0.47090470355211 69.723 > 4 28 Ga 0.14123168648963 0.93750000000000 0.47090470355211 69.723 > 4 29 Ga 0.14123168648963 0.18750000000000 0.97090470355211 69.723 > 4 30 Ga 0.14123168648963 0.43750000000000 0.97090470355211 69.723 > 4 31 Ga 0.14123168648963 0.68750000000000 0.97090470355211 69.723 > 4 32 Ga 0.14123168648963 0.93750000000000 0.97090470355211 69.723 > 4 *33 H 0.59865644716928 0.06250000000000 0.04410540323050 1.008 > 5 34 H 0.59865644716928 0.31250000000000 0.04410540323050 1.008 > 5 35 H 0.59865644716928 0.56250000000000 0.04410540323050 1.008 > 5 36 H 0.59865644716928 0.81250000000000 0.04410540323050 1.008 > 5 37 H 0.59865644716928 0.06250000000000 0.54410540323050 1.008 > 5 38 H 0.59865644716928 0.31250000000000 0.54410540323050 1.008 > 5 39 H 0.59865644716928 0.56250000000000 0.54410540323050 1.008 > 5 40 H 0.59865644716928 0.81250000000000 0.54410540323050 1.008 > 5 41 H 0.09865644716928 0.06250000000000 0.20589459676950 1.008 > 6 42 H 0.09865644716928 0.31250000000000 0.20589459676950 1.008 > 6 43 H 0.09865644716928 0.56250000000000 0.20589459676950 1.008 > 6 44 H 0.09865644716928 0.81250000000000 0.20589459676950 1.008 > 6 45 H 0.09865644716928 0.06250000000000 0.70589459676950 1.008 > 6 46 H 0.09865644716928 0.31250000000000 0.70589459676950 1.008 > 6 47 H 0.09865644716928 0.56250000000000 0.70589459676950 1.008 > 6 48 H 0.09865644716928 0.81250000000000 0.70589459676950 1.008 > 6 49 H 0.40134355283072 0.18750000000000 0.45589459676950 1.008 > 7 50 H 0.40134355283072 0.43750000000000 0.45589459676950 1.008 > 7 51 H 0.40134355283072 0.68750000000000 0.45589459676950 1.008 > 7 52 H 0.40134355283072 0.93750000000000 0.45589459676950 1.008 > 7 53 H 0.40134355283072 0.18750000000000 0.95589459676950 1.008 > 7 54 H 0.40134355283072 0.43750000000000 0.95589459676950 1.008 > 7 55 H 0.40134355283072 0.68750000000000 0.95589459676950 1.008 > 7 56 H 0.40134355283072 0.93750000000000 0.95589459676950 1.008 > 7 57 H 0.90134355283072 0.18750000000000 0.29410540323050 1.008 > 8 58 H 0.90134355283072 0.43750000000000 0.29410540323050 1.008 > 8 59 H 0.90134355283072 0.68750000000000 0.29410540323050 1.008 > 8 60 H 0.90134355283072 0.93750000000000 0.29410540323050 1.008 > 8 61 H 0.90134355283072 0.18750000000000 0.79410540323050 1.008 > 8 62 H 0.90134355283072 0.43750000000000 0.79410540323050 1.008 > 8 63 H 0.90134355283072 0.68750000000000 0.79410540323050 1.008 > 8 64 H 0.90134355283072 0.93750000000000 0.79410540323050 1.008 > 8 *65 O 0.69114530434817 0.06250000000000 0.40895013898765 15.999 > 9 66 O 0.69114530434817 0.31250000000000 0.40895013898765 15.999 > 9 67 O 0.69114530434817 0.56250000000000 0.40895013898765 15.999 > 9 68 O 0.69114530434817 0.81250000000000 0.40895013898765 15.999 > 9 69 O 0.69114530434817 0.06250000000000 0.90895013898765 15.999 > 9 70 O 0.69114530434817 0.31250000000000 0.90895013898765 15.999 > 9 71 O 0.69114530434817 0.56250000000000 0.90895013898765 15.999 > 9 72 O 0.69114530434817 0.81250000000000 0.90895013898765 15.999 > 9 73 O 0.19114530434817 0.06250000000000 0.34104986101235 15.999 > 10 74 O 0.19114530434817 0.31250000000000 0.34104986101235 15.999 > 10 75 O 0.19114530434817 0.56250000000000 0.34104986101235 15.999 > 10 76 O 0.19114530434817 0.81250000000000 0.34104986101235 15.999 > 10 77 O 0.19114530434817 0.06250000000000 0.84104986101235 15.999 > 10 78 O 0.19114530434817 0.31250000000000 0.84104986101235 15.999 > 10 79 O 0.19114530434817 0.56250000000000 0.84104986101235 15.999 > 10 80 O 0.19114530434817 0.81250000000000 0.84104986101235 15.999 > 10 81 O 0.30885469565183 0.18750000000000 0.09104986101235 15.999 > 11 82 O 0.30885469565183 0.43750000000000 0.09104986101235 15.999 > 11 83 O 0.30885469565183 0.68750000000000 0.09104986101235 15.999 > 11 84 O 0.30885469565183 0.93750000000000 0.09104986101235 15.999 > 11 85 O 0.30885469565183 0.18750000000000 0.59104986101235 15.999 > 11 86 O 0.30885469565183 0.43750000000000 0.59104986101235 15.999 > 11 87 O 0.30885469565183 0.68750000000000 0.59104986101235 15.999 > 11 88 O 0.30885469565183 0.93750000000000 0.59104986101235 15.999 > 11 89 O 0.80885469565183 0.18750000000000 0.15895013898765 15.999 > 12 90 O 0.80885469565183 0.43750000000000 0.15895013898765 15.999 > 12 91 O 0.80885469565183 0.68750000000000 0.15895013898765 15.999 > 12 92 O 0.80885469565183 0.93750000000000 0.15895013898765 15.999 > 12 93 O 0.80885469565183 0.18750000000000 0.65895013898765 15.999 > 12 94 O 0.80885469565183 0.43750000000000 0.65895013898765 15.999 > 12 95 O 0.80885469565183 0.68750000000000 0.65895013898765 15.999 > 12 96 O 0.80885469565183 0.93750000000000 0.65895013898765 15.999 > 12 *97 O 0.55884491655295 0.06250000000000 0.15230711062439 15.999 > 13 98 O 0.55884491655295 0.31250000000000 0.15230711062439 15.999 > 13 99 O 0.55884491655295 0.56250000000000 0.15230711062439 15.999 > 13 100 O 0.55884491655295 0.81250000000000 0.15230711062439 15.999 > 13 101 O 0.55884491655295 0.06250000000000 0.65230711062439 15.999 > 13 102 O 0.55884491655295 0.31250000000000 0.65230711062439 15.999 > 13 103 O 0.55884491655295 0.56250000000000 0.65230711062439 15.999 > 13 104 O 0.55884491655295 0.81250000000000 0.65230711062439 15.999 > 13 105 O 0.05884491655295 0.06250000000000 0.09769288937561 15.999 > 14 106 O 0.05884491655295 0.31250000000000 0.09769288937561 15.999 > 14 107 O 0.05884491655295 0.56250000000000 0.09769288937561 15.999 > 14 108 O 0.05884491655295 0.81250000000000 0.09769288937561 15.999 > 14 109 O 0.05884491655295 0.06250000000000 0.59769288937561 15.999 > 14 110 O 0.05884491655295 0.31250000000000 0.59769288937561 15.999 > 14 111 O 0.05884491655295 0.56250000000000 0.59769288937561 15.999 > 14 112 O 0.05884491655295 0.81250000000000 0.59769288937561 15.999 > 14 113 O 0.44115508344705 0.18750000000000 0.34769288937561 15.999 > 15 114 O 0.44115508344705 0.43750000000000 0.34769288937561 15.999 > 15 115 O 0.44115508344705 0.68750000000000 0.34769288937561 15.999 > 15 116 O 0.44115508344705 0.93750000000000 0.34769288937561 15.999 > 15 117 O 0.44115508344705 0.18750000000000 0.84769288937561 15.999 > 15 118 O 0.44115508344705 0.43750000000000 0.84769288937561 15.999 > 15 119 O 0.44115508344705 0.68750000000000 0.84769288937561 15.999 > 15 120 O 0.44115508344705 0.93750000000000 0.84769288937561 15.999 > 15 121 O 0.94115508344705 0.18750000000000 0.40230711062439 15.999 > 16 122 O 0.94115508344705 0.43750000000000 0.40230711062439 15.999 > 16 123 O 0.94115508344705 0.68750000000000 0.40230711062439 15.999 > 16 124 O 0.94115508344705 0.93750000000000 0.40230711062439 15.999 > 16 125 O 0.94115508344705 0.18750000000000 0.90230711062439 15.999 > 16 126 O 0.94115508344705 0.43750000000000 0.90230711062439 15.999 > 16 127 O 0.94115508344705 0.68750000000000 0.90230711062439 15.999 > 16 128 O 0.94115508344705 0.93750000000000 0.90230711062439 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8016147 0.0000000 0.0000000 0.0000000 3.7761156 0.0000000 0.0000000 0.0000000 3.8207148 -------------------------- Born effective charges -------------------------- 1 Ga 3.2697204 0.0000000 0.0000591 0.0000000 3.3629588 0.0000000 -0.0311185 0.0000000 2.9259342 2 Ga 3.2697204 0.0000000 -0.0000591 0.0000000 3.3629588 0.0000000 0.0311185 0.0000000 2.9259342 3 Ga 3.2697204 0.0000000 0.0000591 0.0000000 3.3629588 0.0000000 -0.0311185 0.0000000 2.9259342 4 Ga 3.2697204 0.0000000 -0.0000591 0.0000000 3.3629588 0.0000000 0.0311185 0.0000000 2.9259342 5 H 0.6800033 0.0000000 -0.7047155 0.0000000 0.2660647 0.0000000 -0.7396119 0.0000000 1.6103334 6 H 0.6800033 0.0000000 0.7047155 0.0000000 0.2660647 0.0000000 0.7396119 0.0000000 1.6103334 7 H 0.6800033 0.0000000 -0.7047155 0.0000000 0.2660647 0.0000000 -0.7396119 0.0000000 1.6103334 8 H 0.6800033 0.0000000 0.7047155 0.0000000 0.2660647 0.0000000 0.7396119 0.0000000 1.6103334 9 O -1.9586215 0.0000000 -0.1910373 0.0000000 -1.9885660 0.0000000 -0.1263049 0.0000000 -2.3875078 10 O -1.9586215 0.0000000 0.1910373 0.0000000 -1.9885660 0.0000000 0.1263049 0.0000000 -2.3875078 11 O -1.9586215 0.0000000 -0.1910373 0.0000000 -1.9885660 0.0000000 -0.1263049 0.0000000 -2.3875078 12 O -1.9586215 0.0000000 0.1910373 0.0000000 -1.9885660 0.0000000 0.1263049 0.0000000 -2.3875078 13 O -1.9911021 0.0000000 0.3548824 0.0000000 -1.6404575 0.0000000 0.2455630 0.0000000 -2.1487598 14 O -1.9911021 0.0000000 -0.3548824 0.0000000 -1.6404575 0.0000000 -0.2455630 0.0000000 -2.1487598 15 O -1.9911021 0.0000000 0.3548824 0.0000000 -1.6404575 0.0000000 0.2455630 0.0000000 -2.1487598 16 O -1.9911021 0.0000000 -0.3548824 0.0000000 -1.6404575 0.0000000 -0.2455630 0.0000000 -2.1487598 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.827 Solver_block: 200 / 240 - Time: 1.791 Solver_block: 240 / 240 - Time: 0.791 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.440 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:49:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:49:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.799870449999998 0.000000000000000 0.000000000000000 b 0.000000000000000 2.975211100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.471455170000000 Atomic positions (fractional): 1 Ga 0.35876831351037 0.25000000000000 0.44180940710422 69.723 2 Ga 0.85876831351037 0.25000000000000 0.05819059289578 69.723 3 Ga 0.64123168648963 0.75000000000000 0.55819059289578 69.723 4 Ga 0.14123168648963 0.75000000000000 0.94180940710422 69.723 5 H 0.59865644716928 0.25000000000000 0.08821080646100 1.008 6 H 0.09865644716928 0.25000000000000 0.41178919353900 1.008 7 H 0.40134355283072 0.75000000000000 0.91178919353900 1.008 8 H 0.90134355283072 0.75000000000000 0.58821080646100 1.008 9 O 0.69114530434817 0.25000000000000 0.81790027797529 15.999 10 O 0.19114530434817 0.25000000000000 0.68209972202471 15.999 11 O 0.30885469565183 0.75000000000000 0.18209972202471 15.999 12 O 0.80885469565183 0.75000000000000 0.31790027797529 15.999 13 O 0.55884491655295 0.25000000000000 0.30461422124878 15.999 14 O 0.05884491655295 0.25000000000000 0.19538577875122 15.999 15 O 0.44115508344705 0.75000000000000 0.69538577875122 15.999 16 O 0.94115508344705 0.75000000000000 0.80461422124878 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.799870449999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.900844400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.942910339999999 Atomic positions (fractional): 1 Ga 0.35876831351037 0.06250000000000 0.22090470355211 69.723 > 1 2 Ga 0.35876831351037 0.31250000000000 0.22090470355211 69.723 > 1 3 Ga 0.35876831351037 0.56250000000000 0.22090470355211 69.723 > 1 4 Ga 0.35876831351037 0.81250000000000 0.22090470355211 69.723 > 1 5 Ga 0.35876831351037 0.06250000000000 0.72090470355211 69.723 > 1 6 Ga 0.35876831351037 0.31250000000000 0.72090470355211 69.723 > 1 7 Ga 0.35876831351037 0.56250000000000 0.72090470355211 69.723 > 1 8 Ga 0.35876831351037 0.81250000000000 0.72090470355211 69.723 > 1 9 Ga 0.85876831351037 0.06250000000000 0.02909529644789 69.723 > 9 10 Ga 0.85876831351037 0.31250000000000 0.02909529644789 69.723 > 9 11 Ga 0.85876831351037 0.56250000000000 0.02909529644789 69.723 > 9 12 Ga 0.85876831351037 0.81250000000000 0.02909529644789 69.723 > 9 13 Ga 0.85876831351037 0.06250000000000 0.52909529644789 69.723 > 9 14 Ga 0.85876831351037 0.31250000000000 0.52909529644789 69.723 > 9 15 Ga 0.85876831351037 0.56250000000000 0.52909529644789 69.723 > 9 16 Ga 0.85876831351037 0.81250000000000 0.52909529644789 69.723 > 9 17 Ga 0.64123168648963 0.18750000000000 0.27909529644789 69.723 > 17 18 Ga 0.64123168648963 0.43750000000000 0.27909529644789 69.723 > 17 19 Ga 0.64123168648963 0.68750000000000 0.27909529644789 69.723 > 17 20 Ga 0.64123168648963 0.93750000000000 0.27909529644789 69.723 > 17 21 Ga 0.64123168648963 0.18750000000000 0.77909529644789 69.723 > 17 22 Ga 0.64123168648963 0.43750000000000 0.77909529644789 69.723 > 17 23 Ga 0.64123168648963 0.68750000000000 0.77909529644789 69.723 > 17 24 Ga 0.64123168648963 0.93750000000000 0.77909529644789 69.723 > 17 25 Ga 0.14123168648963 0.18750000000000 0.47090470355211 69.723 > 25 26 Ga 0.14123168648963 0.43750000000000 0.47090470355211 69.723 > 25 27 Ga 0.14123168648963 0.68750000000000 0.47090470355211 69.723 > 25 28 Ga 0.14123168648963 0.93750000000000 0.47090470355211 69.723 > 25 29 Ga 0.14123168648963 0.18750000000000 0.97090470355211 69.723 > 25 30 Ga 0.14123168648963 0.43750000000000 0.97090470355211 69.723 > 25 31 Ga 0.14123168648963 0.68750000000000 0.97090470355211 69.723 > 25 32 Ga 0.14123168648963 0.93750000000000 0.97090470355211 69.723 > 25 33 H 0.59865644716928 0.06250000000000 0.04410540323050 1.008 > 33 34 H 0.59865644716928 0.31250000000000 0.04410540323050 1.008 > 33 35 H 0.59865644716928 0.56250000000000 0.04410540323050 1.008 > 33 36 H 0.59865644716928 0.81250000000000 0.04410540323050 1.008 > 33 37 H 0.59865644716928 0.06250000000000 0.54410540323050 1.008 > 33 38 H 0.59865644716928 0.31250000000000 0.54410540323050 1.008 > 33 39 H 0.59865644716928 0.56250000000000 0.54410540323050 1.008 > 33 40 H 0.59865644716928 0.81250000000000 0.54410540323050 1.008 > 33 41 H 0.09865644716928 0.06250000000000 0.20589459676950 1.008 > 41 42 H 0.09865644716928 0.31250000000000 0.20589459676950 1.008 > 41 43 H 0.09865644716928 0.56250000000000 0.20589459676950 1.008 > 41 44 H 0.09865644716928 0.81250000000000 0.20589459676950 1.008 > 41 45 H 0.09865644716928 0.06250000000000 0.70589459676950 1.008 > 41 46 H 0.09865644716928 0.31250000000000 0.70589459676950 1.008 > 41 47 H 0.09865644716928 0.56250000000000 0.70589459676950 1.008 > 41 48 H 0.09865644716928 0.81250000000000 0.70589459676950 1.008 > 41 49 H 0.40134355283072 0.18750000000000 0.45589459676950 1.008 > 49 50 H 0.40134355283072 0.43750000000000 0.45589459676950 1.008 > 49 51 H 0.40134355283072 0.68750000000000 0.45589459676950 1.008 > 49 52 H 0.40134355283072 0.93750000000000 0.45589459676950 1.008 > 49 53 H 0.40134355283072 0.18750000000000 0.95589459676950 1.008 > 49 54 H 0.40134355283072 0.43750000000000 0.95589459676950 1.008 > 49 55 H 0.40134355283072 0.68750000000000 0.95589459676950 1.008 > 49 56 H 0.40134355283072 0.93750000000000 0.95589459676950 1.008 > 49 57 H 0.90134355283072 0.18750000000000 0.29410540323050 1.008 > 57 58 H 0.90134355283072 0.43750000000000 0.29410540323050 1.008 > 57 59 H 0.90134355283072 0.68750000000000 0.29410540323050 1.008 > 57 60 H 0.90134355283072 0.93750000000000 0.29410540323050 1.008 > 57 61 H 0.90134355283072 0.18750000000000 0.79410540323050 1.008 > 57 62 H 0.90134355283072 0.43750000000000 0.79410540323050 1.008 > 57 63 H 0.90134355283072 0.68750000000000 0.79410540323050 1.008 > 57 64 H 0.90134355283072 0.93750000000000 0.79410540323050 1.008 > 57 65 O 0.69114530434817 0.06250000000000 0.40895013898765 15.999 > 65 66 O 0.69114530434817 0.31250000000000 0.40895013898765 15.999 > 65 67 O 0.69114530434817 0.56250000000000 0.40895013898765 15.999 > 65 68 O 0.69114530434817 0.81250000000000 0.40895013898765 15.999 > 65 69 O 0.69114530434817 0.06250000000000 0.90895013898765 15.999 > 65 70 O 0.69114530434817 0.31250000000000 0.90895013898765 15.999 > 65 71 O 0.69114530434817 0.56250000000000 0.90895013898765 15.999 > 65 72 O 0.69114530434817 0.81250000000000 0.90895013898765 15.999 > 65 73 O 0.19114530434817 0.06250000000000 0.34104986101235 15.999 > 73 74 O 0.19114530434817 0.31250000000000 0.34104986101235 15.999 > 73 75 O 0.19114530434817 0.56250000000000 0.34104986101235 15.999 > 73 76 O 0.19114530434817 0.81250000000000 0.34104986101235 15.999 > 73 77 O 0.19114530434817 0.06250000000000 0.84104986101235 15.999 > 73 78 O 0.19114530434817 0.31250000000000 0.84104986101235 15.999 > 73 79 O 0.19114530434817 0.56250000000000 0.84104986101235 15.999 > 73 80 O 0.19114530434817 0.81250000000000 0.84104986101235 15.999 > 73 81 O 0.30885469565183 0.18750000000000 0.09104986101235 15.999 > 81 82 O 0.30885469565183 0.43750000000000 0.09104986101235 15.999 > 81 83 O 0.30885469565183 0.68750000000000 0.09104986101235 15.999 > 81 84 O 0.30885469565183 0.93750000000000 0.09104986101235 15.999 > 81 85 O 0.30885469565183 0.18750000000000 0.59104986101235 15.999 > 81 86 O 0.30885469565183 0.43750000000000 0.59104986101235 15.999 > 81 87 O 0.30885469565183 0.68750000000000 0.59104986101235 15.999 > 81 88 O 0.30885469565183 0.93750000000000 0.59104986101235 15.999 > 81 89 O 0.80885469565183 0.18750000000000 0.15895013898765 15.999 > 89 90 O 0.80885469565183 0.43750000000000 0.15895013898765 15.999 > 89 91 O 0.80885469565183 0.68750000000000 0.15895013898765 15.999 > 89 92 O 0.80885469565183 0.93750000000000 0.15895013898765 15.999 > 89 93 O 0.80885469565183 0.18750000000000 0.65895013898765 15.999 > 89 94 O 0.80885469565183 0.43750000000000 0.65895013898765 15.999 > 89 95 O 0.80885469565183 0.68750000000000 0.65895013898765 15.999 > 89 96 O 0.80885469565183 0.93750000000000 0.65895013898765 15.999 > 89 97 O 0.55884491655295 0.06250000000000 0.15230711062439 15.999 > 97 98 O 0.55884491655295 0.31250000000000 0.15230711062439 15.999 > 97 99 O 0.55884491655295 0.56250000000000 0.15230711062439 15.999 > 97 100 O 0.55884491655295 0.81250000000000 0.15230711062439 15.999 > 97 101 O 0.55884491655295 0.06250000000000 0.65230711062439 15.999 > 97 102 O 0.55884491655295 0.31250000000000 0.65230711062439 15.999 > 97 103 O 0.55884491655295 0.56250000000000 0.65230711062439 15.999 > 97 104 O 0.55884491655295 0.81250000000000 0.65230711062439 15.999 > 97 105 O 0.05884491655295 0.06250000000000 0.09769288937561 15.999 > 105 106 O 0.05884491655295 0.31250000000000 0.09769288937561 15.999 > 105 107 O 0.05884491655295 0.56250000000000 0.09769288937561 15.999 > 105 108 O 0.05884491655295 0.81250000000000 0.09769288937561 15.999 > 105 109 O 0.05884491655295 0.06250000000000 0.59769288937561 15.999 > 105 110 O 0.05884491655295 0.31250000000000 0.59769288937561 15.999 > 105 111 O 0.05884491655295 0.56250000000000 0.59769288937561 15.999 > 105 112 O 0.05884491655295 0.81250000000000 0.59769288937561 15.999 > 105 113 O 0.44115508344705 0.18750000000000 0.34769288937561 15.999 > 113 114 O 0.44115508344705 0.43750000000000 0.34769288937561 15.999 > 113 115 O 0.44115508344705 0.68750000000000 0.34769288937561 15.999 > 113 116 O 0.44115508344705 0.93750000000000 0.34769288937561 15.999 > 113 117 O 0.44115508344705 0.18750000000000 0.84769288937561 15.999 > 113 118 O 0.44115508344705 0.43750000000000 0.84769288937561 15.999 > 113 119 O 0.44115508344705 0.68750000000000 0.84769288937561 15.999 > 113 120 O 0.44115508344705 0.93750000000000 0.84769288937561 15.999 > 113 121 O 0.94115508344705 0.18750000000000 0.40230711062439 15.999 > 121 122 O 0.94115508344705 0.43750000000000 0.40230711062439 15.999 > 121 123 O 0.94115508344705 0.68750000000000 0.40230711062439 15.999 > 121 124 O 0.94115508344705 0.93750000000000 0.40230711062439 15.999 > 121 125 O 0.94115508344705 0.18750000000000 0.90230711062439 15.999 > 121 126 O 0.94115508344705 0.43750000000000 0.90230711062439 15.999 > 121 127 O 0.94115508344705 0.68750000000000 0.90230711062439 15.999 > 121 128 O 0.94115508344705 0.93750000000000 0.90230711062439 15.999 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8016147 0.0000000 0.0000000 0.0000000 3.7761156 0.0000000 0.0000000 0.0000000 3.8207148 -------------------------- Born effective charges -------------------------- 1 Ga 3.2697204 0.0000000 0.0000591 0.0000000 3.3629588 0.0000000 -0.0311185 0.0000000 2.9259342 2 Ga 3.2697204 0.0000000 -0.0000591 0.0000000 3.3629588 0.0000000 0.0311185 0.0000000 2.9259342 3 Ga 3.2697204 0.0000000 0.0000591 0.0000000 3.3629588 0.0000000 -0.0311185 0.0000000 2.9259342 4 Ga 3.2697204 0.0000000 -0.0000591 0.0000000 3.3629588 0.0000000 0.0311185 0.0000000 2.9259342 5 H 0.6800033 0.0000000 -0.7047155 0.0000000 0.2660647 0.0000000 -0.7396119 0.0000000 1.6103334 6 H 0.6800033 0.0000000 0.7047155 0.0000000 0.2660647 0.0000000 0.7396119 0.0000000 1.6103334 7 H 0.6800033 0.0000000 -0.7047155 0.0000000 0.2660647 0.0000000 -0.7396119 0.0000000 1.6103334 8 H 0.6800033 0.0000000 0.7047155 0.0000000 0.2660647 0.0000000 0.7396119 0.0000000 1.6103334 9 O -1.9586215 0.0000000 -0.1910373 0.0000000 -1.9885660 0.0000000 -0.1263049 0.0000000 -2.3875078 10 O -1.9586215 0.0000000 0.1910373 0.0000000 -1.9885660 0.0000000 0.1263049 0.0000000 -2.3875078 11 O -1.9586215 0.0000000 -0.1910373 0.0000000 -1.9885660 0.0000000 -0.1263049 0.0000000 -2.3875078 12 O -1.9586215 0.0000000 0.1910373 0.0000000 -1.9885660 0.0000000 0.1263049 0.0000000 -2.3875078 13 O -1.9911021 0.0000000 0.3548824 0.0000000 -1.6404575 0.0000000 0.2455630 0.0000000 -2.1487598 14 O -1.9911021 0.0000000 -0.3548824 0.0000000 -1.6404575 0.0000000 -0.2455630 0.0000000 -2.1487598 15 O -1.9911021 0.0000000 0.3548824 0.0000000 -1.6404575 0.0000000 0.2455630 0.0000000 -2.1487598 16 O -1.9911021 0.0000000 -0.3548824 0.0000000 -1.6404575 0.0000000 -0.2455630 0.0000000 -2.1487598 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (zzz) -0.00000004 (zzz) -0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) 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 20:49:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:49:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.799870449999998 0.000000000000000 0.000000000000000 b 0.000000000000000 2.975211100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.471455170000000 Atomic positions (fractional): 1 Ga 0.35876831351037 0.25000000000000 0.44180940710422 69.723 2 Ga 0.85876831351037 0.25000000000000 0.05819059289578 69.723 3 Ga 0.64123168648963 0.75000000000000 0.55819059289578 69.723 4 Ga 0.14123168648963 0.75000000000000 0.94180940710422 69.723 5 H 0.59865644716928 0.25000000000000 0.08821080646100 1.008 6 H 0.09865644716928 0.25000000000000 0.41178919353900 1.008 7 H 0.40134355283072 0.75000000000000 0.91178919353900 1.008 8 H 0.90134355283072 0.75000000000000 0.58821080646100 1.008 9 O 0.69114530434817 0.25000000000000 0.81790027797529 15.999 10 O 0.19114530434817 0.25000000000000 0.68209972202471 15.999 11 O 0.30885469565183 0.75000000000000 0.18209972202471 15.999 12 O 0.80885469565183 0.75000000000000 0.31790027797529 15.999 13 O 0.55884491655295 0.25000000000000 0.30461422124878 15.999 14 O 0.05884491655295 0.25000000000000 0.19538577875122 15.999 15 O 0.44115508344705 0.75000000000000 0.69538577875122 15.999 16 O 0.94115508344705 0.75000000000000 0.80461422124878 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.799870449999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.900844400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.942910339999999 Atomic positions (fractional): 1 Ga 0.35876831351037 0.06250000000000 0.22090470355211 69.723 > 1 2 Ga 0.35876831351037 0.31250000000000 0.22090470355211 69.723 > 1 3 Ga 0.35876831351037 0.56250000000000 0.22090470355211 69.723 > 1 4 Ga 0.35876831351037 0.81250000000000 0.22090470355211 69.723 > 1 5 Ga 0.35876831351037 0.06250000000000 0.72090470355211 69.723 > 1 6 Ga 0.35876831351037 0.31250000000000 0.72090470355211 69.723 > 1 7 Ga 0.35876831351037 0.56250000000000 0.72090470355211 69.723 > 1 8 Ga 0.35876831351037 0.81250000000000 0.72090470355211 69.723 > 1 9 Ga 0.85876831351037 0.06250000000000 0.02909529644789 69.723 > 9 10 Ga 0.85876831351037 0.31250000000000 0.02909529644789 69.723 > 9 11 Ga 0.85876831351037 0.56250000000000 0.02909529644789 69.723 > 9 12 Ga 0.85876831351037 0.81250000000000 0.02909529644789 69.723 > 9 13 Ga 0.85876831351037 0.06250000000000 0.52909529644789 69.723 > 9 14 Ga 0.85876831351037 0.31250000000000 0.52909529644789 69.723 > 9 15 Ga 0.85876831351037 0.56250000000000 0.52909529644789 69.723 > 9 16 Ga 0.85876831351037 0.81250000000000 0.52909529644789 69.723 > 9 17 Ga 0.64123168648963 0.18750000000000 0.27909529644789 69.723 > 17 18 Ga 0.64123168648963 0.43750000000000 0.27909529644789 69.723 > 17 19 Ga 0.64123168648963 0.68750000000000 0.27909529644789 69.723 > 17 20 Ga 0.64123168648963 0.93750000000000 0.27909529644789 69.723 > 17 21 Ga 0.64123168648963 0.18750000000000 0.77909529644789 69.723 > 17 22 Ga 0.64123168648963 0.43750000000000 0.77909529644789 69.723 > 17 23 Ga 0.64123168648963 0.68750000000000 0.77909529644789 69.723 > 17 24 Ga 0.64123168648963 0.93750000000000 0.77909529644789 69.723 > 17 25 Ga 0.14123168648963 0.18750000000000 0.47090470355211 69.723 > 25 26 Ga 0.14123168648963 0.43750000000000 0.47090470355211 69.723 > 25 27 Ga 0.14123168648963 0.68750000000000 0.47090470355211 69.723 > 25 28 Ga 0.14123168648963 0.93750000000000 0.47090470355211 69.723 > 25 29 Ga 0.14123168648963 0.18750000000000 0.97090470355211 69.723 > 25 30 Ga 0.14123168648963 0.43750000000000 0.97090470355211 69.723 > 25 31 Ga 0.14123168648963 0.68750000000000 0.97090470355211 69.723 > 25 32 Ga 0.14123168648963 0.93750000000000 0.97090470355211 69.723 > 25 33 H 0.59865644716928 0.06250000000000 0.04410540323050 1.008 > 33 34 H 0.59865644716928 0.31250000000000 0.04410540323050 1.008 > 33 35 H 0.59865644716928 0.56250000000000 0.04410540323050 1.008 > 33 36 H 0.59865644716928 0.81250000000000 0.04410540323050 1.008 > 33 37 H 0.59865644716928 0.06250000000000 0.54410540323050 1.008 > 33 38 H 0.59865644716928 0.31250000000000 0.54410540323050 1.008 > 33 39 H 0.59865644716928 0.56250000000000 0.54410540323050 1.008 > 33 40 H 0.59865644716928 0.81250000000000 0.54410540323050 1.008 > 33 41 H 0.09865644716928 0.06250000000000 0.20589459676950 1.008 > 41 42 H 0.09865644716928 0.31250000000000 0.20589459676950 1.008 > 41 43 H 0.09865644716928 0.56250000000000 0.20589459676950 1.008 > 41 44 H 0.09865644716928 0.81250000000000 0.20589459676950 1.008 > 41 45 H 0.09865644716928 0.06250000000000 0.70589459676950 1.008 > 41 46 H 0.09865644716928 0.31250000000000 0.70589459676950 1.008 > 41 47 H 0.09865644716928 0.56250000000000 0.70589459676950 1.008 > 41 48 H 0.09865644716928 0.81250000000000 0.70589459676950 1.008 > 41 49 H 0.40134355283072 0.18750000000000 0.45589459676950 1.008 > 49 50 H 0.40134355283072 0.43750000000000 0.45589459676950 1.008 > 49 51 H 0.40134355283072 0.68750000000000 0.45589459676950 1.008 > 49 52 H 0.40134355283072 0.93750000000000 0.45589459676950 1.008 > 49 53 H 0.40134355283072 0.18750000000000 0.95589459676950 1.008 > 49 54 H 0.40134355283072 0.43750000000000 0.95589459676950 1.008 > 49 55 H 0.40134355283072 0.68750000000000 0.95589459676950 1.008 > 49 56 H 0.40134355283072 0.93750000000000 0.95589459676950 1.008 > 49 57 H 0.90134355283072 0.18750000000000 0.29410540323050 1.008 > 57 58 H 0.90134355283072 0.43750000000000 0.29410540323050 1.008 > 57 59 H 0.90134355283072 0.68750000000000 0.29410540323050 1.008 > 57 60 H 0.90134355283072 0.93750000000000 0.29410540323050 1.008 > 57 61 H 0.90134355283072 0.18750000000000 0.79410540323050 1.008 > 57 62 H 0.90134355283072 0.43750000000000 0.79410540323050 1.008 > 57 63 H 0.90134355283072 0.68750000000000 0.79410540323050 1.008 > 57 64 H 0.90134355283072 0.93750000000000 0.79410540323050 1.008 > 57 65 O 0.69114530434817 0.06250000000000 0.40895013898765 15.999 > 65 66 O 0.69114530434817 0.31250000000000 0.40895013898765 15.999 > 65 67 O 0.69114530434817 0.56250000000000 0.40895013898765 15.999 > 65 68 O 0.69114530434817 0.81250000000000 0.40895013898765 15.999 > 65 69 O 0.69114530434817 0.06250000000000 0.90895013898765 15.999 > 65 70 O 0.69114530434817 0.31250000000000 0.90895013898765 15.999 > 65 71 O 0.69114530434817 0.56250000000000 0.90895013898765 15.999 > 65 72 O 0.69114530434817 0.81250000000000 0.90895013898765 15.999 > 65 73 O 0.19114530434817 0.06250000000000 0.34104986101235 15.999 > 73 74 O 0.19114530434817 0.31250000000000 0.34104986101235 15.999 > 73 75 O 0.19114530434817 0.56250000000000 0.34104986101235 15.999 > 73 76 O 0.19114530434817 0.81250000000000 0.34104986101235 15.999 > 73 77 O 0.19114530434817 0.06250000000000 0.84104986101235 15.999 > 73 78 O 0.19114530434817 0.31250000000000 0.84104986101235 15.999 > 73 79 O 0.19114530434817 0.56250000000000 0.84104986101235 15.999 > 73 80 O 0.19114530434817 0.81250000000000 0.84104986101235 15.999 > 73 81 O 0.30885469565183 0.18750000000000 0.09104986101235 15.999 > 81 82 O 0.30885469565183 0.43750000000000 0.09104986101235 15.999 > 81 83 O 0.30885469565183 0.68750000000000 0.09104986101235 15.999 > 81 84 O 0.30885469565183 0.93750000000000 0.09104986101235 15.999 > 81 85 O 0.30885469565183 0.18750000000000 0.59104986101235 15.999 > 81 86 O 0.30885469565183 0.43750000000000 0.59104986101235 15.999 > 81 87 O 0.30885469565183 0.68750000000000 0.59104986101235 15.999 > 81 88 O 0.30885469565183 0.93750000000000 0.59104986101235 15.999 > 81 89 O 0.80885469565183 0.18750000000000 0.15895013898765 15.999 > 89 90 O 0.80885469565183 0.43750000000000 0.15895013898765 15.999 > 89 91 O 0.80885469565183 0.68750000000000 0.15895013898765 15.999 > 89 92 O 0.80885469565183 0.93750000000000 0.15895013898765 15.999 > 89 93 O 0.80885469565183 0.18750000000000 0.65895013898765 15.999 > 89 94 O 0.80885469565183 0.43750000000000 0.65895013898765 15.999 > 89 95 O 0.80885469565183 0.68750000000000 0.65895013898765 15.999 > 89 96 O 0.80885469565183 0.93750000000000 0.65895013898765 15.999 > 89 97 O 0.55884491655295 0.06250000000000 0.15230711062439 15.999 > 97 98 O 0.55884491655295 0.31250000000000 0.15230711062439 15.999 > 97 99 O 0.55884491655295 0.56250000000000 0.15230711062439 15.999 > 97 100 O 0.55884491655295 0.81250000000000 0.15230711062439 15.999 > 97 101 O 0.55884491655295 0.06250000000000 0.65230711062439 15.999 > 97 102 O 0.55884491655295 0.31250000000000 0.65230711062439 15.999 > 97 103 O 0.55884491655295 0.56250000000000 0.65230711062439 15.999 > 97 104 O 0.55884491655295 0.81250000000000 0.65230711062439 15.999 > 97 105 O 0.05884491655295 0.06250000000000 0.09769288937561 15.999 > 105 106 O 0.05884491655295 0.31250000000000 0.09769288937561 15.999 > 105 107 O 0.05884491655295 0.56250000000000 0.09769288937561 15.999 > 105 108 O 0.05884491655295 0.81250000000000 0.09769288937561 15.999 > 105 109 O 0.05884491655295 0.06250000000000 0.59769288937561 15.999 > 105 110 O 0.05884491655295 0.31250000000000 0.59769288937561 15.999 > 105 111 O 0.05884491655295 0.56250000000000 0.59769288937561 15.999 > 105 112 O 0.05884491655295 0.81250000000000 0.59769288937561 15.999 > 105 113 O 0.44115508344705 0.18750000000000 0.34769288937561 15.999 > 113 114 O 0.44115508344705 0.43750000000000 0.34769288937561 15.999 > 113 115 O 0.44115508344705 0.68750000000000 0.34769288937561 15.999 > 113 116 O 0.44115508344705 0.93750000000000 0.34769288937561 15.999 > 113 117 O 0.44115508344705 0.18750000000000 0.84769288937561 15.999 > 113 118 O 0.44115508344705 0.43750000000000 0.84769288937561 15.999 > 113 119 O 0.44115508344705 0.68750000000000 0.84769288937561 15.999 > 113 120 O 0.44115508344705 0.93750000000000 0.84769288937561 15.999 > 113 121 O 0.94115508344705 0.18750000000000 0.40230711062439 15.999 > 121 122 O 0.94115508344705 0.43750000000000 0.40230711062439 15.999 > 121 123 O 0.94115508344705 0.68750000000000 0.40230711062439 15.999 > 121 124 O 0.94115508344705 0.93750000000000 0.40230711062439 15.999 > 121 125 O 0.94115508344705 0.18750000000000 0.90230711062439 15.999 > 121 126 O 0.94115508344705 0.43750000000000 0.90230711062439 15.999 > 121 127 O 0.94115508344705 0.68750000000000 0.90230711062439 15.999 > 121 128 O 0.94115508344705 0.93750000000000 0.90230711062439 15.999 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8016147 0.0000000 0.0000000 0.0000000 3.7761156 0.0000000 0.0000000 0.0000000 3.8207148 -------------------------- Born effective charges -------------------------- 1 Ga 3.2697204 0.0000000 0.0000591 0.0000000 3.3629588 0.0000000 -0.0311185 0.0000000 2.9259342 2 Ga 3.2697204 0.0000000 -0.0000591 0.0000000 3.3629588 0.0000000 0.0311185 0.0000000 2.9259342 3 Ga 3.2697204 0.0000000 0.0000591 0.0000000 3.3629588 0.0000000 -0.0311185 0.0000000 2.9259342 4 Ga 3.2697204 0.0000000 -0.0000591 0.0000000 3.3629588 0.0000000 0.0311185 0.0000000 2.9259342 5 H 0.6800033 0.0000000 -0.7047155 0.0000000 0.2660647 0.0000000 -0.7396119 0.0000000 1.6103334 6 H 0.6800033 0.0000000 0.7047155 0.0000000 0.2660647 0.0000000 0.7396119 0.0000000 1.6103334 7 H 0.6800033 0.0000000 -0.7047155 0.0000000 0.2660647 0.0000000 -0.7396119 0.0000000 1.6103334 8 H 0.6800033 0.0000000 0.7047155 0.0000000 0.2660647 0.0000000 0.7396119 0.0000000 1.6103334 9 O -1.9586215 0.0000000 -0.1910373 0.0000000 -1.9885660 0.0000000 -0.1263049 0.0000000 -2.3875078 10 O -1.9586215 0.0000000 0.1910373 0.0000000 -1.9885660 0.0000000 0.1263049 0.0000000 -2.3875078 11 O -1.9586215 0.0000000 -0.1910373 0.0000000 -1.9885660 0.0000000 -0.1263049 0.0000000 -2.3875078 12 O -1.9586215 0.0000000 0.1910373 0.0000000 -1.9885660 0.0000000 0.1263049 0.0000000 -2.3875078 13 O -1.9911021 0.0000000 0.3548824 0.0000000 -1.6404575 0.0000000 0.2455630 0.0000000 -2.1487598 14 O -1.9911021 0.0000000 -0.3548824 0.0000000 -1.6404575 0.0000000 -0.2455630 0.0000000 -2.1487598 15 O -1.9911021 0.0000000 0.3548824 0.0000000 -1.6404575 0.0000000 0.2455630 0.0000000 -2.1487598 16 O -1.9911021 0.0000000 -0.3548824 0.0000000 -1.6404575 0.0000000 -0.2455630 0.0000000 -2.1487598 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (zzz) -0.00000004 (zzz) -0.00000004 (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 ... [ 5 17 11 ] 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: 0.82, Number of G-points: 311, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/162) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.464 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 7.482 ( 0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 0.000) 0.000 8.605 ( 0.000 0.000 0.000) 0.000 8.670 ( 0.000 0.000 0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.887 ( 0.000 0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 11.316 ( 0.000 0.000 0.000) 0.000 12.376 ( 0.000 0.000 0.000) 0.000 12.495 ( 0.000 0.000 0.000) 0.000 12.748 ( 0.000 0.000 0.000) 0.000 12.750 ( 0.000 0.000 0.000) 0.000 13.541 ( 0.000 0.000 0.000) 0.000 13.766 ( 0.000 0.000 0.000) 0.000 13.880 ( 0.000 0.000 0.000) 0.000 14.023 ( 0.000 0.000 0.000) 0.000 14.454 ( 0.000 0.000 0.000) 0.000 15.270 ( 0.000 0.000 0.000) 0.000 15.935 ( 0.000 0.000 0.000) 0.000 17.342 ( 0.000 0.000 0.000) 0.000 17.552 ( 0.000 0.000 0.000) 0.000 18.007 ( 0.000 0.000 0.000) 0.000 19.039 ( 0.000 0.000 0.000) 0.000 19.209 ( 0.000 0.000 0.000) 0.000 32.937 ( 0.000 0.000 0.000) 0.000 33.058 ( 0.000 0.000 0.000) 0.000 34.099 ( 0.000 0.000 0.000) 0.000 34.412 ( 0.000 0.000 0.000) 0.000 34.545 ( 0.000 0.000 0.000) 0.000 35.879 ( 0.000 0.000 0.000) 0.000 36.871 ( 0.000 0.000 0.000) 0.000 36.895 ( 0.000 0.000 0.000) 0.000 73.598 ( 0.000 0.000 0.000) 0.000 73.689 ( 0.000 0.000 0.000) 0.000 74.296 ( 0.000 0.000 0.000) 0.000 74.535 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/162) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 40.214 0.000 0.000) 40.214 0.882 ( 42.364 0.000 0.000) 42.364 1.441 ( 69.013 0.000 0.000) 69.013 3.020 ( -29.149 0.000 0.000) 29.149 3.022 ( -19.552 0.000 0.000) 19.552 4.069 ( 18.728 0.000 0.000) 18.728 4.783 ( -4.530 0.000 0.000) 4.530 5.136 ( -42.470 0.000 0.000) 42.470 5.296 ( 16.579 0.000 0.000) 16.579 6.504 ( -11.799 0.000 0.000) 11.799 6.881 ( 18.217 0.000 0.000) 18.217 7.466 ( -1.797 0.000 0.000) 1.797 8.541 ( 0.956 0.000 0.000) 0.956 8.652 ( -1.637 0.000 0.000) 1.637 8.698 ( 8.898 0.000 0.000) 8.898 9.616 ( -12.351 0.000 0.000) 12.351 9.935 ( 4.424 0.000 0.000) 4.424 10.293 ( -3.684 0.000 0.000) 3.684 11.407 ( 8.468 0.000 0.000) 8.468 12.317 ( -18.508 0.000 0.000) 18.508 12.384 ( 0.752 0.000 0.000) 0.752 12.479 ( -1.466 0.000 0.000) 1.466 13.078 ( 17.038 0.000 0.000) 17.038 13.622 ( 5.224 0.000 0.000) 5.224 13.795 ( 2.691 0.000 0.000) 2.691 13.884 ( 2.228 0.000 0.000) 2.228 14.002 ( -2.006 0.000 0.000) 2.006 14.521 ( 6.391 0.000 0.000) 6.391 14.569 ( -7.310 0.000 0.000) 7.310 15.184 ( -8.199 0.000 0.000) 8.199 16.908 ( 1.077 0.000 0.000) 1.077 17.269 ( -6.527 0.000 0.000) 6.527 17.624 ( 6.268 0.000 0.000) 6.268 17.983 ( -2.427 0.000 0.000) 2.427 19.081 ( 3.771 0.000 0.000) 3.771 19.332 ( -2.111 0.000 0.000) 2.111 32.948 ( 1.016 0.000 0.000) 1.016 33.046 ( -1.178 0.000 0.000) 1.178 34.425 ( 1.287 0.000 0.000) 1.287 34.533 ( -1.126 0.000 0.000) 1.126 35.872 ( 0.106 0.000 0.000) 0.106 35.878 ( -0.035 0.000 0.000) 0.035 36.873 ( 0.187 0.000 0.000) 0.187 36.893 ( -0.250 0.000 0.000) 0.250 73.629 ( 3.069 0.000 0.000) 3.069 74.104 ( -11.859 0.000 0.000) 11.859 74.763 ( 15.312 0.000 0.000) 15.312 75.548 ( -6.524 0.000 0.000) 6.524 ======================= Grid point 2 (3/162) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 37.920 0.000 0.000) 37.920 1.711 ( 38.317 0.000 0.000) 38.317 2.370 ( -34.265 0.000 0.000) 34.265 2.389 ( -20.264 0.000 0.000) 20.264 2.911 ( 53.402 0.000 0.000) 53.402 4.112 ( -56.325 0.000 0.000) 56.325 4.405 ( 14.093 0.000 0.000) 14.093 4.643 ( -9.214 0.000 0.000) 9.214 5.710 ( 22.505 0.000 0.000) 22.505 6.162 ( -20.556 0.000 0.000) 20.556 7.205 ( 12.591 0.000 0.000) 12.591 7.391 ( -5.989 0.000 0.000) 5.989 8.570 ( 1.789 0.000 0.000) 1.789 8.611 ( -2.189 0.000 0.000) 2.189 8.953 ( 15.524 0.000 0.000) 15.524 9.299 ( -17.382 0.000 0.000) 17.382 10.053 ( 6.682 0.000 0.000) 6.682 10.189 ( -6.246 0.000 0.000) 6.246 11.639 ( 13.735 0.000 0.000) 13.735 11.953 ( -16.857 0.000 0.000) 16.857 12.407 ( 1.481 0.000 0.000) 1.481 12.442 ( -1.907 0.000 0.000) 1.907 13.391 ( 13.259 0.000 0.000) 13.259 13.603 ( -6.899 0.000 0.000) 6.899 13.866 ( 3.918 0.000 0.000) 3.918 13.944 ( -3.508 0.000 0.000) 3.508 14.068 ( 14.081 0.000 0.000) 14.081 14.358 ( -12.994 0.000 0.000) 12.994 14.706 ( 11.366 0.000 0.000) 11.366 14.960 ( -12.732 0.000 0.000) 12.732 16.970 ( 5.196 0.000 0.000) 5.196 17.111 ( -8.063 0.000 0.000) 8.063 17.771 ( 7.353 0.000 0.000) 7.353 17.904 ( -5.366 0.000 0.000) 5.366 19.175 ( 4.979 0.000 0.000) 4.979 19.269 ( -4.003 0.000 0.000) 4.003 32.977 ( 1.714 0.000 0.000) 1.714 33.014 ( -1.813 0.000 0.000) 1.813 34.460 ( 1.990 0.000 0.000) 1.990 34.501 ( -1.891 0.000 0.000) 1.891 35.875 ( 0.135 0.000 0.000) 0.135 35.877 ( -0.092 0.000 0.000) 0.092 36.878 ( 0.334 0.000 0.000) 0.334 36.886 ( -0.373 0.000 0.000) 0.373 73.724 ( 6.245 0.000 0.000) 6.245 73.884 ( -9.433 0.000 0.000) 9.433 75.079 ( 15.022 0.000 0.000) 15.022 75.357 ( -11.835 0.000 0.000) 11.835 ======================= Grid point 5 (4/162) ======================= q-point: ( 0.00 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.000 33.042 0.000) 33.042 0.813 ( 0.000 40.906 0.000) 40.906 1.533 ( 0.000 76.550 0.000) 76.550 3.279 ( 0.000 4.010 0.000) 4.010 3.691 ( 0.000 21.129 0.000) 21.129 3.895 ( 0.000 14.997 0.000) 14.997 4.929 ( 0.000 5.159 0.000) 5.159 5.213 ( 0.000 15.608 0.000) 15.608 5.745 ( 0.000 8.187 0.000) 8.187 6.603 ( 0.000 5.755 0.000) 5.755 6.658 ( 0.000 -1.853 0.000) 1.853 7.446 ( 0.000 -3.579 0.000) 3.579 8.591 ( 0.000 -0.918 0.000) 0.918 8.648 ( 0.000 11.108 0.000) 11.108 9.378 ( 0.000 -4.738 0.000) 4.738 9.695 ( 0.000 -5.459 0.000) 5.459 10.058 ( 0.000 19.555 0.000) 19.555 10.114 ( 0.000 19.418 0.000) 19.418 10.429 ( 0.000 8.621 0.000) 8.621 11.282 ( 0.000 -3.537 0.000) 3.537 12.265 ( 0.000 -15.781 0.000) 15.781 12.700 ( 0.000 -4.974 0.000) 4.974 12.764 ( 0.000 1.705 0.000) 1.705 13.386 ( 0.000 -17.966 0.000) 17.966 13.790 ( 0.000 15.900 0.000) 15.900 14.113 ( 0.000 9.010 0.000) 9.010 14.345 ( 0.000 26.718 0.000) 26.718 14.576 ( 0.000 14.469 0.000) 14.469 15.235 ( 0.000 -3.491 0.000) 3.491 15.917 ( 0.000 -1.687 0.000) 1.687 17.331 ( 0.000 -1.010 0.000) 1.010 17.404 ( 0.000 0.270 0.000) 0.270 17.521 ( 0.000 -3.059 0.000) 3.059 17.941 ( 0.000 -6.725 0.000) 6.725 18.968 ( 0.000 -6.868 0.000) 6.868 19.177 ( 0.000 -3.247 0.000) 3.247 33.002 ( 0.000 6.385 0.000) 6.385 34.001 ( 0.000 2.970 0.000) 2.970 34.027 ( 0.000 -5.287 0.000) 5.287 34.528 ( 0.000 -1.760 0.000) 1.760 34.542 ( 0.000 11.060 0.000) 11.060 35.883 ( 0.000 0.594 0.000) 0.594 36.845 ( 0.000 -2.551 0.000) 2.551 36.856 ( 0.000 -3.846 0.000) 3.846 73.550 ( 0.000 -4.700 0.000) 4.700 73.639 ( 0.000 -4.937 0.000) 4.937 74.189 ( 0.000 -10.445 0.000) 10.445 74.442 ( 0.000 -9.163 0.000) 9.163 ======================= Grid point 6 (5/162) ======================= q-point: ( 0.20 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 33.559 18.216 0.000) 38.184 1.268 ( 31.940 29.065 0.000) 43.185 2.033 ( 44.461 55.068 0.000) 70.776 3.052 ( -19.592 3.830 0.000) 19.963 3.244 ( -28.064 20.262 0.000) 34.614 4.243 ( 18.384 16.334 0.000) 24.592 4.926 ( -2.355 11.186 0.000) 11.431 5.244 ( -39.957 11.432 0.000) 41.560 5.354 ( 14.148 8.796 0.000) 16.659 6.508 ( -12.003 0.386 0.000) 12.010 6.894 ( 17.576 1.959 0.000) 17.685 7.434 ( -1.442 -3.180 0.000) 3.492 8.661 ( 1.270 11.337 0.000) 11.408 8.669 ( 7.017 -0.992 0.000) 7.087 8.960 ( -10.926 20.526 0.000) 23.253 9.572 ( -11.391 -4.435 0.000) 12.223 10.018 ( 4.135 8.335 0.000) 9.305 10.384 ( -4.147 8.133 0.000) 9.130 11.320 ( 48.092 -36.376 0.000) 60.300 11.375 ( 8.654 -3.257 0.000) 9.247 12.246 ( -2.132 -16.123 0.000) 16.263 12.323 ( -19.458 -2.031 0.000) 19.564 13.099 ( 14.893 -2.035 0.000) 15.031 13.387 ( 0.278 -16.395 0.000) 16.397 13.912 ( 10.473 15.103 0.000) 18.379 14.101 ( -0.845 9.965 0.000) 10.001 14.326 ( -0.894 23.326 0.000) 23.343 14.657 ( 7.365 17.431 0.000) 18.923 15.102 ( -13.148 -0.667 0.000) 13.165 15.552 ( -25.026 33.950 0.000) 42.177 16.999 ( -12.746 7.599 0.000) 14.840 17.254 ( -6.936 -1.477 0.000) 7.091 17.577 ( 5.360 -4.316 0.000) 6.882 17.915 ( -2.595 -6.895 0.000) 7.367 19.014 ( 4.076 -6.487 0.000) 7.661 19.239 ( 0.810 -7.025 0.000) 7.071 33.015 ( 1.300 6.631 0.000) 6.758 33.283 ( -14.094 17.423 0.000) 22.410 34.391 ( 2.306 -4.201 0.000) 4.793 34.515 ( -1.215 -1.861 0.000) 2.222 35.367 ( 33.122 -25.905 0.000) 42.049 35.874 ( -0.949 -0.186 0.000) 0.967 36.844 ( -0.047 -2.707 0.000) 2.708 36.854 ( -0.179 -3.761 0.000) 3.765 73.575 ( 2.917 -5.315 0.000) 6.063 74.022 ( -10.820 -8.134 0.000) 13.536 74.574 ( 40.748 -53.027 0.000) 66.875 74.628 ( 12.471 -13.026 0.000) 18.033 ======================= Grid point 7 (6/162) ======================= q-point: ( 0.40 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 34.621 8.654 0.000) 35.686 1.930 ( 31.415 23.154 0.000) 39.026 2.495 ( -26.188 10.269 0.000) 28.129 2.633 ( -31.022 22.928 0.000) 38.575 3.155 ( 54.314 26.878 0.000) 60.601 4.266 ( -50.274 16.411 0.000) 52.885 4.590 ( 11.542 17.268 0.000) 20.770 4.811 ( -8.580 15.329 0.000) 17.567 5.737 ( 21.481 3.557 0.000) 21.774 6.172 ( -19.965 1.353 0.000) 20.010 7.200 ( 11.664 -0.198 0.000) 11.665 7.370 ( -5.301 -2.009 0.000) 5.668 8.699 ( 2.418 11.886 0.000) 12.129 8.752 ( -1.811 10.299 0.000) 10.457 8.970 ( 11.900 3.356 0.000) 12.365 9.277 ( -16.134 -2.167 0.000) 16.279 10.134 ( 6.697 7.607 0.000) 10.135 10.272 ( -6.466 7.635 0.000) 10.005 11.611 ( 13.957 -2.703 0.000) 14.216 11.888 ( 1.342 -14.015 0.000) 14.079 11.983 ( -1.735 -15.679 0.000) 15.775 12.162 ( -6.584 -18.975 0.000) 20.085 13.321 ( 6.784 -6.262 0.000) 9.233 13.390 ( -0.690 -12.733 0.000) 12.752 14.092 ( 3.417 17.034 0.000) 17.374 14.097 ( 0.575 13.760 0.000) 13.772 14.406 ( 11.863 16.030 0.000) 19.942 14.749 ( -19.043 11.098 0.000) 22.041 14.859 ( 12.130 21.628 0.000) 24.798 15.145 ( -15.973 28.850 0.000) 32.976 16.947 ( 4.003 -2.139 0.000) 4.539 17.086 ( -8.532 -2.507 0.000) 8.892 17.708 ( 6.786 -5.992 0.000) 9.053 17.834 ( -5.272 -6.854 0.000) 8.647 19.113 ( 5.116 -5.942 0.000) 7.841 19.205 ( -3.515 -5.986 0.000) 6.942 33.055 ( 2.562 7.577 0.000) 7.998 33.124 ( -4.502 10.175 0.000) 11.126 34.435 ( 2.256 -2.695 0.000) 3.515 34.481 ( -2.061 -2.159 0.000) 2.985 35.733 ( 8.645 -10.876 0.000) 13.893 35.838 ( -2.845 -3.154 0.000) 4.248 36.845 ( 0.159 -3.148 0.000) 3.152 36.850 ( -0.247 -3.521 0.000) 3.530 73.665 ( 5.945 -5.771 0.000) 8.285 73.817 ( -8.880 -6.610 0.000) 11.070 74.863 ( 9.404 -20.102 0.000) 22.193 74.953 ( 2.835 -33.884 0.000) 34.002 ======================= Grid point 10 (7/162) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.000 35.747 0.000) 35.747 1.612 ( 0.000 39.815 0.000) 39.815 3.002 ( 0.000 70.296 0.000) 70.296 3.407 ( 0.000 10.194 0.000) 10.194 4.189 ( 0.000 26.222 0.000) 26.222 4.229 ( 0.000 16.207 0.000) 16.207 4.968 ( 0.000 0.665 0.000) 0.665 5.745 ( 0.000 35.050 0.000) 35.050 5.996 ( 0.000 16.005 0.000) 16.005 6.637 ( 0.000 1.742 0.000) 1.742 6.806 ( 0.000 15.656 0.000) 15.656 7.343 ( 0.000 -6.694 0.000) 6.694 8.589 ( 0.000 1.000 0.000) 1.000 8.923 ( 0.000 15.255 0.000) 15.255 9.322 ( 0.000 -0.706 0.000) 0.706 9.541 ( 0.000 -10.026 0.000) 10.026 10.563 ( 0.000 24.461 0.000) 24.461 10.567 ( 0.000 30.241 0.000) 30.241 10.598 ( 0.000 6.574 0.000) 6.574 11.174 ( 0.000 -7.384 0.000) 7.384 12.071 ( 0.000 -1.530 0.000) 1.530 12.558 ( 0.000 -9.262 0.000) 9.262 12.816 ( 0.000 3.524 0.000) 3.524 13.137 ( 0.000 -6.662 0.000) 6.662 13.966 ( 0.000 2.695 0.000) 2.695 14.366 ( 0.000 16.032 0.000) 16.032 14.867 ( 0.000 25.570 0.000) 25.570 15.047 ( 0.000 30.185 0.000) 30.185 15.137 ( 0.000 -6.251 0.000) 6.251 15.876 ( 0.000 -2.276 0.000) 2.276 17.307 ( 0.000 -1.229 0.000) 1.229 17.409 ( 0.000 0.078 0.000) 0.078 17.435 ( 0.000 -5.431 0.000) 5.431 17.738 ( 0.000 -13.747 0.000) 13.747 18.788 ( 0.000 -10.772 0.000) 10.772 19.082 ( 0.000 -6.302 0.000) 6.302 33.178 ( 0.000 11.086 0.000) 11.086 33.933 ( 0.000 -3.798 0.000) 3.798 34.084 ( 0.000 5.200 0.000) 5.200 34.473 ( 0.000 -3.734 0.000) 3.734 34.801 ( 0.000 14.627 0.000) 14.627 35.911 ( 0.000 2.480 0.000) 2.480 36.751 ( 0.000 -6.526 0.000) 6.526 36.774 ( 0.000 -4.501 0.000) 4.501 73.419 ( 0.000 -8.329 0.000) 8.329 73.501 ( 0.000 -8.764 0.000) 8.764 73.910 ( 0.000 -16.893 0.000) 16.893 74.191 ( 0.000 -15.635 0.000) 15.635 ======================= Grid point 11 (8/162) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 20.995 28.891 0.000) 35.714 1.871 ( 22.426 32.047 0.000) 39.114 3.178 ( -14.229 11.751 0.000) 18.454 3.289 ( 21.036 64.254 0.000) 67.610 3.688 ( -27.389 21.560 0.000) 34.857 4.632 ( 17.776 20.610 0.000) 27.216 5.061 ( 6.605 2.481 0.000) 7.056 5.605 ( -31.826 24.405 0.000) 40.106 5.765 ( 3.055 31.233 0.000) 31.382 6.522 ( -10.534 1.629 0.000) 10.659 7.003 ( 13.059 10.483 0.000) 16.746 7.347 ( 0.073 -5.299 0.000) 5.299 8.655 ( 6.402 -0.039 0.000) 6.402 8.936 ( 1.157 14.830 0.000) 14.875 9.244 ( -5.617 7.518 0.000) 9.385 9.443 ( -9.012 -8.423 0.000) 12.335 10.310 ( -3.117 21.688 0.000) 21.911 10.551 ( -4.106 7.235 0.000) 8.319 11.174 ( 30.829 12.454 0.000) 33.250 11.276 ( 9.347 -6.868 0.000) 11.599 12.054 ( -2.113 -0.911 0.000) 2.301 12.258 ( -19.216 -4.740 0.000) 19.792 13.046 ( 11.851 -2.584 0.000) 12.129 13.149 ( 1.313 -7.010 0.000) 7.132 14.079 ( 10.535 2.300 0.000) 10.783 14.373 ( 1.229 16.947 0.000) 16.992 14.766 ( -6.668 23.173 0.000) 24.114 15.028 ( -10.039 -5.317 0.000) 11.360 15.199 ( 11.587 32.057 0.000) 34.087 15.886 ( -0.602 5.790 0.000) 5.821 17.140 ( -19.093 5.781 0.000) 19.950 17.213 ( -8.424 -2.628 0.000) 8.825 17.470 ( 3.328 -6.122 0.000) 6.968 17.715 ( -2.283 -13.063 0.000) 13.261 18.843 ( 4.883 -10.196 0.000) 11.305 19.092 ( -0.093 -7.922 0.000) 7.923 33.197 ( 1.852 11.340 0.000) 11.490 33.591 ( -15.311 13.012 0.000) 20.093 34.270 ( 5.470 -6.271 0.000) 8.321 34.457 ( -1.520 -3.934 0.000) 4.218 35.159 ( 25.178 1.564 0.000) 25.227 35.886 ( -2.609 1.747 0.000) 3.140 36.752 ( 0.101 -6.318 0.000) 6.318 36.770 ( -0.352 -4.625 0.000) 4.639 73.428 ( 2.299 -9.166 0.000) 9.450 73.797 ( -8.194 -14.064 0.000) 16.277 73.861 ( 25.646 -24.187 0.000) 35.253 74.291 ( 6.631 -19.901 0.000) 20.976 ======================= Grid point 12 (9/162) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 27.090 18.896 0.000) 33.029 2.366 ( 17.280 21.059 0.000) 27.242 2.763 ( -14.479 16.290 0.000) 21.795 3.107 ( -28.828 22.208 0.000) 36.390 3.969 ( 39.615 51.847 0.000) 65.249 4.776 ( -29.779 33.265 0.000) 44.647 5.001 ( 0.463 22.443 0.000) 22.448 5.119 ( -2.477 11.914 0.000) 12.169 5.925 ( 12.935 17.459 0.000) 21.729 6.239 ( -16.070 6.285 0.000) 17.255 7.223 ( 7.943 3.700 0.000) 8.762 7.327 ( -2.568 -1.607 0.000) 3.029 8.833 ( 9.861 -0.627 0.000) 9.881 8.954 ( -0.640 10.792 0.000) 10.811 9.152 ( -2.393 11.153 0.000) 11.407 9.225 ( -10.029 -1.937 0.000) 10.215 10.340 ( 4.440 13.682 0.000) 14.384 10.449 ( -5.566 9.537 0.000) 11.042 11.528 ( 14.893 -5.999 0.000) 16.056 11.688 ( 18.660 2.669 0.000) 18.849 11.871 ( -18.047 -4.307 0.000) 18.554 11.957 ( -8.144 0.740 0.000) 8.178 13.187 ( 1.954 -7.393 0.000) 7.647 13.193 ( 2.564 -6.005 0.000) 6.530 14.347 ( 13.428 4.332 0.000) 14.109 14.429 ( 3.522 18.696 0.000) 19.025 14.641 ( -4.147 16.594 0.000) 17.104 14.766 ( -14.046 -2.578 0.000) 14.281 15.475 ( 14.962 33.157 0.000) 36.377 15.767 ( -11.700 25.558 0.000) 28.109 16.905 ( -1.553 -1.388 0.000) 2.083 17.014 ( -9.573 -4.745 0.000) 10.684 17.556 ( 4.698 -8.714 0.000) 9.900 17.649 ( -4.078 -11.275 0.000) 11.990 18.958 ( 5.672 -9.309 0.000) 10.900 19.055 ( -3.522 -8.754 0.000) 9.436 33.256 ( 3.994 12.177 0.000) 12.816 33.369 ( -7.483 13.582 0.000) 15.508 34.352 ( 3.343 -5.408 0.000) 6.358 34.414 ( -2.675 -4.511 0.000) 5.244 35.579 ( 15.026 -3.044 0.000) 15.331 35.794 ( -6.850 -0.456 0.000) 6.865 36.755 ( 0.248 -5.763 0.000) 5.768 36.762 ( -0.392 -5.089 0.000) 5.104 73.505 ( 5.090 -10.134 0.000) 11.340 73.633 ( -7.393 -11.606 0.000) 13.760 74.275 ( 12.555 -31.439 0.000) 33.853 74.381 ( 0.937 -26.331 0.000) 26.348 ======================= Grid point 15 (10/162) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 0.000 36.740 0.000) 36.740 2.381 ( 0.000 37.709 0.000) 37.709 3.585 ( 0.000 12.497 0.000) 12.497 4.390 ( 0.000 64.861 0.000) 64.861 4.481 ( 0.000 9.196 0.000) 9.196 4.630 ( 0.000 17.036 0.000) 17.036 4.991 ( 0.000 1.954 0.000) 1.954 6.194 ( 0.000 0.487 0.000) 0.487 6.512 ( 0.000 41.001 0.000) 41.001 6.907 ( 0.000 28.043 0.000) 28.043 7.189 ( 0.000 -8.651 0.000) 8.651 7.245 ( 0.000 28.480 0.000) 28.480 8.636 ( 0.000 3.787 0.000) 3.787 9.196 ( 0.000 11.206 0.000) 11.206 9.311 ( 0.000 -12.632 0.000) 12.632 9.352 ( 0.000 3.705 0.000) 3.705 10.659 ( 0.000 0.099 0.000) 0.099 10.997 ( 0.000 -10.186 0.000) 10.186 11.033 ( 0.000 22.091 0.000) 22.091 11.187 ( 0.000 30.709 0.000) 30.709 12.206 ( 0.000 13.415 0.000) 13.415 12.344 ( 0.000 -11.999 0.000) 11.999 12.906 ( 0.000 5.671 0.000) 5.671 13.128 ( 0.000 5.412 0.000) 5.412 13.971 ( 0.000 -0.865 0.000) 0.865 14.726 ( 0.000 19.817 0.000) 19.817 14.999 ( 0.000 -7.337 0.000) 7.337 15.344 ( 0.000 22.511 0.000) 22.511 15.652 ( 0.000 29.176 0.000) 29.176 15.837 ( 0.000 -1.384 0.000) 1.384 17.290 ( 0.000 -0.316 0.000) 0.316 17.310 ( 0.000 -6.905 0.000) 6.905 17.402 ( 0.000 -20.070 0.000) 20.070 17.408 ( 0.000 -0.453 0.000) 0.453 18.563 ( 0.000 -11.632 0.000) 11.632 18.930 ( 0.000 -8.992 0.000) 8.992 33.424 ( 0.000 13.287 0.000) 13.287 33.881 ( 0.000 -1.466 0.000) 1.466 34.198 ( 0.000 6.051 0.000) 6.051 34.385 ( 0.000 -4.959 0.000) 4.959 35.107 ( 0.000 16.047 0.000) 16.047 35.984 ( 0.000 4.786 0.000) 4.786 36.610 ( 0.000 -7.463 0.000) 7.463 36.675 ( 0.000 -5.348 0.000) 5.348 73.233 ( 0.000 -10.189 0.000) 10.189 73.304 ( 0.000 -10.760 0.000) 10.760 73.555 ( 0.000 -18.291 0.000) 18.291 73.849 ( 0.000 -18.347 0.000) 18.347 ======================= Grid point 16 (11/162) ======================= q-point: ( 0.20 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 12.870 33.170 0.000) 35.579 2.519 ( 12.827 32.969 0.000) 35.376 3.418 ( -14.807 14.254 0.000) 20.553 4.035 ( -26.401 13.668 0.000) 29.730 4.574 ( 17.493 62.259 0.000) 64.670 4.976 ( 16.684 12.837 0.000) 21.051 5.090 ( 8.135 1.545 0.000) 8.280 6.049 ( -14.414 12.607 0.000) 19.150 6.448 ( -5.046 33.948 0.000) 34.321 6.699 ( -14.638 22.773 0.000) 27.072 7.257 ( 5.566 -1.721 0.000) 5.826 7.349 ( 5.717 24.380 0.000) 25.042 8.678 ( 4.229 2.512 0.000) 4.918 9.168 ( -4.266 3.410 0.000) 5.462 9.276 ( -1.676 -3.594 0.000) 3.966 9.341 ( -1.032 4.179 0.000) 4.305 10.646 ( -0.686 2.606 0.000) 2.695 10.789 ( -10.050 23.959 0.000) 25.981 11.111 ( 10.298 -9.379 0.000) 13.929 11.559 ( 20.851 22.672 0.000) 30.802 12.133 ( -16.331 -7.543 0.000) 17.989 12.200 ( -0.890 13.591 0.000) 13.620 13.020 ( 6.964 0.436 0.000) 6.977 13.118 ( -0.735 3.777 0.000) 3.848 14.078 ( 10.009 -1.036 0.000) 10.063 14.744 ( 1.824 19.249 0.000) 19.335 14.916 ( -7.463 -4.943 0.000) 8.951 15.228 ( -8.471 22.844 0.000) 24.363 15.805 ( 11.777 27.947 0.000) 30.328 15.924 ( 7.720 -0.374 0.000) 7.729 17.135 ( -11.868 -6.767 0.000) 13.662 17.212 ( -13.547 0.919 0.000) 13.578 17.352 ( 0.409 -4.952 0.000) 4.968 17.431 ( 0.683 -13.641 0.000) 13.658 18.628 ( 5.653 -11.286 0.000) 12.623 18.920 ( -1.298 -9.609 0.000) 9.696 33.446 ( 2.177 13.350 0.000) 13.526 33.789 ( -7.614 6.848 0.000) 10.241 34.201 ( 1.176 -0.102 0.000) 1.180 34.366 ( -1.829 -5.047 0.000) 5.369 35.299 ( 15.390 10.749 0.000) 18.772 35.949 ( -3.523 4.558 0.000) 5.761 36.615 ( 0.549 -7.210 0.000) 7.231 36.668 ( -0.628 -5.495 0.000) 5.531 73.228 ( 1.219 -10.762 0.000) 10.831 73.477 ( 13.197 -16.343 0.000) 21.006 73.490 ( -5.230 -16.307 0.000) 17.125 73.881 ( 1.909 -20.790 0.000) 20.878 ======================= Grid point 17 (12/162) ======================= q-point: ( 0.40 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 19.282 25.804 0.000) 32.213 2.797 ( 4.134 22.882 0.000) 23.253 3.128 ( -2.730 20.286 0.000) 20.468 3.490 ( -25.945 17.330 0.000) 31.200 5.051 ( 27.459 53.972 0.000) 60.555 5.226 ( 6.949 9.513 0.000) 11.781 5.243 ( 4.923 2.676 0.000) 5.604 5.620 ( -26.242 36.701 0.000) 45.118 6.368 ( -1.268 22.652 0.000) 22.688 6.443 ( -8.856 15.493 0.000) 17.846 7.368 ( 4.406 8.369 0.000) 9.458 7.412 ( 0.344 16.902 0.000) 16.906 8.810 ( 8.569 -0.745 0.000) 8.601 9.008 ( -9.939 -3.531 0.000) 10.547 9.280 ( 1.309 5.836 0.000) 5.981 9.312 ( -1.661 5.480 0.000) 5.726 10.641 ( 0.202 9.429 0.000) 9.432 10.665 ( -2.805 17.578 0.000) 17.800 11.384 ( 15.877 -8.027 0.000) 17.791 11.727 ( -15.522 -5.784 0.000) 16.565 11.964 ( 11.084 17.371 0.000) 20.606 12.145 ( -5.297 15.281 0.000) 16.173 13.105 ( 1.379 -2.346 0.000) 2.721 13.110 ( 0.023 -0.045 0.000) 0.051 14.345 ( 15.065 -1.796 0.000) 15.172 14.648 ( -13.245 -1.776 0.000) 13.364 14.880 ( 6.417 19.394 0.000) 20.428 15.047 ( -8.986 22.057 0.000) 23.817 16.047 ( 9.728 23.485 0.000) 25.420 16.090 ( 5.865 7.572 0.000) 9.577 16.897 ( -8.615 -6.980 0.000) 11.088 16.917 ( -11.064 2.749 0.000) 11.401 17.384 ( 2.007 -8.242 0.000) 8.483 17.421 ( -1.395 -10.746 0.000) 10.836 18.758 ( 6.303 -10.757 0.000) 12.468 18.866 ( -4.069 -10.301 0.000) 11.076 33.514 ( 4.517 13.386 0.000) 14.127 33.631 ( -7.004 12.429 0.000) 14.266 34.248 ( 3.114 -4.327 0.000) 5.331 34.314 ( -3.081 -5.117 0.000) 5.973 35.612 ( 13.639 5.477 0.000) 14.698 35.833 ( -8.066 4.266 0.000) 9.124 36.631 ( 0.928 -6.596 0.000) 6.661 36.651 ( -0.976 -5.938 0.000) 6.018 73.281 ( 3.806 -12.059 0.000) 12.645 73.377 ( -5.414 -13.818 0.000) 14.841 73.740 ( 10.681 -23.114 0.000) 25.462 73.879 ( -2.964 -23.768 0.000) 23.952 ======================= Grid point 20 (13/162) ======================= q-point: ( 0.00 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 0.000 35.360 0.000) 35.360 3.096 ( 0.000 34.531 0.000) 34.531 3.860 ( 0.000 15.270 0.000) 15.270 4.613 ( 0.000 4.812 0.000) 4.812 4.861 ( 0.000 7.093 0.000) 7.093 5.048 ( 0.000 3.617 0.000) 3.617 5.567 ( 0.000 52.436 0.000) 52.436 6.101 ( 0.000 -7.723 0.000) 7.723 7.026 ( 0.000 -6.409 0.000) 6.409 7.315 ( 0.000 39.151 0.000) 39.151 7.599 ( 0.000 38.123 0.000) 38.123 7.875 ( 0.000 32.690 0.000) 32.690 8.739 ( 0.000 6.618 0.000) 6.618 9.076 ( 0.000 -9.720 0.000) 9.720 9.344 ( 0.000 3.835 0.000) 3.835 9.466 ( 0.000 7.808 0.000) 7.808 10.634 ( 0.000 -2.120 0.000) 2.120 10.786 ( 0.000 -10.701 0.000) 10.701 11.394 ( 0.000 12.979 0.000) 12.979 11.718 ( 0.000 21.638 0.000) 21.638 12.114 ( 0.000 -9.615 0.000) 9.615 12.521 ( 0.000 16.887 0.000) 16.887 13.041 ( 0.000 7.735 0.000) 7.735 13.318 ( 0.000 12.654 0.000) 12.654 13.964 ( 0.000 0.642 0.000) 0.642 14.867 ( 0.000 -5.285 0.000) 5.285 15.122 ( 0.000 19.426 0.000) 19.426 15.751 ( 0.000 18.524 0.000) 18.524 15.828 ( 0.000 0.643 0.000) 0.643 16.162 ( 0.000 21.937 0.000) 21.937 16.960 ( 0.000 -24.196 0.000) 24.196 17.169 ( 0.000 -7.194 0.000) 7.194 17.300 ( 0.000 1.395 0.000) 1.395 17.391 ( 0.000 -1.170 0.000) 1.170 18.336 ( 0.000 -11.191 0.000) 11.191 18.730 ( 0.000 -11.160 0.000) 11.160 33.687 ( 0.000 12.946 0.000) 12.946 33.875 ( 0.000 0.768 0.000) 0.768 34.288 ( 0.000 -4.600 0.000) 4.600 34.311 ( 0.000 5.141 0.000) 5.141 35.425 ( 0.000 15.908 0.000) 15.908 36.093 ( 0.000 5.935 0.000) 5.935 36.468 ( 0.000 -6.637 0.000) 6.637 36.572 ( 0.000 -4.847 0.000) 4.847 73.029 ( 0.000 -10.156 0.000) 10.156 73.088 ( 0.000 -10.798 0.000) 10.798 73.211 ( 0.000 -16.053 0.000) 16.053 73.487 ( 0.000 -17.771 0.000) 17.771 ======================= Grid point 21 (14/162) ======================= q-point: ( 0.20 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 7.964 33.265 0.000) 34.205 3.160 ( 6.052 31.584 0.000) 32.159 3.735 ( -10.878 17.491 0.000) 20.598 4.259 ( -22.266 9.757 0.000) 24.310 5.118 ( 6.078 2.368 0.000) 6.522 5.129 ( 13.762 3.309 0.000) 14.154 5.706 ( 12.372 48.559 0.000) 50.110 6.077 ( -1.857 -5.080 0.000) 5.409 6.861 ( -10.025 6.811 0.000) 12.120 7.390 ( -17.118 40.993 0.000) 44.424 7.499 ( 12.305 28.331 0.000) 30.888 7.905 ( 0.606 29.219 0.000) 29.226 8.758 ( 1.958 5.607 0.000) 5.940 9.041 ( -3.551 -6.943 0.000) 7.799 9.353 ( 0.788 3.629 0.000) 3.714 9.445 ( -1.838 6.624 0.000) 6.874 10.659 ( 3.636 -1.411 0.000) 3.900 10.924 ( 11.828 -9.002 0.000) 14.864 11.183 ( -12.595 14.662 0.000) 19.329 11.867 ( -3.874 -1.505 0.000) 4.156 12.082 ( 7.581 11.458 0.000) 13.739 12.506 ( -1.444 15.836 0.000) 15.901 13.075 ( 2.541 5.224 0.000) 5.809 13.279 ( -3.402 11.577 0.000) 12.066 14.071 ( 9.808 0.852 0.000) 9.845 14.797 ( -6.730 -3.792 0.000) 7.724 15.163 ( 4.121 19.721 0.000) 20.147 15.652 ( -7.848 19.756 0.000) 21.257 15.907 ( 7.485 -0.841 0.000) 7.532 16.273 ( 8.188 18.637 0.000) 20.357 16.866 ( -7.964 -19.027 0.000) 20.626 17.148 ( -3.216 -6.067 0.000) 6.867 17.282 ( -1.272 -1.860 0.000) 2.253 17.315 ( -5.700 0.205 0.000) 5.704 18.404 ( 5.869 -11.228 0.000) 12.669 18.712 ( -1.831 -11.342 0.000) 11.489 33.708 ( 2.016 12.745 0.000) 12.903 33.875 ( -0.378 2.694 0.000) 2.721 34.255 ( -4.121 4.489 0.000) 6.094 34.270 ( -1.672 -4.374 0.000) 4.683 35.541 ( 9.877 13.052 0.000) 16.368 36.057 ( -3.493 6.102 0.000) 7.031 36.478 ( 0.968 -6.444 0.000) 6.517 36.562 ( -0.921 -4.999 0.000) 5.083 73.016 ( 0.259 -10.338 0.000) 10.341 73.177 ( -2.990 -14.945 0.000) 15.241 73.185 ( 7.379 -13.417 0.000) 15.312 73.488 ( -0.338 -18.640 0.000) 18.643 ======================= Grid point 22 (15/162) ======================= q-point: ( 0.40 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 12.922 28.241 0.000) 31.057 3.271 ( -1.939 24.815 0.000) 24.890 3.550 ( 0.747 22.064 0.000) 22.076 3.819 ( -19.648 16.355 0.000) 25.564 5.252 ( 5.877 -0.198 0.000) 5.880 5.302 ( 2.428 -0.021 0.000) 2.428 5.971 ( 10.041 31.132 0.000) 32.711 6.053 ( -0.489 5.628 0.000) 5.649 6.752 ( 2.353 22.424 0.000) 22.547 6.998 ( -18.899 40.177 0.000) 44.400 7.728 ( 9.355 26.177 0.000) 27.798 7.868 ( -4.331 26.506 0.000) 26.857 8.825 ( 4.632 2.534 0.000) 5.280 8.938 ( -5.959 -1.919 0.000) 6.260 9.374 ( 1.224 3.580 0.000) 3.783 9.405 ( -1.849 4.557 0.000) 4.918 10.783 ( 7.813 3.901 0.000) 8.733 10.959 ( -9.493 10.665 0.000) 14.278 11.225 ( 16.907 -7.840 0.000) 18.637 11.585 ( -17.580 -7.806 0.000) 19.235 12.323 ( 10.109 16.360 0.000) 19.231 12.457 ( -3.713 14.583 0.000) 15.049 13.126 ( 2.703 5.026 0.000) 5.707 13.197 ( -4.143 8.836 0.000) 9.759 14.323 ( 13.883 0.218 0.000) 13.885 14.599 ( -12.276 -1.537 0.000) 12.372 15.292 ( 8.211 20.613 0.000) 22.189 15.474 ( -9.164 20.682 0.000) 22.621 16.116 ( 12.313 -3.286 0.000) 12.744 16.339 ( -5.823 3.094 0.000) 6.594 16.781 ( 4.327 -1.852 0.000) 4.707 16.982 ( -11.689 2.353 0.000) 11.923 17.254 ( -0.465 -4.072 0.000) 4.099 17.261 ( -0.772 -4.907 0.000) 4.968 18.538 ( 6.455 -11.395 0.000) 13.096 18.650 ( -4.340 -11.499 0.000) 12.290 33.767 ( 3.586 11.742 0.000) 12.278 33.840 ( -3.086 8.245 0.000) 8.804 34.203 ( -0.354 0.034 0.000) 0.356 34.228 ( -2.154 -3.310 0.000) 3.949 35.762 ( 10.620 9.037 0.000) 13.945 35.948 ( -7.293 6.877 0.000) 10.024 36.504 ( 1.537 -5.965 0.000) 6.160 36.536 ( -1.509 -5.415 0.000) 5.621 73.045 ( 2.390 -11.448 0.000) 11.695 73.107 ( -3.483 -13.048 0.000) 13.505 73.342 ( 7.137 -17.460 0.000) 18.862 73.453 ( -3.471 -19.271 0.000) 19.581 ======================= Grid point 25 (16/162) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 0.000 31.936 0.000) 31.936 3.741 ( 0.000 30.576 0.000) 30.576 4.179 ( 0.000 16.622 0.000) 16.622 4.693 ( 0.000 3.693 0.000) 3.693 4.947 ( 0.000 2.473 0.000) 2.473 5.126 ( 0.000 3.975 0.000) 3.975 5.924 ( 0.000 -9.946 0.000) 9.946 6.276 ( 0.000 12.154 0.000) 12.154 7.113 ( 0.000 22.162 0.000) 22.162 8.025 ( 0.000 31.966 0.000) 31.966 8.314 ( 0.000 31.850 0.000) 31.850 8.355 ( 0.000 9.945 0.000) 9.945 8.898 ( 0.000 9.491 0.000) 9.491 9.064 ( 0.000 13.506 0.000) 13.506 9.373 ( 0.000 0.561 0.000) 0.561 9.651 ( 0.000 10.497 0.000) 10.497 10.581 ( 0.000 -3.267 0.000) 3.267 10.586 ( 0.000 -9.278 0.000) 9.278 11.469 ( 0.000 -5.549 0.000) 5.549 12.011 ( 0.000 7.981 0.000) 7.981 12.063 ( 0.000 5.523 0.000) 5.523 12.846 ( 0.000 15.909 0.000) 15.909 13.186 ( 0.000 5.866 0.000) 5.866 13.584 ( 0.000 13.292 0.000) 13.292 14.008 ( 0.000 3.937 0.000) 3.937 14.819 ( 0.000 1.099 0.000) 1.099 15.454 ( 0.000 12.879 0.000) 12.879 15.877 ( 0.000 4.990 0.000) 4.990 16.069 ( 0.000 12.856 0.000) 12.856 16.466 ( 0.000 -24.572 0.000) 24.572 16.512 ( 0.000 13.491 0.000) 13.491 17.030 ( 0.000 -6.885 0.000) 6.885 17.345 ( 0.000 3.005 0.000) 3.005 17.367 ( 0.000 -1.078 0.000) 1.078 18.123 ( 0.000 -10.279 0.000) 10.279 18.493 ( 0.000 -12.650 0.000) 12.650 33.910 ( 0.000 2.692 0.000) 2.692 33.921 ( 0.000 10.417 0.000) 10.417 34.211 ( 0.000 -2.995 0.000) 2.995 34.390 ( 0.000 2.625 0.000) 2.625 35.726 ( 0.000 14.344 0.000) 14.344 36.208 ( 0.000 5.422 0.000) 5.422 36.357 ( 0.000 -4.375 0.000) 4.375 36.490 ( 0.000 -3.281 0.000) 3.281 72.841 ( 0.000 -8.620 0.000) 8.620 72.888 ( 0.000 -9.289 0.000) 9.289 72.931 ( 0.000 -12.111 0.000) 12.111 73.160 ( 0.000 -15.024 0.000) 15.024 ======================= Grid point 26 (17/162) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( 4.920 30.669 0.000) 31.062 3.759 ( 1.742 28.862 0.000) 28.914 4.095 ( -7.228 18.485 0.000) 19.848 4.443 ( -15.994 9.156 0.000) 18.429 5.142 ( 10.371 -1.244 0.000) 10.445 5.167 ( 3.559 2.509 0.000) 4.355 5.933 ( 1.593 -8.733 0.000) 8.878 6.270 ( -1.757 4.811 0.000) 5.121 7.166 ( 6.721 30.572 0.000) 31.302 8.113 ( 7.436 29.844 0.000) 30.757 8.172 ( -12.895 34.336 0.000) 36.677 8.357 ( -0.394 13.786 0.000) 13.792 8.900 ( 0.323 8.794 0.000) 8.800 9.037 ( -2.261 8.818 0.000) 9.103 9.401 ( 2.065 3.019 0.000) 3.658 9.602 ( -4.300 9.025 0.000) 9.997 10.589 ( 5.391 -5.368 0.000) 7.608 10.767 ( 12.608 -7.030 0.000) 14.436 11.320 ( -11.867 -1.483 0.000) 11.960 11.767 ( -14.012 -2.897 0.000) 14.308 12.342 ( 14.446 10.849 0.000) 18.066 12.803 ( -3.826 14.385 0.000) 14.885 13.204 ( 2.117 6.536 0.000) 6.870 13.532 ( -4.364 12.867 0.000) 13.586 14.124 ( 10.033 4.524 0.000) 11.006 14.771 ( -4.945 1.778 0.000) 5.255 15.502 ( 4.859 12.946 0.000) 13.827 15.915 ( 3.664 2.837 0.000) 4.633 15.998 ( -6.161 14.484 0.000) 15.740 16.356 ( -7.130 -17.293 0.000) 18.705 16.647 ( 8.723 5.722 0.000) 10.433 17.021 ( -1.000 -6.403 0.000) 6.480 17.296 ( -3.820 2.542 0.000) 4.588 17.323 ( -3.892 0.494 0.000) 3.923 18.187 ( 5.470 -10.647 0.000) 11.970 18.475 ( -1.864 -12.582 0.000) 12.719 33.925 ( 1.365 2.768 0.000) 3.086 33.935 ( 1.224 9.856 0.000) 9.932 34.202 ( -0.788 -2.368 0.000) 2.495 34.339 ( -4.403 3.419 0.000) 5.575 35.797 ( 6.279 12.511 0.000) 13.999 36.178 ( -2.933 5.765 0.000) 6.468 36.370 ( 1.250 -4.259 0.000) 4.439 36.478 ( -1.169 -3.377 0.000) 3.573 72.828 ( -0.233 -8.534 0.000) 8.537 72.913 ( -1.617 -11.514 0.000) 11.627 72.946 ( 4.362 -10.798 0.000) 11.646 73.153 ( -0.911 -15.164 0.000) 15.191 ======================= Grid point 27 (18/162) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( 8.457 27.502 0.000) 28.773 3.767 ( -4.109 25.152 0.000) 25.485 3.984 ( 0.807 21.365 0.000) 21.380 4.143 ( -12.449 16.349 0.000) 20.550 5.244 ( 3.247 -0.571 0.000) 3.297 5.268 ( 1.794 -2.764 0.000) 3.295 6.017 ( 6.697 -6.412 0.000) 9.271 6.173 ( -7.315 -3.680 0.000) 8.189 7.422 ( 17.652 39.228 0.000) 43.017 7.823 ( -19.946 39.191 0.000) 43.975 8.265 ( 6.090 25.664 0.000) 26.376 8.340 ( -1.617 19.262 0.000) 19.330 8.920 ( 1.888 7.171 0.000) 7.416 8.978 ( -3.324 6.437 0.000) 7.245 9.444 ( 2.289 4.511 0.000) 5.058 9.508 ( -4.193 6.114 0.000) 7.414 10.783 ( 12.546 -3.382 0.000) 12.994 11.056 ( -13.531 -0.897 0.000) 13.561 11.076 ( 17.131 -7.450 0.000) 18.681 11.439 ( -17.701 -6.610 0.000) 18.895 12.576 ( 8.243 9.889 0.000) 12.874 12.707 ( -5.345 11.287 0.000) 12.488 13.288 ( 6.035 9.765 0.000) 11.480 13.422 ( -6.334 12.273 0.000) 13.811 14.367 ( 12.812 4.301 0.000) 13.514 14.612 ( -10.452 3.146 0.000) 10.915 15.651 ( 9.160 13.656 0.000) 16.444 15.842 ( -8.871 15.157 0.000) 17.563 16.023 ( 6.819 -3.808 0.000) 7.810 16.187 ( -8.853 -12.989 0.000) 15.719 16.831 ( 8.665 3.327 0.000) 9.282 16.972 ( -4.512 -2.993 0.000) 5.414 17.231 ( -1.774 1.708 0.000) 2.463 17.242 ( -2.901 2.182 0.000) 3.630 18.310 ( 5.939 -11.493 0.000) 12.936 18.414 ( -4.076 -12.228 0.000) 12.890 33.955 ( 1.234 3.910 0.000) 4.101 33.960 ( 0.825 7.423 0.000) 7.469 34.194 ( 0.631 0.146 0.000) 0.648 34.244 ( -4.116 3.357 0.000) 5.311 35.948 ( 7.670 9.291 0.000) 12.048 36.088 ( -5.792 6.952 0.000) 9.049 36.404 ( 1.977 -3.971 0.000) 4.436 36.445 ( -1.927 -3.635 0.000) 4.114 72.839 ( 1.252 -9.175 0.000) 9.260 72.874 ( -1.994 -10.297 0.000) 10.488 73.040 ( 4.494 -13.232 0.000) 13.974 73.116 ( -2.773 -14.842 0.000) 15.099 ======================= Grid point 30 (19/162) ======================= q-point: ( 0.00 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( 0.000 27.057 0.000) 27.057 4.304 ( 0.000 26.430 0.000) 26.430 4.503 ( 0.000 15.845 0.000) 15.845 4.768 ( 0.000 3.970 0.000) 3.970 4.980 ( 0.000 1.153 0.000) 1.153 5.193 ( 0.000 2.520 0.000) 2.520 5.713 ( 0.000 -11.368 0.000) 11.368 6.207 ( 0.000 -11.612 0.000) 11.612 7.736 ( 0.000 33.304 0.000) 33.304 8.348 ( 0.000 -4.631 0.000) 4.631 8.557 ( 0.000 21.370 0.000) 21.370 8.727 ( 0.000 7.070 0.000) 7.070 9.114 ( 0.000 12.222 0.000) 12.222 9.480 ( 0.000 13.043 0.000) 13.043 9.505 ( 0.000 24.788 0.000) 24.788 9.852 ( 0.000 8.709 0.000) 8.709 10.428 ( 0.000 -6.503 0.000) 6.503 10.502 ( 0.000 -4.728 0.000) 4.728 11.300 ( 0.000 -8.299 0.000) 8.299 12.050 ( 0.000 -3.398 0.000) 3.398 12.255 ( 0.000 12.051 0.000) 12.051 13.159 ( 0.000 16.072 0.000) 16.072 13.237 ( 0.000 -0.900 0.000) 0.900 13.812 ( 0.000 9.237 0.000) 9.237 14.117 ( 0.000 6.987 0.000) 6.987 14.917 ( 0.000 8.271 0.000) 8.271 15.596 ( 0.000 2.054 0.000) 2.054 15.906 ( 0.000 -25.404 0.000) 25.404 16.041 ( 0.000 10.714 0.000) 10.714 16.355 ( 0.000 9.710 0.000) 9.710 16.703 ( 0.000 6.195 0.000) 6.195 16.895 ( 0.000 -6.881 0.000) 6.881 17.361 ( 0.000 0.866 0.000) 0.866 17.412 ( 0.000 3.669 0.000) 3.669 17.933 ( 0.000 -8.887 0.000) 8.887 18.235 ( 0.000 -13.288 0.000) 13.288 33.978 ( 0.000 4.199 0.000) 4.199 34.090 ( 0.000 6.509 0.000) 6.509 34.172 ( 0.000 -1.015 0.000) 1.015 34.410 ( 0.000 -0.603 0.000) 0.603 35.985 ( 0.000 11.650 0.000) 11.650 36.299 ( 0.000 3.635 0.000) 3.635 36.299 ( 0.000 -1.435 0.000) 1.435 36.442 ( 0.000 -1.653 0.000) 1.653 72.693 ( 0.000 -6.228 0.000) 6.228 72.727 ( 0.000 -6.902 0.000) 6.902 72.734 ( 0.000 -7.830 0.000) 7.830 72.900 ( 0.000 -11.231 0.000) 11.231 ======================= Grid point 31 (20/162) ======================= q-point: ( 0.20 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( 3.186 26.440 0.000) 26.631 4.297 ( -0.615 25.542 0.000) 25.550 4.450 ( -4.600 17.123 0.000) 17.731 4.625 ( -9.307 9.139 0.000) 13.043 5.103 ( 7.189 -2.359 0.000) 7.566 5.208 ( 1.213 1.335 0.000) 1.803 5.742 ( 3.137 -10.588 0.000) 11.043 6.152 ( -5.196 -11.686 0.000) 12.789 7.844 ( 10.178 33.002 0.000) 34.535 8.381 ( 2.551 -1.131 0.000) 2.790 8.620 ( 5.261 20.769 0.000) 21.425 8.740 ( 0.123 12.752 0.000) 12.753 9.103 ( -0.918 11.529 0.000) 11.566 9.295 ( -10.205 16.612 0.000) 19.496 9.588 ( 1.739 15.970 0.000) 16.065 9.780 ( -6.367 8.042 0.000) 10.257 10.477 ( 6.241 -5.210 0.000) 8.130 10.631 ( 10.960 -6.936 0.000) 12.970 11.197 ( -9.198 -7.771 0.000) 12.041 11.738 ( -19.737 -2.334 0.000) 19.874 12.522 ( 14.369 8.457 0.000) 16.672 13.089 ( -6.298 14.826 0.000) 16.108 13.287 ( 5.214 1.264 0.000) 5.365 13.752 ( -4.739 8.809 0.000) 10.003 14.246 ( 10.587 7.596 0.000) 13.030 14.873 ( -4.557 8.085 0.000) 9.281 15.621 ( 2.457 -0.144 0.000) 2.461 15.872 ( -3.096 -23.280 0.000) 23.485 16.059 ( 1.780 10.736 0.000) 10.883 16.303 ( -4.341 11.058 0.000) 11.880 16.763 ( 4.776 3.732 0.000) 6.061 16.896 ( 0.099 -6.372 0.000) 6.373 17.343 ( -1.605 1.916 0.000) 2.500 17.366 ( -3.671 4.194 0.000) 5.574 17.987 ( 4.521 -9.573 0.000) 10.587 18.220 ( -1.534 -13.048 0.000) 13.138 33.991 ( 1.158 3.925 0.000) 4.092 34.085 ( -0.638 5.066 0.000) 5.106 34.182 ( 1.168 0.477 0.000) 1.262 34.376 ( -3.075 0.244 0.000) 3.085 36.025 ( 3.674 10.368 0.000) 11.000 36.274 ( -2.130 3.629 0.000) 4.208 36.316 ( 1.334 -1.005 0.000) 1.670 36.430 ( -1.230 -1.612 0.000) 2.028 72.683 ( -0.324 -6.016 0.000) 6.025 72.725 ( -0.843 -7.517 0.000) 7.564 72.761 ( 2.561 -7.869 0.000) 8.275 72.892 ( -0.810 -11.142 0.000) 11.172 ======================= Grid point 32 (21/162) ======================= q-point: ( 0.40 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( 5.901 24.909 0.000) 25.599 4.254 ( -4.918 23.841 0.000) 24.343 4.382 ( 0.251 18.636 0.000) 18.638 4.458 ( -6.434 15.240 0.000) 16.542 5.206 ( 2.781 -3.355 0.000) 4.357 5.227 ( 0.321 -1.216 0.000) 1.258 5.849 ( 7.142 -10.178 0.000) 12.434 6.011 ( -8.072 -11.101 0.000) 13.725 8.119 ( 15.352 29.251 0.000) 33.035 8.374 ( -6.470 13.718 0.000) 15.167 8.708 ( 1.894 19.302 0.000) 19.394 8.713 ( -0.924 20.482 0.000) 20.503 9.093 ( 0.645 9.829 0.000) 9.850 9.141 ( -4.339 9.502 0.000) 10.446 9.595 ( 0.199 10.753 0.000) 10.755 9.646 ( -5.253 7.385 0.000) 9.063 10.686 ( 13.235 -5.506 0.000) 14.334 10.920 ( 17.094 -8.354 0.000) 19.026 10.964 ( -13.063 -6.708 0.000) 14.685 11.316 ( -20.956 -6.497 0.000) 21.940 12.758 ( 9.299 9.428 0.000) 13.242 12.934 ( -8.271 12.153 0.000) 14.700 13.447 ( 9.496 5.256 0.000) 10.853 13.628 ( -7.599 7.786 0.000) 10.880 14.490 ( 12.465 7.904 0.000) 14.759 14.724 ( -9.832 7.911 0.000) 12.619 15.695 ( 4.549 -7.246 0.000) 8.555 15.791 ( -4.562 -16.728 0.000) 17.339 16.114 ( 3.614 11.387 0.000) 11.947 16.204 ( -4.982 12.110 0.000) 13.094 16.854 ( 3.457 -0.805 0.000) 3.549 16.894 ( -0.627 -4.556 0.000) 4.598 17.304 ( -1.622 4.953 0.000) 5.212 17.307 ( -1.512 4.076 0.000) 4.348 18.087 ( 4.796 -11.014 0.000) 12.013 18.171 ( -3.294 -12.287 0.000) 12.721 34.022 ( 1.849 3.364 0.000) 3.838 34.060 ( -1.689 3.350 0.000) 3.752 34.225 ( 3.051 2.178 0.000) 3.749 34.300 ( -4.027 1.730 0.000) 4.383 36.118 ( 4.917 7.698 0.000) 9.134 36.211 ( -3.995 5.278 0.000) 6.619 36.352 ( 2.084 -1.320 0.000) 2.467 36.395 ( -2.030 -1.498 0.000) 2.523 72.686 ( 0.583 -6.233 0.000) 6.260 72.704 ( -1.054 -6.839 0.000) 6.920 72.817 ( 2.718 -9.417 0.000) 9.802 72.865 ( -1.887 -10.620 0.000) 10.786 ======================= Grid point 35 (22/162) ======================= q-point: ( 0.00 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.486 ( 0.000 21.794 0.000) 21.794 4.788 ( 0.000 22.513 0.000) 22.513 4.792 ( 0.000 13.104 0.000) 13.104 4.850 ( 0.000 4.211 0.000) 4.211 4.996 ( 0.000 0.304 0.000) 0.304 5.216 ( 0.000 -0.296 0.000) 0.296 5.473 ( 0.000 -12.912 0.000) 12.912 5.929 ( 0.000 -15.718 0.000) 15.718 8.283 ( 0.000 -0.938 0.000) 0.938 8.318 ( 0.000 24.872 0.000) 24.872 8.673 ( 0.000 -8.581 0.000) 8.581 8.858 ( 0.000 8.865 0.000) 8.865 9.373 ( 0.000 13.688 0.000) 13.688 9.811 ( 0.000 16.773 0.000) 16.773 9.927 ( 0.000 16.868 0.000) 16.868 9.947 ( 0.000 -0.077 0.000) 0.077 10.333 ( 0.000 -3.120 0.000) 3.120 10.398 ( 0.000 -5.615 0.000) 5.615 11.225 ( 0.000 1.922 0.000) 1.922 11.902 ( 0.000 -10.969 0.000) 10.969 12.509 ( 0.000 13.354 0.000) 13.354 13.160 ( 0.000 -6.463 0.000) 6.463 13.481 ( 0.000 16.103 0.000) 16.103 13.935 ( 0.000 2.981 0.000) 2.981 14.286 ( 0.000 10.300 0.000) 10.300 15.113 ( 0.000 10.713 0.000) 10.713 15.396 ( 0.000 -25.330 0.000) 25.330 15.577 ( 0.000 -3.361 0.000) 3.361 16.254 ( 0.000 10.268 0.000) 10.268 16.533 ( 0.000 7.841 0.000) 7.841 16.754 ( 0.000 -7.363 0.000) 7.363 16.770 ( 0.000 0.847 0.000) 0.847 17.412 ( 0.000 4.478 0.000) 4.478 17.485 ( 0.000 3.695 0.000) 3.695 17.775 ( 0.000 -7.084 0.000) 7.084 17.975 ( 0.000 -12.874 0.000) 12.874 34.072 ( 0.000 5.190 0.000) 5.190 34.168 ( 0.000 0.539 0.000) 0.539 34.178 ( 0.000 2.587 0.000) 2.587 34.370 ( 0.000 -3.358 0.000) 3.358 36.183 ( 0.000 8.316 0.000) 8.316 36.296 ( 0.000 0.934 0.000) 0.934 36.348 ( 0.000 1.302 0.000) 1.302 36.417 ( 0.000 -1.174 0.000) 1.174 72.596 ( 0.000 -3.567 0.000) 3.567 72.616 ( 0.000 -4.242 0.000) 4.242 72.619 ( 0.000 -3.831 0.000) 3.831 72.718 ( 0.000 -7.230 0.000) 7.230 ======================= Grid point 36 (23/162) ======================= q-point: ( 0.20 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.512 ( 2.573 21.721 0.000) 21.873 4.752 ( -2.388 15.843 0.000) 16.022 4.776 ( -2.338 20.200 0.000) 20.335 4.797 ( -3.615 8.015 0.000) 8.792 5.055 ( 4.260 -2.415 0.000) 4.897 5.211 ( -0.571 -1.232 0.000) 1.357 5.514 ( 3.880 -12.519 0.000) 13.106 5.881 ( -4.518 -15.233 0.000) 15.889 8.367 ( 7.601 0.900 0.000) 7.654 8.404 ( 7.725 23.477 0.000) 24.715 8.751 ( 6.949 -6.762 0.000) 9.696 8.915 ( 4.734 8.654 0.000) 9.864 9.351 ( -1.864 13.383 0.000) 13.513 9.691 ( -10.441 19.745 0.000) 22.336 9.877 ( -6.100 0.862 0.000) 6.160 9.893 ( -3.466 12.642 0.000) 13.108 10.397 ( 6.342 -2.808 0.000) 6.936 10.494 ( 9.028 -6.590 0.000) 11.177 11.105 ( -10.524 -0.104 0.000) 10.525 11.632 ( -20.930 -8.442 0.000) 22.569 12.706 ( 13.574 10.385 0.000) 17.091 13.252 ( 8.690 -4.530 0.000) 9.800 13.391 ( -8.024 15.438 0.000) 17.399 13.867 ( -5.618 2.608 0.000) 6.194 14.418 ( 10.868 9.903 0.000) 14.703 15.063 ( -5.051 10.396 0.000) 11.558 15.406 ( 1.074 -23.040 0.000) 23.065 15.560 ( -1.693 -5.137 0.000) 5.409 16.276 ( 2.126 10.409 0.000) 10.623 16.501 ( -2.832 8.676 0.000) 9.126 16.765 ( 1.076 -6.901 0.000) 6.984 16.791 ( 1.577 -0.644 0.000) 1.703 17.409 ( -0.285 4.912 0.000) 4.920 17.454 ( -2.442 4.649 0.000) 5.251 17.812 ( 3.061 -8.095 0.000) 8.655 17.965 ( -0.963 -12.543 0.000) 12.580 34.078 ( 0.589 4.864 0.000) 4.899 34.145 ( -1.290 1.972 0.000) 2.357 34.207 ( 1.857 1.171 0.000) 2.195 34.350 ( -1.773 -2.721 0.000) 3.248 36.202 ( 1.752 7.422 0.000) 7.626 36.304 ( 0.553 0.943 0.000) 1.093 36.339 ( -0.627 1.591 0.000) 1.710 36.407 ( -0.997 -0.969 0.000) 1.390 72.591 ( -0.170 -3.302 0.000) 3.307 72.615 ( -0.453 -3.691 0.000) 3.719 72.635 ( 1.404 -4.880 0.000) 5.078 72.712 ( -0.562 -7.118 0.000) 7.140 ======================= Grid point 37 (24/162) ======================= q-point: ( 0.40 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.588 ( 4.672 21.020 0.000) 21.533 4.688 ( -4.554 17.620 0.000) 18.199 4.726 ( -1.075 18.378 0.000) 18.409 4.736 ( -1.920 12.909 0.000) 13.052 5.136 ( 3.366 -3.809 0.000) 5.083 5.188 ( -1.739 -2.925 0.000) 3.403 5.622 ( 6.413 -12.693 0.000) 14.221 5.761 ( -6.762 -13.964 0.000) 15.515 8.541 ( 7.277 6.608 0.000) 9.829 8.566 ( 5.456 17.082 0.000) 17.932 8.909 ( 7.068 -0.602 0.000) 7.093 8.985 ( 0.379 6.773 0.000) 6.784 9.329 ( 1.098 14.633 0.000) 14.674 9.454 ( -10.803 19.848 0.000) 22.597 9.765 ( -2.656 3.625 0.000) 4.494 9.800 ( -4.728 8.164 0.000) 9.434 10.590 ( 12.000 -3.695 0.000) 12.556 10.756 ( 16.700 -7.843 0.000) 18.450 10.853 ( -13.189 -3.221 0.000) 13.576 11.169 ( -22.836 -8.343 0.000) 24.312 12.964 ( 11.612 11.343 0.000) 16.232 13.192 ( -10.778 13.741 0.000) 17.464 13.481 ( 12.431 -1.758 0.000) 12.555 13.713 ( -9.646 0.619 0.000) 9.665 14.667 ( 12.632 9.774 0.000) 15.972 14.906 ( -10.141 9.934 0.000) 14.196 15.446 ( 2.809 -17.152 0.000) 17.381 15.509 ( -3.074 -10.273 0.000) 10.723 16.340 ( 3.993 10.546 0.000) 11.276 16.427 ( -4.227 9.961 0.000) 10.821 16.794 ( 1.460 -5.569 0.000) 5.757 16.811 ( 0.059 -3.399 0.000) 3.400 17.403 ( -0.155 5.782 0.000) 5.784 17.412 ( -1.260 5.911 0.000) 6.044 17.879 ( 3.175 -9.987 0.000) 10.479 17.934 ( -2.144 -11.569 0.000) 11.766 34.095 ( 1.041 4.008 0.000) 4.141 34.119 ( -1.261 2.939 0.000) 3.198 34.251 ( 2.440 0.138 0.000) 2.444 34.304 ( -2.597 -1.285 0.000) 2.897 36.247 ( 2.441 5.330 0.000) 5.863 36.293 ( -1.795 3.008 0.000) 3.503 36.346 ( 1.382 0.442 0.000) 1.451 36.379 ( -1.613 -0.412 0.000) 1.665 72.593 ( 0.336 -3.215 0.000) 3.232 72.603 ( -0.588 -3.404 0.000) 3.454 72.666 ( 1.546 -5.879 0.000) 6.079 72.694 ( -1.159 -6.690 0.000) 6.789 ======================= Grid point 40 (25/162) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.868 ( 0.000 16.418 0.000) 16.418 4.927 ( 0.000 3.276 0.000) 3.276 4.990 ( 0.000 -0.333 0.000) 0.333 5.013 ( 0.000 8.966 0.000) 8.966 5.125 ( 0.000 1.440 0.000) 1.440 5.200 ( 0.000 -14.695 0.000) 14.695 5.249 ( 0.000 13.841 0.000) 13.841 5.598 ( 0.000 -17.666 0.000) 17.666 8.327 ( 0.000 5.324 0.000) 5.324 8.481 ( 0.000 -9.622 0.000) 9.622 8.713 ( 0.000 15.055 0.000) 15.055 8.905 ( 0.000 -3.951 0.000) 3.951 9.637 ( 0.000 12.550 0.000) 12.550 9.852 ( 0.000 -8.637 0.000) 8.637 10.074 ( 0.000 9.373 0.000) 9.373 10.147 ( 0.000 4.280 0.000) 4.280 10.295 ( 0.000 -1.281 0.000) 1.281 10.297 ( 0.000 -3.419 0.000) 3.419 11.373 ( 0.000 11.906 0.000) 11.906 11.644 ( 0.000 -14.313 0.000) 14.313 12.769 ( 0.000 12.557 0.000) 12.557 12.995 ( 0.000 -10.073 0.000) 10.073 13.765 ( 0.000 11.770 0.000) 11.770 13.924 ( 0.000 -4.199 0.000) 4.199 14.541 ( 0.000 16.031 0.000) 16.031 14.922 ( 0.000 -22.132 0.000) 22.132 15.315 ( 0.000 9.393 0.000) 9.393 15.476 ( 0.000 -6.712 0.000) 6.712 16.441 ( 0.000 8.706 0.000) 8.706 16.604 ( 0.000 -7.876 0.000) 7.876 16.664 ( 0.000 5.480 0.000) 5.480 16.748 ( 0.000 -2.845 0.000) 2.845 17.539 ( 0.000 8.303 0.000) 8.303 17.561 ( 0.000 4.095 0.000) 4.095 17.653 ( 0.000 -5.304 0.000) 5.304 17.734 ( 0.000 -11.225 0.000) 11.225 34.179 ( 0.000 5.527 0.000) 5.527 34.186 ( 0.000 1.059 0.000) 1.059 34.200 ( 0.000 -0.086 0.000) 0.086 34.285 ( 0.000 -4.997 0.000) 4.997 36.314 ( 0.000 4.983 0.000) 4.983 36.325 ( 0.000 1.698 0.000) 1.698 36.352 ( 0.000 -0.751 0.000) 0.751 36.385 ( 0.000 -2.379 0.000) 2.379 72.552 ( 0.000 -0.946 0.000) 0.946 72.559 ( 0.000 -1.621 0.000) 1.621 72.580 ( 0.000 -0.163 0.000) 0.163 72.613 ( 0.000 -3.434 0.000) 3.434 ======================= Grid point 41 (26/162) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.881 ( 0.991 12.751 0.000) 12.789 4.949 ( 2.276 9.366 0.000) 9.639 4.989 ( -2.021 9.564 0.000) 9.775 5.004 ( 1.540 -2.156 0.000) 2.650 5.117 ( -0.885 0.892 0.000) 1.256 5.214 ( -3.257 13.415 0.000) 13.805 5.244 ( 3.973 -14.763 0.000) 15.288 5.559 ( -3.640 -17.250 0.000) 17.630 8.433 ( 9.811 5.770 0.000) 11.382 8.583 ( 9.487 -8.876 0.000) 12.991 8.776 ( 5.105 14.189 0.000) 15.079 8.959 ( 4.251 -3.938 0.000) 5.795 9.610 ( -2.120 12.060 0.000) 12.245 9.807 ( -3.751 -7.407 0.000) 8.302 9.990 ( -8.205 9.629 0.000) 12.651 10.055 ( -7.315 3.115 0.000) 7.951 10.360 ( 6.578 -0.787 0.000) 6.625 10.389 ( 7.926 -3.642 0.000) 8.722 11.204 ( -14.717 9.236 0.000) 17.376 11.423 ( -18.648 -11.828 0.000) 22.083 12.922 ( 12.335 10.908 0.000) 16.466 13.119 ( 10.966 -8.659 0.000) 13.972 13.673 ( -8.403 12.212 0.000) 14.824 13.846 ( -7.113 -4.925 0.000) 8.652 14.650 ( 9.401 13.967 0.000) 16.836 14.981 ( 5.534 -19.453 0.000) 20.225 15.263 ( -5.225 9.510 0.000) 10.850 15.432 ( -4.267 -7.586 0.000) 8.704 16.463 ( 2.167 8.642 0.000) 8.909 16.622 ( 1.812 -7.588 0.000) 7.801 16.647 ( -1.640 6.179 0.000) 6.393 16.746 ( -0.363 -3.747 0.000) 3.765 17.540 ( 0.017 8.260 0.000) 8.260 17.551 ( -0.740 5.300 0.000) 5.352 17.667 ( 1.209 -6.536 0.000) 6.647 17.731 ( -0.343 -10.938 0.000) 10.943 34.179 ( -0.048 5.168 0.000) 5.169 34.182 ( -0.242 1.789 0.000) 1.805 34.210 ( 0.811 -0.813 0.000) 1.148 34.277 ( -0.792 -4.543 0.000) 4.611 36.318 ( 0.410 4.395 0.000) 4.414 36.330 ( 0.429 1.445 0.000) 1.508 36.351 ( -0.102 -0.392 0.000) 0.405 36.380 ( -0.462 -2.009 0.000) 2.061 72.553 ( 0.150 -0.626 0.000) 0.644 72.567 ( 0.647 -2.054 0.000) 2.154 72.577 ( -0.320 -0.140 0.000) 0.350 72.609 ( -0.373 -3.373 0.000) 3.394 ======================= Grid point 42 (27/162) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.905 ( 1.441 9.846 0.000) 9.951 4.943 ( -2.260 10.005 0.000) 10.257 5.017 ( 4.071 14.798 0.000) 15.348 5.051 ( 2.897 -3.243 0.000) 4.348 5.085 ( -2.264 2.700 0.000) 3.524 5.130 ( -4.620 10.138 0.000) 11.141 5.346 ( 5.617 -15.293 0.000) 16.292 5.462 ( -5.499 -16.266 0.000) 17.170 8.678 ( 12.253 7.326 0.000) 14.276 8.821 ( 12.091 -6.664 0.000) 13.805 8.838 ( -1.652 10.900 0.000) 11.025 8.994 ( -3.112 -4.517 0.000) 5.485 9.607 ( 3.717 11.671 0.000) 12.249 9.763 ( 1.514 -4.014 0.000) 4.289 9.775 ( -11.230 11.159 0.000) 15.832 9.883 ( -8.678 -0.153 0.000) 8.680 10.557 ( 12.674 0.769 0.000) 12.697 10.622 ( 15.046 -5.408 0.000) 15.989 10.864 ( -16.844 4.249 0.000) 17.372 10.998 ( -21.027 -8.439 0.000) 22.657 13.193 ( 13.422 11.201 0.000) 17.481 13.385 ( 13.860 -7.691 0.000) 15.851 13.456 ( -12.174 12.301 0.000) 17.307 13.651 ( -11.699 -6.820 0.000) 13.542 14.876 ( 11.875 11.529 0.000) 16.551 15.105 ( -9.945 10.122 0.000) 14.190 15.131 ( 8.609 -14.429 0.000) 16.802 15.306 ( -7.860 -10.228 0.000) 12.899 16.525 ( 3.629 8.289 0.000) 9.049 16.598 ( -3.184 7.413 0.000) 8.068 16.672 ( 2.822 -6.745 0.000) 7.311 16.724 ( -1.912 -5.402 0.000) 5.731 17.539 ( -0.075 8.002 0.000) 8.003 17.540 ( -0.262 7.089 0.000) 7.094 17.695 ( 1.352 -8.580 0.000) 8.686 17.719 ( -0.921 -10.083 0.000) 10.125 34.178 ( -0.014 4.222 0.000) 4.222 34.179 ( -0.106 2.991 0.000) 2.993 34.231 ( 1.154 -2.047 0.000) 2.349 34.255 ( -1.201 -3.407 0.000) 3.612 36.328 ( 0.522 2.958 0.000) 3.004 36.336 ( -0.092 1.513 0.000) 1.516 36.353 ( 0.492 -0.136 0.000) 0.510 36.367 ( -0.752 -1.077 0.000) 1.314 72.559 ( 0.423 -0.288 0.000) 0.512 72.568 ( -0.487 -0.141 0.000) 0.507 72.582 ( 0.813 -2.673 0.000) 2.794 72.598 ( -0.685 -3.138 0.000) 3.212 ======================= Grid point 85 (28/162) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 0.000 0.000 33.443) 33.443 0.819 ( 0.000 0.000 39.292) 39.292 1.264 ( 0.000 0.000 61.916) 61.916 3.374 ( 0.000 0.000 12.261) 12.261 3.498 ( 0.000 0.000 3.294) 3.294 3.729 ( 0.000 0.000 -0.330) 0.330 4.801 ( 0.000 0.000 -18.040) 18.040 4.812 ( 0.000 0.000 -1.707) 1.707 6.061 ( 0.000 0.000 26.481) 26.481 6.355 ( 0.000 0.000 -14.645) 14.645 6.685 ( 0.000 0.000 1.618) 1.618 7.729 ( 0.000 0.000 17.504) 17.504 8.512 ( 0.000 0.000 -1.817) 1.817 8.648 ( 0.000 0.000 -2.178) 2.178 8.671 ( 0.000 0.000 7.608) 7.608 9.546 ( 0.000 0.000 8.576) 8.576 9.883 ( 0.000 0.000 -0.346) 0.346 10.312 ( 0.000 0.000 -1.930) 1.930 11.311 ( 0.000 0.000 -1.529) 1.529 12.400 ( 0.000 0.000 2.395) 2.395 12.508 ( 0.000 0.000 -21.223) 21.223 12.536 ( 0.000 0.000 3.916) 3.916 12.573 ( 0.000 0.000 -12.613) 12.613 12.761 ( 0.000 0.000 -16.457) 16.457 13.669 ( 0.000 0.000 -17.608) 17.608 13.742 ( 0.000 0.000 -2.432) 2.432 13.792 ( 0.000 0.000 19.111) 19.111 13.992 ( 0.000 0.000 -2.954) 2.954 15.152 ( 0.000 0.000 -9.624) 9.624 16.184 ( 0.000 0.000 20.425) 20.425 16.273 ( 0.000 0.000 -3.052) 3.052 17.773 ( 0.000 0.000 18.752) 18.752 17.911 ( 0.000 0.000 -8.992) 8.992 18.993 ( 0.000 0.000 -3.421) 3.421 19.244 ( 0.000 0.000 3.538) 3.538 19.259 ( 0.000 0.000 3.809) 3.809 32.975 ( 0.000 0.000 3.700) 3.700 33.092 ( 0.000 0.000 3.256) 3.256 34.128 ( 0.000 0.000 2.639) 2.639 34.389 ( 0.000 0.000 -2.237) 2.237 34.517 ( 0.000 0.000 -2.742) 2.742 35.814 ( 0.000 0.000 -9.818) 9.818 36.873 ( 0.000 0.000 -1.827) 1.827 36.895 ( 0.000 0.000 2.042) 2.042 73.529 ( 0.000 0.000 -9.903) 9.903 73.608 ( 0.000 0.000 0.878) 0.878 75.011 ( 0.000 0.000 39.709) 39.709 81.748 ( 0.000 0.000 -10.256) 10.256 ======================= Grid point 86 (29/162) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 29.241 0.000 22.336) 36.796 1.071 ( 30.431 0.000 20.682) 36.794 1.978 ( 51.034 0.000 41.529) 65.796 3.060 ( -28.132 0.000 3.812) 28.389 3.124 ( -21.398 0.000 9.654) 23.475 4.066 ( 18.362 0.000 -0.230) 18.363 4.766 ( -4.454 0.000 -1.633) 4.744 4.814 ( -7.897 0.000 -14.008) 16.080 5.655 ( -15.061 0.000 15.931) 21.923 6.481 ( -10.771 0.000 1.583) 10.887 6.859 ( 21.489 0.000 -0.741) 21.502 7.692 ( -3.994 0.000 15.918) 16.411 8.522 ( 0.945 0.000 -1.828) 2.058 8.631 ( -1.572 0.000 -2.105) 2.628 8.753 ( 8.556 0.000 6.964) 11.032 9.552 ( -5.239 0.000 1.017) 5.337 9.929 ( 4.233 0.000 -0.550) 4.268 10.274 ( -3.578 0.000 -1.821) 4.015 11.321 ( 4.417 0.000 -4.930) 6.619 12.133 ( -17.841 0.000 -16.156) 24.069 12.410 ( 0.919 0.000 2.555) 2.715 12.518 ( -1.597 0.000 3.789) 4.112 12.823 ( 13.847 0.000 -20.217) 24.504 13.321 ( 26.729 0.000 -35.981) 44.823 13.615 ( 0.372 0.000 -15.108) 15.113 13.770 ( 2.636 0.000 -2.485) 3.622 13.932 ( 10.292 0.000 12.836) 16.453 13.972 ( -1.960 0.000 -2.909) 3.508 15.088 ( -5.641 0.000 -6.455) 8.572 15.627 ( -26.927 0.000 30.275) 40.517 16.649 ( 14.391 0.000 -3.470) 14.804 17.529 ( -18.318 0.000 3.833) 18.715 18.004 ( 5.137 0.000 12.805) 13.797 18.516 ( -24.185 0.000 34.422) 42.069 19.136 ( 1.433 0.000 6.749) 6.900 19.304 ( -1.241 0.000 -1.751) 2.146 32.986 ( 0.978 0.000 3.661) 3.789 33.080 ( -1.134 0.000 3.302) 3.491 34.402 ( 1.237 0.000 -2.289) 2.602 34.505 ( -1.082 0.000 -2.697) 2.906 34.958 ( 43.036 0.000 -40.195) 58.887 35.791 ( -2.306 0.000 -11.020) 11.259 36.871 ( -0.131 0.000 -1.039) 1.047 36.891 ( -0.378 0.000 1.109) 1.172 73.460 ( -1.923 0.000 -6.417) 6.699 73.643 ( -0.855 0.000 -11.464) 11.496 75.252 ( 21.809 0.000 43.937) 49.051 78.844 (-151.351 0.000 137.016) 204.158 ======================= Grid point 87 (30/162) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 34.414 0.000 11.243) 36.204 1.779 ( 37.081 0.000 8.629) 38.072 2.438 ( -32.441 0.000 6.534) 33.092 2.483 ( -28.384 0.000 8.268) 29.564 3.168 ( 51.132 0.000 23.272) 56.179 4.206 ( -45.678 0.000 8.638) 46.487 4.396 ( 13.798 0.000 -0.924) 13.829 4.629 ( -9.041 0.000 -1.389) 9.147 5.744 ( 17.164 0.000 3.622) 17.541 6.145 ( -19.794 0.000 0.448) 19.799 7.267 ( 17.224 0.000 5.584) 18.106 7.549 ( -10.317 0.000 11.494) 15.445 8.550 ( 1.756 0.000 -1.871) 2.566 8.591 ( -2.127 0.000 -1.969) 2.898 9.001 ( 14.936 0.000 5.613) 15.956 9.322 ( -15.199 0.000 3.464) 15.588 10.042 ( 6.426 0.000 -1.018) 6.507 10.173 ( -6.039 0.000 -1.498) 6.222 11.500 ( 12.126 0.000 -11.025) 16.389 11.789 ( -15.760 0.000 -14.290) 21.274 12.437 ( 1.740 0.000 2.963) 3.436 12.478 ( -2.144 0.000 3.437) 4.051 13.111 ( 13.671 0.000 -23.065) 26.812 13.357 ( -9.733 0.000 -23.482) 25.420 13.839 ( 3.832 0.000 -2.621) 4.643 13.916 ( -3.429 0.000 -2.784) 4.417 13.928 ( 16.658 0.000 -22.768) 28.211 14.092 ( 1.732 0.000 -2.640) 3.157 15.005 ( 0.993 0.000 9.613) 9.665 15.191 ( -15.976 0.000 27.593) 31.884 16.897 ( 11.609 0.000 -2.131) 11.803 17.168 ( -15.529 0.000 1.325) 15.586 18.110 ( 5.571 0.000 22.538) 23.216 18.239 ( -7.620 0.000 27.934) 28.955 19.190 ( 3.363 0.000 2.335) 4.094 19.258 ( -2.988 0.000 -0.388) 3.013 33.013 ( 1.650 0.000 3.555) 3.919 33.049 ( -1.745 0.000 3.418) 3.838 34.435 ( 1.913 0.000 -2.420) 3.085 34.475 ( -1.818 0.000 -2.576) 3.153 35.510 ( 15.310 0.000 -27.212) 31.223 35.711 ( -5.989 0.000 -15.770) 16.869 36.872 ( 0.307 0.000 -0.486) 0.575 36.881 ( -0.533 0.000 0.094) 0.541 73.481 ( 3.425 0.000 -11.657) 12.150 73.573 ( -4.889 0.000 -14.081) 14.906 75.840 ( 35.826 0.000 60.722) 70.503 76.801 ( -63.350 0.000 97.791) 116.518 ======================= Grid point 90 (31/162) ======================= q-point: ( 0.00 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 27.984 27.096) 38.952 1.231 ( 0.000 22.980 37.647) 44.106 1.817 ( 0.000 60.297 29.948) 67.324 3.406 ( 0.000 3.409 11.680) 12.167 3.740 ( 0.000 21.821 3.762) 22.143 3.887 ( 0.000 14.261 -0.786) 14.283 4.797 ( 0.000 3.456 -11.705) 12.204 5.069 ( 0.000 21.675 -6.035) 22.499 6.089 ( 0.000 3.231 23.610) 23.830 6.395 ( 0.000 4.887 -14.777) 15.564 6.671 ( 0.000 -1.135 2.344) 2.604 7.687 ( 0.000 -4.060 16.919) 17.400 8.628 ( 0.000 10.992 -1.882) 11.152 8.642 ( 0.000 0.485 6.882) 6.899 9.080 ( 0.000 29.457 -14.672) 32.909 9.464 ( 0.000 -4.842 8.000) 9.351 10.111 ( 0.000 18.995 -0.290) 18.997 10.307 ( 0.000 -2.365 -0.637) 2.449 11.288 ( 0.000 -2.513 -0.291) 2.530 11.321 ( 0.000 -32.195 39.068) 50.624 12.314 ( 0.000 -13.225 3.868) 13.779 12.429 ( 0.000 -6.997 -23.007) 24.047 12.654 ( 0.000 2.883 -7.897) 8.407 13.338 ( 0.000 -14.779 -6.223) 16.036 13.796 ( 0.000 25.479 -25.885) 36.321 14.065 ( 0.000 11.363 -4.957) 12.398 14.068 ( 0.000 32.021 0.320) 32.022 14.222 ( 0.000 24.989 -8.763) 26.481 15.189 ( 0.000 2.011 -9.078) 9.298 16.154 ( 0.000 -2.960 19.387) 19.611 16.335 ( 0.000 5.520 -18.736) 19.532 17.740 ( 0.000 -3.217 18.727) 19.001 17.848 ( 0.000 -6.401 -8.744) 10.836 18.704 ( 0.000 -32.711 34.983) 47.894 18.937 ( 0.000 -5.603 -2.466) 6.122 19.213 ( 0.000 -4.481 2.924) 5.350 33.040 ( 0.000 6.318 3.643) 7.293 33.528 ( 0.000 26.248 -18.155) 31.915 34.047 ( 0.000 -5.616 1.752) 5.883 34.499 ( 0.000 -1.843 -2.834) 3.380 34.529 ( 0.000 11.470 -1.267) 11.539 35.812 ( 0.000 0.420 -8.266) 8.277 36.838 ( 0.000 -3.507 -1.518) 3.821 36.864 ( 0.000 -2.915 1.835) 3.445 73.483 ( 0.000 -4.571 -9.593) 10.626 73.510 ( 0.000 -9.168 0.918) 9.214 74.904 ( 0.000 -10.489 38.508) 39.911 78.150 ( 0.000 -195.728 175.117) 262.632 ======================= Grid point 91 (32/162) ======================= q-point: ( 0.20 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 20.566 20.018 20.478) 35.256 1.568 ( 23.024 30.803 21.390) 44.006 2.337 ( 42.439 39.862 28.680) 64.904 3.154 ( -22.029 4.025 9.099) 24.171 3.293 ( -26.031 20.309 4.738) 33.354 4.244 ( 17.960 16.378 -0.042) 24.306 4.820 ( -2.740 6.220 -9.182) 11.424 5.027 ( -7.704 20.042 -5.894) 22.266 5.697 ( -15.485 5.044 15.122) 22.225 6.496 ( -11.791 1.613 1.918) 12.054 6.840 ( 21.865 -0.912 -1.963) 21.972 7.653 ( -3.755 -3.759 15.203) 16.104 8.645 ( 1.550 11.521 -1.624) 11.738 8.716 ( 6.544 0.873 5.803) 8.790 8.934 ( -6.876 21.133 -2.384) 22.351 9.487 ( -4.009 -4.397 -0.395) 5.964 10.080 ( 0.367 11.546 2.510) 11.821 10.343 ( -0.648 6.897 -2.610) 7.402 11.244 ( 5.540 -7.691 -1.573) 9.609 11.710 ( 20.222 -24.826 14.398) 35.108 12.108 ( -14.257 -8.206 -11.431) 20.032 12.381 ( -2.732 -9.392 5.499) 11.221 12.853 ( 12.246 -1.993 -18.551) 22.318 13.309 ( -2.639 -12.178 -10.285) 16.158 13.947 ( 12.510 18.562 -20.453) 30.321 14.029 ( -0.141 16.921 -6.026) 17.963 14.136 ( 0.779 21.427 -5.401) 22.111 14.262 ( 6.026 27.814 -5.266) 28.942 15.140 ( -4.367 3.349 -6.719) 8.685 15.730 ( -24.789 10.049 15.754) 31.043 16.603 ( 12.770 -4.190 -6.453) 14.909 17.494 ( -17.738 -3.438 2.788) 18.282 17.949 ( 5.105 -5.383 13.779) 15.649 18.370 ( -15.788 -12.166 35.366) 40.596 19.040 ( 4.365 -8.203 3.372) 9.885 19.229 ( -0.111 -5.987 -0.259) 5.994 33.053 ( 1.283 6.590 3.634) 7.634 33.280 ( -9.506 16.211 0.376) 18.796 34.334 ( 5.909 -6.292 -5.233) 10.094 34.486 ( -1.191 -1.967 -2.816) 3.635 34.949 ( 33.599 1.363 -22.812) 40.634 35.786 ( -2.669 0.063 -9.442) 9.812 36.838 ( 0.021 -3.321 -1.151) 3.515 36.860 ( -0.428 -2.984 1.363) 3.308 73.408 ( -1.663 -5.232 -5.928) 8.080 73.567 ( -0.013 -7.173 -11.271) 13.360 75.106 ( 18.321 -14.092 42.819) 48.659 77.296 ( -58.931 -109.451 145.736) 191.550 ======================= Grid point 92 (33/162) ======================= q-point: ( 0.40 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 32.737 10.343 8.392) 35.342 2.098 ( 26.213 24.105 13.139) 37.958 2.557 ( -28.147 10.929 6.438) 30.873 2.732 ( -27.867 23.406 8.874) 37.459 3.368 ( 49.517 21.999 19.533) 57.597 4.336 ( -40.252 13.991 6.460) 43.101 4.579 ( 11.633 17.089 -1.072) 20.700 4.805 ( -9.541 16.311 -0.723) 18.910 5.772 ( 16.415 3.529 3.639) 17.180 6.160 ( -19.343 1.853 0.671) 19.444 7.244 ( 16.804 -1.869 4.457) 17.485 7.517 ( -9.880 -2.971 10.623) 14.809 8.689 ( 2.795 12.811 -1.088) 13.157 8.756 ( -3.282 13.726 -0.102) 14.113 8.997 ( 12.439 0.651 3.841) 13.035 9.284 ( -13.846 -3.260 2.059) 14.373 10.149 ( 5.494 9.437 1.029) 10.968 10.269 ( -5.574 8.946 -0.405) 10.548 11.443 ( 12.734 -4.850 -10.879) 17.436 11.731 ( -14.380 -4.482 -14.198) 20.699 12.112 ( 11.378 -19.785 9.819) 24.846 12.292 ( -6.294 -12.849 8.482) 16.633 13.076 ( 9.363 -5.068 -19.770) 22.455 13.228 ( -5.543 -8.712 -16.288) 19.285 14.037 ( 1.684 14.714 -3.613) 15.245 14.084 ( -2.288 16.085 -3.510) 16.621 14.255 ( 12.294 19.570 -23.878) 33.231 14.385 ( 1.684 23.613 -11.252) 26.211 15.079 ( 1.732 7.513 6.304) 9.959 15.287 ( -17.396 12.024 19.287) 28.621 16.846 ( 12.238 -4.993 -2.774) 13.506 17.133 ( -16.179 -3.510 0.567) 16.565 18.051 ( 5.198 -5.711 22.863) 24.132 18.167 ( -6.510 -6.727 27.514) 29.063 19.124 ( 3.978 -6.330 1.704) 7.668 19.196 ( -2.859 -5.798 -0.223) 6.469 33.091 ( 2.455 7.548 3.523) 8.684 33.155 ( -4.038 9.938 3.088) 11.163 34.404 ( 2.587 -3.192 -2.996) 5.085 34.452 ( -2.073 -2.340 -2.778) 4.182 35.465 ( 16.655 -3.153 -20.957) 26.954 35.692 ( -7.023 -1.194 -13.455) 15.224 36.841 ( 0.301 -3.138 -0.453) 3.185 36.849 ( -0.514 -3.078 0.414) 3.148 73.429 ( 3.202 -5.152 -11.166) 12.707 73.513 ( -4.301 -5.917 -13.530) 15.381 75.589 ( 28.277 -23.531 58.205) 68.856 76.275 ( -40.291 -45.623 91.588) 109.969 ======================= Grid point 95 (34/162) ======================= q-point: ( 0.00 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.000 26.342 32.088) 41.516 1.782 ( 0.000 34.721 15.446) 38.002 3.139 ( 0.000 66.390 13.415) 67.732 3.521 ( 0.000 9.774 10.564) 14.391 4.187 ( 0.000 13.595 -3.503) 14.039 4.242 ( 0.000 25.920 4.298) 26.274 4.927 ( 0.000 9.013 -3.028) 9.508 5.634 ( 0.000 33.871 -6.679) 34.524 6.199 ( 0.000 7.187 13.035) 14.885 6.575 ( 0.000 13.832 -15.402) 20.701 6.682 ( 0.000 4.791 5.821) 7.540 7.582 ( 0.000 -6.081 15.551) 16.698 8.665 ( 0.000 1.945 8.255) 8.481 8.898 ( 0.000 14.838 -2.312) 15.017 9.404 ( 0.000 -1.090 7.683) 7.760 9.507 ( 0.000 7.658 -3.334) 8.352 10.288 ( 0.000 6.960 -6.174) 9.304 10.547 ( 0.000 23.774 -1.571) 23.825 11.162 ( 0.000 7.650 26.867) 27.935 11.203 ( 0.000 -6.330 2.437) 6.783 12.138 ( 0.000 -2.841 6.458) 7.056 12.289 ( 0.000 -5.963 -22.631) 23.404 12.711 ( 0.000 3.382 -8.391) 9.047 13.113 ( 0.000 -8.000 -4.321) 9.092 13.996 ( 0.000 3.088 -1.485) 3.427 14.345 ( 0.000 17.169 -2.005) 17.286 14.734 ( 0.000 29.062 -16.273) 33.307 14.746 ( 0.000 26.623 -9.521) 28.274 15.196 ( 0.000 0.148 -2.903) 2.907 16.076 ( 0.000 -4.541 16.506) 17.119 16.456 ( 0.000 6.151 -33.998) 34.550 17.657 ( 0.000 -12.953 -7.805) 15.123 17.659 ( 0.000 -4.563 19.195) 19.730 18.251 ( 0.000 -14.676 35.209) 38.145 18.781 ( 0.000 -9.779 -0.530) 9.793 19.093 ( 0.000 -7.383 1.011) 7.452 33.213 ( 0.000 10.782 3.316) 11.280 33.912 ( 0.000 14.126 -11.797) 18.404 33.952 ( 0.000 -3.626 1.700) 4.004 34.443 ( 0.000 -3.772 -2.967) 4.799 34.792 ( 0.000 14.762 -0.836) 14.785 35.845 ( 0.000 3.037 -6.633) 7.295 36.742 ( 0.000 -5.985 -0.716) 6.028 36.787 ( 0.000 -4.747 1.291) 4.920 73.289 ( 0.000 -12.113 -0.939) 12.149 73.356 ( 0.000 -8.030 -8.675) 11.822 74.616 ( 0.000 -17.948 35.232) 39.540 75.629 ( 0.000 -78.028 120.930) 143.918 ======================= Grid point 96 (35/162) ======================= q-point: ( 0.20 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 11.994 28.300 17.578) 35.408 2.098 ( 21.955 25.953 20.604) 39.750 3.277 ( -17.218 9.464 8.842) 21.546 3.422 ( 22.206 61.789 12.934) 66.920 3.735 ( -24.641 21.038 4.474) 32.707 4.618 ( 17.181 18.844 -0.990) 25.520 5.001 ( 4.263 10.928 -4.120) 12.433 5.543 ( -13.382 29.872 -3.941) 32.969 5.911 ( -11.765 18.036 8.476) 23.142 6.547 ( -11.880 3.703 3.624) 12.961 6.880 ( 18.612 6.702 -5.502) 20.533 7.558 ( -2.731 -5.167 13.539) 14.747 8.726 ( 5.936 0.823 7.652) 9.719 8.924 ( 2.307 14.978 -1.498) 15.229 9.285 ( -8.517 7.843 4.030) 12.259 9.436 ( -7.404 0.646 -0.657) 7.462 10.283 ( 1.591 11.184 -0.711) 11.319 10.573 ( -1.292 15.289 0.457) 15.351 11.168 ( 7.024 1.515 0.638) 7.213 11.493 ( 19.095 -1.763 14.955) 24.318 11.997 ( -12.959 -0.599 -10.260) 16.540 12.228 ( -3.794 -5.809 2.499) 7.375 12.822 ( 7.758 0.021 -15.602) 17.424 13.113 ( -0.358 -7.511 -6.935) 10.229 14.111 ( 10.259 2.757 -1.294) 10.702 14.350 ( 1.156 17.936 -2.460) 18.141 14.643 ( -5.287 25.615 -9.760) 27.917 14.808 ( 0.957 19.533 -13.981) 24.040 15.219 ( 3.188 9.157 -2.098) 9.920 15.943 ( -11.905 8.855 1.742) 14.939 16.517 ( 6.094 -3.375 -17.669) 18.992 17.390 ( -16.479 -7.498 -0.642) 18.116 17.805 ( 5.456 -8.517 16.726) 19.547 18.136 ( -7.622 -10.308 32.199) 34.657 18.853 ( 5.347 -10.351 1.369) 11.731 19.090 ( -0.789 -8.056 0.012) 8.094 33.232 ( 1.907 11.103 3.388) 11.764 33.594 ( -12.982 14.171 0.427) 19.223 34.207 ( 7.913 -5.112 -4.995) 10.663 34.427 ( -1.511 -3.951 -2.944) 5.153 35.050 ( 20.720 8.503 -7.904) 23.751 35.811 ( -3.470 2.671 -7.322) 8.532 36.745 ( 0.299 -5.816 -0.532) 5.848 36.781 ( -0.535 -4.794 1.120) 4.952 73.261 ( -0.517 -9.300 -5.234) 10.685 73.388 ( 0.438 -10.238 -10.533) 14.696 74.737 ( 11.015 -22.088 39.431) 46.519 75.539 ( -8.346 -66.553 103.476) 123.313 ======================= Grid point 97 (36/162) ======================= q-point: ( 0.40 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 24.420 19.844 8.820) 32.679 2.512 ( 7.318 18.293 12.085) 23.114 2.866 ( -8.573 18.152 10.187) 22.512 3.217 ( -25.491 22.460 10.213) 35.476 4.077 ( 36.969 47.311 10.025) 60.873 4.772 ( -21.226 27.982 0.224) 35.123 4.981 ( 5.654 20.925 -1.506) 21.728 5.173 ( -11.627 18.797 3.836) 22.433 5.946 ( 11.139 15.901 2.270) 19.546 6.245 ( -16.253 7.726 1.693) 18.075 7.222 ( 14.279 0.721 1.613) 14.388 7.451 ( -8.100 -2.863 8.428) 12.035 8.889 ( 8.781 0.037 5.865) 10.559 8.978 ( 1.723 12.561 1.792) 12.805 9.141 ( -3.645 9.122 -0.055) 9.823 9.237 ( -10.373 2.372 0.744) 10.666 10.363 ( 5.624 12.070 2.157) 13.490 10.487 ( -5.947 12.203 2.943) 13.890 11.391 ( 13.531 0.639 -8.208) 15.839 11.693 ( -15.512 0.579 -11.755) 19.472 11.864 ( 15.691 -3.736 10.691) 19.351 12.111 ( -8.526 -4.450 9.286) 13.368 12.971 ( 6.552 -4.171 -16.424) 18.168 13.077 ( -3.536 -6.274 -12.376) 14.318 14.332 ( 8.527 9.599 -2.622) 13.104 14.414 ( 3.054 16.200 -2.953) 16.748 14.555 ( 0.364 16.928 -7.935) 18.699 14.721 ( -9.141 7.766 -8.428) 14.659 15.370 ( 11.512 22.237 -4.919) 25.519 15.652 ( -15.164 20.996 -6.279) 26.649 16.711 ( 12.883 -8.246 -5.282) 16.182 17.028 ( -17.577 -7.189 -1.516) 19.051 17.906 ( 4.780 -8.266 23.569) 25.430 18.007 ( -5.266 -8.525 27.201) 28.987 18.963 ( 5.033 -9.478 0.919) 10.771 19.049 ( -3.227 -8.706 -0.186) 9.287 33.291 ( 3.914 12.074 3.394) 13.138 33.398 ( -6.900 13.617 2.863) 15.531 34.316 ( 3.889 -5.198 -3.283) 7.275 34.383 ( -2.733 -4.462 -2.927) 5.996 35.447 ( 16.088 2.188 -11.113) 19.675 35.693 ( -8.445 1.833 -9.238) 12.649 36.754 ( 0.586 -5.415 -0.025) 5.447 36.768 ( -0.729 -5.013 0.623) 5.104 73.287 ( 2.770 -8.864 -9.829) 13.522 73.354 ( -3.188 -9.682 -11.864) 15.642 75.015 ( 15.020 -31.994 51.161) 62.183 75.312 ( -13.387 -46.922 73.128) 87.913 ======================= Grid point 100 (37/162) ======================= q-point: ( 0.00 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 30.454 21.003) 36.994 2.477 ( 0.000 35.015 9.028) 36.160 3.674 ( 0.000 11.336 8.119) 13.944 4.395 ( 0.000 8.065 -6.260) 10.209 4.480 ( 0.000 61.425 8.539) 62.016 4.676 ( 0.000 17.974 4.153) 18.448 5.094 ( 0.000 6.672 8.079) 10.478 6.176 ( 0.000 3.966 -1.584) 4.270 6.451 ( 0.000 33.224 -5.143) 33.619 6.913 ( 0.000 16.518 -13.335) 21.229 6.993 ( 0.000 26.882 7.512) 27.911 7.506 ( 0.000 2.262 11.824) 12.038 8.720 ( 0.000 3.643 8.147) 8.924 9.159 ( 0.000 10.394 -3.417) 10.941 9.422 ( 0.000 2.997 6.617) 7.264 9.430 ( 0.000 -9.789 10.548) 14.390 10.530 ( 0.000 11.122 -8.692) 14.115 11.006 ( 0.000 20.155 -2.240) 20.279 11.041 ( 0.000 -7.959 3.736) 8.792 11.439 ( 0.000 18.860 18.282) 26.267 12.192 ( 0.000 -5.077 -13.899) 14.797 12.214 ( 0.000 9.309 0.700) 9.336 12.802 ( 0.000 6.174 -7.925) 10.046 13.043 ( 0.000 1.809 -8.010) 8.212 14.013 ( 0.000 -0.286 2.029) 2.049 14.726 ( 0.000 20.704 -0.392) 20.708 14.976 ( 0.000 -3.085 -3.006) 4.308 15.250 ( 0.000 24.050 -7.480) 25.186 15.433 ( 0.000 22.609 -15.908) 27.645 15.987 ( 0.000 -4.180 12.423) 13.107 16.569 ( 0.000 5.105 -36.040) 36.400 17.340 ( 0.000 -18.874 -5.970) 19.796 17.572 ( 0.000 -3.983 21.348) 21.717 18.049 ( 0.000 -7.030 29.801) 30.619 18.569 ( 0.000 -11.244 0.710) 11.267 18.926 ( 0.000 -9.512 -0.435) 9.522 33.446 ( 0.000 12.244 2.137) 12.429 33.910 ( 0.000 -0.563 2.694) 2.752 34.140 ( 0.000 9.564 -4.525) 10.580 34.356 ( 0.000 -4.736 -2.795) 5.500 35.100 ( 0.000 16.129 -0.659) 16.143 35.931 ( 0.000 5.437 -5.173) 7.505 36.612 ( 0.000 -6.878 0.305) 6.884 36.684 ( 0.000 -5.408 0.967) 5.494 73.055 ( 0.000 -11.246 -3.383) 11.744 73.178 ( 0.000 -9.662 -7.188) 12.042 74.223 ( 0.000 -21.175 30.665) 37.266 74.515 ( 0.000 -41.651 71.011) 82.325 ======================= Grid point 101 (38/162) ======================= q-point: ( 0.20 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 8.271 30.607 14.682) 34.939 2.641 ( 14.076 28.824 12.080) 34.277 3.498 ( -15.280 13.341 7.236) 21.537 4.068 ( -22.287 12.946 3.281) 25.982 4.644 ( 15.562 57.187 6.292) 59.600 4.923 ( 15.098 13.594 -1.170) 20.350 5.192 ( 6.995 7.294 6.026) 11.766 6.049 ( -12.277 13.942 0.075) 18.577 6.397 ( -3.815 30.353 -4.229) 30.883 6.736 ( -12.754 19.218 2.345) 23.184 7.135 ( 9.721 17.369 -4.084) 20.319 7.513 ( -0.118 4.588 8.709) 9.844 8.758 ( 3.732 2.495 7.686) 8.901 9.171 ( -0.228 7.824 -0.825) 7.871 9.279 ( -6.613 -2.882 2.918) 7.782 9.465 ( -1.761 1.369 9.573) 9.829 10.552 ( 2.402 12.300 -5.531) 13.699 10.881 ( -7.937 15.637 4.890) 18.205 11.135 ( 8.746 -5.945 2.023) 10.767 11.653 ( 14.639 16.594 7.554) 23.382 12.033 ( -12.277 -1.050 -8.934) 15.220 12.216 ( -0.475 7.912 1.324) 8.036 12.869 ( 4.371 4.486 -11.700) 13.271 13.029 ( -1.182 0.111 -8.515) 8.598 14.121 ( 9.931 -0.599 2.060) 10.160 14.733 ( 0.781 19.121 -1.370) 19.186 14.911 ( -6.137 -1.013 -1.276) 6.350 15.142 ( -6.415 23.952 -7.765) 25.983 15.591 ( 10.817 22.286 -15.347) 29.141 16.025 ( 2.949 -0.323 7.515) 8.079 16.508 ( -4.143 2.410 -31.414) 31.778 17.174 ( -13.669 -14.645 -4.195) 20.467 17.647 ( 5.118 -6.609 21.693) 23.248 17.975 ( -5.777 -6.168 28.865) 30.076 18.638 ( 5.656 -11.198 1.304) 12.613 18.912 ( -1.442 -9.827 -0.612) 9.951 33.471 ( 2.429 12.475 2.408) 12.935 33.815 ( -7.459 7.876 2.488) 11.130 34.167 ( 2.334 1.546 -2.699) 3.889 34.338 ( -1.723 -4.763 -2.673) 5.727 35.263 ( 13.444 12.430 -3.195) 18.587 35.893 ( -3.810 5.417 -5.418) 8.557 36.618 ( 0.636 -6.686 0.385) 6.727 36.677 ( -0.676 -5.499 0.924) 5.617 73.060 ( 0.788 -10.451 -5.225) 11.711 73.180 ( -0.419 -10.571 -8.471) 13.553 74.274 ( 4.800 -23.909 34.405) 42.171 74.520 ( -0.024 -40.184 64.838) 76.280 ======================= Grid point 102 (39/162) ======================= q-point: ( 0.40 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 16.686 25.467 8.222) 31.538 2.890 ( -0.983 20.584 8.334) 22.229 3.237 ( 1.770 19.361 10.572) 22.130 3.592 ( -23.221 16.305 9.701) 29.986 5.032 ( 18.317 34.415 -1.814) 39.029 5.200 ( 6.812 18.520 0.212) 19.734 5.303 ( 8.540 15.429 3.699) 18.018 5.692 ( -21.618 33.582 5.814) 40.359 6.360 ( 1.568 21.898 -0.209) 21.955 6.484 ( -10.213 16.596 3.724) 19.840 7.333 ( 8.823 11.948 -1.451) 14.924 7.471 ( -4.386 8.028 3.516) 9.801 8.872 ( 7.321 -0.605 5.944) 9.449 9.045 ( -9.063 -3.028 3.925) 10.330 9.282 ( 4.063 7.807 0.257) 8.805 9.383 ( -5.281 6.158 5.357) 9.721 10.628 ( 4.828 13.442 0.495) 14.292 10.740 ( -6.014 13.528 5.063) 15.646 11.372 ( 13.868 -4.645 -1.099) 14.666 11.673 ( -14.237 -3.025 -5.065) 15.411 12.002 ( 10.543 14.716 2.691) 18.302 12.168 ( -4.934 10.640 1.853) 11.874 12.939 ( 2.854 1.247 -13.088) 13.453 12.995 ( -2.318 -1.372 -10.595) 10.933 14.377 ( 13.979 -0.940 1.297) 14.070 14.648 ( -11.252 1.061 -0.972) 11.344 14.869 ( 4.781 19.177 -1.685) 19.836 15.006 ( -7.241 21.896 -4.396) 23.477 15.816 ( 10.895 20.208 -17.005) 28.570 16.009 ( -6.423 13.880 -11.648) 19.225 16.542 ( 9.894 -8.100 -11.536) 17.222 16.845 ( -17.277 -11.448 -4.072) 21.122 17.751 ( 5.059 -6.770 24.989) 26.380 17.857 ( -5.437 -6.211 27.316) 28.535 18.761 ( 5.767 -10.759 0.620) 12.223 18.860 ( -3.772 -10.297 -0.366) 10.972 33.544 ( 4.696 12.903 2.866) 14.027 33.662 ( -6.866 12.470 2.932) 14.534 34.225 ( 3.176 -3.343 -2.022) 5.035 34.289 ( -2.902 -4.583 -2.320) 5.900 35.550 ( 13.139 7.651 -5.605) 16.204 35.770 ( -8.343 5.735 -5.882) 11.709 36.636 ( 1.053 -6.237 0.580) 6.352 36.659 ( -1.077 -5.785 0.788) 5.937 73.094 ( 2.445 -10.202 -7.946) 13.160 73.148 ( -2.485 -10.689 -9.250) 14.353 74.394 ( 6.058 -29.914 41.947) 51.876 74.492 ( -3.120 -35.965 52.612) 63.807 ======================= Grid point 105 (40/162) ======================= q-point: ( 0.00 0.24 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 0.000 30.800 11.838) 32.997 3.151 ( 0.000 32.938 5.228) 33.350 3.925 ( 0.000 14.042 5.883) 15.225 4.533 ( 0.000 6.317 -5.647) 8.472 4.885 ( 0.000 6.653 2.199) 7.007 5.183 ( 0.000 2.745 11.041) 11.377 5.635 ( 0.000 50.914 6.373) 51.311 6.091 ( 0.000 -7.749 -0.778) 7.788 7.026 ( 0.000 -2.126 0.153) 2.132 7.216 ( 0.000 39.287 -8.655) 40.229 7.631 ( 0.000 34.735 2.159) 34.802 7.838 ( 0.000 27.255 -2.980) 27.418 8.810 ( 0.000 5.628 5.845) 8.114 9.243 ( 0.000 -7.441 15.676) 17.352 9.286 ( 0.000 2.701 -4.876) 5.574 9.531 ( 0.000 7.938 5.735) 9.793 10.651 ( 0.000 2.079 0.904) 2.267 10.832 ( 0.000 -10.620 4.432) 11.508 11.391 ( 0.000 15.794 -0.911) 15.820 11.820 ( 0.000 16.569 9.867) 19.285 12.053 ( 0.000 -8.395 -5.559) 10.069 12.449 ( 0.000 13.842 -8.419) 16.202 12.962 ( 0.000 9.633 -4.578) 10.666 13.193 ( 0.000 12.439 -11.275) 16.789 14.015 ( 0.000 0.982 3.225) 3.371 14.877 ( 0.000 -4.757 0.590) 4.794 15.138 ( 0.000 20.352 0.702) 20.364 15.685 ( 0.000 19.615 -5.027) 20.249 15.846 ( 0.000 17.804 -22.258) 28.503 15.921 ( 0.000 -2.305 7.678) 8.016 16.651 ( 0.000 2.958 -33.625) 33.755 16.923 ( 0.000 -22.943 -3.577) 23.220 17.512 ( 0.000 -1.773 24.410) 24.474 17.943 ( 0.000 -4.182 26.172) 26.504 18.348 ( 0.000 -10.944 1.220) 11.011 18.720 ( 0.000 -11.215 -0.981) 11.258 33.671 ( 0.000 9.762 -1.009) 9.814 33.938 ( 0.000 3.685 5.498) 6.619 34.253 ( 0.000 -2.939 -3.130) 4.294 34.313 ( 0.000 5.413 0.206) 5.417 35.420 ( 0.000 16.007 -0.496) 16.015 36.049 ( 0.000 6.194 -4.199) 7.483 36.481 ( 0.000 -6.120 1.306) 6.258 36.584 ( 0.000 -4.508 1.149) 4.652 72.853 ( 0.000 -9.060 -3.878) 9.855 72.987 ( 0.000 -9.348 -5.194) 10.694 73.803 ( 0.000 -20.738 25.647) 32.982 73.842 ( 0.000 -28.023 45.348) 53.308 ======================= Grid point 106 (41/162) ======================= q-point: ( 0.20 0.24 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 6.454 30.073 10.020) 32.349 3.221 ( 6.548 29.438 6.062) 30.761 3.796 ( -10.913 16.517 5.526) 20.554 4.280 ( -18.456 9.367 2.190) 20.813 5.027 ( 9.218 4.518 -2.751) 10.628 5.275 ( 6.061 1.379 7.833) 9.999 5.764 ( 11.559 46.253 5.410) 47.981 6.092 ( 0.700 -4.012 1.707) 4.416 6.870 ( -9.242 9.651 0.719) 13.382 7.267 ( -5.562 35.389 -8.628) 36.848 7.574 ( 1.707 30.031 4.005) 30.345 7.863 ( 0.559 26.075 -3.677) 26.339 8.828 ( 1.737 4.750 5.728) 7.641 9.140 ( -7.455 -4.339 8.579) 12.166 9.323 ( 2.598 2.641 -1.825) 4.130 9.532 ( -1.022 5.725 8.194) 10.048 10.688 ( 4.360 1.872 2.119) 5.197 10.954 ( 10.471 -7.810 3.020) 13.407 11.219 ( -11.056 13.590 2.996) 17.773 11.863 ( -9.544 -3.887 -1.474) 10.410 12.087 ( 11.972 13.156 1.941) 17.893 12.449 ( -0.192 13.528 -6.841) 15.161 12.981 ( 1.348 7.133 -6.378) 9.663 13.155 ( -3.432 11.801 -11.106) 16.565 14.119 ( 9.432 0.815 2.958) 9.918 14.809 ( -6.341 -3.099 0.655) 7.088 15.174 ( 3.444 20.190 0.346) 20.485 15.587 ( -6.760 20.675 -6.429) 22.682 15.969 ( 6.221 9.595 -10.897) 15.796 15.981 ( 8.481 2.698 -3.114) 9.429 16.576 ( -6.589 3.482 -32.093) 32.947 16.821 ( -9.296 -20.371 -3.971) 22.741 17.556 ( 3.843 -2.670 24.971) 25.406 17.880 ( -5.135 -3.673 25.973) 26.729 18.417 ( 5.719 -11.038 1.471) 12.518 18.703 ( -1.734 -11.300 -0.881) 11.466 33.700 ( 2.744 9.896 -0.448) 10.279 33.928 ( -1.285 4.963 4.673) 6.937 34.231 ( -2.035 -0.363 -2.297) 3.090 34.271 ( -2.900 2.285 0.439) 3.718 35.524 ( 8.939 13.637 -1.601) 16.384 36.014 ( -3.475 6.501 -4.175) 8.472 36.491 ( 0.961 -5.964 1.294) 6.178 36.574 ( -0.909 -4.667 1.165) 4.896 72.865 ( 1.140 -9.009 -4.525) 10.146 72.978 ( -0.990 -9.616 -5.787) 11.267 73.812 ( 1.233 -22.643 31.022) 38.426 73.863 ( 1.355 -27.203 39.655) 48.108 ======================= Grid point 107 (42/162) ======================= q-point: ( 0.40 0.24 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 11.245 27.020 6.550) 29.991 3.327 ( -2.757 23.366 5.246) 24.106 3.631 ( 2.359 20.363 7.731) 21.909 3.894 ( -18.074 14.754 7.271) 24.438 5.207 ( 7.993 1.495 -2.618) 8.543 5.322 ( -2.255 -0.072 0.835) 2.405 6.022 ( 10.791 27.291 4.687) 29.719 6.123 ( 0.656 8.638 5.993) 10.534 6.767 ( 1.878 21.973 1.273) 22.090 6.985 ( -16.521 37.264 -1.252) 40.781 7.711 ( 7.805 25.746 -1.520) 26.946 7.832 ( -3.705 25.280 -3.262) 25.758 8.883 ( 3.833 2.001 5.012) 6.620 8.990 ( -6.633 -1.438 4.927) 8.387 9.390 ( 3.908 3.431 1.450) 5.399 9.475 ( -4.062 4.145 6.296) 8.562 10.824 ( 8.182 5.585 3.702) 10.576 10.999 ( -8.786 11.135 3.703) 14.659 11.239 ( 15.124 -7.645 1.694) 17.031 11.571 ( -16.453 -6.599 -1.186) 17.767 12.327 ( 8.800 15.124 0.022) 17.497 12.430 ( -2.145 13.524 -3.689) 14.181 13.010 ( 1.865 6.168 -9.268) 11.288 13.073 ( -4.089 9.515 -10.671) 14.870 14.361 ( 13.337 0.127 2.388) 13.549 14.624 ( -11.558 -1.184 1.499) 11.715 15.281 ( 6.889 20.778 -1.607) 21.949 15.437 ( -7.826 20.873 -4.008) 22.650 16.112 ( 7.670 5.862 -9.572) 13.595 16.169 ( 6.093 4.611 -9.475) 12.172 16.445 ( -2.782 -0.357 -24.513) 24.673 16.585 ( -12.369 -13.907 -7.909) 20.222 17.652 ( 5.251 -3.252 26.161) 26.880 17.765 ( -5.774 -3.245 26.488) 27.303 18.542 ( 5.929 -11.235 0.632) 12.720 18.645 ( -3.980 -11.352 -0.372) 12.035 33.777 ( 4.572 9.932 0.932) 10.974 33.871 ( -4.192 8.402 2.715) 9.774 34.200 ( -0.170 0.365 -0.229) 0.463 34.222 ( -1.929 -1.153 -0.105) 2.249 35.728 ( 10.008 9.950 -3.177) 14.466 35.906 ( -7.105 7.595 -3.964) 11.130 36.517 ( 1.519 -5.565 1.258) 5.904 36.549 ( -1.488 -5.074 1.207) 5.424 72.899 ( 2.135 -9.199 -5.639) 10.999 72.945 ( -2.149 -9.608 -6.206) 11.638 73.850 ( 2.001 -25.020 33.911) 42.190 73.876 ( -0.343 -26.628 35.859) 44.666 ======================= Grid point 110 (43/162) ======================= q-point: ( 0.00 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 0.000 28.552 4.640) 28.927 3.771 ( 0.000 29.665 2.959) 29.812 4.220 ( 0.000 15.467 3.700) 15.903 4.652 ( 0.000 5.770 -3.297) 6.646 4.964 ( 0.000 2.170 1.527) 2.653 5.218 ( 0.000 1.019 8.169) 8.232 5.914 ( 0.000 -9.869 -0.757) 9.898 6.321 ( 0.000 11.589 4.248) 12.343 7.135 ( 0.000 21.111 2.136) 21.219 7.942 ( 0.000 33.180 -7.911) 34.110 8.274 ( 0.000 28.049 -4.124) 28.350 8.308 ( 0.000 14.945 -2.897) 15.224 8.995 ( 0.000 15.722 0.691) 15.738 9.184 ( 0.000 1.949 17.778) 17.885 9.310 ( 0.000 1.413 -4.641) 4.851 9.718 ( 0.000 10.515 5.539) 11.885 10.633 ( 0.000 -9.247 4.549) 10.305 10.648 ( 0.000 -2.004 5.715) 6.056 11.547 ( 0.000 -2.857 7.122) 7.674 11.973 ( 0.000 4.384 -8.664) 9.710 12.023 ( 0.000 4.210 1.363) 4.425 12.753 ( 0.000 16.098 -10.024) 18.964 13.145 ( 0.000 7.842 -1.218) 7.936 13.475 ( 0.000 14.605 -10.055) 17.732 14.061 ( 0.000 3.677 3.526) 5.095 14.835 ( 0.000 1.314 1.322) 1.864 15.500 ( 0.000 15.194 2.663) 15.426 15.886 ( 0.000 0.568 2.239) 2.310 16.035 ( 0.000 14.265 -3.564) 14.703 16.131 ( 0.000 11.234 -24.029) 26.525 16.449 ( 0.000 -24.391 -1.417) 24.432 16.679 ( 0.000 -0.020 -29.788) 29.788 17.505 ( 0.000 0.835 24.870) 24.884 17.872 ( 0.000 -3.101 23.605) 23.808 18.142 ( 0.000 -9.821 1.765) 9.979 18.487 ( 0.000 -12.217 -0.670) 12.235 33.819 ( 0.000 5.728 -3.605) 6.768 34.051 ( 0.000 6.974 7.471) 10.220 34.187 ( 0.000 -2.655 -2.290) 3.506 34.410 ( 0.000 3.333 1.937) 3.855 35.724 ( 0.000 14.495 -0.263) 14.497 36.163 ( 0.000 5.005 -4.107) 6.474 36.379 ( 0.000 -4.015 2.113) 4.537 36.515 ( 0.000 -2.253 2.188) 3.141 72.701 ( 0.000 -6.233 -2.506) 6.718 72.818 ( 0.000 -7.503 -2.779) 8.001 73.373 ( 0.000 -19.874 30.719) 36.587 73.418 ( 0.000 -17.932 20.771) 27.441 ======================= Grid point 111 (44/162) ======================= q-point: ( 0.20 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( 4.856 27.724 4.503) 28.504 3.791 ( 1.870 27.896 3.137) 28.134 4.136 ( -7.107 17.424 3.694) 19.177 4.458 ( -13.806 8.866 1.423) 16.469 5.084 ( 7.327 1.547 -2.112) 7.780 5.268 ( 3.326 -1.428 6.132) 7.121 5.940 ( 3.212 -8.558 0.919) 9.187 6.323 ( -1.237 4.175 4.737) 6.435 7.179 ( 5.835 29.213 1.246) 29.816 7.982 ( -0.221 33.557 -9.843) 34.972 8.197 ( -3.745 29.139 -0.347) 29.381 8.320 ( 0.452 16.883 -2.889) 17.135 8.977 ( -1.118 11.623 0.801) 11.705 9.116 ( -5.268 2.498 11.749) 13.116 9.362 ( 3.852 2.963 -1.961) 5.240 9.677 ( -4.078 8.482 6.607) 11.499 10.650 ( 5.753 -4.980 5.777) 9.554 10.814 ( 11.720 -5.977 4.310) 13.844 11.391 ( -12.191 1.451 6.282) 13.791 11.740 ( -12.993 -4.343 -2.799) 13.983 12.303 ( 14.280 7.758 -3.390) 16.601 12.745 ( -1.062 15.837 -6.792) 17.264 13.134 ( -0.226 7.119 -4.134) 8.235 13.428 ( -4.131 14.327 -9.509) 17.684 14.165 ( 9.359 4.030 2.819) 10.573 14.790 ( -4.652 1.933 1.434) 5.238 15.538 ( 3.822 15.330 1.815) 15.903 15.915 ( 1.054 -0.590 0.150) 1.217 15.955 ( -3.516 14.829 -4.362) 15.852 16.205 ( 4.028 6.451 -18.383) 19.894 16.402 ( -3.831 -19.641 -4.265) 20.461 16.625 ( -4.909 1.156 -29.234) 29.666 17.535 ( 2.902 0.277 25.138) 25.307 17.819 ( -4.324 -2.657 23.393) 23.937 18.207 ( 5.281 -10.158 2.018) 11.625 18.470 ( -1.686 -12.124 -0.487) 12.251 33.847 ( 2.623 5.462 -3.116) 6.814 34.043 ( -1.066 6.047 5.623) 8.325 34.188 ( 0.238 -1.288 -0.914) 1.598 34.362 ( -4.117 3.899 2.236) 6.095 35.789 ( 5.750 12.865 -0.826) 14.115 36.136 ( -2.614 5.564 -3.825) 7.240 36.391 ( 1.205 -3.917 2.057) 4.586 36.502 ( -1.279 -2.492 2.117) 3.511 72.711 ( 0.987 -6.357 -2.677) 6.968 72.807 ( -1.071 -7.486 -2.974) 8.126 73.382 ( 0.875 -19.650 29.395) 35.369 73.424 ( 0.378 -18.684 22.015) 28.878 ======================= Grid point 112 (45/162) ======================= q-point: ( 0.40 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( 8.113 25.727 3.898) 27.256 3.802 ( -3.804 24.304 3.143) 24.800 4.031 ( 0.975 19.738 4.487) 20.266 4.186 ( -11.790 14.807 4.221) 19.392 5.213 ( 5.279 -0.528 -1.742) 5.584 5.289 ( -1.703 -2.625 1.072) 3.308 6.061 ( 8.185 -6.856 4.137) 11.451 6.232 ( -7.390 -4.475 5.259) 10.114 7.410 ( 16.083 37.772 -1.192) 41.071 7.769 ( -17.056 37.897 -5.103) 41.871 8.250 ( 5.233 26.259 -1.784) 26.834 8.318 ( -1.197 21.295 -2.270) 21.449 8.967 ( 0.437 6.893 1.784) 7.134 9.012 ( -4.077 3.951 5.248) 7.732 9.451 ( 4.940 3.724 1.277) 6.317 9.566 ( -6.110 5.247 5.271) 9.625 10.848 ( 12.498 -2.556 6.461) 14.299 11.076 ( 5.203 -6.481 3.343) 8.958 11.148 ( -2.866 1.001 5.242) 6.057 11.438 ( -16.166 -6.218 -0.194) 17.321 12.539 ( 8.876 7.757 -3.625) 12.333 12.684 ( -5.284 11.763 -2.732) 13.182 13.185 ( 5.466 10.234 -8.451) 14.354 13.318 ( -6.494 13.496 -9.118) 17.534 14.399 ( 12.505 3.873 2.163) 13.268 14.638 ( -10.110 3.020 1.809) 10.706 15.654 ( 7.184 15.810 -1.003) 17.395 15.806 ( -7.207 15.281 -4.217) 17.414 16.035 ( 6.745 -5.808 1.976) 9.118 16.185 ( -6.540 -11.348 -0.706) 13.117 16.394 ( 4.172 1.569 -23.184) 23.609 16.506 ( -6.104 2.910 -27.931) 28.738 17.616 ( 4.749 -0.668 25.226) 25.678 17.719 ( -5.194 -1.618 24.425) 25.023 18.321 ( 5.415 -11.018 1.108) 12.327 18.415 ( -3.688 -11.748 0.107) 12.314 33.919 ( 4.106 4.802 -1.602) 6.518 33.999 ( -3.296 4.568 1.391) 5.802 34.209 ( 2.000 1.832 1.818) 3.265 34.272 ( -4.090 3.843 2.658) 6.210 35.927 ( 7.049 9.793 -1.968) 12.226 36.055 ( -5.268 7.198 -3.054) 9.428 36.425 ( 1.969 -3.596 1.970) 4.549 36.467 ( -2.018 -3.053 1.991) 4.166 72.740 ( 1.714 -6.736 -2.987) 7.565 72.777 ( -1.795 -7.221 -3.135) 8.074 73.406 ( 1.250 -19.682 26.883) 33.341 73.425 ( -0.453 -19.551 24.285) 31.180 ======================= Grid point 115 (46/162) ======================= q-point: ( 0.00 0.35 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( 0.000 24.982 -0.465) 24.986 4.321 ( 0.000 25.837 1.622) 25.888 4.520 ( 0.000 14.477 1.456) 14.550 4.762 ( 0.000 5.420 -0.854) 5.487 4.992 ( 0.000 1.006 1.083) 1.478 5.225 ( 0.000 -0.395 3.254) 3.278 5.705 ( 0.000 -11.230 -0.556) 11.244 6.246 ( 0.000 -11.893 3.695) 12.454 7.713 ( 0.000 29.592 -1.617) 29.636 8.435 ( 0.000 2.262 7.494) 7.828 8.495 ( 0.000 21.649 -6.337) 22.558 8.644 ( 0.000 8.397 -7.511) 11.266 9.292 ( 0.000 8.977 16.418) 18.712 9.416 ( 0.000 22.402 -8.417) 23.931 9.429 ( 0.000 12.077 -3.945) 12.705 9.921 ( 0.000 9.041 5.759) 10.720 10.475 ( 0.000 -6.554 4.647) 8.034 10.581 ( 0.000 -4.603 7.218) 8.561 11.383 ( 0.000 -9.365 7.521) 12.011 12.021 ( 0.000 -3.748 -2.752) 4.650 12.174 ( 0.000 13.064 -7.621) 15.124 13.029 ( 0.000 9.431 -10.937) 14.442 13.271 ( 0.000 6.901 2.670) 7.400 13.730 ( 0.000 10.603 -7.645) 13.072 14.163 ( 0.000 6.681 3.508) 7.546 14.936 ( 0.000 8.440 1.655) 8.601 15.678 ( 0.000 2.095 7.355) 7.648 15.883 ( 0.000 -14.839 -3.277) 15.196 16.024 ( 0.000 -1.908 -0.410) 1.952 16.296 ( 0.000 9.969 -5.359) 11.318 16.301 ( 0.000 6.180 -23.268) 24.075 16.660 ( 0.000 -1.552 -24.428) 24.478 17.534 ( 0.000 1.845 21.743) 21.822 17.818 ( 0.000 -2.386 21.011) 21.146 17.964 ( 0.000 -8.055 2.826) 8.536 18.244 ( 0.000 -12.116 0.719) 12.137 33.923 ( 0.000 5.147 -3.332) 6.132 34.154 ( 0.000 -0.779 -1.711) 1.880 34.177 ( 0.000 5.125 6.388) 8.190 34.439 ( 0.000 -0.361 2.707) 2.731 35.986 ( 0.000 11.809 0.050) 11.809 36.241 ( 0.000 2.950 -4.437) 5.328 36.326 ( 0.000 -1.288 2.570) 2.874 36.493 ( 0.000 -0.300 3.734) 3.746 72.608 ( 0.000 -3.150 -0.114) 3.152 72.696 ( 0.000 -4.791 -0.026) 4.791 73.044 ( 0.000 -13.680 21.363) 25.368 73.101 ( 0.000 -14.041 16.321) 21.530 ======================= Grid point 116 (47/162) ======================= q-point: ( 0.20 0.35 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( 3.610 24.478 -0.087) 24.743 4.315 ( -0.486 24.958 1.778) 25.026 4.467 ( -4.592 15.620 1.519) 16.352 4.636 ( -8.638 9.250 0.905) 12.688 5.090 ( 6.012 -0.890 -1.058) 6.169 5.236 ( 0.644 -1.729 2.451) 3.068 5.748 ( 4.385 -10.676 0.813) 11.570 6.194 ( -4.964 -12.143 3.956) 13.702 7.814 ( 9.710 29.800 -2.258) 31.423 8.441 ( 0.443 7.258 3.594) 8.112 8.575 ( 6.276 19.945 -3.160) 21.147 8.658 ( 0.809 11.854 -7.577) 14.092 9.238 ( -6.260 11.633 5.225) 14.206 9.258 ( -6.531 13.683 3.456) 15.551 9.522 ( 2.874 13.508 -5.487) 14.860 9.847 ( -6.836 7.942 5.967) 12.059 10.536 ( 7.165 -5.604 5.775) 10.774 10.699 ( 10.002 -6.092 6.344) 13.319 11.286 ( -8.678 -8.445 8.070) 14.552 11.716 ( -18.186 -0.786 -2.234) 18.340 12.446 ( 14.213 7.854 -7.043) 17.700 13.044 ( -1.082 13.634 -5.791) 14.852 13.232 ( -0.399 3.073 -2.894) 4.240 13.676 ( -4.671 10.071 -7.076) 13.165 14.278 ( 9.903 7.293 2.483) 12.547 14.893 ( -4.447 8.169 1.676) 9.450 15.698 ( 1.912 -0.088 6.930) 7.189 15.864 ( -1.899 -16.678 -1.951) 16.899 16.026 ( 0.658 2.310 -2.277) 3.310 16.227 ( -3.591 11.157 -8.247) 14.332 16.375 ( 3.918 4.856 -19.771) 20.733 16.628 ( -2.955 -0.514 -24.204) 24.389 17.555 ( 2.057 1.452 22.003) 22.146 17.773 ( -3.450 -2.015 20.538) 20.923 18.020 ( 4.337 -8.625 3.318) 10.208 18.230 ( -1.363 -11.904 0.891) 12.015 33.944 ( 1.994 4.800 -2.864) 5.935 34.119 ( -2.334 1.609 0.504) 2.879 34.208 ( 2.095 2.914 3.785) 5.216 34.404 ( -3.104 0.305 2.659) 4.098 36.024 ( 3.393 10.701 -0.198) 11.228 36.227 ( -1.425 3.568 -3.866) 5.450 36.340 ( 1.311 -1.310 2.430) 3.057 36.475 ( -1.693 -0.459 3.493) 3.909 72.616 ( 0.718 -3.293 -0.126) 3.373 72.687 ( -0.866 -4.640 -0.065) 4.720 73.053 ( 0.791 -13.810 20.830) 25.004 73.100 ( -0.183 -14.180 16.775) 21.966 ======================= Grid point 117 (48/162) ======================= q-point: ( 0.40 0.35 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.139 ( 6.414 23.201 0.733) 24.082 4.271 ( -5.277 22.656 1.516) 23.312 4.400 ( 0.441 17.515 1.856) 17.618 4.477 ( -6.287 14.613 1.849) 16.015 5.187 ( 3.447 -2.257 -1.489) 4.381 5.233 ( -1.129 -2.873 0.208) 3.094 5.881 ( 8.160 -10.796 3.108) 13.885 6.055 ( -8.247 -11.796 4.080) 14.960 8.081 ( 15.226 28.091 -3.471) 32.140 8.364 ( -10.092 20.005 -2.500) 22.545 8.674 ( 3.306 16.417 -1.868) 16.850 8.700 ( 2.231 18.444 -2.377) 18.730 9.124 ( -2.036 9.584 -0.753) 9.827 9.159 ( -4.174 9.715 4.804) 11.613 9.572 ( 3.261 8.671 -1.292) 9.353 9.685 ( -7.661 6.551 3.881) 10.802 10.759 ( 13.415 -5.493 7.193) 16.182 10.937 ( 8.833 -6.977 3.882) 11.907 11.084 ( -6.308 -6.807 8.853) 12.826 11.337 ( -18.489 -4.721 1.640) 19.153 12.695 ( 10.756 8.784 -5.858) 15.072 12.907 ( -9.950 11.536 -2.549) 15.446 13.354 ( 9.770 5.862 -8.095) 13.977 13.547 ( -8.158 8.705 -7.422) 14.051 14.514 ( 12.304 7.646 1.755) 14.592 14.747 ( -9.767 7.777 1.674) 12.597 15.750 ( 3.028 -7.228 4.687) 9.131 15.812 ( -2.917 -14.844 1.053) 15.164 16.064 ( 3.175 8.515 -4.325) 10.064 16.146 ( -4.331 11.881 -4.981) 13.591 16.459 ( 4.377 2.955 -22.466) 23.079 16.550 ( -4.380 1.447 -23.585) 24.032 17.615 ( 3.659 0.428 22.103) 22.408 17.695 ( -4.013 -0.848 21.466) 21.854 18.112 ( 4.297 -10.032 2.350) 11.164 18.187 ( -2.940 -11.220 1.427) 11.686 33.999 ( 3.157 3.863 -1.625) 5.247 34.064 ( -3.060 2.689 -0.201) 4.079 34.259 ( 2.943 2.305 3.201) 4.922 34.329 ( -3.832 1.495 2.763) 4.955 36.106 ( 4.225 8.182 -1.058) 9.268 36.182 ( -3.009 5.467 -2.504) 6.724 36.377 ( 2.310 -1.264 2.425) 3.580 36.429 ( -2.587 -0.890 2.901) 3.987 72.636 ( 1.237 -3.690 -0.137) 3.894 72.663 ( -1.333 -4.215 -0.116) 4.422 73.073 ( 1.060 -14.126 19.495) 24.098 73.091 ( -0.681 -14.310 17.961) 22.975 ======================= Grid point 120 (49/162) ======================= q-point: ( 0.00 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.452 ( 0.000 21.143 -3.086) 21.367 4.772 ( 0.000 16.642 -1.123) 16.680 4.776 ( 0.000 11.078 -1.388) 11.165 4.886 ( 0.000 10.260 2.588) 10.581 5.010 ( 0.000 0.870 1.210) 1.491 5.198 ( 0.000 -2.360 -1.235) 2.663 5.468 ( 0.000 -12.742 -0.321) 12.746 5.962 ( 0.000 -16.010 3.156) 16.318 8.158 ( 0.000 13.914 -4.337) 14.574 8.539 ( 0.000 10.309 12.789) 16.427 8.616 ( 0.000 -5.083 -5.398) 7.414 8.840 ( 0.000 9.800 -1.791) 9.962 9.500 ( 0.000 11.670 12.098) 16.809 9.722 ( 0.000 14.845 -8.196) 16.957 9.801 ( 0.000 15.274 -11.964) 19.402 10.027 ( 0.000 0.624 6.873) 6.901 10.375 ( 0.000 -3.632 4.615) 5.873 10.474 ( 0.000 -5.877 7.184) 9.282 11.282 ( 0.000 0.675 5.107) 5.152 11.888 ( 0.000 -9.524 -1.616) 9.660 12.445 ( 0.000 13.819 -6.145) 15.124 13.060 ( 0.000 -4.296 -8.878) 9.863 13.494 ( 0.000 13.960 1.187) 14.011 13.878 ( 0.000 4.110 -5.402) 6.788 14.328 ( 0.000 10.314 3.724) 10.966 15.137 ( 0.000 11.102 2.146) 11.308 15.420 ( 0.000 -24.336 2.318) 24.446 15.648 ( 0.000 -4.429 6.444) 7.819 16.161 ( 0.000 7.928 -8.301) 11.478 16.378 ( 0.000 1.560 -21.254) 21.312 16.462 ( 0.000 6.683 -6.380) 9.239 16.631 ( 0.000 -1.172 -18.363) 18.400 17.574 ( 0.000 2.365 16.935) 17.099 17.781 ( 0.000 -1.138 17.733) 17.769 17.825 ( 0.000 -5.968 4.500) 7.475 18.018 ( 0.000 -10.361 3.783) 11.030 34.027 ( 0.000 5.300 -2.842) 6.014 34.153 ( 0.000 0.498 -1.395) 1.481 34.247 ( 0.000 2.163 5.169) 5.604 34.401 ( 0.000 -3.166 2.929) 4.313 36.183 ( 0.000 7.784 0.050) 7.784 36.284 ( 0.000 1.426 -3.928) 4.179 36.327 ( 0.000 1.461 2.859) 3.211 36.488 ( 0.000 -0.626 4.514) 4.557 72.576 ( 0.000 -0.089 2.726) 2.727 72.631 ( 0.000 -1.789 3.020) 3.510 72.825 ( 0.000 -8.712 14.871) 17.235 72.864 ( 0.000 -9.980 12.345) 15.874 ======================= Grid point 121 (50/162) ======================= q-point: ( 0.20 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.482 ( 2.871 20.807 -2.813) 21.192 4.736 ( -3.277 11.653 -1.661) 12.219 4.756 ( -1.369 16.530 -0.020) 16.586 4.844 ( -3.426 14.362 2.575) 14.988 5.057 ( 3.425 -2.232 -0.135) 4.091 5.193 ( -0.587 -2.878 -1.341) 3.229 5.518 ( 4.649 -12.612 0.562) 13.453 5.914 ( -4.518 -15.644 3.195) 16.594 8.258 ( 9.198 13.976 -4.316) 17.279 8.584 ( 4.380 10.172 9.563) 14.632 8.702 ( 7.066 -3.024 -4.075) 8.700 8.893 ( 4.498 9.906 -2.144) 11.088 9.457 ( -3.878 11.492 9.929) 15.674 9.601 ( -9.565 17.499 -8.287) 21.596 9.790 ( -2.116 11.214 -9.489) 14.842 9.949 ( -6.917 1.386 6.315) 9.467 10.447 ( 7.402 -3.211 5.269) 9.636 10.571 ( 8.712 -6.633 7.266) 13.141 11.173 ( -9.608 -1.161 6.167) 11.475 11.643 ( -18.976 -6.867 0.721) 20.193 12.632 ( 13.166 10.732 -6.994) 18.370 13.158 ( 9.134 -2.661 -8.356) 12.662 13.388 ( -9.403 13.360 -0.369) 16.341 13.811 ( -5.907 3.327 -5.300) 8.605 14.451 ( 10.277 10.185 2.784) 14.735 15.087 ( -5.078 10.716 2.070) 12.037 15.434 ( 1.475 -22.192 2.605) 22.393 15.625 ( -2.247 -5.995 5.916) 8.717 16.184 ( 2.358 8.315 -8.319) 11.996 16.388 ( 0.370 4.058 -15.971) 16.483 16.457 ( -0.002 4.396 -10.946) 11.795 16.615 ( -1.628 -0.706 -18.454) 18.539 17.590 ( 1.499 2.200 17.199) 17.404 17.744 ( -2.482 -0.764 16.646) 16.847 17.869 ( 2.934 -6.628 5.641) 9.185 18.009 ( -0.928 -10.168 3.823) 10.902 34.042 ( 1.422 5.069 -2.320) 5.754 34.146 ( -0.749 1.427 -0.661) 1.742 34.254 ( 0.696 1.265 4.105) 4.352 34.378 ( -2.113 -2.711 2.589) 4.303 36.204 ( 1.907 7.328 0.234) 7.576 36.281 ( -0.239 2.090 -3.128) 3.769 36.336 ( 0.895 0.838 2.370) 2.669 36.469 ( -1.761 -0.524 4.161) 4.548 72.581 ( 0.463 -0.208 2.754) 2.801 72.625 ( -0.519 -1.569 2.987) 3.413 72.829 ( 0.464 -8.932 14.611) 17.131 72.862 ( -0.227 -9.955 12.570) 16.036 ======================= Grid point 122 (51/162) ======================= q-point: ( 0.40 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.563 ( 4.705 19.210 -2.361) 19.918 4.658 ( -4.308 15.239 -1.962) 15.957 4.738 ( 0.053 16.312 1.242) 16.359 4.770 ( -3.089 16.584 2.217) 17.014 5.124 ( 2.913 -4.062 -1.396) 5.189 5.171 ( -1.672 -3.788 -1.579) 4.432 5.643 ( 7.139 -13.207 2.079) 15.156 5.792 ( -7.061 -14.549 2.986) 16.445 8.489 ( 11.723 13.545 -2.956) 18.156 8.645 ( -1.576 12.130 3.763) 12.798 8.861 ( 8.207 1.575 -4.552) 9.516 8.966 ( 0.259 7.567 -2.034) 7.840 9.372 ( -2.851 12.603 3.130) 13.295 9.413 ( -6.814 17.622 -2.381) 19.043 9.740 ( -1.011 6.342 -4.064) 7.600 9.798 ( -6.355 4.088 2.281) 7.893 10.661 ( 12.498 -3.814 6.934) 14.793 10.809 ( 12.422 -6.089 5.669) 14.950 10.948 ( -9.255 -5.037 8.159) 13.327 11.220 ( -21.016 -7.210 4.580) 22.686 12.896 ( 12.621 11.329 -6.312) 18.096 13.152 ( -12.387 13.084 -3.627) 18.379 13.400 ( 12.881 -1.223 -7.330) 14.871 13.645 ( -10.367 1.111 -6.299) 12.182 14.691 ( 12.432 10.051 1.974) 16.108 14.929 ( -10.182 10.166 1.874) 14.510 15.483 ( 3.331 -16.734 3.257) 17.371 15.560 ( -3.828 -10.561 4.495) 12.100 16.258 ( 4.577 8.822 -7.531) 12.470 16.350 ( -3.881 8.421 -7.034) 11.638 16.495 ( 3.327 0.543 -18.960) 19.257 16.565 ( -3.162 0.068 -18.776) 19.040 17.633 ( 2.613 1.558 17.646) 17.906 17.690 ( -2.799 0.491 17.567) 17.795 17.929 ( 2.840 -8.323 4.599) 9.925 17.979 ( -1.995 -9.531 4.025) 10.537 34.080 ( 2.109 4.372 -1.044) 4.965 34.121 ( -1.695 3.131 -0.100) 3.561 34.279 ( 1.806 -0.374 2.518) 3.121 34.326 ( -2.670 -1.685 2.111) 3.798 36.246 ( 1.817 5.913 -0.037) 6.186 36.272 ( -0.756 3.750 -1.502) 4.110 36.367 ( 2.201 -0.087 2.199) 3.112 36.421 ( -2.776 -0.332 3.199) 4.248 72.594 ( 0.779 -0.554 2.827) 2.984 72.611 ( -0.815 -1.066 2.913) 3.207 72.842 ( 0.665 -9.405 13.947) 16.835 72.854 ( -0.517 -9.794 13.170) 16.420 ======================= Grid point 125 (52/162) ======================= q-point: ( 0.00 0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.829 ( 0.000 16.146 -3.847) 16.598 4.908 ( 0.000 2.815 -2.138) 3.535 4.935 ( 0.000 4.295 -3.856) 5.772 5.047 ( 0.000 4.297 2.102) 4.784 5.098 ( 0.000 -5.448 -2.712) 6.086 5.208 ( 0.000 -12.319 0.325) 12.323 5.259 ( 0.000 17.904 1.894) 18.004 5.626 ( 0.000 -17.959 2.664) 18.156 8.336 ( 0.000 6.988 0.573) 7.011 8.480 ( 0.000 -7.572 -0.416) 7.583 8.780 ( 0.000 11.130 6.015) 12.651 8.917 ( 0.000 -1.963 1.169) 2.285 9.736 ( 0.000 11.709 9.429) 15.034 9.938 ( 0.000 -5.289 4.908) 7.215 9.959 ( 0.000 4.753 -8.687) 9.902 9.997 ( 0.000 4.105 -13.891) 14.485 10.332 ( 0.000 -0.542 4.942) 4.971 10.368 ( 0.000 -4.200 6.712) 7.917 11.410 ( 0.000 11.032 3.014) 11.437 11.660 ( 0.000 -12.962 0.951) 12.997 12.706 ( 0.000 12.317 -5.900) 13.658 12.921 ( 0.000 -9.211 -6.789) 11.443 13.749 ( 0.000 10.610 -1.485) 10.713 13.888 ( 0.000 -3.243 -3.469) 4.749 14.585 ( 0.000 15.948 3.956) 16.431 14.960 ( 0.000 -21.640 3.528) 21.926 15.351 ( 0.000 10.114 3.242) 10.621 15.528 ( 0.000 -7.629 4.806) 9.017 16.292 ( 0.000 5.205 -12.502) 13.543 16.367 ( 0.000 -2.359 -17.365) 17.524 16.563 ( 0.000 3.597 -9.164) 9.845 16.610 ( 0.000 -1.369 -13.160) 13.231 17.635 ( 0.000 3.843 11.294) 11.930 17.722 ( 0.000 -4.763 6.744) 8.257 17.781 ( 0.000 1.348 13.867) 13.932 17.851 ( 0.000 -6.124 8.976) 10.866 34.123 ( 0.000 3.875 -2.659) 4.700 34.161 ( 0.000 -0.159 -1.808) 1.815 34.277 ( 0.000 1.424 4.547) 4.765 34.328 ( 0.000 -3.720 3.511) 5.115 36.279 ( 0.000 2.254 -1.173) 2.541 36.298 ( 0.000 0.016 -2.606) 2.606 36.387 ( 0.000 4.103 3.772) 5.574 36.457 ( 0.000 -2.589 4.368) 5.078 72.603 ( 0.000 2.658 5.874) 6.448 72.624 ( 0.000 0.904 6.440) 6.503 72.695 ( 0.000 -4.385 9.938) 10.862 72.706 ( 0.000 -5.850 8.737) 10.515 ======================= Grid point 126 (53/162) ======================= q-point: ( 0.20 0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.836 ( 0.787 13.022 -4.151) 13.690 4.925 ( 0.100 9.099 -2.994) 9.579 4.949 ( 2.565 2.785 -2.298) 4.429 5.026 ( -1.017 2.602 0.540) 2.845 5.102 ( -0.386 -3.979 -1.359) 4.223 5.221 ( -2.846 15.996 0.801) 16.267 5.254 ( 3.705 -11.757 1.555) 12.424 5.585 ( -3.773 -17.579 2.569) 18.162 8.440 ( 9.679 7.128 0.220) 12.023 8.578 ( 9.166 -6.718 -0.831) 11.395 8.833 ( 4.135 10.673 4.988) 12.485 8.967 ( 3.955 -2.098 0.731) 4.536 9.687 ( -4.254 11.237 7.139) 13.976 9.871 ( -6.551 1.890 -4.190) 8.003 9.874 ( -6.865 0.864 -2.909) 7.506 9.942 ( -4.504 1.289 -8.469) 9.678 10.412 ( 7.563 -0.113 5.617) 9.421 10.455 ( 8.118 -4.455 6.854) 11.520 11.256 ( -13.527 8.614 4.504) 16.657 11.461 ( -17.006 -10.815 2.996) 20.375 12.852 ( 11.962 10.928 -6.547) 17.475 13.044 ( 10.921 -8.135 -6.923) 15.277 13.644 ( -9.416 11.267 -2.608) 14.913 13.802 ( -7.793 -4.312 -4.086) 9.799 14.689 ( 9.081 14.238 3.508) 17.248 15.020 ( 5.642 -19.168 3.592) 20.301 15.297 ( -5.351 10.159 3.070) 11.886 15.481 ( -4.538 -8.396 4.477) 10.542 16.320 ( 2.730 5.327 -12.111) 13.509 16.395 ( 2.652 -2.200 -16.596) 16.950 16.547 ( -1.695 3.752 -9.301) 10.172 16.597 ( -1.381 -1.448 -13.298) 13.448 17.649 ( 1.312 3.849 11.634) 12.324 17.731 ( 0.559 -2.876 8.393) 8.890 17.775 ( -0.343 -0.491 12.333) 12.348 17.843 ( -0.794 -6.256 8.748) 10.784 34.135 ( 1.203 3.874 -2.056) 4.548 34.170 ( 0.798 0.451 -1.238) 1.541 34.266 ( -0.909 0.712 3.758) 3.931 34.311 ( -1.573 -3.543 2.893) 4.837 36.296 ( 1.475 1.987 -0.704) 2.573 36.309 ( 1.057 0.467 -1.824) 2.159 36.380 ( -0.658 3.546 3.219) 4.834 36.443 ( -1.390 -2.303 3.903) 4.741 72.606 ( 0.296 2.648 5.901) 6.474 72.624 ( -0.032 1.299 6.302) 6.434 72.694 ( -0.019 -4.778 9.870) 10.965 72.705 ( -0.155 -5.866 8.901) 10.661 ======================= Grid point 127 (54/162) ======================= q-point: ( 0.40 0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.862 ( 1.752 10.718 -3.847) 11.522 4.903 ( -1.957 10.171 -3.439) 10.914 5.019 ( 3.071 -1.468 -1.732) 3.820 5.038 ( 2.338 6.367 -1.117) 6.874 5.078 ( -1.258 -1.024 -0.259) 1.643 5.138 ( -4.662 18.005 1.683) 18.674 5.360 ( 6.008 -15.297 1.559) 16.508 5.484 ( -5.809 -16.581 2.197) 17.706 8.685 ( 12.615 7.834 -0.096) 14.850 8.814 ( 12.449 -4.988 -1.208) 13.465 8.866 ( -3.242 9.411 1.891) 10.132 8.998 ( -3.423 -3.294 -0.239) 4.757 9.620 ( -0.113 10.960 1.128) 11.019 9.709 ( -7.546 10.897 -5.061) 14.188 9.769 ( -1.533 -3.548 -0.526) 3.901 9.829 ( -5.775 -1.543 -3.317) 6.837 10.628 ( 13.176 0.778 6.888) 14.888 10.692 ( 15.077 -5.241 6.850) 17.369 10.936 ( -16.189 3.768 6.600) 17.884 11.063 ( -20.114 -8.047 5.926) 22.460 13.124 ( 13.964 11.147 -6.328) 18.954 13.312 ( 14.210 -7.365 -6.647) 17.331 13.405 ( -13.217 11.782 -4.687) 18.316 13.591 ( -12.474 -6.424 -5.543) 15.086 14.909 ( 11.650 12.035 2.854) 16.992 15.136 ( -9.991 10.665 2.723) 14.865 15.172 ( 8.612 -14.571 3.557) 17.296 15.349 ( -8.108 -10.763 3.803) 14.002 16.397 ( 4.517 5.320 -10.883) 12.929 16.463 ( 2.545 0.285 -13.570) 13.810 16.495 ( -2.229 2.213 -11.307) 11.735 16.550 ( -3.211 -1.800 -13.928) 14.406 17.684 ( 1.998 3.717 12.439) 13.136 17.722 ( -1.483 2.828 12.695) 13.091 17.786 ( 1.458 -5.985 8.123) 10.195 17.819 ( -1.512 -6.478 8.212) 10.568 34.167 ( 1.614 4.059 -0.451) 4.391 34.185 ( 0.204 3.033 0.197) 3.046 34.250 ( -0.177 -2.092 1.682) 2.690 34.272 ( -1.936 -3.389 1.555) 4.201 36.327 ( 1.363 2.236 -0.075) 2.620 36.340 ( 1.164 2.346 0.629) 2.693 36.367 ( 0.063 0.572 1.777) 1.868 36.404 ( -2.294 -1.595 2.636) 3.841 72.614 ( 0.408 2.534 5.962) 6.491 72.621 ( -0.252 2.080 6.076) 6.427 72.695 ( 0.156 -5.501 9.645) 11.105 72.700 ( -0.257 -5.847 9.265) 10.958 ======================= Grid point 170 (55/162) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 0.000 31.699) 31.699 1.579 ( 0.000 0.000 35.045) 35.045 2.498 ( 0.000 0.000 58.627) 58.627 3.597 ( 0.000 0.000 6.398) 6.398 3.672 ( 0.000 0.000 15.003) 15.003 3.712 ( 0.000 0.000 -1.513) 1.513 4.542 ( 0.000 0.000 -6.211) 6.211 4.759 ( 0.000 0.000 -3.526) 3.526 6.094 ( 0.000 0.000 -9.505) 9.505 6.469 ( 0.000 0.000 9.541) 9.541 6.869 ( 0.000 0.000 19.712) 19.712 7.991 ( 0.000 0.000 6.866) 6.866 8.462 ( 0.000 0.000 -3.022) 3.022 8.586 ( 0.000 0.000 -3.784) 3.784 8.962 ( 0.000 0.000 20.431) 20.431 9.777 ( 0.000 0.000 13.348) 13.348 9.876 ( 0.000 0.000 -0.342) 0.342 10.256 ( 0.000 0.000 -3.506) 3.506 11.142 ( 0.000 0.000 -18.717) 18.717 12.106 ( 0.000 0.000 -11.760) 11.760 12.276 ( 0.000 0.000 -29.143) 29.143 12.332 ( 0.000 0.000 -11.484) 11.484 12.475 ( 0.000 0.000 4.936) 4.936 12.648 ( 0.000 0.000 6.980) 6.980 13.263 ( 0.000 0.000 -21.099) 21.099 13.667 ( 0.000 0.000 -4.862) 4.862 13.905 ( 0.000 0.000 -5.550) 5.550 14.092 ( 0.000 0.000 4.835) 4.835 15.035 ( 0.000 0.000 3.015) 3.015 16.241 ( 0.000 0.000 0.248) 0.248 16.599 ( 0.000 0.000 17.462) 17.462 17.668 ( 0.000 0.000 -14.188) 14.188 18.196 ( 0.000 0.000 20.961) 20.961 18.936 ( 0.000 0.000 -1.474) 1.474 19.333 ( 0.000 0.000 3.120) 3.120 19.344 ( 0.000 0.000 6.029) 6.029 33.085 ( 0.000 0.000 6.943) 6.943 33.187 ( 0.000 0.000 6.057) 6.057 34.194 ( 0.000 0.000 3.488) 3.488 34.322 ( 0.000 0.000 -4.357) 4.357 34.434 ( 0.000 0.000 -5.333) 5.333 35.553 ( 0.000 0.000 -14.961) 14.961 36.840 ( 0.000 0.000 -1.020) 1.020 36.939 ( 0.000 0.000 1.973) 1.973 73.380 ( 0.000 0.000 -4.679) 4.679 73.622 ( 0.000 0.000 0.225) 0.225 75.968 ( 0.000 0.000 51.776) 51.776 81.445 ( 0.000 0.000 -19.267) 19.267 ======================= Grid point 171 (56/162) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 19.237 0.000 26.328) 32.607 1.655 ( 11.679 0.000 31.957) 34.024 2.896 ( 30.025 0.000 45.681) 54.664 3.168 ( -25.297 0.000 6.477) 26.113 3.369 ( -21.709 0.000 13.529) 25.580 4.058 ( 17.237 0.000 -0.562) 17.246 4.661 ( 3.638 0.000 -0.834) 3.732 4.715 ( -4.231 0.000 -3.383) 5.417 5.817 ( -11.362 0.000 2.653) 11.668 6.677 ( -15.337 0.000 12.886) 20.032 6.889 ( 24.659 0.000 6.962) 25.623 7.935 ( -5.758 0.000 6.726) 8.854 8.471 ( 0.902 0.000 -3.055) 3.186 8.571 ( -1.390 0.000 -3.652) 3.908 9.024 ( 6.241 0.000 19.106) 20.099 9.695 ( -7.895 0.000 11.378) 13.849 9.915 ( 3.688 0.000 -0.717) 3.757 10.222 ( -3.231 0.000 -3.260) 4.590 11.141 ( 1.232 0.000 -16.697) 16.743 11.762 ( -17.743 0.000 -17.503) 24.923 12.397 ( 8.595 0.000 -19.697) 21.491 12.488 ( 1.284 0.000 5.134) 5.292 12.627 ( -1.924 0.000 6.774) 7.042 12.717 ( 19.418 0.000 -23.776) 30.698 13.251 ( 2.059 0.000 -19.610) 19.717 13.695 ( 2.525 0.000 -4.906) 5.517 13.886 ( -1.840 0.000 -5.476) 5.777 14.079 ( -3.259 0.000 -3.377) 4.693 15.091 ( 6.617 0.000 9.962) 11.959 16.037 ( -15.516 0.000 12.086) 19.668 16.718 ( 8.121 0.000 7.849) 11.295 17.471 ( -15.158 0.000 -7.786) 17.041 18.334 ( 9.872 0.000 17.426) 20.028 18.831 ( -8.168 0.000 4.925) 9.538 19.297 ( -1.388 0.000 3.029) 3.332 19.349 ( -0.949 0.000 9.454) 9.502 33.094 ( 0.864 0.000 6.864) 6.919 33.177 ( -1.002 0.000 6.149) 6.230 34.333 ( 1.091 0.000 -4.457) 4.589 34.424 ( -0.953 0.000 -5.246) 5.332 34.510 ( 25.367 0.000 -9.862) 27.216 35.505 ( -4.894 0.000 -15.988) 16.720 36.846 ( 0.620 0.000 -0.689) 0.928 36.926 ( -1.164 0.000 1.769) 2.118 73.361 ( -1.392 0.000 -3.572) 3.834 73.543 ( -6.432 0.000 -0.836) 6.486 76.274 ( 28.841 0.000 53.074) 60.404 80.296 ( -91.974 0.000 26.349) 95.674 ======================= Grid point 172 (57/162) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 27.047 0.000 17.741) 32.346 2.082 ( 28.040 0.000 19.907) 34.388 2.622 ( -27.791 0.000 11.105) 29.927 2.704 ( -30.826 0.000 13.087) 33.489 3.738 ( 38.329 0.000 30.088) 48.727 4.367 ( 12.919 0.000 -1.990) 13.071 4.432 ( -26.101 0.000 12.864) 29.099 4.585 ( -8.533 0.000 -2.910) 9.015 5.861 ( 14.571 0.000 8.174) 16.707 6.265 ( -22.206 0.000 11.864) 25.176 7.377 ( 21.439 0.000 4.582) 21.923 7.739 ( -13.719 0.000 6.080) 15.006 8.497 ( 1.644 0.000 -3.170) 3.571 8.535 ( -1.935 0.000 -3.386) 3.900 9.213 ( 11.809 0.000 15.024) 19.110 9.475 ( -12.828 0.000 11.432) 17.183 10.014 ( 5.672 0.000 -1.607) 5.895 10.131 ( -5.400 0.000 -2.568) 5.980 11.229 ( 7.582 0.000 -17.028) 18.640 11.445 ( -13.272 0.000 -18.471) 22.745 12.525 ( 2.307 0.000 5.642) 6.096 12.578 ( -2.685 0.000 6.262) 6.813 12.610 ( 11.317 0.000 -23.003) 25.636 12.814 ( -6.867 0.000 -25.280) 26.196 13.517 ( 20.263 0.000 -19.156) 27.884 13.761 ( 3.636 0.000 -5.059) 6.230 13.833 ( -3.230 0.000 -5.284) 6.193 13.894 ( -14.826 0.000 -15.200) 21.233 15.329 ( 15.969 0.000 19.411) 25.135 15.688 ( -18.072 0.000 19.972) 26.935 16.900 ( 10.311 0.000 1.636) 10.440 17.155 ( -14.580 0.000 -2.350) 14.768 18.523 ( 8.184 0.000 16.001) 17.972 18.673 ( -7.083 0.000 12.587) 14.443 19.289 ( 0.591 0.000 5.332) 5.364 19.316 ( -1.809 0.000 8.588) 8.776 33.118 ( 1.458 0.000 6.654) 6.812 33.150 ( -1.542 0.000 6.381) 6.565 34.363 ( 1.686 0.000 -4.712) 5.005 34.397 ( -1.602 0.000 -5.013) 5.262 35.011 ( 21.052 0.000 -19.574) 28.746 35.341 ( -11.609 0.000 -18.581) 21.909 36.866 ( 1.288 0.000 0.143) 1.295 36.896 ( -1.615 0.000 1.103) 1.955 73.351 ( 1.082 0.000 -2.684) 2.894 73.416 ( -5.148 0.000 -2.532) 5.737 77.106 ( 52.586 0.000 58.038) 78.318 78.451 ( -80.148 0.000 58.906) 99.467 ======================= Grid point 175 (58/162) ======================= q-point: ( 0.00 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.000 16.305 30.411) 34.506 1.857 ( 0.000 36.598 26.523) 45.198 2.701 ( 0.000 24.359 50.547) 56.110 3.691 ( 0.000 2.660 14.569) 14.810 3.838 ( 0.000 21.677 5.869) 22.458 3.866 ( 0.000 13.441 -1.203) 13.495 4.603 ( 0.000 7.644 -5.190) 9.239 4.974 ( 0.000 20.349 -4.455) 20.831 6.135 ( 0.000 4.670 -9.438) 10.530 6.444 ( 0.000 -2.353 8.371) 8.695 6.871 ( 0.000 0.625 19.391) 19.401 7.943 ( 0.000 -4.529 7.103) 8.424 8.577 ( 0.000 10.886 -2.930) 11.274 8.838 ( 0.000 19.738 0.283) 19.740 8.974 ( 0.000 4.312 12.492) 13.215 9.671 ( 0.000 -4.795 11.289) 12.265 10.110 ( 0.000 17.219 0.535) 17.227 10.271 ( 0.000 0.247 -2.692) 2.703 11.163 ( 0.000 2.152 -16.122) 16.265 11.694 ( 0.000 -23.569 1.212) 23.600 11.997 ( 0.000 -9.577 -12.786) 15.975 12.310 ( 0.000 -1.263 -5.417) 5.562 12.612 ( 0.000 -2.596 5.412) 6.003 13.109 ( 0.000 -9.952 -15.510) 18.428 13.190 ( 0.000 36.329 -23.905) 43.489 13.928 ( 0.000 17.830 -7.472) 19.333 14.068 ( 0.000 17.737 -6.849) 19.014 14.244 ( 0.000 13.980 1.738) 14.088 15.037 ( 0.000 0.482 0.830) 0.960 16.180 ( 0.000 -5.713 -1.146) 5.827 16.551 ( 0.000 -4.739 16.982) 17.631 17.609 ( 0.000 -5.919 -14.128) 15.318 18.164 ( 0.000 -3.018 21.093) 21.308 18.896 ( 0.000 -4.017 -0.871) 4.110 19.139 ( 0.000 -17.235 13.759) 22.054 19.273 ( 0.000 -5.854 2.677) 6.437 33.147 ( 0.000 6.061 6.772) 9.088 33.383 ( 0.000 17.040 0.285) 17.042 34.083 ( 0.000 -6.121 1.464) 6.294 34.414 ( 0.000 -2.029 -5.441) 5.807 34.494 ( 0.000 12.372 -2.033) 12.538 35.577 ( 0.000 2.457 -13.932) 14.147 36.811 ( 0.000 -2.814 -0.680) 2.895 36.906 ( 0.000 -3.177 1.983) 3.745 73.340 ( 0.000 -3.912 -4.368) 5.864 73.533 ( 0.000 -8.583 0.924) 8.632 75.833 ( 0.000 -13.312 50.292) 52.023 80.028 ( 0.000 -118.191 35.991) 123.549 ======================= Grid point 176 (59/162) ======================= q-point: ( 0.20 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 8.404 14.561 28.824) 33.369 2.021 ( 15.117 34.574 22.952) 44.167 3.071 ( 26.529 20.210 38.896) 51.236 3.354 ( -22.132 10.126 10.122) 26.359 3.451 ( -20.106 14.633 10.909) 27.155 4.242 ( 16.888 16.869 -0.106) 23.870 4.695 ( 2.681 6.103 -1.632) 6.863 4.942 ( -3.706 20.027 -3.803) 20.719 5.854 ( -11.487 4.089 2.675) 12.483 6.671 ( -13.112 -0.513 10.337) 16.705 6.873 ( 22.105 -0.926 8.464) 23.689 7.888 ( -5.699 -4.490 6.854) 9.981 8.596 ( 1.823 11.702 -2.941) 12.203 8.806 ( -3.265 20.930 -2.985) 21.392 9.015 ( 4.805 -0.061 16.015) 16.720 9.601 ( -6.975 -6.013 9.590) 13.295 10.103 ( 0.892 14.026 0.372) 14.059 10.293 ( 0.379 6.885 -2.423) 7.309 11.136 ( -0.364 -0.399 -13.042) 13.053 11.633 ( -9.227 -8.894 -15.712) 20.275 12.027 ( 7.919 -16.963 0.631) 18.731 12.465 ( 10.092 -3.994 -5.357) 12.103 12.577 ( -2.997 -3.487 1.129) 4.734 12.984 ( -6.785 0.401 -17.752) 19.009 13.403 ( 14.871 23.864 -22.962) 36.303 13.924 ( 0.107 17.275 -6.462) 18.445 14.039 ( -2.437 16.196 -6.502) 17.621 14.238 ( -2.629 14.497 -7.101) 16.355 15.099 ( 6.999 1.121 7.884) 10.602 15.997 ( -14.113 -3.671 9.283) 17.287 16.663 ( 8.051 -5.431 8.352) 12.808 17.424 ( -14.536 -4.712 -8.124) 17.306 18.292 ( 9.315 -4.022 17.842) 20.525 18.771 ( -8.615 -5.984 7.710) 13.018 19.179 ( 2.096 -11.256 8.515) 14.269 19.267 ( -0.719 -6.452 4.733) 8.035 33.159 ( 1.214 6.398 6.728) 9.364 33.322 ( -4.143 13.116 3.902) 14.298 34.223 ( 7.442 -6.835 -4.724) 11.154 34.402 ( -1.105 -2.161 -5.356) 5.881 34.663 ( 17.131 11.292 -7.823) 21.958 35.529 ( -4.845 2.494 -14.744) 15.719 36.818 ( 0.639 -2.788 -0.396) 2.888 36.895 ( -1.065 -3.076 1.785) 3.712 73.321 ( -1.461 -3.978 -3.190) 5.304 73.468 ( -5.289 -7.212 -0.486) 8.957 76.101 ( 25.255 -16.826 51.832) 60.062 79.268 ( -63.257 -88.985 52.967) 121.348 ======================= Grid point 177 (60/162) ======================= q-point: ( 0.40 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 23.840 9.440 18.939) 31.877 2.407 ( 18.692 24.793 16.749) 35.279 2.752 ( -24.626 12.455 12.113) 30.138 2.958 ( -24.454 24.675 12.665) 36.977 3.860 ( 36.805 13.529 26.514) 47.335 4.507 ( -21.572 8.799 9.734) 25.249 4.547 ( 11.595 16.886 -2.009) 20.582 4.779 ( -10.480 18.055 -1.671) 20.943 5.887 ( 13.841 3.163 7.969) 16.281 6.276 ( -21.561 1.557 11.300) 24.393 7.341 ( 20.914 -3.173 4.469) 21.620 7.695 ( -13.423 -4.109 5.961) 15.251 8.649 ( 3.239 14.074 -2.837) 14.718 8.725 ( -4.145 17.552 -2.937) 18.272 9.173 ( 10.225 -3.345 13.302) 17.108 9.404 ( -11.443 -5.691 9.579) 15.972 10.162 ( 4.396 12.605 0.246) 13.352 10.254 ( -3.852 11.402 -1.012) 12.078 11.202 ( 6.907 -1.943 -14.730) 16.384 11.399 ( -11.660 -2.860 -17.694) 21.383 12.244 ( 11.140 -15.049 1.028) 18.751 12.443 ( -7.940 -9.556 4.218) 13.121 12.683 ( 8.800 -1.060 -13.863) 16.455 12.844 ( -7.129 -0.151 -16.106) 17.614 13.740 ( 16.778 19.164 -23.514) 34.665 13.948 ( 2.393 16.586 -5.815) 17.738 13.974 ( -4.347 14.403 -8.650) 17.354 14.086 ( -11.317 16.253 -16.009) 25.466 15.337 ( 15.425 1.094 16.786) 22.824 15.676 ( -16.802 -0.945 16.869) 23.828 16.851 ( 10.762 -4.977 2.004) 12.025 17.113 ( -14.743 -4.226 -2.480) 15.536 18.471 ( 7.801 -4.935 16.608) 19.001 18.615 ( -6.780 -5.595 14.037) 16.562 19.212 ( 1.414 -7.490 6.335) 9.911 19.243 ( -1.539 -6.688 6.257) 9.288 33.194 ( 2.171 7.387 6.519) 10.088 33.248 ( -3.068 9.317 5.910) 11.452 34.319 ( 3.086 -3.932 -5.144) 7.173 34.370 ( -2.023 -2.649 -5.188) 6.166 35.065 ( 18.657 5.224 -16.433) 25.405 35.369 ( -11.113 2.942 -16.596) 20.188 36.837 ( 1.263 -2.781 0.332) 3.072 36.867 ( -1.523 -2.888 1.180) 3.471 73.308 ( 0.795 -4.276 -2.338) 4.938 73.362 ( -4.365 -5.260 -2.308) 7.214 76.819 ( 44.573 -27.277 57.476) 77.681 77.915 ( -62.518 -49.125 62.959) 101.418 ======================= Grid point 180 (61/162) ======================= q-point: ( 0.00 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.000 25.544 21.708) 33.522 2.405 ( 0.000 20.577 34.190) 39.905 3.531 ( 0.000 49.382 23.944) 54.880 3.792 ( 0.000 12.198 15.051) 19.373 4.126 ( 0.000 10.823 -1.539) 10.932 4.341 ( 0.000 25.838 5.342) 26.385 4.882 ( 0.000 19.659 -0.989) 19.684 5.504 ( 0.000 31.828 -6.274) 32.440 6.311 ( 0.000 14.022 -9.549) 16.965 6.381 ( 0.000 -3.959 4.903) 6.302 6.928 ( 0.000 6.390 17.363) 18.501 7.822 ( 0.000 -7.336 7.505) 10.495 8.839 ( 0.000 13.916 -3.286) 14.299 8.936 ( 0.000 0.286 17.285) 17.287 9.413 ( 0.000 25.257 -5.473) 25.843 9.607 ( 0.000 -1.873 11.404) 11.557 10.236 ( 0.000 -1.736 -0.794) 1.909 10.500 ( 0.000 21.324 -2.992) 21.533 11.212 ( 0.000 1.492 -5.214) 5.423 11.489 ( 0.000 1.709 3.597) 3.982 11.819 ( 0.000 -5.665 -17.792) 18.672 12.299 ( 0.000 0.143 6.759) 6.761 12.584 ( 0.000 0.811 -1.066) 1.340 12.936 ( 0.000 -7.453 -12.388) 14.457 13.740 ( 0.000 18.572 -19.845) 27.180 14.283 ( 0.000 19.354 -4.197) 19.804 14.546 ( 0.000 27.274 -9.560) 28.901 14.577 ( 0.000 17.891 -6.023) 18.877 15.069 ( 0.000 3.192 -2.857) 4.284 16.055 ( 0.000 -5.633 -7.129) 9.086 16.423 ( 0.000 -7.773 15.483) 17.325 17.437 ( 0.000 -11.357 -13.373) 17.545 18.092 ( 0.000 -3.786 21.374) 21.707 18.779 ( 0.000 -7.734 0.746) 7.770 18.802 ( 0.000 -15.024 20.390) 25.327 19.118 ( 0.000 -9.451 1.242) 9.532 33.309 ( 0.000 9.765 5.945) 11.432 33.748 ( 0.000 18.038 -3.612) 18.396 33.994 ( 0.000 -2.694 2.219) 3.490 34.356 ( 0.000 -3.717 -5.457) 6.603 34.767 ( 0.000 15.021 -1.653) 15.111 35.654 ( 0.000 5.316 -11.613) 12.772 36.734 ( 0.000 -4.855 0.215) 4.860 36.821 ( 0.000 -5.161 1.858) 5.485 73.232 ( 0.000 -6.746 -3.452) 7.578 73.314 ( 0.000 -12.592 2.175) 12.779 75.466 ( 0.000 -22.894 46.173) 51.537 77.706 ( 0.000 -104.864 74.240) 128.484 ======================= Grid point 181 (62/162) ======================= q-point: ( 0.20 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 4.584 23.243 22.463) 32.647 2.601 ( 14.409 22.433 26.284) 37.439 3.485 ( -21.440 8.051 10.482) 25.186 3.786 ( 18.222 45.724 20.026) 53.139 3.881 ( -14.107 24.133 11.760) 30.327 4.614 ( 16.413 18.155 0.959) 24.493 4.938 ( 2.263 18.134 -1.752) 18.358 5.454 ( -6.042 30.279 -4.820) 31.250 6.008 ( -9.986 12.152 2.245) 15.888 6.660 ( -3.168 -0.129 4.046) 5.140 6.905 ( 11.140 5.897 10.107) 16.156 7.771 ( -5.273 -6.916 6.843) 11.067 8.874 ( 3.579 14.579 -2.845) 15.279 8.976 ( 3.717 -0.363 15.733) 16.170 9.321 ( -8.137 23.634 -2.702) 25.141 9.495 ( -8.849 -4.422 8.171) 12.831 10.295 ( 4.919 5.476 1.254) 7.467 10.552 ( 2.739 18.612 -2.368) 18.961 11.151 ( -1.897 2.739 -4.864) 5.895 11.596 ( -0.520 6.198 -14.475) 15.754 11.763 ( 3.867 -10.018 -0.482) 10.750 12.377 ( 3.467 -4.489 8.961) 10.606 12.550 ( -1.102 1.719 -9.196) 9.420 12.901 ( -3.133 -4.969 -11.524) 12.935 13.856 ( 10.252 17.019 -20.371) 28.456 14.282 ( 0.278 19.480 -4.184) 19.926 14.476 ( -4.965 25.063 -7.727) 26.693 14.567 ( -3.237 16.392 -13.473) 21.464 15.161 ( 8.702 5.962 2.307) 10.798 15.923 ( -10.649 -2.858 0.352) 11.032 16.515 ( 7.476 -9.052 9.130) 14.872 17.286 ( -12.710 -9.327 -8.639) 17.977 18.191 ( 7.698 -5.532 19.075) 21.301 18.613 ( -7.932 -9.143 13.668) 18.257 18.940 ( 5.616 -11.905 8.372) 15.600 19.107 ( -1.046 -9.516 1.838) 9.748 33.330 ( 2.023 10.258 6.029) 12.069 33.620 ( -7.885 15.451 2.403) 17.512 34.119 ( 7.233 -3.129 -3.047) 8.449 34.342 ( -1.363 -3.791 -5.295) 6.653 34.910 ( 12.793 13.401 -5.700) 19.384 35.607 ( -4.607 5.474 -11.990) 13.963 36.741 ( 0.690 -4.812 0.387) 4.877 36.812 ( -0.880 -5.062 1.725) 5.420 73.210 ( -1.669 -7.010 -1.795) 7.426 73.282 ( -2.752 -10.784 -0.094) 11.130 75.651 ( 17.291 -27.409 48.003) 57.918 77.409 ( -26.403 -89.089 71.657) 117.340 ======================= Grid point 182 (63/162) ======================= q-point: ( 0.40 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 17.841 17.799 16.116) 29.914 2.780 ( -8.983 14.664 13.527) 21.879 3.159 ( 3.392 22.845 17.445) 28.944 3.483 ( -19.875 24.186 14.856) 34.651 4.338 ( 28.209 34.918 14.451) 47.158 4.804 ( -12.474 20.620 2.885) 24.272 4.952 ( 11.563 21.505 -1.017) 24.438 5.227 ( -14.101 25.670 1.029) 29.306 6.030 ( 11.143 12.734 6.436) 18.104 6.356 ( -18.495 7.518 9.525) 22.120 7.278 ( 18.512 -2.251 3.397) 18.955 7.595 ( -12.140 -5.383 5.189) 14.258 8.977 ( 6.163 16.759 -1.496) 17.919 9.076 ( 3.407 3.446 10.371) 11.447 9.155 ( -4.094 12.733 0.648) 13.390 9.295 ( -10.122 -3.862 6.787) 12.785 10.415 ( 6.509 11.994 2.553) 13.883 10.536 ( -4.313 15.682 1.287) 16.316 11.211 ( 7.479 4.214 -10.680) 13.703 11.414 ( -11.295 5.138 -15.485) 19.843 12.011 ( 14.243 -8.038 1.995) 16.476 12.275 ( -10.853 -6.909 4.301) 13.565 12.655 ( 8.317 -0.260 -10.610) 13.484 12.808 ( -6.137 -2.130 -10.237) 12.124 14.105 ( 12.879 14.983 -20.619) 28.557 14.295 ( -1.432 17.744 -8.808) 19.862 14.370 ( -3.407 22.047 -9.669) 24.313 14.443 ( -7.296 19.060 -13.621) 24.536 15.396 ( 13.405 5.535 7.542) 16.346 15.674 ( -13.272 1.459 6.807) 14.987 16.711 ( 11.798 -8.886 2.877) 15.047 16.990 ( -15.020 -8.103 -2.600) 17.263 18.346 ( 6.922 -7.064 17.996) 20.534 18.474 ( -6.005 -7.873 16.613) 19.340 19.025 ( 3.082 -10.652 5.763) 12.497 19.076 ( -1.981 -9.799 3.433) 10.570 33.389 ( 3.706 11.576 6.020) 13.564 33.482 ( -5.562 13.432 5.285) 15.469 34.233 ( 4.191 -4.101 -4.469) 7.373 34.301 ( -2.615 -3.990 -4.919) 6.852 35.208 ( 14.588 9.040 -11.203) 20.495 35.461 ( -9.828 6.347 -12.544) 17.152 36.761 ( 1.230 -4.774 0.829) 5.000 36.788 ( -1.347 -4.871 1.346) 5.230 73.190 ( 0.215 -7.313 -1.231) 7.419 73.222 ( -2.658 -8.393 -1.794) 8.985 76.128 ( 28.400 -39.951 54.090) 72.996 76.770 ( -33.321 -61.068 63.533) 94.213 ======================= Grid point 185 (64/162) ======================= q-point: ( 0.00 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 0.000 28.960 14.223) 32.265 2.794 ( 0.000 19.902 28.891) 35.082 3.874 ( 0.000 8.655 10.404) 13.533 4.298 ( 0.000 7.446 -2.377) 7.816 4.700 ( 0.000 38.393 10.887) 39.907 4.796 ( 0.000 34.241 8.763) 35.344 5.256 ( 0.000 14.866 6.956) 16.413 6.132 ( 0.000 19.672 -3.244) 19.938 6.343 ( 0.000 11.392 -4.148) 12.124 6.695 ( 0.000 23.125 -7.784) 24.400 7.178 ( 0.000 19.491 10.034) 21.923 7.683 ( 0.000 -5.066 5.785) 7.690 8.942 ( 0.000 0.355 12.566) 12.571 9.071 ( 0.000 8.700 -4.718) 9.896 9.602 ( 0.000 1.695 10.468) 10.604 9.675 ( 0.000 0.868 11.850) 11.882 10.367 ( 0.000 14.817 -7.137) 16.446 10.922 ( 0.000 20.917 -6.058) 21.777 11.151 ( 0.000 -7.681 6.462) 10.037 11.677 ( 0.000 15.737 0.142) 15.738 11.844 ( 0.000 6.663 -18.379) 19.550 12.282 ( 0.000 -2.759 8.331) 8.776 12.688 ( 0.000 9.906 -2.407) 10.195 12.831 ( 0.000 -2.063 -11.878) 12.056 13.959 ( 0.000 5.497 -7.810) 9.550 14.694 ( 0.000 21.659 -3.031) 21.870 14.841 ( 0.000 5.972 -10.918) 12.444 15.082 ( 0.000 26.070 -8.802) 27.516 15.204 ( 0.000 11.849 -4.561) 12.696 15.998 ( 0.000 0.236 -17.197) 17.198 16.262 ( 0.000 -8.066 13.194) 15.465 17.165 ( 0.000 -15.898 -10.977) 19.320 18.029 ( 0.000 -2.464 21.576) 21.716 18.561 ( 0.000 -9.652 20.711) 22.849 18.599 ( 0.000 -10.175 2.392) 10.452 18.914 ( 0.000 -10.901 -0.614) 10.918 33.506 ( 0.000 9.408 3.532) 10.049 33.986 ( 0.000 2.084 4.695) 5.137 34.063 ( 0.000 13.310 -2.373) 13.519 34.279 ( 0.000 -3.436 -4.453) 5.624 35.079 ( 0.000 16.327 -1.460) 16.392 35.781 ( 0.000 7.294 -9.239) 11.771 36.628 ( 0.000 -5.620 1.401) 5.792 36.713 ( 0.000 -5.512 1.731) 5.777 73.067 ( 0.000 -11.789 2.988) 12.162 73.085 ( 0.000 -7.817 -1.974) 8.062 74.963 ( 0.000 -27.176 40.318) 48.622 75.992 ( 0.000 -70.041 66.467) 96.559 ======================= Grid point 186 (65/162) ======================= q-point: ( 0.20 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 1.720 26.569 16.804) 31.484 2.998 ( 12.721 19.549 21.717) 31.869 3.676 ( -15.206 11.443 9.610) 21.319 4.173 ( -12.034 11.139 6.986) 17.824 4.779 ( 8.550 32.126 5.954) 33.773 4.994 ( 16.337 33.536 8.277) 38.210 5.285 ( 1.076 13.483 3.105) 13.878 6.045 ( -8.283 22.777 -1.111) 24.261 6.315 ( -0.335 20.085 -2.590) 20.254 6.750 ( -0.453 12.582 -0.825) 12.617 7.157 ( 1.890 19.733 5.655) 20.614 7.649 ( -3.546 -3.578 4.581) 6.809 8.966 ( 2.287 -0.327 11.718) 11.943 9.117 ( 4.329 8.670 -3.751) 10.391 9.413 ( -11.921 -2.403 9.145) 15.216 9.658 ( -5.702 8.625 7.930) 13.030 10.467 ( 8.515 12.842 -2.581) 15.624 10.919 ( -1.479 17.259 -1.748) 17.410 11.191 ( 4.438 -1.686 3.470) 5.881 11.691 ( -2.410 4.513 -7.037) 8.701 11.820 ( 2.046 14.453 -11.551) 18.615 12.293 ( -0.586 -3.800 7.520) 8.446 12.655 ( -1.229 8.306 -8.778) 12.147 12.841 ( -0.109 0.138 -7.393) 7.395 14.061 ( 9.261 5.180 -8.847) 13.815 14.672 ( -2.297 17.008 -5.483) 18.017 14.808 ( -3.373 9.737 -9.646) 14.116 14.974 ( -5.322 24.188 -7.212) 25.796 15.359 ( 9.880 13.755 -5.756) 17.887 15.916 ( -6.882 2.405 -12.481) 14.454 16.327 ( 6.163 -9.438 9.276) 14.598 17.055 ( -10.049 -13.936 -7.755) 18.850 18.094 ( 5.480 -4.033 20.369) 21.475 18.442 ( -6.128 -7.802 15.833) 18.684 18.711 ( 5.522 -11.335 7.198) 14.519 18.903 ( -1.116 -10.906 -0.132) 10.964 33.537 ( 2.976 9.900 3.827) 11.023 33.883 ( -6.912 10.238 3.963) 12.973 34.123 ( 3.250 3.930 -1.065) 5.210 34.266 ( -1.240 -3.288 -4.059) 5.369 35.188 ( 9.548 14.614 -3.879) 17.883 35.740 ( -4.098 7.612 -9.270) 12.676 36.636 ( 0.770 -5.563 1.436) 5.796 36.705 ( -0.760 -5.484 1.705) 5.793 73.044 ( -1.385 -9.716 1.982) 10.012 73.080 ( -0.957 -8.856 -1.565) 9.044 75.066 ( 9.667 -30.659 41.996) 52.888 75.891 ( -9.467 -64.484 62.926) 90.595 ======================= Grid point 187 (66/162) ======================= q-point: ( 0.40 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 11.908 22.737 12.271) 28.449 3.090 ( -9.864 17.199 10.438) 22.406 3.540 ( 9.193 16.632 18.357) 26.422 3.857 ( -17.469 14.437 15.271) 27.327 5.006 ( 11.876 20.109 -0.147) 23.355 5.203 ( -5.687 15.401 -0.160) 16.418 5.411 ( 19.410 32.881 6.391) 38.714 5.796 ( -16.228 31.802 3.310) 35.857 6.384 ( 7.281 20.130 3.112) 21.631 6.590 ( -11.674 15.346 6.633) 20.390 7.321 ( 11.222 9.097 0.175) 14.447 7.529 ( -8.300 0.917 2.054) 8.600 9.036 ( 4.758 -2.216 9.468) 10.826 9.164 ( -6.508 -2.471 6.885) 9.792 9.282 ( 6.391 9.277 0.191) 11.267 9.477 ( -10.524 10.939 3.146) 15.502 10.659 ( 9.476 13.120 2.086) 16.318 10.832 ( -6.894 13.972 3.084) 15.882 11.336 ( 9.215 4.874 -2.834) 10.803 11.539 ( -9.905 4.871 -7.692) 13.454 11.980 ( 10.836 6.812 -6.808) 14.497 12.194 ( -8.844 -0.153 -0.772) 8.879 12.697 ( 4.842 4.519 -7.598) 10.080 12.799 ( -4.057 1.937 -5.735) 7.287 14.297 ( 12.860 5.028 -10.639) 17.432 14.545 ( -10.362 6.396 -10.960) 16.383 14.788 ( 2.490 21.384 -5.683) 22.267 14.874 ( -4.982 23.144 -7.224) 24.752 15.561 ( 9.731 10.524 -5.497) 15.351 15.752 ( -8.881 6.235 -7.337) 13.099 16.515 ( 12.142 -10.412 3.894) 16.462 16.796 ( -14.312 -11.447 -1.938) 18.429 18.215 ( 5.894 -5.771 19.137) 20.839 18.328 ( -5.260 -6.585 17.733) 19.634 18.805 ( 3.764 -11.400 4.426) 12.796 18.868 ( -2.360 -11.052 1.563) 11.409 33.621 ( 5.142 11.101 4.408) 13.004 33.742 ( -6.589 11.982 4.586) 14.423 34.182 ( 2.636 -0.554 -1.795) 3.237 34.231 ( -2.114 -2.519 -3.038) 4.477 35.412 ( 11.193 11.269 -7.375) 17.512 35.614 ( -8.203 8.792 -8.987) 15.012 36.657 ( 1.249 -5.467 1.526) 5.811 36.684 ( -1.243 -5.442 1.630) 5.815 73.030 ( 0.198 -8.552 0.528) 8.571 73.051 ( -1.559 -8.516 -1.051) 8.721 75.325 ( 14.825 -39.739 47.062) 63.354 75.636 ( -14.722 -52.169 54.922) 77.167 ======================= Grid point 190 (67/162) ======================= q-point: ( 0.00 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 0.000 20.687 18.764) 27.929 3.299 ( 0.000 29.091 8.952) 30.437 4.070 ( 0.000 11.218 7.614) 13.558 4.440 ( 0.000 7.173 -2.903) 7.738 4.943 ( 0.000 5.564 3.387) 6.514 5.425 ( 0.000 2.923 11.485) 11.851 5.801 ( 0.000 46.976 9.161) 47.861 6.091 ( 0.000 -8.014 1.646) 8.181 6.997 ( 0.000 38.181 -12.380) 40.138 7.041 ( 0.000 7.225 1.524) 7.384 7.657 ( 0.000 26.714 0.039) 26.714 7.772 ( 0.000 17.899 -3.528) 18.244 8.949 ( 0.000 0.503 7.596) 7.612 9.178 ( 0.000 2.814 -5.048) 5.780 9.632 ( 0.000 -2.220 19.884) 20.008 9.686 ( 0.000 6.754 9.184) 11.400 10.637 ( 0.000 10.177 -2.577) 10.499 10.962 ( 0.000 -10.319 8.215) 13.190 11.316 ( 0.000 18.763 -7.555) 20.227 11.925 ( 0.000 -1.489 -5.998) 6.180 12.057 ( 0.000 19.261 5.165) 19.942 12.201 ( 0.000 -2.851 -7.138) 7.686 12.914 ( 0.000 11.140 -14.793) 18.518 12.930 ( 0.000 13.067 0.358) 13.072 14.029 ( 0.000 2.838 -2.011) 3.478 14.854 ( 0.000 -1.748 -4.391) 4.726 15.115 ( 0.000 20.395 -3.310) 20.661 15.486 ( 0.000 14.510 -10.568) 17.951 15.555 ( 0.000 21.420 -7.759) 22.782 16.044 ( 0.000 3.549 -23.158) 23.429 16.119 ( 0.000 -6.215 11.043) 12.672 16.816 ( 0.000 -19.168 -6.850) 20.355 17.994 ( 0.000 -1.157 21.323) 21.354 18.391 ( 0.000 -10.523 3.105) 10.972 18.404 ( 0.000 -6.537 19.152) 20.237 18.692 ( 0.000 -11.477 -1.658) 11.596 33.661 ( 0.000 6.249 0.073) 6.249 34.076 ( 0.000 6.606 7.825) 10.241 34.168 ( 0.000 -2.245 -4.985) 5.467 34.332 ( 0.000 8.544 1.964) 8.767 35.404 ( 0.000 16.274 -1.201) 16.318 35.928 ( 0.000 7.197 -7.492) 10.389 36.521 ( 0.000 -4.967 2.630) 5.620 36.616 ( 0.000 -3.906 1.985) 4.381 72.864 ( 0.000 -8.535 3.643) 9.280 72.936 ( 0.000 -7.033 -0.009) 7.033 74.423 ( 0.000 -26.815 33.844) 43.179 74.854 ( 0.000 -46.986 50.105) 68.689 ======================= Grid point 191 (68/162) ======================= q-point: ( 0.20 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 1.586 24.859 12.966) 28.082 3.409 ( 7.770 22.449 12.290) 26.746 3.932 ( -10.289 14.198 7.367) 19.018 4.351 ( -9.256 7.700 4.624) 12.897 5.011 ( 6.512 4.815 1.029) 8.164 5.425 ( -1.439 1.663 6.597) 6.954 5.902 ( 9.413 40.530 7.480) 42.276 6.158 ( 6.089 -1.609 5.129) 8.122 6.865 ( -6.981 22.075 -2.882) 23.331 7.100 ( -1.020 24.152 -5.867) 24.875 7.627 ( -0.894 25.772 0.971) 25.805 7.775 ( -0.222 19.297 -4.658) 19.852 8.961 ( 1.199 -0.003 7.182) 7.281 9.206 ( 1.484 1.424 -2.693) 3.389 9.417 ( -9.732 2.709 10.684) 14.704 9.758 ( -2.016 3.920 12.674) 13.418 10.710 ( 7.332 9.445 -0.353) 11.961 11.060 ( 8.284 -7.514 7.518) 13.476 11.247 ( -5.189 13.904 -2.111) 14.990 11.797 ( -9.968 0.259 -3.792) 10.668 12.151 ( 5.475 19.782 -6.623) 21.567 12.240 ( 3.589 -1.602 -2.319) 4.563 12.849 ( -3.305 11.634 -11.361) 16.593 12.952 ( -0.491 10.366 -2.854) 10.763 14.124 ( 8.776 2.499 -2.896) 9.574 14.783 ( -6.429 -0.029 -4.778) 8.010 15.141 ( 2.085 19.575 -3.936) 20.075 15.410 ( -4.463 19.433 -8.709) 21.758 15.654 ( 6.145 14.971 -10.301) 19.183 15.996 ( -4.169 4.802 -20.514) 21.477 16.159 ( 4.457 -7.262 9.472) 12.740 16.742 ( -7.092 -17.410 -4.618) 19.358 18.034 ( 3.605 -2.131 20.575) 20.997 18.305 ( -4.309 -6.250 14.047) 15.967 18.494 ( 4.570 -10.399 7.852) 13.808 18.681 ( -1.123 -11.449 -1.113) 11.558 33.698 ( 3.548 6.283 0.280) 7.220 34.035 ( -3.934 5.836 4.462) 8.333 34.179 ( 0.929 -0.051 -1.529) 1.790 34.299 ( -2.701 7.285 2.466) 8.152 35.480 ( 6.801 14.777 -2.586) 16.471 35.895 ( -3.256 7.747 -7.297) 11.129 36.530 ( 0.887 -4.894 2.556) 5.592 36.607 ( -0.844 -4.042 2.039) 4.606 72.863 ( -0.004 -7.994 3.169) 8.600 72.924 ( -1.107 -7.058 0.115) 7.145 74.472 ( 4.584 -28.858 35.058) 45.638 74.820 ( -3.263 -45.055 48.088) 65.978 ======================= Grid point 192 (69/162) ======================= q-point: ( 0.40 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 7.692 24.055 8.497) 26.646 3.461 ( -6.119 20.162 7.190) 22.263 3.854 ( 6.910 15.540 13.760) 21.877 4.099 ( -13.946 10.982 12.132) 21.501 5.174 ( 8.658 2.673 -0.337) 9.068 5.338 ( -6.748 1.077 1.101) 6.921 6.134 ( 11.231 25.662 5.550) 28.556 6.262 ( 0.684 11.270 6.988) 13.278 6.790 ( 2.129 22.537 0.433) 22.642 6.958 ( -10.965 26.790 -0.820) 28.959 7.669 ( 4.166 23.940 -2.702) 24.449 7.747 ( -2.762 21.656 -4.906) 22.376 9.004 ( 3.462 -0.792 6.748) 7.626 9.117 ( -7.457 -1.100 6.774) 10.134 9.423 ( 7.940 5.066 1.876) 9.603 9.619 ( -9.779 4.627 6.627) 12.687 10.901 ( 10.018 9.971 2.894) 14.427 11.083 ( -7.228 11.184 3.186) 13.692 11.311 ( 11.757 -5.947 5.706) 14.358 11.563 ( -12.345 -2.936 1.375) 12.763 12.237 ( 3.688 15.592 -14.180) 21.396 12.292 ( -0.386 9.104 -6.618) 11.262 12.829 ( 1.990 8.908 -7.336) 11.710 12.903 ( -3.910 8.528 -3.089) 9.877 14.353 ( 12.676 1.880 -4.387) 13.545 14.603 ( -11.025 1.218 -5.089) 12.204 15.203 ( 4.246 19.874 -5.885) 21.158 15.308 ( -5.515 20.161 -7.808) 22.313 15.778 ( 5.942 10.701 -12.148) 17.245 15.895 ( -5.475 7.607 -15.329) 17.967 16.313 ( 10.288 -9.794 5.201) 15.126 16.545 ( -11.456 -13.621 0.136) 17.799 18.124 ( 4.746 -3.616 19.141) 20.049 18.218 ( -4.378 -4.671 17.139) 18.295 18.580 ( 3.759 -11.251 3.757) 12.443 18.644 ( -2.483 -11.404 0.660) 11.689 33.797 ( 5.928 6.379 0.855) 8.750 33.926 ( -6.295 6.196 1.855) 9.026 34.205 ( 1.593 2.352 1.476) 3.202 34.245 ( -2.346 4.548 2.519) 5.704 35.643 ( 8.310 11.881 -4.952) 15.321 35.796 ( -6.350 9.353 -6.562) 13.071 36.555 ( 1.407 -4.681 2.379) 5.436 36.584 ( -1.381 -4.360 2.185) 5.069 72.870 ( 0.827 -7.237 1.981) 7.549 72.895 ( -1.496 -7.019 0.765) 7.217 74.592 ( 6.686 -33.974 38.473) 51.760 74.725 ( -5.890 -40.088 43.377) 59.358 ======================= Grid point 195 (70/162) ======================= q-point: ( 0.00 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( 0.000 20.301 8.738) 22.102 3.859 ( 0.000 27.357 5.572) 27.919 4.310 ( 0.000 12.701 4.746) 13.559 4.582 ( 0.000 7.047 -3.387) 7.818 5.004 ( 0.000 1.389 2.256) 2.649 5.411 ( 0.000 -3.442 9.457) 10.064 5.915 ( 0.000 -9.600 1.901) 9.786 6.435 ( 0.000 10.790 6.651) 12.675 7.193 ( 0.000 18.110 3.342) 18.416 7.722 ( 0.000 34.136 -13.091) 36.560 8.144 ( 0.000 20.764 -8.323) 22.370 8.245 ( 0.000 23.938 -4.473) 24.353 8.992 ( 0.000 5.215 1.060) 5.321 9.232 ( 0.000 3.943 -2.545) 4.693 9.627 ( 0.000 1.835 22.077) 22.153 9.854 ( 0.000 9.855 7.673) 12.490 10.761 ( 0.000 2.693 4.219) 5.005 10.767 ( 0.000 -9.024 8.536) 12.422 11.665 ( 0.000 16.697 -7.437) 18.278 11.785 ( 0.000 -10.998 1.776) 11.141 12.055 ( 0.000 -5.952 0.080) 5.952 12.507 ( 0.000 19.172 -9.965) 21.607 13.159 ( 0.000 9.541 0.880) 9.582 13.216 ( 0.000 17.104 -14.424) 22.374 14.101 ( 0.000 4.831 0.626) 4.871 14.849 ( 0.000 2.322 -1.060) 2.552 15.479 ( 0.000 15.889 -5.091) 16.685 15.741 ( 0.000 10.946 -12.661) 16.737 15.913 ( 0.000 13.587 -8.495) 16.024 16.020 ( 0.000 -3.118 10.366) 10.825 16.114 ( 0.000 3.312 -23.144) 23.380 16.420 ( 0.000 -20.434 -1.421) 20.484 17.976 ( 0.000 -0.938 20.021) 20.043 18.194 ( 0.000 -9.138 3.390) 9.747 18.291 ( 0.000 -5.205 17.331) 18.096 18.465 ( 0.000 -11.261 -1.408) 11.349 33.768 ( 0.000 5.048 -1.513) 5.270 34.123 ( 0.000 -1.683 -3.855) 4.206 34.215 ( 0.000 6.630 8.498) 10.778 34.470 ( 0.000 4.742 3.960) 6.178 35.714 ( 0.000 14.891 -0.809) 14.913 36.054 ( 0.000 5.384 -6.327) 8.308 36.439 ( 0.000 -3.180 3.688) 4.870 36.568 ( 0.000 -0.967 2.763) 2.927 72.734 ( 0.000 -4.645 4.719) 6.621 72.817 ( 0.000 -4.819 2.349) 5.361 73.922 ( 0.000 -23.479 27.665) 36.285 74.080 ( 0.000 -32.271 36.657) 48.838 ======================= Grid point 196 (71/162) ======================= q-point: ( 0.20 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( 3.686 21.088 7.497) 22.682 3.885 ( 2.143 25.037 5.972) 25.829 4.224 ( -6.712 14.855 4.518) 16.916 4.497 ( -7.626 7.309 2.213) 10.793 5.065 ( 5.254 1.195 0.173) 5.391 5.392 ( -2.373 -3.991 5.683) 7.339 5.989 ( 7.059 -8.721 4.381) 12.045 6.444 ( -0.539 3.738 6.852) 7.823 7.209 ( 3.224 25.621 1.459) 25.864 7.745 ( -0.159 33.898 -13.043) 36.321 8.129 ( -0.455 22.742 -6.412) 23.633 8.247 ( 0.131 23.589 -4.968) 24.107 8.987 ( 0.011 3.551 1.944) 4.049 9.245 ( -0.372 3.941 -0.356) 3.974 9.491 ( -7.079 4.367 13.243) 15.638 9.857 ( -3.655 6.322 10.728) 12.978 10.800 ( 7.758 -1.271 7.834) 11.098 10.920 ( 10.364 -4.567 5.934) 12.786 11.499 ( -11.486 10.694 -0.805) 15.714 11.686 ( -9.101 -9.488 1.538) 13.237 12.216 ( 10.615 -0.242 -5.875) 12.135 12.558 ( 4.096 19.446 -8.142) 21.476 13.072 ( -5.980 8.684 -5.288) 11.796 13.210 ( -1.960 15.351 -8.662) 17.735 14.191 ( 8.306 4.720 -0.410) 9.562 14.799 ( -4.976 2.886 -1.645) 5.983 15.494 ( 1.549 15.367 -6.430) 16.730 15.731 ( -1.875 12.854 -10.807) 16.898 15.912 ( 0.620 8.956 -11.383) 14.497 16.045 ( 2.774 -1.996 6.640) 7.468 16.092 ( -1.808 3.774 -17.050) 17.556 16.383 ( -3.755 -18.229 0.000) 18.611 18.000 ( 2.340 -1.563 19.314) 19.518 18.182 ( -1.393 -6.419 9.287) 11.375 18.312 ( 2.119 -7.754 11.136) 13.734 18.455 ( -0.996 -11.151 -0.818) 11.225 33.802 ( 3.217 4.749 -1.398) 5.903 34.088 ( -3.193 0.250 -1.987) 3.769 34.235 ( 1.750 5.170 6.473) 8.466 34.429 ( -3.525 4.884 4.334) 7.421 35.764 ( 4.496 13.722 -1.584) 14.527 36.034 ( -1.955 6.186 -5.942) 8.797 36.450 ( 1.038 -3.121 3.555) 4.843 36.554 ( -1.290 -1.303 2.822) 3.366 72.738 ( 0.472 -4.518 4.432) 6.347 72.806 ( -0.994 -4.714 2.496) 5.426 73.942 ( 1.859 -24.478 28.414) 37.550 74.070 ( -0.983 -31.578 35.619) 47.611 ======================= Grid point 197 (72/162) ======================= q-point: ( 0.40 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.749 ( 6.490 22.135 4.987) 23.600 3.880 ( -4.622 21.977 4.104) 22.830 4.159 ( 3.235 15.311 8.040) 17.594 4.311 ( -9.565 10.700 7.664) 16.270 5.188 ( 6.313 -0.753 -0.582) 6.384 5.310 ( -5.373 -3.090 1.200) 6.313 6.175 ( 10.203 -7.834 6.853) 14.575 6.364 ( -7.340 -5.371 7.353) 11.696 7.370 ( 11.881 33.986 -2.984) 36.127 7.626 ( -11.123 34.845 -8.727) 37.604 8.172 ( 3.994 24.451 -6.304) 25.565 8.237 ( -1.680 24.426 -6.152) 25.244 9.016 ( 3.500 2.415 4.095) 5.903 9.138 ( -7.840 3.624 6.194) 10.629 9.508 ( 7.320 4.077 4.177) 9.362 9.700 ( -10.076 4.214 7.154) 13.056 11.022 ( 12.236 1.875 8.709) 15.135 11.167 ( 13.119 -6.963 5.445) 15.819 11.267 ( -11.039 6.625 4.469) 13.628 11.449 ( -13.306 -7.466 3.306) 15.612 12.416 ( 9.275 6.099 -8.975) 14.275 12.577 ( -4.550 14.816 -7.614) 17.269 13.020 ( 2.779 9.249 -7.148) 12.015 13.128 ( -5.720 13.385 -7.292) 16.281 14.408 ( 11.994 4.226 -1.990) 12.871 14.643 ( -10.174 3.598 -2.409) 11.057 15.550 ( 4.020 14.573 -8.962) 17.574 15.649 ( -5.251 13.620 -10.256) 17.840 15.964 ( 3.859 7.558 -13.268) 15.749 16.039 ( -3.121 6.797 -14.872) 16.647 16.138 ( 5.801 -7.268 6.959) 11.615 16.272 ( -6.667 -13.455 3.531) 15.425 18.064 ( 3.602 -2.701 17.796) 18.357 18.135 ( -3.107 -3.910 15.253) 16.050 18.368 ( 2.997 -10.006 4.326) 11.306 18.423 ( -2.216 -10.803 0.944) 11.069 33.891 ( 5.243 3.863 -1.155) 6.614 34.001 ( -5.145 2.360 -1.095) 5.765 34.281 ( 2.768 4.479 5.259) 7.442 34.349 ( -3.846 4.736 4.883) 7.814 35.872 ( 5.535 11.135 -3.240) 12.850 35.973 ( -4.063 8.335 -4.848) 10.463 36.480 ( 1.803 -2.804 3.265) 4.666 36.519 ( -1.965 -2.092 2.995) 4.149 72.754 ( 1.073 -4.379 3.730) 5.852 72.780 ( -1.393 -4.485 2.981) 5.562 73.990 ( 2.594 -26.919 30.425) 40.707 74.039 ( -2.057 -29.623 33.136) 44.495 ======================= Grid point 200 (73/162) ======================= q-point: ( 0.00 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.998 ( 0.000 19.560 0.937) 19.583 4.371 ( 0.000 24.023 3.314) 24.250 4.554 ( 0.000 11.395 1.688) 11.519 4.718 ( 0.000 6.898 -3.706) 7.830 5.019 ( 0.000 0.561 1.424) 1.531 5.314 ( 0.000 -5.993 4.449) 7.464 5.713 ( 0.000 -10.884 2.448) 11.156 6.349 ( 0.000 -12.574 6.270) 14.050 7.690 ( 0.000 25.533 -0.630) 25.541 8.297 ( 0.000 21.168 -12.610) 24.640 8.455 ( 0.000 13.022 -10.535) 16.750 8.597 ( 0.000 11.840 6.389) 13.454 9.197 ( 0.000 14.629 -11.378) 18.533 9.359 ( 0.000 8.547 -2.395) 8.876 9.697 ( 0.000 4.988 20.716) 21.308 10.052 ( 0.000 9.272 6.555) 11.355 10.616 ( 0.000 -6.149 8.967) 10.873 10.756 ( 0.000 -2.928 8.773) 9.249 11.550 ( 0.000 -11.272 5.931) 12.737 11.944 ( 0.000 -5.312 -4.639) 7.052 11.985 ( 0.000 15.761 -8.244) 17.787 12.796 ( 0.000 8.993 -9.986) 13.438 13.325 ( 0.000 8.486 1.827) 8.681 13.528 ( 0.000 13.581 -11.518) 17.808 14.225 ( 0.000 7.752 2.562) 8.164 14.963 ( 0.000 8.932 0.073) 8.932 15.706 ( 0.000 3.845 -9.005) 9.792 15.911 ( 0.000 6.167 -14.121) 15.409 15.913 ( 0.000 -5.603 9.433) 10.971 16.008 ( 0.000 -12.050 -3.275) 12.487 16.181 ( 0.000 3.794 -19.388) 19.755 16.197 ( 0.000 6.882 -1.369) 7.016 17.951 ( 0.000 -1.611 17.660) 17.733 18.036 ( 0.000 -6.715 4.021) 7.827 18.193 ( 0.000 -4.736 15.474) 16.182 18.256 ( 0.000 -9.545 0.341) 9.551 33.870 ( 0.000 5.426 -1.731) 5.696 34.107 ( 0.000 0.013 -2.726) 2.726 34.319 ( 0.000 3.688 7.390) 8.259 34.515 ( 0.000 -0.040 4.642) 4.642 35.984 ( 0.000 12.245 -0.290) 12.248 36.143 ( 0.000 3.847 -4.956) 6.274 36.398 ( 0.000 -0.965 4.311) 4.418 36.569 ( 0.000 0.650 3.540) 3.600 72.680 ( 0.000 -0.875 6.373) 6.433 72.750 ( 0.000 -1.812 5.014) 5.331 73.503 ( 0.000 -18.836 22.277) 29.173 73.549 ( 0.000 -22.066 26.985) 34.858 ======================= Grid point 201 (74/162) ======================= q-point: ( 0.20 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( 4.133 19.447 1.036) 19.909 4.369 ( -0.434 23.242 3.411) 23.495 4.502 ( -4.319 12.825 1.648) 13.632 4.648 ( -5.567 8.303 -0.125) 9.997 5.069 ( 3.890 -0.673 -0.805) 4.029 5.292 ( -2.113 -5.773 2.644) 6.692 5.790 ( 7.090 -11.114 3.886) 13.744 6.302 ( -4.649 -13.053 6.392) 15.260 7.768 ( 7.594 26.260 -2.284) 27.432 8.334 ( 1.273 23.822 -11.999) 26.704 8.461 ( 1.347 11.508 -10.949) 15.941 8.624 ( 2.502 14.381 3.741) 15.069 9.136 ( -3.954 11.464 -6.216) 13.627 9.384 ( 0.378 9.584 -2.248) 9.851 9.587 ( -6.817 5.487 14.378) 16.832 9.997 ( -6.987 7.107 8.202) 12.908 10.704 ( 9.677 -5.753 10.352) 15.294 10.861 ( 8.600 -3.542 8.490) 12.594 11.471 ( -7.376 -10.441 7.351) 14.746 11.651 ( -14.726 3.625 -2.791) 15.420 12.270 ( 13.931 6.342 -8.926) 17.719 12.871 ( 6.211 11.106 -8.746) 15.441 13.203 ( -9.562 6.267 -1.572) 11.541 13.497 ( -3.718 12.312 -9.468) 15.970 14.317 ( 8.307 8.016 1.122) 11.598 14.915 ( -4.902 8.645 -0.509) 9.951 15.704 ( 0.090 2.311 -10.067) 10.330 15.872 ( -4.057 -2.147 -0.957) 4.689 15.936 ( 2.273 -0.627 -4.803) 5.351 16.024 ( 2.740 -4.215 -4.368) 6.660 16.172 ( -1.768 2.441 -6.161) 6.859 16.198 ( -0.099 6.635 -10.087) 12.073 17.965 ( 1.482 -2.058 16.612) 16.805 18.055 ( 1.288 -6.019 6.205) 8.740 18.185 ( -0.499 -5.430 13.371) 14.440 18.249 ( -0.726 -9.392 1.064) 9.480 33.898 ( 2.629 5.150 -1.536) 5.983 34.096 ( -1.288 0.885 -2.111) 2.626 34.322 ( 0.466 3.006 6.573) 7.243 34.480 ( -3.145 0.256 4.610) 5.586 36.016 ( 2.761 11.533 -0.628) 11.876 36.140 ( -0.400 4.633 -4.438) 6.428 36.408 ( 1.064 -1.111 4.125) 4.402 36.549 ( -1.904 0.385 3.550) 4.047 72.685 ( 0.514 -0.902 6.225) 6.311 72.742 ( -0.762 -1.668 5.125) 5.443 73.509 ( 0.628 -19.246 22.704) 29.770 73.547 ( -0.178 -21.858 26.447) 34.311 ======================= Grid point 202 (75/162) ======================= q-point: ( 0.40 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.158 ( 6.984 19.275 1.125) 20.532 4.305 ( -6.450 19.937 1.469) 21.006 4.458 ( 1.476 15.168 3.849) 15.719 4.532 ( -5.147 12.030 3.400) 13.520 5.153 ( 4.133 -2.743 -1.679) 5.237 5.232 ( -3.551 -4.550 -0.131) 5.773 5.971 ( 9.821 -12.114 5.643) 16.585 6.164 ( -8.545 -13.083 6.387) 16.881 7.983 ( 12.621 26.482 -6.080) 29.959 8.233 ( -10.303 25.472 -9.865) 29.194 8.558 ( 6.565 13.799 -9.724) 18.113 8.654 ( -1.391 17.200 -4.498) 17.833 9.117 ( 3.646 8.167 1.756) 9.115 9.270 ( -9.472 9.563 5.644) 14.596 9.596 ( 6.961 4.849 4.069) 9.409 9.794 ( -11.206 5.042 6.257) 13.789 10.965 ( 13.933 -6.062 12.196) 19.484 11.063 ( 9.865 -4.119 7.212) 12.895 11.277 ( -10.139 -7.311 8.928) 15.361 11.363 ( -13.346 0.537 1.088) 13.401 12.548 ( 13.904 8.006 -7.677) 17.786 12.833 ( -12.464 11.709 -4.659) 17.724 13.172 ( 8.812 5.557 -8.698) 13.572 13.368 ( -8.635 9.660 -8.968) 15.757 14.529 ( 11.647 8.066 -0.837) 14.192 14.759 ( -10.065 8.127 -1.348) 13.006 15.722 ( 1.860 -0.663 -9.740) 9.938 15.783 ( -3.983 -1.935 -6.793) 8.109 16.006 ( 4.536 -1.064 -0.515) 4.688 16.097 ( 0.351 0.638 -0.390) 0.827 16.111 ( -0.677 3.679 -7.906) 8.746 16.174 ( -2.374 5.970 -8.962) 11.027 18.010 ( 2.662 -2.789 15.219) 15.700 18.057 ( -1.451 -3.938 12.274) 12.972 18.191 ( 1.350 -7.711 6.604) 10.242 18.226 ( -1.596 -8.929 2.768) 9.483 33.970 ( 4.053 4.305 -1.145) 6.023 34.049 ( -3.317 2.788 -1.180) 4.491 34.346 ( 2.077 1.671 5.169) 5.816 34.406 ( -3.596 0.823 4.634) 5.923 36.078 ( 2.886 9.548 -1.656) 10.111 36.123 ( -1.436 6.814 -3.136) 7.637 36.443 ( 2.302 -1.064 3.795) 4.565 36.498 ( -2.857 -0.350 3.609) 4.616 72.700 ( 0.959 -1.042 5.857) 6.025 72.722 ( -1.111 -1.340 5.436) 5.708 73.525 ( 0.824 -20.215 23.789) 31.229 73.540 ( -0.547 -21.212 25.181) 32.929 ======================= Grid point 205 (76/162) ======================= q-point: ( 0.00 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.377 ( 0.000 18.612 -3.908) 19.018 4.738 ( 0.000 9.546 -2.662) 9.910 4.743 ( 0.000 7.427 -1.763) 7.634 4.917 ( 0.000 16.654 0.168) 16.654 5.038 ( 0.000 1.662 1.469) 2.218 5.184 ( 0.000 -7.098 -0.620) 7.125 5.485 ( 0.000 -11.838 3.325) 12.296 6.051 ( 0.000 -16.696 5.456) 17.565 8.102 ( 0.000 15.813 -1.874) 15.924 8.468 ( 0.000 1.396 -8.655) 8.767 8.768 ( 0.000 14.120 -6.126) 15.392 8.785 ( 0.000 8.331 10.441) 13.358 9.478 ( 0.000 11.969 -18.311) 21.876 9.531 ( 0.000 7.901 -8.625) 11.697 9.820 ( 0.000 7.441 17.310) 18.842 10.179 ( 0.000 2.587 6.913) 7.381 10.525 ( 0.000 -3.217 9.624) 10.147 10.663 ( 0.000 -5.868 10.491) 12.020 11.402 ( 0.000 -2.324 5.540) 6.008 11.827 ( 0.000 -7.025 -4.295) 8.234 12.288 ( 0.000 14.710 -7.864) 16.680 12.856 ( 0.000 -1.958 -9.584) 9.782 13.522 ( 0.000 10.900 1.178) 10.963 13.733 ( 0.000 6.904 -8.297) 10.794 14.410 ( 0.000 11.143 3.745) 11.756 15.179 ( 0.000 12.264 1.077) 12.311 15.459 ( 0.000 -20.858 -0.155) 20.858 15.808 ( 0.000 -6.693 7.450) 10.015 15.972 ( 0.000 3.699 -7.844) 8.672 15.992 ( 0.000 2.554 -15.416) 15.626 16.264 ( 0.000 4.236 -14.433) 15.042 16.318 ( 0.000 4.182 -6.035) 7.342 17.914 ( 0.000 -2.040 14.607) 14.749 17.931 ( 0.000 -3.952 5.246) 6.568 18.101 ( 0.000 -5.877 3.752) 6.972 18.105 ( 0.000 -4.019 13.401) 13.991 33.981 ( 0.000 5.612 -1.554) 5.823 34.119 ( 0.000 0.886 -1.840) 2.042 34.362 ( 0.000 0.961 5.931) 6.008 34.479 ( 0.000 -3.174 4.504) 5.510 36.185 ( 0.000 7.600 0.143) 7.601 36.211 ( 0.000 3.038 -3.066) 4.316 36.403 ( 0.000 1.648 4.338) 4.641 36.575 ( 0.000 -0.430 3.894) 3.917 72.697 ( 0.000 2.623 8.528) 8.922 72.747 ( 0.000 1.497 7.957) 8.097 73.178 ( 0.000 -14.065 17.789) 22.678 73.189 ( 0.000 -14.676 20.122) 24.905 ======================= Grid point 206 (77/162) ======================= q-point: ( 0.20 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.412 ( 3.364 17.857 -3.643) 18.533 4.705 ( -3.017 8.704 -1.505) 9.335 4.749 ( 0.455 11.442 -1.119) 11.505 4.883 ( -3.031 17.726 1.000) 18.011 5.043 ( 0.824 -1.770 -0.981) 2.185 5.175 ( -1.137 -5.833 -0.337) 5.952 5.553 ( 6.150 -12.675 3.540) 14.526 6.004 ( -4.530 -16.501 5.437) 17.955 8.186 ( 7.918 15.949 -3.321) 18.113 8.543 ( 6.980 2.025 -8.707) 11.342 8.736 ( -2.484 12.967 -2.931) 13.524 8.862 ( 5.088 10.045 2.679) 11.575 9.383 ( -6.101 11.953 -12.253) 18.173 9.568 ( 1.597 7.465 -9.000) 11.802 9.718 ( -7.822 7.980 13.407) 17.453 10.097 ( -8.615 1.904 7.195) 11.385 10.613 ( 9.423 -3.145 10.583) 14.516 10.764 ( 8.432 -5.878 10.770) 14.888 11.321 ( -7.435 -3.398 7.075) 10.811 11.645 ( -14.142 -3.998 -0.653) 14.711 12.455 ( 12.654 11.499 -8.995) 19.320 12.963 ( 9.822 -1.107 -9.433) 13.663 13.376 ( -12.599 10.842 -0.926) 16.647 13.672 ( -6.183 5.173 -7.618) 11.092 14.507 ( 8.584 11.257 2.241) 14.332 15.122 ( -5.641 11.780 0.482) 13.069 15.474 ( 1.553 -18.696 -0.443) 18.766 15.758 ( -4.663 -7.604 4.532) 10.005 15.983 ( 2.556 4.625 -9.481) 10.854 16.062 ( 5.178 2.449 -10.752) 12.182 16.252 ( -1.595 4.359 -12.272) 13.121 16.309 ( -1.051 3.919 -6.644) 7.785 17.921 ( 1.126 -2.146 12.476) 12.709 17.956 ( 1.888 -3.891 7.551) 8.702 18.088 ( -1.215 -4.637 9.056) 10.246 18.098 ( -0.693 -5.433 7.830) 9.555 34.005 ( 2.232 5.499 -1.227) 6.060 34.123 ( 0.263 1.702 -1.356) 2.192 34.351 ( -0.856 0.201 5.213) 5.287 34.449 ( -2.740 -3.022 4.146) 5.816 36.209 ( 1.977 7.402 0.122) 7.662 36.223 ( 1.063 3.998 -2.399) 4.782 36.404 ( 0.309 0.778 4.057) 4.142 36.552 ( -2.199 -0.463 3.789) 4.405 72.701 ( 0.407 2.560 8.468) 8.855 72.742 ( -0.490 1.652 8.005) 8.189 73.180 ( 0.179 -14.192 18.049) 22.961 73.189 ( 0.001 -14.683 19.823) 24.669 ======================= Grid point 207 (78/162) ======================= q-point: ( 0.40 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.505 ( 5.453 15.543 -2.929) 16.730 4.619 ( -5.248 11.981 -1.917) 13.220 4.767 ( 1.526 14.707 1.217) 14.836 4.815 ( -3.098 17.483 1.960) 17.863 5.079 ( 2.575 -4.651 -2.576) 5.908 5.135 ( -2.592 -5.047 -1.424) 5.850 5.709 ( 8.432 -14.256 4.376) 17.131 5.876 ( -7.596 -15.693 5.148) 18.179 8.399 ( 11.953 15.837 -6.269) 20.809 8.624 ( -8.879 14.682 -7.004) 18.533 8.728 ( 10.203 4.217 -8.809) 14.124 8.898 ( -4.087 7.285 -5.660) 10.090 9.334 ( 3.713 12.789 -1.124) 13.364 9.491 ( -9.150 11.941 4.691) 15.758 9.685 ( 6.121 3.357 0.893) 7.038 9.875 ( -11.466 2.336 4.725) 12.619 10.856 ( 12.650 -4.097 11.396) 17.512 10.977 ( 10.501 -4.486 9.975) 15.163 11.136 ( -8.035 -5.653 9.092) 13.386 11.326 ( -16.217 -4.439 5.159) 17.588 12.741 ( 15.170 11.229 -7.725) 20.393 13.064 ( -15.565 11.877 -4.489) 20.086 13.222 ( 13.068 -0.642 -9.071) 15.920 13.486 ( -11.625 2.068 -8.424) 14.505 14.721 ( 11.598 11.130 0.266) 16.077 14.953 ( -10.478 11.136 -0.332) 15.294 15.532 ( 4.258 -14.116 -0.294) 14.747 15.641 ( -6.098 -9.993 1.158) 11.764 16.074 ( 5.735 5.240 -8.369) 11.418 16.175 ( 4.904 3.069 -7.841) 9.744 16.188 ( -4.172 4.576 -9.895) 11.673 16.267 ( -3.238 3.256 -7.634) 8.909 17.958 ( 2.140 -2.232 11.926) 12.321 17.985 ( 0.214 -3.116 9.763) 10.250 18.064 ( -0.465 -5.221 8.536) 10.017 18.078 ( -1.195 -5.902 6.528) 8.881 34.063 ( 3.139 5.105 -0.514) 6.015 34.115 ( -1.482 3.819 -0.415) 4.118 34.345 ( 0.678 -1.697 3.778) 4.197 34.385 ( -2.995 -2.711 3.516) 5.355 36.242 ( 1.067 5.710 -0.840) 5.869 36.248 ( 0.756 7.122 -0.344) 7.170 36.428 ( 2.302 -0.685 3.587) 4.317 36.492 ( -3.436 -0.641 3.568) 4.995 72.713 ( 0.700 2.353 8.315) 8.670 72.728 ( -0.751 2.008 8.139) 8.416 73.184 ( 0.237 -14.452 18.595) 23.551 73.188 ( -0.126 -14.639 19.214) 24.156 ======================= Grid point 210 (79/162) ======================= q-point: ( 0.00 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.722 ( 0.000 15.406 -6.200) 16.607 4.828 ( 0.000 1.557 -5.586) 5.799 4.844 ( 0.000 3.394 -4.913) 5.972 5.017 ( 0.000 -10.571 -5.211) 11.786 5.096 ( 0.000 4.435 2.674) 5.179 5.204 ( 0.000 -1.676 -0.222) 1.691 5.356 ( 0.000 11.649 7.452) 13.828 5.704 ( 0.000 -18.288 4.985) 18.955 8.333 ( 0.000 8.192 -1.239) 8.285 8.445 ( 0.000 -3.405 -3.347) 4.774 8.921 ( 0.000 4.707 6.601) 8.108 8.941 ( 0.000 3.411 0.189) 3.416 9.639 ( 0.000 4.135 -19.537) 19.970 9.645 ( 0.000 3.154 -15.939) 16.248 9.985 ( 0.000 8.799 13.354) 15.992 10.141 ( 0.000 -5.951 9.728) 11.404 10.493 ( 0.000 0.515 10.195) 10.208 10.550 ( 0.000 -4.878 10.620) 11.687 11.469 ( 0.000 8.017 2.337) 8.351 11.658 ( 0.000 -9.826 -1.351) 9.919 12.555 ( 0.000 12.041 -7.825) 14.360 12.754 ( 0.000 -7.877 -8.400) 11.516 13.714 ( 0.000 7.544 -1.764) 7.748 13.796 ( 0.000 -0.526 -5.082) 5.109 14.677 ( 0.000 16.092 4.268) 16.649 15.042 ( 0.000 -20.388 3.425) 20.674 15.424 ( 0.000 12.069 2.831) 12.396 15.643 ( 0.000 -9.862 4.993) 11.054 16.024 ( 0.000 1.223 -11.460) 11.525 16.025 ( 0.000 0.892 -14.299) 14.327 16.335 ( 0.000 2.660 -11.131) 11.444 16.361 ( 0.000 0.243 -8.633) 8.637 17.880 ( 0.000 -1.230 7.570) 7.670 17.880 ( 0.000 -1.099 11.069) 11.123 18.030 ( 0.000 -1.309 7.758) 7.868 18.041 ( 0.000 -2.155 10.930) 11.141 34.081 ( 0.000 4.088 -1.400) 4.321 34.127 ( 0.000 -0.534 -1.417) 1.514 34.373 ( 0.000 0.733 4.889) 4.944 34.411 ( 0.000 -3.114 4.427) 5.412 36.260 ( 0.000 1.722 -1.147) 2.069 36.269 ( 0.000 1.220 0.099) 1.224 36.467 ( 0.000 4.339 3.945) 5.864 36.543 ( 0.000 -2.860 3.906) 4.841 72.782 ( 0.000 5.887 11.147) 12.606 72.810 ( 0.000 4.754 11.301) 12.260 72.944 ( 0.000 -9.477 14.059) 16.955 72.956 ( 0.000 -9.073 15.066) 17.587 ======================= Grid point 211 (80/162) ======================= q-point: ( 0.20 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.728 ( 0.950 13.054 -6.006) 14.401 4.841 ( -0.370 4.503 -4.818) 6.605 4.876 ( 3.867 1.971 -5.180) 6.758 4.986 ( -2.055 -5.503 -4.400) 7.340 5.108 ( 0.187 3.070 2.055) 3.699 5.229 ( 1.554 5.127 0.399) 5.373 5.342 ( -0.157 1.996 6.819) 7.107 5.661 ( -4.036 -18.026 4.806) 19.087 8.419 ( 8.067 8.235 -2.659) 11.831 8.529 ( 7.890 -3.117 -4.386) 9.550 8.925 ( -0.353 6.445 1.246) 6.574 8.980 ( 2.350 1.364 0.412) 2.748 9.576 ( -3.726 7.108 -14.591) 16.652 9.647 ( -0.291 0.220 -13.487) 13.492 9.894 ( -7.473 9.178 10.345) 15.720 10.052 ( -7.957 -6.003 8.139) 12.869 10.589 ( 8.975 0.887 11.091) 14.295 10.650 ( 8.623 -4.992 11.436) 15.168 11.357 ( -10.113 6.298 4.829) 12.855 11.515 ( -12.532 -8.333 1.883) 15.167 12.686 ( 11.372 11.117 -8.517) 18.040 12.873 ( 10.762 -7.370 -8.701) 15.680 13.582 ( -11.701 8.868 -3.183) 15.023 13.698 ( -9.167 -2.486 -5.554) 11.003 14.766 ( 7.845 14.988 3.163) 17.210 15.098 ( 5.221 -18.373 2.884) 19.317 15.361 ( -6.168 11.885 2.002) 13.539 15.581 ( -5.864 -10.207 3.652) 12.325 16.056 ( 3.757 2.608 -11.815) 12.669 16.084 ( 4.762 -0.188 -11.365) 12.324 16.324 ( -1.355 2.643 -10.547) 10.957 16.349 ( -1.303 0.255 -8.485) 8.589 17.892 ( 1.413 -0.628 9.505) 9.630 17.901 ( 1.724 -1.646 9.191) 9.495 18.020 ( -1.032 -1.497 7.748) 7.958 18.028 ( -1.267 -2.108 10.858) 11.133 34.105 ( 2.233 4.138 -0.937) 4.794 34.147 ( 1.840 0.042 -0.923) 2.059 34.348 ( -2.353 0.155 4.176) 4.796 34.381 ( -2.730 -3.137 3.820) 5.647 36.281 ( 1.985 2.250 -0.539) 3.048 36.298 ( 2.662 1.051 0.465) 2.900 36.451 ( -1.534 3.796 3.593) 5.447 36.521 ( -2.098 -2.713 3.648) 5.006 72.785 ( 0.311 5.888 11.142) 12.606 72.808 ( -0.173 5.014 11.256) 12.323 72.945 ( 0.052 -9.586 14.191) 17.126 72.955 ( -0.134 -9.236 14.963) 17.584 ======================= Grid point 212 (81/162) ======================= q-point: ( 0.40 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.766 ( 2.567 10.843 -5.204) 12.298 4.818 ( -2.076 8.536 -4.572) 9.903 4.944 ( 1.856 -5.294 -5.225) 7.666 4.961 ( -0.332 -4.058 -5.377) 6.745 5.121 ( 2.187 11.505 3.414) 12.198 5.196 ( -4.042 17.416 3.757) 18.269 5.415 ( 6.262 -15.101 3.796) 16.783 5.550 ( -6.443 -17.200 4.205) 18.842 8.633 ( 11.870 8.377 -5.502) 15.535 8.739 ( 11.612 -2.335 -6.627) 13.573 8.850 ( -7.679 8.032 -5.152) 12.248 8.949 ( -6.818 -1.652 -5.675) 9.023 9.568 ( 4.320 9.727 -3.373) 11.165 9.683 ( 3.092 0.589 -3.330) 4.582 9.727 ( -6.498 6.528 4.440) 10.225 9.859 ( -9.909 -4.179 3.824) 11.414 10.822 ( 12.983 0.811 11.365) 17.274 10.883 ( 13.967 -4.733 10.993) 18.393 11.103 ( -13.603 2.661 9.004) 16.529 11.208 ( -16.408 -6.677 7.450) 19.218 12.967 ( 15.375 10.893 -8.012) 20.475 13.147 ( 15.016 -6.762 -8.586) 18.572 13.291 ( -15.773 10.433 -5.785) 19.776 13.452 ( -14.193 -5.315 -7.286) 16.816 14.963 ( 10.852 13.259 1.532) 17.202 15.186 ( -10.368 12.108 1.038) 15.974 15.241 ( 8.403 -14.684 2.006) 17.037 15.423 ( -8.943 -11.737 2.076) 14.901 16.161 ( 5.849 3.265 -10.122) 12.138 16.198 ( 5.777 -0.421 -9.399) 11.041 16.268 ( -4.185 2.966 -9.719) 10.990 16.299 ( -3.764 -0.033 -8.546) 9.338 17.932 ( 2.236 -0.309 9.687) 9.946 17.942 ( 1.885 -1.250 9.296) 9.567 17.989 ( -1.791 -2.023 8.580) 8.996 17.995 ( -1.808 -2.442 9.694) 10.159 34.164 ( 3.181 4.704 0.262) 5.685 34.190 ( 1.574 3.093 0.368) 3.490 34.293 ( -2.088 -2.692 2.487) 4.218 34.314 ( -3.278 -3.872 2.455) 5.636 36.333 ( 2.827 3.604 0.724) 4.637 36.361 ( 2.193 2.835 1.248) 3.795 36.415 ( -0.947 0.327 2.798) 2.972 36.462 ( -3.459 -2.435 2.964) 5.165 72.794 ( 0.455 5.815 11.140) 12.575 72.802 ( -0.372 5.509 11.177) 12.466 72.947 ( 0.162 -9.706 14.465) 17.420 72.951 ( -0.211 -9.556 14.735) 17.563 ======================= Grid point 255 (82/162) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.000 0.000 28.727) 28.727 2.236 ( 0.000 0.000 29.555) 29.555 3.604 ( 0.000 0.000 48.845) 48.845 3.657 ( 0.000 0.000 -4.209) 4.209 3.754 ( 0.000 0.000 8.933) 8.933 3.905 ( 0.000 0.000 6.436) 6.436 4.558 ( 0.000 0.000 7.123) 7.123 4.667 ( 0.000 0.000 -5.455) 5.455 6.009 ( 0.000 0.000 1.767) 1.767 6.571 ( 0.000 0.000 3.517) 3.517 7.339 ( 0.000 0.000 22.914) 22.914 8.051 ( 0.000 0.000 0.572) 0.572 8.397 ( 0.000 0.000 -3.129) 3.129 8.501 ( 0.000 0.000 -4.424) 4.424 9.408 ( 0.000 0.000 21.020) 21.020 9.873 ( 0.000 0.000 0.220) 0.220 10.040 ( 0.000 0.000 9.918) 9.918 10.174 ( 0.000 0.000 -4.427) 4.427 10.614 ( 0.000 0.000 -26.594) 26.594 11.608 ( 0.000 0.000 -34.158) 34.158 12.069 ( 0.000 0.000 4.336) 4.336 12.139 ( 0.000 0.000 -8.055) 8.055 12.600 ( 0.000 0.000 7.313) 7.313 12.812 ( 0.000 0.000 8.983) 8.983 12.851 ( 0.000 0.000 -18.063) 18.063 13.545 ( 0.000 0.000 -7.206) 7.206 13.771 ( 0.000 0.000 -7.519) 7.519 13.948 ( 0.000 0.000 -15.255) 15.255 15.296 ( 0.000 0.000 18.723) 18.723 16.284 ( 0.000 0.000 3.959) 3.959 16.812 ( 0.000 0.000 2.275) 2.275 17.368 ( 0.000 0.000 -14.397) 14.397 18.586 ( 0.000 0.000 17.046) 17.046 18.962 ( 0.000 0.000 4.423) 4.423 19.377 ( 0.000 0.000 1.056) 1.056 19.468 ( 0.000 0.000 5.424) 5.424 33.252 ( 0.000 0.000 9.365) 9.365 33.333 ( 0.000 0.000 8.070) 8.070 34.213 ( 0.000 0.000 -6.240) 6.240 34.265 ( 0.000 0.000 3.564) 3.564 34.302 ( 0.000 0.000 -7.616) 7.616 35.233 ( 0.000 0.000 -15.953) 15.953 36.842 ( 0.000 0.000 1.271) 1.271 36.970 ( 0.000 0.000 1.091) 1.091 73.329 ( 0.000 0.000 -0.637) 0.637 73.609 ( 0.000 0.000 -1.655) 1.655 77.035 ( 0.000 0.000 51.763) 51.763 80.978 ( 0.000 0.000 -26.330) 26.330 ======================= Grid point 256 (83/162) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 12.426 0.000 25.757) 28.597 2.275 ( 5.605 0.000 28.251) 28.802 3.303 ( -20.598 0.000 6.149) 21.496 3.536 ( -25.340 0.000 11.325) 27.756 3.850 ( 19.099 0.000 37.216) 41.831 4.048 ( 14.790 0.000 -0.229) 14.792 4.628 ( -3.870 0.000 -5.243) 6.516 4.751 ( 8.741 0.000 8.238) 12.011 5.908 ( -1.795 0.000 8.392) 8.582 6.792 ( 9.578 0.000 2.007) 9.786 7.234 ( -4.156 0.000 21.365) 21.765 7.996 ( -5.644 0.000 0.610) 5.677 8.405 ( 0.792 0.000 -3.208) 3.305 8.489 ( -1.104 0.000 -4.240) 4.381 9.444 ( 3.563 0.000 19.868) 20.185 9.904 ( 2.854 0.000 -0.284) 2.868 9.945 ( -8.412 0.000 10.813) 13.700 10.146 ( -2.601 0.000 -4.027) 4.794 10.655 ( 4.164 0.000 -25.716) 26.051 11.369 ( -16.900 0.000 -24.294) 29.594 12.107 ( 5.608 0.000 -7.367) 9.259 12.404 ( 13.739 0.000 -7.078) 15.455 12.616 ( 1.594 0.000 7.417) 7.586 12.786 ( -2.358 0.000 8.704) 9.018 12.843 ( 2.668 0.000 -19.710) 19.889 13.572 ( 2.514 0.000 -7.119) 7.550 13.753 ( -1.690 0.000 -7.436) 7.626 13.840 ( -10.534 0.000 -17.060) 20.051 15.416 ( 11.059 0.000 18.594) 21.634 16.205 ( -7.227 0.000 6.204) 9.525 16.841 ( 2.520 0.000 1.592) 2.981 17.270 ( -8.488 0.000 -10.924) 13.835 18.656 ( 5.722 0.000 14.174) 15.286 18.921 ( -3.396 0.000 5.736) 6.666 19.370 ( 0.685 0.000 3.393) 3.461 19.499 ( 1.295 0.000 5.035) 5.199 33.259 ( 0.676 0.000 9.250) 9.275 33.324 ( -0.786 0.000 8.204) 8.242 34.222 ( 0.859 0.000 -6.382) 6.439 34.294 ( -0.749 0.000 -7.494) 7.531 34.410 ( 12.920 0.000 -1.616) 13.020 35.176 ( -5.653 0.000 -15.756) 16.740 36.852 ( 0.960 0.000 1.273) 1.594 36.956 ( -1.329 0.000 1.131) 1.745 73.324 ( -0.200 0.000 -0.133) 0.240 73.538 ( -5.992 0.000 -0.358) 6.002 77.318 ( 27.085 0.000 48.438) 55.496 80.421 ( -49.496 0.000 -7.980) 50.135 ======================= Grid point 257 (84/162) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 19.640 0.000 19.267) 27.513 2.517 ( 18.195 0.000 21.319) 28.028 2.868 ( -21.722 0.000 12.406) 25.015 2.984 ( -26.380 0.000 13.480) 29.624 4.313 ( 23.079 0.000 25.233) 34.196 4.315 ( 11.367 0.000 -2.999) 11.756 4.510 ( -7.681 0.000 -4.512) 8.908 4.703 ( -13.030 0.000 13.206) 18.552 6.104 ( 19.752 0.000 15.957) 25.393 6.576 ( -22.959 0.000 16.720) 28.402 7.463 ( 18.911 0.000 4.584) 19.458 7.805 ( -13.361 0.000 1.298) 13.423 8.428 ( 1.407 0.000 -3.451) 3.727 8.460 ( -1.596 0.000 -3.835) 4.154 9.557 ( 7.504 0.000 16.752) 18.356 9.743 ( -10.283 0.000 13.161) 16.701 9.981 ( 4.458 0.000 -1.527) 4.712 10.074 ( -4.306 0.000 -2.947) 5.218 10.791 ( 9.297 0.000 -23.639) 25.401 11.037 ( -14.665 0.000 -21.983) 26.425 12.265 ( 9.108 0.000 -10.358) 13.793 12.442 ( -6.890 0.000 -10.652) 12.686 12.662 ( 2.825 0.000 7.715) 8.216 12.726 ( -3.262 0.000 8.174) 8.801 13.119 ( 20.669 0.000 -19.894) 28.687 13.535 ( -18.630 0.000 -19.254) 26.791 13.636 ( 3.484 0.000 -7.089) 7.899 13.704 ( -3.011 0.000 -7.243) 7.844 15.702 ( 15.604 0.000 16.292) 22.559 16.001 ( -12.730 0.000 11.385) 17.079 16.919 ( 5.621 0.000 -0.925) 5.697 17.076 ( -9.385 0.000 -5.320) 10.788 18.769 ( 4.701 0.000 9.988) 11.039 18.849 ( -3.456 0.000 7.592) 8.341 19.418 ( 3.567 0.000 5.856) 6.856 19.487 ( -2.485 0.000 6.222) 6.700 33.278 ( 1.141 0.000 8.943) 9.015 33.303 ( -1.209 0.000 8.544) 8.629 34.246 ( 1.326 0.000 -6.742) 6.871 34.273 ( -1.259 0.000 -7.166) 7.275 34.718 ( 15.644 0.000 -9.941) 18.536 35.001 ( -11.467 0.000 -14.432) 18.433 36.881 ( 1.778 0.000 1.262) 2.180 36.921 ( -2.005 0.000 1.210) 2.342 73.337 ( 1.873 0.000 0.838) 2.052 73.412 ( -5.436 0.000 1.048) 5.536 78.098 ( 48.282 0.000 39.353) 62.288 79.234 ( -60.830 0.000 21.407) 64.487 ======================= Grid point 260 (85/162) ======================= q-point: ( 0.00 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 0.000 10.115 27.132) 28.956 2.375 ( 0.000 34.598 24.587) 42.445 3.689 ( 0.000 10.184 43.414) 44.592 3.834 ( 0.000 15.754 -2.363) 15.931 3.925 ( 0.000 2.641 6.340) 6.868 3.984 ( 0.000 20.789 10.041) 23.087 4.607 ( 0.000 6.801 5.184) 8.552 4.874 ( 0.000 19.249 -5.296) 19.964 6.046 ( 0.000 4.194 1.201) 4.363 6.541 ( 0.000 -3.012 3.453) 4.582 7.320 ( 0.000 -1.562 21.748) 21.804 8.015 ( 0.000 -3.559 1.221) 3.762 8.519 ( 0.000 11.351 -2.456) 11.613 8.738 ( 0.000 22.495 -5.667) 23.198 9.372 ( 0.000 -3.316 19.759) 20.035 9.857 ( 0.000 -1.614 5.073) 5.323 10.153 ( 0.000 10.934 3.491) 11.478 10.202 ( 0.000 1.928 -3.982) 4.424 10.675 ( 0.000 6.653 -25.329) 26.188 11.451 ( 0.000 -10.131 -21.926) 24.153 11.958 ( 0.000 -10.113 4.945) 11.257 12.180 ( 0.000 4.449 -6.914) 8.221 12.753 ( 0.000 -1.393 5.737) 5.904 12.766 ( 0.000 -6.175 -16.507) 17.625 12.929 ( 0.000 22.978 -0.677) 22.988 13.775 ( 0.000 19.091 -7.753) 20.606 13.921 ( 0.000 15.302 -7.701) 17.130 14.052 ( 0.000 9.741 -16.260) 18.955 15.274 ( 0.000 -2.045 18.069) 18.184 16.216 ( 0.000 -6.603 4.150) 7.799 16.768 ( 0.000 -4.357 3.242) 5.431 17.304 ( 0.000 -6.285 -15.008) 16.271 18.556 ( 0.000 -2.887 17.049) 17.291 18.928 ( 0.000 -3.406 4.371) 5.541 19.312 ( 0.000 -6.354 1.054) 6.441 19.356 ( 0.000 -10.196 8.017) 12.970 33.309 ( 0.000 5.432 8.973) 10.489 33.457 ( 0.000 11.782 6.035) 13.238 34.094 ( 0.000 -5.142 -0.709) 5.191 34.281 ( 0.000 -2.055 -7.575) 7.849 34.455 ( 0.000 12.373 -1.362) 12.448 35.276 ( 0.000 4.232 -15.138) 15.718 36.819 ( 0.000 -2.292 1.442) 2.708 36.939 ( 0.000 -3.062 1.214) 3.294 73.295 ( 0.000 -3.349 -0.412) 3.374 73.536 ( 0.000 -7.052 -0.771) 7.094 76.870 ( 0.000 -16.240 50.349) 52.903 80.256 ( 0.000 -66.882 -6.067) 67.157 ======================= Grid point 261 (86/162) ======================= q-point: ( 0.20 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 3.874 10.405 26.025) 28.295 2.490 ( 10.598 31.362 22.725) 40.153 3.469 ( -22.034 11.705 7.206) 25.970 3.650 ( -20.945 14.370 8.453) 26.770 3.929 ( 19.084 9.285 35.950) 41.747 4.239 ( 14.174 17.871 0.053) 22.810 4.734 ( 2.822 6.795 2.731) 7.848 4.875 ( 1.165 16.208 -1.147) 16.291 5.941 ( -2.120 3.749 7.894) 8.992 6.763 ( 9.978 -2.737 1.883) 10.517 7.219 ( -4.339 -1.198 20.377) 20.869 7.959 ( -5.764 -3.705 1.196) 6.956 8.536 ( 1.687 12.204 -2.599) 12.591 8.713 ( -2.334 21.250 -4.973) 21.949 9.397 ( 2.423 -4.185 18.236) 18.866 9.793 ( -6.598 -6.290 7.109) 11.560 10.111 ( 0.082 11.884 0.418) 11.892 10.248 ( 1.136 8.539 -1.844) 8.809 10.702 ( 2.897 5.188 -24.096) 24.818 11.298 ( -12.668 -4.856 -19.654) 23.882 12.001 ( 5.200 -9.271 -0.673) 10.651 12.323 ( 8.871 -2.267 -5.831) 10.855 12.633 ( -5.597 -4.692 -3.460) 8.082 12.803 ( -0.853 -1.247 1.453) 2.096 13.035 ( 9.992 22.003 -10.484) 26.342 13.781 ( 0.623 18.470 -7.723) 20.029 13.878 ( -5.182 12.129 -10.583) 16.910 13.973 ( -6.293 12.682 -14.514) 20.275 15.394 ( 11.050 -1.912 17.728) 20.977 16.143 ( -6.631 -5.949 6.222) 10.867 16.797 ( 2.531 -4.401 2.341) 5.591 17.214 ( -7.900 -5.520 -11.611) 15.090 18.621 ( 5.382 -3.391 14.380) 15.724 18.884 ( -3.543 -3.610 5.931) 7.795 19.303 ( 0.673 -6.540 3.876) 7.632 19.397 ( 1.819 -9.440 6.127) 11.400 33.320 ( 1.077 5.847 8.888) 10.693 33.434 ( -1.931 10.482 6.948) 12.723 34.142 ( 3.522 -4.800 -3.681) 6.999 34.272 ( -0.866 -2.125 -7.391) 7.739 34.554 ( 9.561 11.348 -3.546) 15.257 35.222 ( -5.320 4.528 -14.887) 16.444 36.829 ( 0.919 -2.329 1.428) 2.882 36.926 ( -1.227 -2.957 1.246) 3.435 73.290 ( -0.273 -3.402 0.075) 3.414 73.474 ( -5.248 -6.218 0.265) 8.141 77.125 ( 24.296 -18.974 47.600) 56.711 79.802 ( -40.701 -57.850 6.318) 71.015 ======================= Grid point 262 (87/162) ======================= q-point: ( 0.40 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 14.982 7.442 20.202) 26.229 2.760 ( 11.300 21.635 17.350) 29.947 3.017 ( -16.811 14.198 13.149) 25.633 3.219 ( -20.315 24.752 12.181) 34.259 4.363 ( 20.254 6.628 20.567) 29.617 4.506 ( 12.052 17.285 -0.871) 21.089 4.657 ( -7.550 11.304 1.117) 13.639 4.792 ( -11.411 12.141 6.523) 17.893 6.121 ( 18.694 2.207 15.285) 24.248 6.572 ( -21.853 -0.074 15.843) 26.992 7.430 ( 18.312 -3.125 4.739) 19.171 7.766 ( -13.297 -3.796 1.690) 13.931 8.586 ( 2.998 14.746 -2.996) 15.343 8.652 ( -3.334 18.185 -3.770) 18.869 9.476 ( 5.595 -6.335 14.436) 16.728 9.625 ( -8.588 -8.124 10.255) 15.650 10.162 ( 3.795 14.409 -0.172) 14.901 10.232 ( -2.473 13.048 -1.127) 13.328 10.808 ( 7.813 2.337 -21.786) 23.262 11.022 ( -12.879 -0.345 -19.646) 23.494 12.155 ( 9.074 -8.679 -5.541) 13.725 12.336 ( -7.288 -7.392 -8.281) 13.279 12.643 ( 5.666 -2.376 2.914) 6.800 12.750 ( -4.098 -0.054 3.516) 5.400 13.310 ( 16.073 17.459 -17.632) 29.564 13.643 ( -15.225 12.071 -18.652) 26.933 13.821 ( 2.156 16.077 -7.268) 17.774 13.878 ( -3.354 15.883 -7.919) 18.062 15.674 ( 14.936 -2.644 15.423) 21.631 15.955 ( -11.808 -4.383 10.935) 16.680 16.876 ( 5.596 -4.346 -0.699) 7.120 17.030 ( -9.078 -4.581 -5.703) 11.658 18.730 ( 4.662 -3.817 10.368) 11.992 18.810 ( -3.535 -3.762 7.954) 9.483 19.345 ( 2.961 -7.055 5.890) 9.656 19.399 ( -1.700 -8.381 6.526) 10.757 33.350 ( 1.790 6.904 8.611) 11.181 33.391 ( -2.161 8.454 8.027) 11.856 34.204 ( 2.491 -3.335 -6.008) 7.309 34.246 ( -1.642 -2.444 -6.893) 7.496 34.806 ( 13.562 8.089 -9.484) 18.420 35.059 ( -10.524 5.644 -13.510) 18.031 36.856 ( 1.678 -2.467 1.385) 3.290 36.893 ( -1.867 -2.710 1.317) 3.545 73.299 ( 1.555 -3.749 1.033) 4.189 73.363 ( -4.751 -4.728 1.344) 6.836 77.820 ( 42.628 -27.003 40.339) 64.603 78.807 ( -51.979 -40.687 26.940) 71.295 ======================= Grid point 265 (88/162) ======================= q-point: ( 0.00 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 0.000 17.970 21.512) 28.030 3.021 ( 0.000 25.094 26.128) 36.227 3.940 ( 0.000 6.413 10.761) 12.528 4.140 ( 0.000 12.165 2.480) 12.415 4.179 ( 0.000 33.821 24.603) 41.823 4.470 ( 0.000 24.925 8.183) 26.233 4.890 ( 0.000 22.066 1.742) 22.135 5.373 ( 0.000 29.821 -6.691) 30.562 6.208 ( 0.000 13.340 -0.435) 13.347 6.457 ( 0.000 -5.386 3.409) 6.374 7.301 ( 0.000 0.468 17.838) 17.844 7.912 ( 0.000 -6.771 2.189) 7.116 8.781 ( 0.000 13.217 -1.932) 13.358 9.240 ( 0.000 8.837 2.519) 9.189 9.352 ( 0.000 18.374 8.280) 20.153 9.821 ( 0.000 -1.522 8.088) 8.230 10.211 ( 0.000 -1.115 -2.302) 2.558 10.429 ( 0.000 15.877 -3.756) 16.315 10.902 ( 0.000 16.525 -19.960) 25.912 11.355 ( 0.000 1.528 -13.845) 13.929 11.725 ( 0.000 -12.149 5.058) 13.160 12.323 ( 0.000 9.851 -3.620) 10.495 12.658 ( 0.000 -4.417 -13.562) 14.263 12.678 ( 0.000 -4.785 6.321) 7.928 13.427 ( 0.000 23.838 -7.615) 25.025 14.173 ( 0.000 20.862 -6.619) 21.886 14.289 ( 0.000 12.997 -18.092) 22.276 14.359 ( 0.000 26.670 -8.941) 28.129 15.237 ( 0.000 -0.890 15.485) 15.511 16.047 ( 0.000 -9.595 4.226) 10.484 16.646 ( 0.000 -7.790 5.389) 9.473 17.134 ( 0.000 -10.495 -15.808) 18.975 18.484 ( 0.000 -4.003 16.736) 17.208 18.829 ( 0.000 -6.561 4.423) 7.913 19.121 ( 0.000 -12.299 11.519) 16.851 19.139 ( 0.000 -10.761 0.777) 10.789 33.445 ( 0.000 7.651 7.256) 10.545 33.748 ( 0.000 16.286 2.916) 16.545 34.039 ( 0.000 -0.086 2.190) 2.191 34.228 ( 0.000 -2.969 -6.931) 7.541 34.728 ( 0.000 15.013 -2.028) 15.150 35.396 ( 0.000 7.737 -13.260) 15.352 36.756 ( 0.000 -3.970 1.908) 4.405 36.856 ( 0.000 -5.088 1.479) 5.298 73.204 ( 0.000 -5.634 0.268) 5.641 73.353 ( 0.000 -10.754 1.278) 10.830 76.421 ( 0.000 -28.159 46.374) 54.254 78.668 ( 0.000 -86.025 24.321) 89.397 ======================= Grid point 266 (89/162) ======================= q-point: ( 0.20 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 2.039 16.814 21.165) 27.108 3.100 ( 5.755 23.930 21.912) 32.953 3.682 ( -18.861 10.775 8.810) 23.440 4.034 ( -7.513 19.996 8.368) 22.941 4.322 ( 10.172 31.183 24.470) 40.922 4.653 ( 14.864 21.238 2.582) 26.051 4.939 ( 1.603 16.530 1.975) 16.725 5.347 ( -2.939 29.098 -5.602) 29.778 6.084 ( -2.445 11.490 6.561) 13.455 6.700 ( 11.521 -2.944 1.222) 11.954 7.211 ( -4.964 1.178 16.773) 17.532 7.854 ( -5.870 -6.721 2.032) 9.152 8.819 ( 3.859 14.436 -1.930) 15.067 9.222 ( -3.237 21.276 -3.262) 21.766 9.319 ( -1.343 2.916 13.647) 14.020 9.677 ( -10.604 -5.186 7.606) 14.042 10.310 ( 7.100 6.317 -0.274) 9.507 10.485 ( 4.060 15.872 -4.058) 16.878 10.887 ( -0.723 13.969 -18.186) 22.943 11.281 ( -7.272 4.747 -14.745) 17.112 11.787 ( 6.480 -11.417 2.887) 13.441 12.356 ( -0.357 4.706 -7.980) 9.271 12.535 ( -3.232 -4.288 0.391) 5.384 12.754 ( 1.528 -2.460 -1.708) 3.362 13.505 ( 7.228 22.634 -10.629) 26.029 14.148 ( -4.993 16.234 -12.217) 20.923 14.214 ( -3.525 20.370 -12.606) 24.213 14.333 ( -2.532 23.678 -8.583) 25.312 15.359 ( 10.733 -0.939 14.500) 18.064 15.992 ( -5.082 -8.562 5.742) 11.494 16.672 ( 2.501 -7.957 4.174) 9.327 17.064 ( -6.376 -9.306 -12.617) 16.925 18.535 ( 4.395 -4.858 14.579) 15.983 18.783 ( -3.555 -6.377 6.473) 9.757 19.128 ( 1.048 -10.517 5.546) 11.936 19.171 ( 1.851 -12.569 6.102) 14.094 33.468 ( 2.116 8.323 7.287) 11.263 33.696 ( -4.170 14.692 4.937) 16.051 34.085 ( 3.408 -0.417 -0.564) 3.480 34.219 ( -0.838 -2.797 -6.532) 7.155 34.811 ( 7.715 14.277 -4.093) 16.737 35.349 ( -4.569 8.153 -12.925) 15.950 36.764 ( 0.816 -4.027 1.853) 4.508 36.846 ( -0.984 -4.939 1.507) 5.257 73.197 ( -0.442 -5.701 0.713) 5.763 73.312 ( -3.514 -9.629 1.766) 10.401 76.609 ( 17.767 -31.959 44.831) 57.852 78.401 ( -24.374 -77.341 28.318) 85.894 ======================= Grid point 267 (90/162) ======================= q-point: ( 0.40 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 11.505 13.659 16.962) 24.630 3.051 ( -13.783 11.254 12.718) 21.871 3.521 ( 7.310 28.035 17.103) 33.644 3.778 ( -14.621 26.785 13.278) 33.279 4.617 ( 15.153 20.060 12.246) 27.964 4.864 ( -7.624 15.803 2.156) 17.678 4.964 ( 13.535 23.894 2.713) 27.595 5.218 ( -10.041 27.371 -1.507) 29.194 6.225 ( 15.300 9.404 12.747) 22.023 6.599 ( -17.662 3.635 12.846) 22.140 7.356 ( 15.919 -3.685 4.416) 16.927 7.665 ( -12.723 -6.091 2.006) 14.248 8.934 ( 7.119 18.185 -1.924) 19.623 9.094 ( -7.966 23.723 -2.618) 25.161 9.348 ( 3.846 -6.269 11.689) 13.811 9.474 ( -8.429 -6.755 8.741) 13.896 10.449 ( 5.958 12.804 0.376) 14.128 10.527 ( -0.989 16.445 -2.288) 16.633 10.923 ( 5.290 10.410 -16.522) 20.232 11.091 ( -10.015 8.829 -15.442) 20.414 11.975 ( 11.066 -9.105 -2.462) 14.540 12.207 ( -10.974 -5.653 -6.978) 14.180 12.610 ( 6.786 0.075 1.266) 6.903 12.728 ( -3.957 -0.859 -0.202) 4.054 13.701 ( 11.404 19.758 -15.678) 27.681 13.947 ( -12.055 16.412 -18.203) 27.313 14.215 ( 1.844 22.583 -6.846) 23.669 14.270 ( -3.241 22.735 -7.473) 24.150 15.613 ( 12.847 -2.895 12.398) 18.087 15.845 ( -9.374 -6.057 9.157) 14.436 16.754 ( 5.770 -7.736 0.139) 9.652 16.904 ( -8.412 -7.838 -6.118) 13.024 18.631 ( 4.388 -5.832 11.036) 13.231 18.710 ( -3.560 -6.082 8.688) 11.187 19.160 ( 1.804 -11.008 5.664) 12.511 19.187 ( -0.455 -12.257 6.563) 13.911 33.526 ( 3.490 10.071 7.259) 12.896 33.607 ( -4.287 12.339 6.712) 14.686 34.149 ( 2.689 -1.499 -3.572) 4.716 34.193 ( -1.698 -2.309 -5.409) 6.121 35.009 ( 10.668 11.947 -8.380) 18.077 35.212 ( -8.682 9.541 -11.547) 17.313 36.788 ( 1.429 -4.232 1.725) 4.788 36.819 ( -1.532 -4.585 1.594) 5.090 73.198 ( 0.795 -6.182 1.626) 6.442 73.238 ( -3.119 -7.564 2.145) 8.458 77.108 ( 30.024 -42.680 41.147) 66.454 77.778 ( -33.936 -59.188 35.589) 76.951 ======================= Grid point 270 (91/162) ======================= q-point: ( 0.00 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 0.000 22.711 15.467) 27.477 3.369 ( 0.000 12.826 26.193) 29.165 4.055 ( 0.000 6.573 6.811) 9.465 4.310 ( 0.000 6.329 3.334) 7.153 4.862 ( 0.000 13.620 6.888) 15.263 5.053 ( 0.000 48.846 13.967) 50.803 5.361 ( 0.000 20.916 3.325) 21.178 6.011 ( 0.000 34.042 -8.506) 35.088 6.338 ( 0.000 -6.058 3.655) 7.075 6.602 ( 0.000 25.782 -1.535) 25.828 7.378 ( 0.000 8.265 9.245) 12.401 7.758 ( 0.000 -8.142 1.915) 8.364 8.990 ( 0.000 7.646 -2.639) 8.088 9.185 ( 0.000 -4.256 10.438) 11.272 9.818 ( 0.000 1.548 9.934) 10.054 9.855 ( 0.000 16.295 5.222) 17.111 10.240 ( 0.000 9.071 -5.645) 10.684 10.755 ( 0.000 16.620 -10.388) 19.600 11.242 ( 0.000 10.066 -1.223) 10.140 11.505 ( 0.000 12.998 -12.344) 17.926 11.557 ( 0.000 1.459 -5.004) 5.212 12.484 ( 0.000 -0.369 7.430) 7.439 12.598 ( 0.000 -1.416 -10.290) 10.387 12.645 ( 0.000 7.628 -3.646) 8.454 13.810 ( 0.000 14.430 -3.064) 14.751 14.520 ( 0.000 9.477 -17.909) 20.262 14.599 ( 0.000 21.713 -6.239) 22.592 14.896 ( 0.000 26.430 -9.485) 28.081 15.273 ( 0.000 5.130 9.962) 11.205 15.877 ( 0.000 -6.655 2.777) 7.211 16.478 ( 0.000 -8.607 7.170) 11.202 16.904 ( 0.000 -12.523 -14.486) 19.148 18.410 ( 0.000 -3.338 15.573) 15.927 18.672 ( 0.000 -9.135 4.871) 10.352 18.897 ( 0.000 -10.214 12.375) 16.046 18.905 ( 0.000 -12.459 -0.144) 12.460 33.581 ( 0.000 5.648 3.755) 6.783 34.032 ( 0.000 8.704 -1.940) 8.918 34.098 ( 0.000 5.943 6.295) 8.657 34.203 ( 0.000 3.702 -1.754) 4.096 35.041 ( 0.000 16.490 -2.149) 16.630 35.570 ( 0.000 9.461 -11.194) 14.656 36.669 ( 0.000 -4.565 2.579) 5.243 36.750 ( 0.000 -5.338 1.780) 5.627 73.084 ( 0.000 -6.198 1.406) 6.356 73.138 ( 0.000 -10.348 3.428) 10.901 75.799 ( 0.000 -33.724 40.615) 52.791 77.054 ( 0.000 -74.718 36.997) 83.377 ======================= Grid point 271 (92/162) ======================= q-point: ( 0.20 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( -0.136 21.263 15.599) 26.371 3.433 ( 1.842 12.765 18.683) 22.702 3.889 ( -8.112 10.343 11.899) 17.730 4.325 ( -3.046 9.050 7.003) 11.842 4.903 ( 4.225 15.476 6.947) 17.482 5.200 ( 13.462 41.932 10.234) 45.214 5.329 ( -3.548 18.269 1.574) 18.676 5.969 ( -4.646 32.742 -6.449) 33.693 6.343 ( 3.197 9.458 5.346) 11.325 6.736 ( 8.486 11.473 -0.065) 14.270 7.309 ( -4.841 9.812 8.159) 13.648 7.708 ( -4.936 -7.105 1.466) 8.775 9.048 ( 5.694 8.052 -2.388) 10.147 9.194 ( 0.953 -4.535 9.954) 10.980 9.605 ( -13.531 -1.394 8.587) 16.086 9.755 ( -10.060 18.541 1.871) 21.177 10.437 ( 13.500 9.210 -1.170) 16.384 10.814 ( 4.295 16.231 -7.977) 18.589 11.214 ( -1.919 15.463 -3.829) 16.045 11.490 ( -4.008 14.647 -12.230) 19.498 11.598 ( 6.759 -4.080 -3.590) 8.673 12.383 ( -12.330 -3.858 -4.409) 13.651 12.547 ( 4.179 5.594 1.474) 7.136 12.749 ( 3.172 3.399 -4.131) 6.219 13.871 ( 5.788 13.955 -5.701) 16.148 14.422 ( -7.703 11.086 -16.738) 21.503 14.630 ( 1.662 21.259 -6.955) 22.430 14.832 ( -4.689 24.901 -7.685) 26.478 15.389 ( 9.292 4.583 7.972) 13.073 15.842 ( -3.172 -5.621 3.610) 7.395 16.501 ( 2.393 -8.793 5.966) 10.891 16.857 ( -4.503 -11.368 -11.593) 16.849 18.443 ( 2.997 -4.256 13.947) 14.886 18.640 ( -2.592 -7.952 6.649) 10.685 18.910 ( 0.768 -11.588 2.864) 11.962 18.920 ( 1.360 -12.087 8.437) 14.803 33.616 ( 3.262 6.049 3.710) 7.810 33.954 ( -5.673 9.233 1.842) 10.992 34.137 ( 2.031 4.592 2.446) 5.585 34.200 ( -0.319 3.610 -1.229) 3.827 35.109 ( 6.164 15.653 -3.777) 17.242 35.532 ( -3.690 9.947 -10.800) 15.140 36.677 ( 0.708 -4.606 2.474) 5.276 36.742 ( -0.738 -5.237 1.831) 5.596 73.076 ( -0.599 -6.235 1.800) 6.517 73.118 ( -1.747 -9.451 3.467) 10.217 75.915 ( 10.919 -36.989 40.072) 55.617 76.923 ( -12.191 -69.668 37.388) 80.001 ======================= Grid point 272 (93/162) ======================= q-point: ( 0.40 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 7.615 18.222 12.595) 23.423 3.296 ( -12.233 13.885 9.549) 20.824 3.933 ( 9.994 14.329 18.982) 25.798 4.166 ( -11.108 12.702 13.980) 21.913 5.039 ( 8.340 16.073 3.620) 18.466 5.209 ( -7.646 15.694 1.219) 17.500 5.524 ( 16.216 34.496 4.038) 38.330 5.809 ( -11.062 32.161 -1.904) 34.063 6.500 ( 11.404 15.990 8.062) 21.231 6.741 ( -9.260 10.797 7.680) 16.165 7.338 ( 8.961 4.183 1.363) 9.983 7.554 ( -9.981 -3.581 0.417) 10.612 9.205 ( 7.400 3.878 2.447) 8.705 9.244 ( 5.378 -1.555 5.810) 8.068 9.373 ( -7.433 0.577 7.687) 10.709 9.506 ( -13.094 14.774 0.069) 19.741 10.687 ( 10.353 12.309 0.031) 16.084 10.839 ( -3.525 14.278 -2.461) 14.911 11.229 ( 4.595 19.236 -7.910) 21.300 11.367 ( -7.379 17.101 -9.637) 20.970 11.811 ( 13.224 -6.401 -5.624) 15.731 12.102 ( -14.572 -4.869 -6.188) 16.563 12.657 ( 5.736 4.236 0.446) 7.145 12.751 ( -2.768 3.620 -1.903) 4.938 14.031 ( 9.430 13.032 -11.214) 19.609 14.236 ( -10.061 12.053 -15.523) 22.079 14.669 ( 2.540 22.522 -6.228) 23.505 14.739 ( -4.159 23.568 -6.747) 24.865 15.588 ( 9.337 1.059 6.767) 11.580 15.749 ( -6.175 -2.853 5.362) 8.662 16.585 ( 5.991 -8.845 1.661) 10.811 16.730 ( -7.433 -9.546 -5.051) 13.111 18.514 ( 3.592 -5.664 10.923) 12.818 18.582 ( -3.030 -6.604 8.695) 11.331 18.928 ( 0.858 -12.241 4.172) 12.961 18.937 ( 0.153 -12.448 6.990) 14.277 33.707 ( 5.431 7.211 3.602) 9.720 33.828 ( -6.285 8.647 3.222) 11.165 34.169 ( 1.241 3.505 0.757) 3.795 34.189 ( -0.744 3.400 -0.262) 3.490 35.264 ( 8.274 13.573 -6.944) 17.346 35.423 ( -6.841 11.393 -9.464) 16.315 36.697 ( 1.173 -4.750 2.231) 5.377 36.722 ( -1.191 -4.994 1.987) 5.506 73.068 ( 0.002 -6.608 2.627) 7.111 73.082 ( -1.405 -7.754 3.268) 8.531 76.216 ( 17.731 -45.816 39.054) 62.759 76.597 ( -18.516 -58.010 38.170) 71.868 ======================= Grid point 275 (94/162) ======================= q-point: ( 0.00 0.24 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.500 ( 0.000 24.695 10.518) 26.841 3.594 ( 0.000 10.599 18.957) 21.719 4.210 ( 0.000 9.023 5.891) 10.776 4.421 ( 0.000 5.156 0.815) 5.220 5.023 ( 0.000 3.773 4.533) 5.898 5.598 ( 0.000 2.852 4.573) 5.389 5.980 ( 0.000 42.505 7.949) 43.242 6.197 ( 0.000 -6.583 9.401) 11.477 6.735 ( 0.000 36.758 -12.820) 38.929 7.090 ( 0.000 16.727 3.075) 17.007 7.632 ( 0.000 16.291 -2.267) 16.448 7.686 ( 0.000 6.703 -5.180) 8.471 9.103 ( 0.000 4.730 -1.918) 5.104 9.110 ( 0.000 -3.175 7.957) 8.567 9.887 ( 0.000 5.306 10.048) 11.363 9.957 ( 0.000 0.510 10.510) 10.523 10.552 ( 0.000 16.130 -5.430) 17.019 11.059 ( 0.000 11.657 -14.682) 18.747 11.172 ( 0.000 -6.518 10.123) 12.040 11.820 ( 0.000 16.098 -12.643) 20.469 11.827 ( 0.000 14.307 -4.002) 14.856 12.391 ( 0.000 -4.127 10.125) 10.934 12.642 ( 0.000 7.705 -11.017) 13.444 12.884 ( 0.000 12.590 -6.774) 14.297 14.018 ( 0.000 7.732 3.779) 8.606 14.655 ( 0.000 4.712 -13.615) 14.407 15.006 ( 0.000 18.889 -7.154) 20.199 15.371 ( 0.000 20.924 -10.325) 23.333 15.431 ( 0.000 9.913 3.911) 10.657 15.806 ( 0.000 -0.539 -0.498) 0.734 16.328 ( 0.000 -6.100 8.486) 10.451 16.645 ( 0.000 -13.484 -9.965) 16.767 18.352 ( 0.000 -2.660 13.686) 13.942 18.477 ( 0.000 -10.287 5.326) 11.584 18.660 ( 0.000 -12.088 -1.199) 12.147 18.717 ( 0.000 -8.106 11.477) 14.051 33.673 ( 0.000 4.027 1.092) 4.172 34.057 ( 0.000 -1.443 -5.753) 5.931 34.248 ( 0.000 8.212 8.821) 12.052 34.397 ( 0.000 10.961 4.279) 11.766 35.371 ( 0.000 16.616 -1.962) 16.732 35.755 ( 0.000 8.926 -9.255) 12.858 36.584 ( 0.000 -3.898 3.380) 5.159 36.660 ( 0.000 -3.439 2.129) 4.045 72.961 ( 0.000 -7.249 5.213) 8.929 72.970 ( 0.000 -4.983 2.969) 5.801 75.126 ( 0.000 -33.512 34.158) 47.852 75.750 ( 0.000 -57.123 36.107) 67.577 ======================= Grid point 276 (95/162) ======================= q-point: ( 0.20 0.24 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( -1.997 21.584 11.273) 24.432 3.680 ( 2.483 13.422 12.480) 18.495 4.100 ( -4.572 11.029 9.656) 15.355 4.449 ( -1.100 4.705 4.424) 6.551 5.064 ( 4.530 3.503 4.140) 7.066 5.536 ( -5.765 2.632 4.237) 7.623 6.047 ( 6.623 36.942 6.405) 38.073 6.307 ( 8.438 -0.665 9.519) 12.738 6.708 ( -1.662 33.394 -11.035) 35.209 7.084 ( -1.498 14.851 2.905) 15.207 7.601 ( -2.122 18.639 -3.808) 19.142 7.678 ( -1.025 9.130 -4.755) 10.345 9.115 ( 0.679 -3.077 7.697) 8.317 9.155 ( 4.975 3.821 -1.360) 6.419 9.627 ( -13.742 3.334 9.071) 16.800 9.971 ( -8.053 5.578 6.828) 11.941 10.681 ( 11.887 13.240 -2.215) 17.930 11.101 ( 1.753 12.608 -10.987) 16.815 11.250 ( 8.355 -7.825 10.264) 15.375 11.730 ( -5.212 13.253 -3.705) 14.715 11.861 ( 0.633 16.892 -12.458) 20.999 12.316 ( -8.321 0.047 0.160) 8.323 12.656 ( 3.045 7.028 -4.566) 8.918 12.899 ( 0.276 9.846 -5.778) 11.419 14.073 ( 5.254 7.467 0.902) 9.175 14.583 ( -6.429 5.774 -12.988) 15.600 15.028 ( 1.782 18.256 -6.864) 19.585 15.273 ( -5.594 19.046 -6.648) 20.934 15.540 ( 6.484 9.829 0.103) 11.776 15.792 ( -1.180 0.666 0.007) 1.355 16.347 ( 2.059 -6.347 7.545) 10.073 16.621 ( -2.632 -12.418 -7.539) 14.764 18.367 ( 1.522 -3.622 12.137) 12.757 18.474 ( -0.457 -8.711 5.981) 10.577 18.666 ( 0.625 -12.120 0.472) 12.145 18.717 ( -0.089 -9.076 10.015) 13.516 33.709 ( 3.476 3.909 0.839) 5.298 34.023 ( -3.346 0.034 -4.132) 5.317 34.254 ( 0.760 7.590 7.446) 10.660 34.373 ( -2.083 10.073 4.683) 11.301 35.422 ( 4.597 15.765 -3.082) 16.709 35.728 ( -2.602 9.608 -8.808) 13.291 36.591 ( 0.672 -3.892 3.230) 5.102 36.652 ( -0.696 -3.521 2.226) 4.223 72.954 ( -0.554 -6.710 5.133) 8.466 72.963 ( -0.651 -4.998 3.222) 5.982 75.188 ( 5.820 -35.668 34.120) 49.701 75.692 ( -5.558 -54.651 35.725) 65.528 ======================= Grid point 277 (96/162) ======================= q-point: ( 0.40 0.24 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( 4.371 20.070 8.357) 22.176 3.599 ( -7.941 16.706 6.231) 19.519 4.159 ( 8.416 9.760 15.090) 19.845 4.344 ( -8.286 6.726 10.821) 15.198 5.203 ( 8.443 2.633 3.436) 9.488 5.383 ( -8.677 2.337 3.704) 9.720 6.226 ( 9.729 29.082 3.157) 30.828 6.384 ( -3.655 18.042 4.205) 18.883 6.768 ( 9.189 17.700 -1.716) 20.017 6.981 ( -8.981 12.320 3.123) 15.563 7.589 ( 1.449 20.000 -5.626) 20.827 7.640 ( -2.664 14.791 -5.532) 16.015 9.152 ( 3.381 -2.532 7.543) 8.645 9.234 ( -1.621 -0.894 4.175) 4.567 9.481 ( 4.119 6.717 4.156) 8.908 9.713 ( -14.468 6.976 2.561) 16.265 10.928 ( 10.474 11.177 0.067) 15.318 11.080 ( -4.172 10.187 -3.171) 11.456 11.473 ( 11.108 -2.014 9.627) 14.836 11.629 ( -4.919 7.807 3.580) 9.897 11.892 ( 4.281 16.282 -17.402) 24.212 12.082 ( -12.752 7.083 -11.907) 18.830 12.759 ( 5.957 6.091 -1.599) 8.669 12.865 ( -3.736 7.161 -3.396) 8.761 14.222 ( 8.966 7.040 -5.355) 12.594 14.416 ( -9.445 6.687 -10.611) 15.701 15.078 ( 3.289 18.153 -6.328) 19.504 15.163 ( -4.985 18.682 -6.618) 20.437 15.665 ( 5.488 6.260 0.589) 8.345 15.753 ( -2.988 3.339 0.547) 4.514 16.420 ( 5.069 -7.549 3.953) 9.915 16.535 ( -5.493 -9.959 -1.887) 11.529 18.409 ( 2.336 -5.159 9.246) 10.842 18.452 ( -1.687 -6.545 7.174) 9.856 18.686 ( 1.220 -11.781 3.890) 12.466 18.708 ( -0.837 -10.677 7.201) 12.906 33.806 ( 5.695 3.492 0.040) 6.680 33.927 ( -5.751 2.336 -1.555) 6.399 34.281 ( 1.806 7.216 5.733) 9.391 34.325 ( -2.397 8.289 5.156) 10.052 35.536 ( 6.038 13.728 -5.386) 15.935 35.651 ( -4.899 11.411 -7.479) 14.496 36.610 ( 1.107 -3.837 2.874) 4.920 36.633 ( -1.121 -3.696 2.495) 4.598 72.945 ( -0.193 -5.741 4.698) 7.420 72.949 ( -0.538 -5.142 3.917) 6.486 75.347 ( 9.162 -41.310 34.275) 54.454 75.538 ( -9.009 -48.490 34.905) 60.422 ======================= Grid point 280 (97/162) ======================= q-point: ( 0.00 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( 0.000 11.103 10.501) 15.282 3.990 ( 0.000 24.557 7.033) 25.544 4.402 ( 0.000 10.047 4.195) 10.887 4.519 ( 0.000 4.748 -2.728) 5.476 5.052 ( 0.000 -0.058 2.417) 2.418 5.533 ( 0.000 -7.655 1.374) 7.777 6.051 ( 0.000 -8.510 12.254) 14.920 6.583 ( 0.000 12.015 7.775) 14.312 7.260 ( 0.000 12.600 2.821) 12.912 7.441 ( 0.000 33.607 -13.812) 36.335 7.957 ( 0.000 15.339 -9.454) 18.018 8.082 ( 0.000 26.082 -11.842) 28.644 9.070 ( 0.000 -0.480 6.499) 6.517 9.209 ( 0.000 6.283 0.189) 6.286 9.976 ( 0.000 1.781 10.421) 10.572 10.017 ( 0.000 7.505 7.768) 10.802 10.797 ( 0.000 8.646 -0.536) 8.662 10.966 ( 0.000 -8.521 9.776) 12.969 11.334 ( 0.000 10.297 -17.559) 20.355 11.961 ( 0.000 -2.924 -7.043) 7.626 11.965 ( 0.000 1.537 9.818) 9.937 12.469 ( 0.000 11.826 4.031) 12.494 12.925 ( 0.000 18.815 -13.456) 23.132 13.105 ( 0.000 9.983 -7.210) 12.315 14.156 ( 0.000 6.847 6.774) 9.632 14.745 ( 0.000 5.486 -8.785) 10.358 15.323 ( 0.000 12.610 -9.550) 15.818 15.623 ( 0.000 8.482 0.279) 8.487 15.697 ( 0.000 11.397 -12.374) 16.823 15.845 ( 0.000 4.370 -2.275) 4.927 16.246 ( 0.000 -2.318 10.323) 10.581 16.381 ( 0.000 -12.594 -2.809) 12.904 18.280 ( 0.000 -9.237 5.115) 10.559 18.297 ( 0.000 -3.020 11.543) 11.931 18.435 ( 0.000 -10.491 -1.322) 10.574 18.570 ( 0.000 -6.968 9.967) 12.161 33.755 ( 0.000 4.461 0.132) 4.463 34.038 ( 0.000 -0.294 -4.423) 4.433 34.392 ( 0.000 5.885 8.772) 10.563 34.566 ( 0.000 5.672 5.225) 7.712 35.690 ( 0.000 15.411 -1.546) 15.488 35.915 ( 0.000 7.223 -7.137) 10.154 36.521 ( 0.000 -2.323 4.196) 4.796 36.622 ( 0.000 -0.414 2.434) 2.469 72.858 ( 0.000 -3.143 6.786) 7.478 72.895 ( 0.000 -2.431 4.887) 5.459 74.499 ( 0.000 -29.521 27.995) 40.684 74.780 ( 0.000 -41.536 30.524) 51.546 ======================= Grid point 281 (98/162) ======================= q-point: ( 0.20 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( 0.530 15.045 7.993) 17.045 4.017 ( 0.694 20.790 6.227) 21.714 4.321 ( -3.713 11.167 5.448) 12.968 4.535 ( -0.900 4.243 1.257) 4.516 5.087 ( 3.680 -0.515 1.945) 4.194 5.484 ( -4.739 -6.371 2.992) 8.485 6.136 ( 7.809 -8.928 10.309) 15.715 6.594 ( -0.154 5.381 7.819) 9.493 7.221 ( -1.107 21.649 -1.098) 21.705 7.478 ( 1.201 30.606 -12.130) 32.944 7.962 ( 0.733 16.337 -9.233) 18.780 8.080 ( -0.370 25.252 -11.714) 27.839 9.080 ( 1.242 -0.078 6.944) 7.055 9.246 ( 3.269 5.807 1.005) 6.739 9.717 ( -12.914 5.354 8.383) 16.301 10.057 ( -6.615 4.124 7.063) 10.519 10.896 ( 10.067 7.740 1.305) 12.765 11.082 ( 9.868 -7.957 9.176) 15.649 11.314 ( -1.926 8.624 -12.746) 15.509 11.811 ( -8.611 -3.795 5.406) 10.853 12.081 ( 5.470 5.264 -3.741) 8.464 12.490 ( 0.189 15.415 -0.715) 15.432 12.872 ( -2.933 13.389 -10.405) 17.208 13.094 ( -1.774 10.231 -7.064) 12.559 14.206 ( 4.858 6.696 4.047) 9.210 14.688 ( -5.483 5.835 -8.499) 11.677 15.330 ( 0.882 11.862 -8.895) 14.853 15.576 ( -5.158 11.622 -6.846) 14.441 15.712 ( 3.162 6.110 -4.232) 8.077 15.870 ( 1.256 6.770 -2.881) 7.464 16.258 ( 1.214 -2.765 9.542) 10.009 16.378 ( -0.591 -11.491 -1.127) 11.561 18.275 ( 0.349 -6.860 6.774) 9.647 18.321 ( 1.134 -5.503 7.704) 9.535 18.443 ( 0.929 -10.172 0.795) 10.245 18.557 ( -1.241 -7.328 9.474) 12.041 33.787 ( 3.097 4.245 -0.064) 5.255 34.023 ( -1.619 0.433 -3.762) 4.118 34.391 ( 0.116 5.519 8.130) 9.827 34.532 ( -2.974 5.446 5.504) 8.295 35.725 ( 3.150 14.716 -2.211) 15.211 35.904 ( -1.108 8.120 -6.653) 10.556 36.529 ( 0.731 -2.307 4.007) 4.681 36.610 ( -1.068 -0.728 2.592) 2.897 72.858 ( 0.051 -2.931 6.646) 7.263 72.889 ( -0.613 -2.374 5.100) 5.659 74.528 ( 2.749 -30.711 28.110) 41.724 74.756 ( -2.358 -40.409 30.155) 50.475 ======================= Grid point 282 (99/162) ======================= q-point: ( 0.40 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( 3.930 18.477 4.734) 19.474 3.955 ( -5.726 19.051 3.117) 20.136 4.345 ( 5.170 9.494 9.497) 14.389 4.465 ( -5.438 5.951 6.526) 10.371 5.199 ( 6.955 -2.227 2.078) 7.593 5.353 ( -7.543 -4.277 3.378) 9.306 6.333 ( 10.493 -8.495 8.570) 15.991 6.523 ( -7.109 -5.099 8.188) 11.982 7.280 ( 6.651 29.937 -6.013) 31.251 7.429 ( -6.054 30.543 -10.110) 32.737 8.000 ( 2.890 19.450 -10.036) 22.077 8.057 ( -2.088 22.953 -11.380) 25.704 9.140 ( 5.007 1.656 7.650) 9.292 9.261 ( -4.506 4.041 5.817) 8.394 9.601 ( 4.709 5.510 4.568) 8.567 9.822 ( -13.646 4.668 4.173) 15.014 11.106 ( 8.767 6.488 0.709) 10.929 11.243 ( -4.429 6.030 -4.038) 8.502 11.346 ( 13.843 -7.586 9.055) 18.198 11.610 ( -11.283 -6.212 9.042) 15.738 12.210 ( 7.799 13.363 -8.867) 17.833 12.394 ( -8.942 19.170 -9.583) 23.223 12.898 ( 5.264 7.433 -4.991) 10.385 13.019 ( -5.401 8.767 -5.731) 11.784 14.347 ( 8.588 6.409 -1.764) 10.860 14.534 ( -9.030 6.157 -6.538) 12.736 15.370 ( 3.208 11.177 -8.078) 14.159 15.460 ( -5.415 11.041 -8.057) 14.702 15.799 ( 4.415 6.509 -2.476) 8.246 15.867 ( -1.820 7.179 -2.704) 7.885 16.296 ( 2.469 -4.833 7.034) 8.884 16.348 ( -2.288 -8.457 2.940) 9.242 18.297 ( 1.544 -6.479 5.542) 8.665 18.324 ( -0.831 -6.286 5.037) 8.098 18.476 ( 2.155 -9.182 5.262) 10.800 18.521 ( -2.117 -8.180 8.003) 11.638 33.871 ( 4.779 3.533 -0.757) 5.991 33.965 ( -3.990 2.135 -2.143) 5.007 34.408 ( 1.777 4.879 6.829) 8.579 34.463 ( -3.354 4.935 6.010) 8.469 35.800 ( 3.781 12.860 -3.737) 13.916 35.867 ( -2.581 10.354 -5.388) 11.954 36.551 ( 1.376 -2.079 3.543) 4.333 36.582 ( -1.587 -1.454 3.009) 3.700 72.862 ( 0.382 -2.539 6.228) 6.736 72.874 ( -0.727 -2.338 5.632) 6.141 74.602 ( 4.234 -33.763 28.540) 44.411 74.689 ( -3.995 -37.453 29.321) 47.732 ======================= Grid point 285 (100/162) ======================= q-point: ( 0.00 0.35 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( 0.000 12.761 3.203) 13.156 4.454 ( 0.000 21.130 4.831) 21.675 4.589 ( 0.000 8.356 1.901) 8.569 4.615 ( 0.000 5.961 -6.197) 8.599 5.044 ( 0.000 -0.252 0.785) 0.824 5.346 ( 0.000 -10.541 -1.960) 10.721 5.859 ( 0.000 -10.693 12.273) 16.278 6.497 ( 0.000 -13.473 8.246) 15.796 7.673 ( 0.000 22.983 -1.494) 23.032 8.018 ( 0.000 22.765 -13.904) 26.675 8.233 ( 0.000 14.165 -10.865) 17.852 8.549 ( 0.000 19.732 -12.858) 23.552 9.101 ( 0.000 3.720 4.166) 5.585 9.340 ( 0.000 6.316 0.574) 6.342 10.027 ( 0.000 3.321 9.754) 10.304 10.166 ( 0.000 6.971 4.011) 8.043 10.822 ( 0.000 -5.831 10.433) 11.952 10.896 ( 0.000 1.415 4.504) 4.721 11.456 ( 0.000 1.544 -12.531) 12.626 11.847 ( 0.000 -6.433 -4.435) 7.814 12.017 ( 0.000 6.191 9.899) 11.676 12.680 ( 0.000 6.921 -1.224) 7.028 13.293 ( 0.000 16.976 -10.930) 20.191 13.304 ( 0.000 10.681 -4.446) 11.569 14.299 ( 0.000 7.805 5.794) 9.720 14.899 ( 0.000 10.167 -6.313) 11.967 15.477 ( 0.000 1.798 -12.620) 12.747 15.744 ( 0.000 4.069 -1.690) 4.406 15.794 ( 0.000 -1.349 -12.684) 12.755 15.971 ( 0.000 7.641 -1.176) 7.731 16.151 ( 0.000 -7.155 8.267) 10.934 16.263 ( 0.000 1.126 6.763) 6.856 18.122 ( 0.000 -6.645 4.371) 7.953 18.228 ( 0.000 -4.064 9.417) 10.257 18.256 ( 0.000 -7.249 -0.192) 7.252 18.436 ( 0.000 -6.554 8.348) 10.613 33.852 ( 0.000 5.413 -0.110) 5.414 34.048 ( 0.000 1.271 -3.005) 3.263 34.471 ( 0.000 2.083 7.396) 7.684 34.618 ( 0.000 -0.196 5.158) 5.162 35.972 ( 0.000 12.867 -0.965) 12.903 36.046 ( 0.000 6.191 -4.507) 7.658 36.492 ( 0.000 -0.667 4.731) 4.778 36.632 ( 0.000 0.945 2.537) 2.708 72.837 ( 0.000 0.989 8.416) 8.474 72.879 ( 0.000 0.849 7.083) 7.134 73.970 ( 0.000 -23.885 22.709) 32.958 74.086 ( 0.000 -29.276 24.558) 38.212 ======================= Grid point 286 (101/162) ======================= q-point: ( 0.20 0.35 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.079 ( 3.707 13.587 2.681) 14.337 4.441 ( -2.886 20.301 2.950) 20.717 4.533 ( -1.788 10.071 1.497) 10.337 4.627 ( -0.526 5.782 -1.384) 5.969 5.060 ( 1.984 -1.949 -0.174) 2.787 5.328 ( -2.318 -8.632 0.652) 8.961 5.926 ( 6.540 -11.825 9.760) 16.669 6.449 ( -4.779 -14.078 7.964) 16.866 7.712 ( 4.039 24.027 -3.551) 24.621 8.052 ( 1.529 24.837 -14.527) 28.814 8.235 ( 1.016 12.007 -10.903) 16.251 8.528 ( -2.232 18.831 -13.680) 23.383 9.122 ( 2.513 4.412 5.967) 7.835 9.377 ( 3.340 6.787 1.444) 7.701 9.827 ( -12.336 5.587 7.938) 15.698 10.142 ( -7.544 4.212 4.669) 9.821 10.924 ( 11.226 -5.009 10.125) 15.926 11.003 ( 7.828 0.292 4.933) 9.257 11.417 ( -3.709 1.207 -8.942) 9.756 11.709 ( -9.552 -4.684 3.881) 11.325 12.168 ( 10.793 5.869 1.004) 12.327 12.755 ( 6.337 8.902 -2.334) 11.174 13.113 ( -11.689 11.207 -7.133) 17.694 13.326 ( -2.668 12.462 -7.645) 14.861 14.351 ( 4.988 8.135 3.438) 10.143 14.841 ( -5.601 9.827 -6.291) 12.943 15.474 ( 0.308 1.809 -11.607) 11.751 15.711 ( -5.904 1.356 -10.294) 11.944 15.800 ( 4.564 3.667 -2.327) 6.300 16.003 ( 1.377 6.148 -2.608) 6.819 16.170 ( 1.723 -6.328 8.453) 10.699 16.263 ( -0.204 0.555 6.724) 6.750 18.134 ( 1.229 -6.328 4.233) 7.711 18.222 ( -0.563 -5.166 4.597) 6.938 18.276 ( 1.849 -6.527 4.543) 8.165 18.420 ( -1.521 -6.565 8.212) 10.623 33.882 ( 2.738 5.287 -0.154) 5.956 34.047 ( -0.335 1.959 -2.556) 3.238 34.461 ( -0.721 1.509 6.851) 7.052 34.582 ( -3.195 -0.246 5.131) 6.049 35.997 ( 2.123 12.544 -1.259) 12.785 36.053 ( 0.535 7.014 -4.030) 8.107 36.499 ( 0.679 -0.860 4.507) 4.639 36.614 ( -1.698 0.624 2.718) 3.265 72.840 ( 0.257 1.043 8.307) 8.376 72.874 ( -0.501 0.926 7.229) 7.306 73.982 ( 1.171 -24.448 22.826) 33.468 74.076 ( -0.929 -28.807 24.319) 37.711 ======================= Grid point 287 (102/162) ======================= q-point: ( 0.40 0.35 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( 6.315 15.464 1.492) 16.770 4.325 ( -7.062 17.118 0.564) 18.526 4.548 ( 2.085 11.384 4.334) 12.358 4.595 ( -2.217 7.925 2.161) 8.509 5.133 ( 4.970 -4.254 0.151) 6.543 5.245 ( -5.408 -6.054 1.884) 8.334 6.105 ( 10.110 -13.532 7.382) 18.434 6.306 ( -8.926 -14.402 7.367) 18.477 7.838 ( 7.870 24.864 -8.025) 27.286 7.998 ( -6.555 25.405 -12.540) 29.080 8.319 ( 6.502 12.553 -12.786) 19.061 8.450 ( -5.494 15.984 -14.351) 22.172 9.224 ( 7.587 6.762 7.816) 12.820 9.390 ( -5.735 8.499 5.887) 11.823 9.699 ( 3.972 4.233 4.870) 7.577 9.908 ( -13.117 3.879 4.068) 14.270 11.159 ( 8.474 -2.768 3.700) 9.652 11.217 ( 14.164 -2.861 8.954) 17.000 11.312 ( -6.452 -0.206 -2.322) 6.860 11.489 ( -12.028 -4.582 7.831) 15.066 12.426 ( 14.485 9.765 -3.213) 17.762 12.733 ( -13.398 14.705 -4.469) 20.389 13.021 ( 7.574 4.619 -6.218) 10.834 13.207 ( -8.430 9.077 -7.220) 14.339 14.494 ( 8.689 8.700 -1.241) 12.358 14.684 ( -9.208 9.186 -4.924) 13.907 15.506 ( 2.936 1.957 -10.350) 10.935 15.592 ( -5.274 2.118 -9.868) 11.388 15.907 ( 5.263 4.308 -2.145) 7.131 15.992 ( -2.581 5.171 -2.466) 6.284 16.213 ( 2.177 -3.684 8.093) 9.155 16.249 ( -1.253 -1.004 7.235) 7.411 18.168 ( 1.870 -5.938 3.467) 7.126 18.203 ( -1.386 -5.739 2.766) 6.520 18.324 ( 2.647 -6.474 6.975) 9.878 18.378 ( -2.504 -6.569 7.791) 10.494 33.953 ( 3.885 4.805 -0.466) 6.197 34.021 ( -2.384 3.595 -1.408) 4.537 34.460 ( 1.062 0.283 5.733) 5.837 34.508 ( -3.451 -0.292 5.150) 6.207 36.040 ( 1.747 11.316 -2.009) 11.625 36.059 ( -0.125 9.108 -2.996) 9.589 36.523 ( 1.799 -0.903 3.926) 4.412 36.569 ( -2.455 -0.203 3.231) 4.063 72.848 ( 0.539 1.112 8.004) 8.098 72.861 ( -0.689 1.065 7.592) 7.697 74.013 ( 1.775 -25.871 23.190) 34.788 74.049 ( -1.626 -27.534 23.759) 36.404 ======================= Grid point 290 (103/162) ======================= q-point: ( 0.00 0.41 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.310 ( 0.000 14.336 -2.373) 14.531 4.651 ( 0.000 3.425 -5.736) 6.680 4.711 ( 0.000 3.683 -1.146) 3.857 4.917 ( 0.000 19.573 0.435) 19.577 5.064 ( 0.000 2.762 0.868) 2.896 5.128 ( 0.000 -11.390 -5.055) 12.461 5.645 ( 0.000 -10.093 12.085) 15.746 6.181 ( 0.000 -17.482 7.204) 18.908 8.059 ( 0.000 15.425 -2.735) 15.665 8.282 ( 0.000 6.660 -9.208) 11.364 8.571 ( 0.000 17.099 -12.867) 21.400 8.838 ( 0.000 9.387 -11.437) 14.796 9.212 ( 0.000 6.973 -0.639) 7.003 9.433 ( 0.000 2.606 -0.742) 2.709 10.103 ( 0.000 4.211 8.192) 9.211 10.268 ( 0.000 2.806 1.039) 2.992 10.737 ( 0.000 -2.759 10.499) 10.855 10.865 ( 0.000 -3.967 8.598) 9.469 11.448 ( 0.000 -0.234 -1.874) 1.888 11.729 ( 0.000 -5.669 -4.777) 7.414 12.212 ( 0.000 12.115 2.212) 12.315 12.727 ( 0.000 -1.604 -2.294) 2.799 13.519 ( 0.000 10.274 -1.986) 10.464 13.566 ( 0.000 10.384 -7.514) 12.818 14.476 ( 0.000 10.467 3.197) 10.945 15.134 ( 0.000 12.989 -6.018) 14.315 15.357 ( 0.000 -12.929 -9.571) 16.086 15.724 ( 0.000 -4.553 -10.774) 11.697 15.810 ( 0.000 3.178 -1.145) 3.378 16.049 ( 0.000 -4.189 8.683) 9.641 16.118 ( 0.000 6.767 -0.004) 6.767 16.294 ( 0.000 1.005 4.397) 4.510 18.024 ( 0.000 -3.126 3.763) 4.891 18.139 ( 0.000 -4.701 7.415) 8.780 18.157 ( 0.000 -2.677 1.773) 3.211 18.311 ( 0.000 -5.979 6.755) 9.021 33.964 ( 0.000 5.713 -0.137) 5.715 34.081 ( 0.000 1.852 -1.753) 2.550 34.483 ( 0.000 -0.514 5.748) 5.771 34.574 ( 0.000 -3.647 4.558) 5.837 36.161 ( 0.000 5.359 -1.855) 5.671 36.185 ( 0.000 8.244 -0.232) 8.247 36.495 ( 0.000 1.071 4.525) 4.650 36.641 ( 0.000 -0.344 2.537) 2.560 72.895 ( 0.000 4.883 10.275) 11.376 72.931 ( 0.000 4.455 9.528) 10.518 73.555 ( 0.000 -18.145 18.452) 25.879 73.602 ( 0.000 -20.098 19.509) 28.009 ======================= Grid point 291 (104/162) ======================= q-point: ( 0.20 0.41 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.350 ( 3.813 13.702 -2.186) 14.389 4.673 ( -0.932 4.732 -2.260) 5.326 4.692 ( 0.661 6.084 -3.825) 7.217 4.895 ( -2.241 17.813 0.626) 17.964 5.015 ( -1.228 -2.635 -2.003) 3.531 5.178 ( 1.312 -4.743 0.544) 4.951 5.683 ( 4.122 -12.237 9.315) 15.922 6.130 ( -4.882 -17.426 6.823) 19.340 8.107 ( 4.686 15.679 -4.561) 16.988 8.345 ( 5.865 6.484 -10.182) 13.420 8.535 ( -3.829 16.560 -13.402) 21.645 8.803 ( -3.776 8.843 -14.061) 17.035 9.247 ( 4.097 7.754 3.098) 9.301 9.483 ( 4.871 3.311 0.109) 5.890 9.939 ( -11.665 5.841 6.952) 14.782 10.200 ( -8.800 0.889 1.862) 9.039 10.842 ( 10.206 -2.711 10.846) 15.138 10.966 ( 8.188 -3.827 8.231) 12.225 11.400 ( -4.538 -0.837 0.048) 4.615 11.630 ( -8.403 -4.122 -0.715) 9.387 12.341 ( 11.213 10.985 -0.527) 15.706 12.825 ( 9.057 -0.986 -3.337) 9.702 13.337 ( -14.193 11.046 -3.047) 18.241 13.530 ( -6.076 7.222 -6.096) 11.236 14.537 ( 5.731 10.945 1.247) 12.417 15.066 ( -6.368 12.478 -6.059) 15.263 15.371 ( 1.618 -11.458 -9.084) 14.711 15.670 ( -4.895 -4.582 -10.144) 12.159 15.865 ( 4.925 3.352 -0.439) 5.974 16.084 ( 3.486 -2.909 7.763) 8.993 16.124 ( -0.122 5.672 -0.110) 5.674 16.287 ( -0.879 0.848 4.421) 4.587 18.040 ( 1.508 -3.035 3.669) 4.995 18.137 ( -0.503 -3.079 4.109) 5.159 18.169 ( 1.306 -4.533 5.031) 6.897 18.296 ( -1.442 -5.905 6.738) 9.074 33.993 ( 2.654 5.781 0.005) 6.361 34.095 ( 1.080 2.654 -1.374) 3.178 34.459 ( -2.004 -1.292 5.212) 5.731 34.537 ( -3.325 -3.767 4.272) 6.595 36.182 ( 1.859 5.972 -1.453) 6.421 36.210 ( 2.081 8.648 -0.244) 8.898 36.492 ( -0.121 0.230 4.337) 4.345 36.618 ( -2.183 -0.521 2.633) 3.460 72.898 ( 0.282 4.880 10.211) 11.321 72.927 ( -0.362 4.535 9.606) 10.629 73.560 ( 0.480 -18.369 18.529) 26.095 73.598 ( -0.378 -19.949 19.382) 27.817 ======================= Grid point 292 (105/162) ======================= q-point: ( 0.40 0.41 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.455 ( 6.147 11.970 -1.790) 13.575 4.583 ( -5.940 9.194 -1.381) 11.033 4.754 ( 3.622 8.980 -3.134) 10.178 4.830 ( -3.750 12.615 -1.150) 13.211 5.051 ( 4.183 -2.082 0.785) 4.738 5.146 ( -4.005 -2.253 2.926) 5.448 5.816 ( 8.355 -15.407 6.010) 18.529 5.992 ( -8.222 -16.933 5.965) 19.746 8.241 ( 8.047 15.938 -8.701) 19.861 8.411 ( -7.752 16.321 -12.638) 22.050 8.502 ( 8.739 6.102 -12.379) 16.335 8.680 ( -7.966 7.314 -14.994) 18.487 9.391 ( 9.552 9.438 5.708) 14.591 9.569 ( -2.703 8.652 3.510) 9.720 9.762 ( 0.953 2.152 4.561) 5.133 9.959 ( -12.971 0.823 2.668) 13.268 11.074 ( 10.817 -3.456 8.759) 14.341 11.170 ( 11.352 -3.322 7.956) 14.255 11.271 ( -7.616 -2.264 3.724) 8.775 11.422 ( -11.601 -3.450 4.181) 12.805 12.630 ( 16.580 10.987 -2.302) 20.023 12.989 ( -16.343 11.598 -2.419) 20.185 13.069 ( 11.427 -0.069 -5.492) 12.678 13.334 ( -12.216 3.204 -6.128) 14.038 14.694 ( 9.242 11.507 -2.241) 14.928 14.895 ( -9.776 11.869 -4.941) 16.151 15.433 ( 4.535 -8.675 -8.630) 13.050 15.548 ( -6.368 -6.052 -9.019) 12.591 15.985 ( 6.103 4.066 0.176) 7.335 16.088 ( -3.554 4.822 -0.051) 5.990 16.173 ( 4.551 -1.198 6.028) 7.647 16.250 ( -2.799 0.192 4.817) 5.575 18.079 ( 2.074 -2.848 3.280) 4.814 18.116 ( -1.503 -2.664 2.913) 4.224 18.207 ( 2.311 -5.438 6.427) 8.731 18.256 ( -2.339 -5.723 6.664) 9.090 34.060 ( 3.403 5.880 0.164) 6.796 34.106 ( -0.640 4.834 -0.413) 4.894 34.427 ( -0.332 -3.315 4.123) 5.301 34.461 ( -3.378 -4.079 3.781) 6.507 36.225 ( 1.973 7.591 -0.685) 7.873 36.243 ( 0.501 9.062 -0.314) 9.081 36.504 ( 1.726 -1.255 3.730) 4.297 36.560 ( -3.227 -1.065 2.995) 4.530 72.906 ( 0.495 4.836 10.035) 11.151 72.917 ( -0.545 4.704 9.805) 10.888 73.573 ( 0.728 -18.918 18.753) 26.647 73.587 ( -0.665 -19.521 19.077) 27.303 ======================= Grid point 295 (106/162) ======================= q-point: ( 0.00 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.595 ( 0.000 13.786 -5.901) 14.995 4.700 ( 0.000 1.470 -6.590) 6.751 4.743 ( 0.000 0.485 -4.774) 4.799 4.890 ( 0.000 -12.629 -6.994) 14.436 5.151 ( 0.000 5.422 2.500) 5.971 5.205 ( 0.000 4.799 0.275) 4.807 5.552 ( 0.000 5.523 11.486) 12.745 5.828 ( 0.000 -17.667 7.247) 19.096 8.281 ( 0.000 7.132 -3.742) 8.054 8.348 ( 0.000 0.134 -5.753) 5.754 8.834 ( 0.000 9.134 -12.400) 15.401 8.927 ( 0.000 -0.200 -11.045) 11.047 9.349 ( 0.000 6.179 -3.274) 6.993 9.436 ( 0.000 -2.294 -2.421) 3.336 10.191 ( 0.000 4.594 5.023) 6.807 10.268 ( 0.000 -2.522 1.532) 2.951 10.717 ( 0.000 0.932 11.112) 11.151 10.773 ( 0.000 -4.406 10.720) 11.590 11.493 ( 0.000 4.785 -0.252) 4.792 11.611 ( 0.000 -6.366 -3.012) 7.042 12.451 ( 0.000 11.257 -0.928) 11.296 12.637 ( 0.000 -7.252 -1.910) 7.499 13.676 ( 0.000 4.862 -2.238) 5.352 13.697 ( 0.000 2.784 -4.404) 5.210 14.725 ( 0.000 14.736 0.178) 14.737 15.046 ( 0.000 -17.032 -3.714) 17.432 15.389 ( 0.000 12.237 -7.369) 14.284 15.598 ( 0.000 -8.553 -9.748) 12.969 15.880 ( 0.000 3.950 1.388) 4.186 15.964 ( 0.000 -4.403 5.491) 7.038 16.229 ( 0.000 4.377 1.120) 4.518 16.289 ( 0.000 -1.635 2.417) 2.918 18.002 ( 0.000 0.915 4.238) 4.336 18.052 ( 0.000 -3.809 5.616) 6.786 18.147 ( 0.000 1.455 3.592) 3.875 18.207 ( 0.000 -4.384 5.188) 6.792 34.065 ( 0.000 3.967 -0.266) 3.976 34.105 ( 0.000 -0.030 -0.796) 0.796 34.471 ( 0.000 -0.049 4.549) 4.550 34.500 ( 0.000 -3.092 4.187) 5.205 36.250 ( 0.000 3.366 0.091) 3.367 36.278 ( 0.000 1.110 0.627) 1.275 36.542 ( 0.000 3.560 3.329) 4.874 36.611 ( 0.000 -2.755 2.638) 3.814 73.030 ( 0.000 8.662 12.490) 15.200 73.057 ( 0.000 8.282 12.312) 14.839 73.248 ( 0.000 -12.893 15.069) 19.832 73.275 ( 0.000 -13.313 15.467) 20.408 ======================= Grid point 296 (107/162) ======================= q-point: ( 0.20 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.609 ( 1.712 11.870 -5.338) 13.127 4.743 ( 0.275 0.198 -4.561) 4.573 4.753 ( 3.878 2.472 -6.425) 7.901 4.874 ( -1.500 -8.785 -6.190) 10.851 5.159 ( 0.700 6.957 2.595) 7.458 5.244 ( 3.621 4.717 0.941) 6.021 5.518 ( -2.697 1.636 10.246) 10.721 5.778 ( -4.764 -17.680 6.634) 19.475 8.334 ( 5.056 7.385 -5.391) 10.447 8.406 ( 5.508 -0.130 -7.126) 9.008 8.789 ( -4.581 8.847 -13.411) 16.706 8.883 ( -4.587 -0.550 -13.448) 14.219 9.400 ( 5.400 6.922 0.032) 8.779 9.495 ( 5.816 -2.266 -0.822) 6.296 10.058 ( -10.542 6.100 4.452) 12.968 10.165 ( -9.583 -4.142 1.902) 10.612 10.825 ( 9.478 1.056 11.098) 14.632 10.880 ( 8.785 -4.167 10.311) 14.173 11.430 ( -5.928 3.921 1.931) 7.365 11.532 ( -7.214 -5.578 -0.189) 9.121 12.565 ( 10.482 10.794 -2.060) 15.187 12.743 ( 9.906 -6.899 -2.874) 12.408 13.522 ( -13.080 7.051 -2.679) 15.099 13.598 ( -10.015 -0.350 -4.025) 10.799 14.787 ( 5.764 14.259 -1.148) 15.423 15.088 ( 4.093 -15.595 -4.301) 16.687 15.316 ( -6.699 12.160 -6.844) 15.479 15.532 ( -6.081 -9.279 -8.620) 14.050 15.940 ( 5.387 4.120 1.552) 6.957 16.019 ( 4.980 -3.709 4.515) 7.677 16.223 ( -0.883 4.087 1.031) 4.306 16.280 ( -1.036 -1.593 2.361) 3.031 18.019 ( 1.571 0.899 4.195) 4.569 18.068 ( 1.467 -3.681 5.544) 6.815 18.137 ( -0.989 1.194 3.637) 3.954 18.194 ( -1.282 -4.274 5.217) 6.865 34.097 ( 3.004 4.147 0.068) 5.121 34.133 ( 2.695 0.566 -0.411) 2.784 34.432 ( -3.551 -0.624 3.988) 5.376 34.459 ( -3.773 -3.300 3.687) 6.222 36.281 ( 2.852 3.800 0.458) 4.773 36.313 ( 3.196 1.298 0.830) 3.548 36.521 ( -2.005 2.963 3.178) 4.785 36.585 ( -2.409 -2.781 2.566) 4.486 73.033 ( 0.281 8.697 12.462) 15.199 73.055 ( -0.208 8.413 12.313) 14.914 73.251 ( 0.212 -13.027 15.115) 19.955 73.272 ( -0.264 -13.345 15.431) 20.403 ======================= Grid point 297 (108/162) ======================= q-point: ( 0.40 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.665 ( 3.465 9.456 -4.395) 10.988 4.728 ( -2.031 5.915 -4.055) 7.453 4.824 ( 2.031 -2.918 -6.177) 7.127 4.844 ( -0.920 -6.192 -5.823) 8.550 5.200 ( 3.759 12.677 4.226) 13.882 5.282 ( -2.167 14.627 4.425) 15.435 5.511 ( 4.117 -14.265 5.583) 15.862 5.648 ( -7.486 -17.598 5.162) 19.808 8.475 ( 8.359 7.875 -9.258) 14.751 8.557 ( 8.765 -0.505 -10.496) 13.684 8.653 ( -8.245 8.251 -12.881) 17.377 8.743 ( -8.612 -0.801 -13.805) 16.290 9.568 ( 10.525 7.748 2.712) 13.348 9.665 ( 9.843 -0.800 1.267) 9.956 9.822 ( -11.239 5.291 3.662) 12.951 9.927 ( -12.631 -4.029 2.047) 13.415 11.047 ( 11.275 0.731 9.693) 14.887 11.095 ( 11.839 -3.718 8.988) 15.322 11.266 ( -9.755 2.094 6.209) 11.751 11.339 ( -11.222 -4.575 4.971) 13.099 12.845 ( 16.229 10.126 -3.079) 19.376 13.008 ( 15.115 -5.892 -4.201) 16.758 13.198 ( -17.545 8.941 -2.951) 19.912 13.327 ( -15.403 -3.761 -4.412) 16.458 14.943 ( 9.061 13.334 -3.523) 16.501 15.139 ( -9.435 12.251 -5.679) 16.473 15.209 ( 7.030 -12.776 -5.309) 15.518 15.375 ( -8.550 -10.841 -6.893) 15.432 16.068 ( 6.413 4.120 1.464) 7.762 16.137 ( 5.803 -2.643 3.246) 7.155 16.177 ( -3.851 3.907 1.125) 5.600 16.235 ( -3.523 -1.861 2.517) 4.712 18.060 ( 2.249 0.942 4.046) 4.724 18.098 ( -0.297 -0.112 4.570) 4.581 18.116 ( 0.679 -2.684 4.631) 5.396 18.157 ( -2.156 -4.073 5.277) 7.006 34.176 ( 4.222 5.351 0.876) 6.872 34.200 ( 2.866 3.833 0.599) 4.823 34.347 ( -3.563 -3.663 2.757) 5.806 34.366 ( -4.494 -4.747 2.579) 7.027 36.353 ( 3.769 5.160 1.164) 6.495 36.385 ( 2.484 4.148 1.099) 4.958 36.474 ( -1.426 -0.901 2.866) 3.325 36.518 ( -3.852 -3.127 2.430) 5.525 73.040 ( 0.427 8.734 12.396) 15.170 73.049 ( -0.382 8.639 12.336) 15.066 73.257 ( 0.379 -13.264 15.221) 20.194 73.265 ( -0.410 -13.373 15.339) 20.354 ======================= Grid point 340 (109/162) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 0.000 0.000 24.586) 24.586 2.789 ( 0.000 0.000 25.122) 25.122 3.530 ( 0.000 0.000 -8.551) 8.551 3.894 ( 0.000 0.000 -6.887) 6.887 3.953 ( 0.000 0.000 10.379) 10.379 4.440 ( 0.000 0.000 31.963) 31.963 4.537 ( 0.000 0.000 -7.406) 7.406 4.772 ( 0.000 0.000 11.911) 11.911 6.165 ( 0.000 0.000 12.600) 12.600 6.634 ( 0.000 0.000 2.129) 2.129 7.743 ( 0.000 0.000 16.178) 16.178 8.049 ( 0.000 0.000 -0.356) 0.356 8.343 ( 0.000 0.000 -1.970) 1.970 8.414 ( 0.000 0.000 -3.917) 3.917 9.732 ( 0.000 0.000 8.701) 8.701 9.888 ( 0.000 0.000 1.304) 1.304 9.904 ( 0.000 0.000 -18.819) 18.819 10.081 ( 0.000 0.000 -4.528) 4.528 10.451 ( 0.000 0.000 7.713) 7.713 10.980 ( 0.000 0.000 -24.753) 24.753 12.002 ( 0.000 0.000 -5.295) 5.295 12.118 ( 0.000 0.000 -3.120) 3.120 12.637 ( 0.000 0.000 0.394) 0.394 12.769 ( 0.000 0.000 9.183) 9.183 13.007 ( 0.000 0.000 9.973) 9.973 13.377 ( 0.000 0.000 -9.158) 9.158 13.581 ( 0.000 0.000 -19.595) 19.595 13.604 ( 0.000 0.000 -8.840) 8.840 15.688 ( 0.000 0.000 18.844) 18.844 16.403 ( 0.000 0.000 7.733) 7.733 16.697 ( 0.000 0.000 -12.008) 12.008 17.099 ( 0.000 0.000 -12.481) 12.481 18.888 ( 0.000 0.000 12.714) 12.714 19.104 ( 0.000 0.000 8.457) 8.457 19.377 ( 0.000 0.000 -0.865) 0.865 19.539 ( 0.000 0.000 1.112) 1.112 33.458 ( 0.000 0.000 10.725) 10.725 33.509 ( 0.000 0.000 9.107) 9.107 34.070 ( 0.000 0.000 -7.722) 7.722 34.128 ( 0.000 0.000 -9.394) 9.394 34.347 ( 0.000 0.000 4.823) 4.823 34.923 ( 0.000 0.000 -14.283) 14.283 36.884 ( 0.000 0.000 2.581) 2.581 36.982 ( 0.000 0.000 0.056) 0.056 73.344 ( 0.000 0.000 1.911) 1.911 73.556 ( 0.000 0.000 -3.393) 3.393 78.037 ( 0.000 0.000 46.488) 46.488 80.387 ( 0.000 0.000 -31.581) 31.581 ======================= Grid point 341 (110/162) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 7.801 0.000 22.415) 23.734 2.795 ( 1.709 0.000 23.037) 23.100 3.377 ( -12.269 0.000 -0.072) 12.270 3.636 ( -20.610 0.000 -0.754) 20.624 4.071 ( 8.854 0.000 3.130) 9.391 4.503 ( -3.291 0.000 -7.028) 7.760 4.516 ( 8.771 0.000 26.356) 27.777 4.934 ( 7.723 0.000 8.385) 11.400 6.181 ( 6.124 0.000 17.496) 18.536 6.817 ( 12.396 0.000 0.070) 12.396 7.637 ( -8.496 0.000 17.111) 19.104 7.994 ( -5.519 0.000 -0.400) 5.534 8.349 ( 0.567 0.000 -2.121) 2.195 8.406 ( -0.718 0.000 -3.688) 3.757 9.743 ( 1.357 0.000 7.040) 7.170 9.907 ( 1.806 0.000 0.713) 1.942 9.912 ( 0.085 0.000 -14.740) 14.740 10.063 ( -1.693 0.000 -3.996) 4.340 10.420 ( -1.705 0.000 4.917) 5.204 10.866 ( -9.917 0.000 -20.660) 22.917 12.021 ( 3.963 0.000 -2.643) 4.763 12.331 ( 16.485 0.000 -7.464) 18.096 12.553 ( -7.366 0.000 -2.000) 7.633 12.785 ( 1.625 0.000 9.084) 9.228 12.973 ( -2.962 0.000 9.346) 9.804 13.410 ( 2.875 0.000 -8.587) 9.055 13.457 ( -11.664 0.000 -19.718) 22.910 13.588 ( -1.507 0.000 -8.707) 8.836 15.780 ( 8.347 0.000 16.810) 18.768 16.325 ( -6.049 0.000 5.472) 8.157 16.758 ( 4.339 0.000 -8.095) 9.185 17.052 ( -4.297 0.000 -10.660) 11.493 18.918 ( 2.566 0.000 11.658) 11.937 19.081 ( -2.070 0.000 9.341) 9.568 19.402 ( 2.715 0.000 -0.367) 2.740 19.554 ( 0.833 0.000 0.219) 0.861 33.463 ( 0.425 0.000 10.582) 10.591 33.504 ( -0.496 0.000 9.275) 9.289 34.076 ( 0.556 0.000 -7.895) 7.915 34.123 ( -0.486 0.000 -9.246) 9.259 34.416 ( 6.417 0.000 2.112) 6.756 34.880 ( -4.115 0.000 -13.098) 13.729 36.891 ( 0.663 0.000 2.303) 2.396 36.971 ( -1.081 0.000 0.255) 1.111 73.346 ( 0.403 0.000 2.075) 2.114 73.516 ( -3.564 0.000 -1.886) 4.032 78.222 ( 17.768 0.000 40.458) 44.188 80.107 ( -25.763 0.000 -21.216) 33.374 ======================= Grid point 342 (111/162) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 12.883 0.000 16.794) 21.167 2.908 ( 10.096 0.000 16.545) 19.382 3.096 ( -14.445 0.000 9.182) 17.117 3.211 ( -19.021 0.000 7.883) 20.590 4.253 ( 8.465 0.000 -2.728) 8.894 4.405 ( -6.238 0.000 -5.684) 8.439 4.743 ( 11.772 0.000 16.960) 20.645 4.941 ( -6.313 0.000 9.495) 11.402 6.477 ( 20.603 0.000 19.160) 28.136 6.864 ( -12.083 0.000 10.005) 15.688 7.590 ( 7.730 0.000 8.074) 11.178 7.821 ( -11.284 0.000 0.608) 11.300 8.365 ( 0.983 0.000 -2.545) 2.728 8.387 ( -1.075 0.000 -3.138) 3.317 9.794 ( 3.628 0.000 3.576) 5.094 9.876 ( -3.614 0.000 -4.013) 5.401 9.957 ( 2.856 0.000 -0.792) 2.964 10.016 ( -2.787 0.000 -2.586) 3.802 10.451 ( 5.670 0.000 -4.706) 7.368 10.636 ( -11.356 0.000 -13.488) 17.632 12.156 ( 8.648 0.000 -1.469) 8.771 12.353 ( -10.056 0.000 0.482) 10.068 12.732 ( 20.362 0.000 -17.090) 26.583 12.833 ( 2.963 0.000 8.876) 9.357 12.902 ( -3.645 0.000 8.832) 9.555 13.138 ( -18.635 0.000 -19.172) 26.736 13.478 ( 3.487 0.000 -8.209) 8.919 13.544 ( -2.786 0.000 -8.399) 8.849 15.985 ( 10.671 0.000 11.835) 15.935 16.182 ( -8.201 0.000 6.873) 10.700 16.845 ( 4.345 0.000 -5.791) 7.240 16.946 ( -5.496 0.000 -7.313) 9.148 18.975 ( 2.835 0.000 10.496) 10.872 19.031 ( -2.628 0.000 10.191) 10.524 19.479 ( 4.191 0.000 -0.151) 4.194 19.546 ( -1.944 0.000 -0.359) 1.977 33.475 ( 0.718 0.000 10.198) 10.224 33.490 ( -0.761 0.000 9.700) 9.730 34.091 ( 0.859 0.000 -8.333) 8.378 34.109 ( -0.816 0.000 -8.848) 8.886 34.582 ( 9.065 0.000 -3.861) 9.853 34.758 ( -7.660 0.000 -9.521) 12.220 36.912 ( 1.321 0.000 1.608) 2.081 36.942 ( -1.579 0.000 0.823) 1.780 73.369 ( 2.072 0.000 2.040) 2.908 73.433 ( -3.999 0.000 0.720) 4.064 78.734 ( 31.390 0.000 24.293) 39.692 79.444 ( -36.188 0.000 1.614) 36.224 ======================= Grid point 345 (112/162) ======================= q-point: ( 0.00 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 0.000 29.896 21.411) 36.772 2.850 ( 0.000 6.298 23.347) 24.182 3.750 ( 0.000 20.222 -6.263) 21.169 3.917 ( 0.000 2.907 -6.085) 6.744 4.152 ( 0.000 17.941 10.539) 20.807 4.491 ( 0.000 6.073 29.106) 29.733 4.699 ( 0.000 13.178 -3.415) 13.614 4.829 ( 0.000 8.770 6.387) 10.849 6.181 ( 0.000 2.081 11.167) 11.359 6.602 ( 0.000 -3.083 2.070) 3.714 7.702 ( 0.000 -3.694 15.085) 15.531 8.020 ( 0.000 -2.963 -0.440) 2.996 8.492 ( 0.000 13.436 0.119) 13.436 8.636 ( 0.000 21.332 -4.105) 21.723 9.677 ( 0.000 -4.882 8.534) 9.832 9.830 ( 0.000 -0.927 -8.848) 8.896 10.078 ( 0.000 12.337 -8.170) 14.797 10.111 ( 0.000 2.208 -4.805) 5.288 10.474 ( 0.000 2.953 5.521) 6.261 10.978 ( 0.000 0.641 -20.521) 20.531 12.046 ( 0.000 4.756 -5.733) 7.449 12.053 ( 0.000 -6.534 1.206) 6.644 12.531 ( 0.000 -7.157 -3.659) 8.038 12.834 ( 0.000 -0.620 2.916) 2.981 13.056 ( 0.000 11.774 9.286) 14.995 13.609 ( 0.000 19.166 -8.607) 21.010 13.711 ( 0.000 11.668 -15.257) 19.207 13.756 ( 0.000 15.283 -8.401) 17.440 15.659 ( 0.000 -2.772 18.885) 19.087 16.339 ( 0.000 -6.151 7.891) 10.005 16.674 ( 0.000 -2.222 -11.372) 11.587 17.025 ( 0.000 -7.240 -12.499) 14.445 18.855 ( 0.000 -3.210 12.441) 12.848 19.063 ( 0.000 -4.007 7.952) 8.904 19.316 ( 0.000 -6.021 -0.510) 6.043 19.461 ( 0.000 -7.360 2.154) 7.669 33.504 ( 0.000 4.190 10.066) 10.903 33.605 ( 0.000 9.212 8.075) 12.251 34.046 ( 0.000 -0.960 -4.073) 4.185 34.111 ( 0.000 -1.550 -9.043) 9.175 34.457 ( 0.000 9.826 2.001) 10.027 34.978 ( 0.000 5.493 -13.784) 14.838 36.863 ( 0.000 -2.126 2.584) 3.346 36.954 ( 0.000 -2.779 0.215) 2.787 73.313 ( 0.000 -3.051 1.952) 3.622 73.501 ( 0.000 -5.371 -2.581) 5.959 77.843 ( 0.000 -19.227 44.850) 48.797 79.945 ( 0.000 -42.503 -22.421) 48.054 ======================= Grid point 346 (113/162) ======================= q-point: ( 0.20 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 0.867 8.044 21.714) 23.173 2.924 ( 6.753 26.247 19.495) 33.385 3.567 ( -15.043 13.841 1.842) 20.524 3.722 ( -15.213 12.616 -1.933) 19.857 4.270 ( 8.639 18.734 3.600) 20.942 4.552 ( 7.567 4.682 23.740) 25.353 4.686 ( -2.337 16.597 -5.159) 17.537 4.962 ( 6.838 3.790 6.620) 10.244 6.194 ( 5.783 1.770 16.123) 17.220 6.787 ( 12.545 -2.889 0.026) 12.874 7.599 ( -8.232 -3.344 15.953) 18.261 7.963 ( -5.721 -3.148 -0.495) 6.549 8.504 ( 1.239 14.173 -0.233) 14.229 8.623 ( -1.260 20.787 -3.560) 21.127 9.670 ( -0.503 -6.042 6.816) 9.122 9.801 ( -2.930 -4.764 -7.375) 9.256 10.089 ( 1.935 11.364 -2.782) 11.858 10.149 ( 2.715 7.432 -7.695) 11.037 10.461 ( -0.683 4.349 3.023) 5.340 10.880 ( -8.815 2.170 -17.757) 19.943 12.003 ( 1.954 -2.149 -0.318) 2.922 12.255 ( 11.322 -5.440 -2.820) 12.874 12.471 ( -4.108 -4.922 -6.184) 8.908 12.837 ( -0.340 -2.741 0.905) 2.906 13.063 ( 1.162 14.962 8.241) 17.121 13.578 ( -8.666 14.861 -12.581) 21.313 13.629 ( -0.460 15.699 -9.467) 18.338 13.752 ( -1.368 15.628 -9.175) 18.174 15.751 ( 8.315 -2.765 16.885) 19.023 16.272 ( -5.384 -5.187 6.288) 9.769 16.726 ( 3.756 -3.096 -8.206) 9.541 16.984 ( -3.771 -6.658 -10.848) 13.275 18.882 ( 2.375 -3.465 11.430) 12.178 19.040 ( -2.081 -4.027 8.837) 9.932 19.340 ( 2.552 -6.083 -0.037) 6.596 19.476 ( 0.815 -7.482 1.206) 7.622 33.513 ( 0.878 4.673 9.944) 11.022 33.593 ( -1.035 8.624 8.441) 12.112 34.056 ( 0.863 -0.906 -5.071) 5.223 34.106 ( -0.413 -1.429 -8.773) 8.898 34.517 ( 5.585 9.208 0.125) 10.770 34.939 ( -3.857 5.730 -12.696) 14.453 36.869 ( 0.624 -2.162 2.321) 3.233 36.943 ( -1.001 -2.695 0.400) 2.903 73.314 ( 0.318 -3.123 2.118) 3.787 73.465 ( -3.192 -4.972 -1.265) 6.043 78.011 ( 16.195 -20.776 39.454) 47.440 79.700 ( -22.641 -39.287 -13.845) 47.411 ======================= Grid point 347 (114/162) ======================= q-point: ( 0.40 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 8.132 5.402 16.451) 19.130 3.084 ( 3.792 16.104 13.737) 21.504 3.255 ( -8.476 16.374 9.641) 20.807 3.419 ( -13.834 24.015 6.759) 28.527 4.442 ( 7.894 17.728 -1.588) 19.471 4.583 ( -5.594 16.304 -3.914) 17.676 4.779 ( 11.003 4.742 14.505) 18.814 4.967 ( -5.905 3.353 7.892) 10.411 6.477 ( 19.707 0.311 18.149) 26.793 6.845 ( -11.212 -1.631 9.557) 14.823 7.552 ( 7.613 -3.508 7.372) 11.163 7.785 ( -11.490 -3.525 0.368) 12.024 8.541 ( 2.206 16.373 -1.109) 16.559 8.587 ( -2.163 19.007 -2.331) 19.271 9.673 ( 1.263 -8.202 2.994) 8.822 9.726 ( -3.682 -8.634 -2.139) 9.627 10.150 ( 3.250 13.752 -1.422) 14.202 10.188 ( 0.185 11.775 -4.291) 12.534 10.492 ( 4.948 4.514 -4.895) 8.296 10.665 ( -10.874 3.754 -12.285) 16.830 12.102 ( 7.060 -4.737 0.155) 8.504 12.263 ( -7.718 -7.434 1.231) 10.786 12.590 ( 12.092 -5.951 -10.097) 16.840 12.781 ( -5.894 -6.815 -3.298) 9.595 13.136 ( 6.685 19.449 1.912) 20.655 13.339 ( -12.358 16.741 -8.524) 22.486 13.658 ( 2.220 16.230 -8.597) 18.500 13.709 ( -2.519 15.637 -8.809) 18.124 15.954 ( 10.350 -3.133 12.165) 16.277 16.141 ( -7.669 -4.029 7.597) 11.522 16.801 ( 3.789 -4.178 -6.133) 8.332 16.890 ( -4.844 -5.403 -7.684) 10.568 18.937 ( 2.722 -3.794 10.205) 11.223 18.990 ( -2.569 -3.954 9.752) 10.832 19.411 ( 3.766 -6.666 0.303) 7.662 19.470 ( -1.677 -7.327 0.388) 7.526 33.537 ( 1.380 5.861 9.617) 11.347 33.567 ( -1.463 7.309 9.097) 11.760 34.076 ( 0.988 -0.919 -6.716) 6.850 34.094 ( -0.767 -1.147 -7.983) 8.101 34.664 ( 8.172 7.804 -4.580) 12.192 34.825 ( -7.074 6.498 -9.469) 13.488 36.888 ( 1.233 -2.287 1.663) 3.085 36.917 ( -1.466 -2.494 0.927) 3.038 73.334 ( 1.815 -3.443 2.132) 4.438 73.391 ( -3.569 -4.132 1.007) 5.552 78.476 ( 28.364 -25.289 25.112) 45.548 79.113 ( -32.248 -32.169 5.420) 45.871 ======================= Grid point 350 (115/162) ======================= q-point: ( 0.00 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 0.000 12.520 19.389) 23.080 3.462 ( 0.000 25.929 16.582) 30.778 4.020 ( 0.000 7.596 -0.729) 7.631 4.183 ( 0.000 18.686 0.544) 18.693 4.570 ( 0.000 24.221 11.962) 27.013 4.748 ( 0.000 19.988 18.044) 26.928 4.947 ( 0.000 17.258 3.159) 17.545 5.234 ( 0.000 27.438 -6.738) 28.253 6.284 ( 0.000 9.680 7.120) 12.017 6.523 ( 0.000 -4.465 2.713) 5.224 7.616 ( 0.000 -4.573 12.605) 13.409 7.929 ( 0.000 -6.324 -0.372) 6.334 8.783 ( 0.000 13.671 2.719) 13.939 9.162 ( 0.000 26.915 -4.798) 27.339 9.586 ( 0.000 -1.228 8.347) 8.437 9.861 ( 0.000 4.092 -4.727) 6.252 10.135 ( 0.000 -0.196 -4.657) 4.661 10.329 ( 0.000 10.675 -7.224) 12.889 10.641 ( 0.000 16.772 -2.455) 16.951 11.050 ( 0.000 7.534 -13.584) 15.533 11.876 ( 0.000 -10.614 7.903) 13.233 12.197 ( 0.000 10.356 -7.322) 12.683 12.437 ( 0.000 -2.041 -6.904) 7.199 12.734 ( 0.000 -6.930 -1.787) 7.156 13.438 ( 0.000 22.808 6.547) 23.729 13.984 ( 0.000 14.689 -10.013) 17.777 14.016 ( 0.000 21.447 -8.701) 23.145 14.181 ( 0.000 25.628 -8.585) 27.028 15.590 ( 0.000 -3.709 18.246) 18.619 16.183 ( 0.000 -8.904 8.624) 12.396 16.611 ( 0.000 -4.017 -9.310) 10.140 16.833 ( 0.000 -11.522 -12.558) 17.043 18.769 ( 0.000 -5.163 11.418) 12.531 18.951 ( 0.000 -7.185 6.782) 9.880 19.149 ( 0.000 -10.544 0.368) 10.550 19.276 ( 0.000 -10.591 3.798) 11.251 33.594 ( 0.000 4.160 7.240) 8.350 33.834 ( 0.000 12.085 4.558) 12.916 34.079 ( 0.000 4.852 1.423) 5.056 34.086 ( 0.000 0.380 -6.440) 6.451 34.699 ( 0.000 14.097 -0.292) 14.100 35.130 ( 0.000 9.502 -12.609) 15.788 36.804 ( 0.000 -3.661 2.608) 4.495 36.878 ( 0.000 -4.674 0.618) 4.715 73.231 ( 0.000 -4.986 2.133) 5.423 73.360 ( 0.000 -8.349 -0.588) 8.370 77.310 ( 0.000 -33.461 40.404) 52.461 78.845 ( 0.000 -64.834 -4.097) 64.964 ======================= Grid point 351 (116/162) ======================= q-point: ( 0.20 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( -0.296 11.767 18.051) 21.550 3.457 ( -2.780 18.568 11.984) 22.273 3.841 ( -9.575 18.945 7.125) 22.391 4.141 ( -5.041 21.832 1.838) 22.481 4.718 ( 7.225 23.149 5.544) 24.876 4.763 ( 6.445 19.965 16.710) 26.822 4.996 ( 1.565 13.426 2.203) 13.695 5.235 ( -0.169 25.455 -4.955) 25.933 6.282 ( 4.618 8.134 12.154) 15.336 6.718 ( 13.072 -3.324 0.146) 13.489 7.522 ( -7.727 -4.017 13.138) 15.762 7.869 ( -6.013 -6.416 -0.475) 8.806 8.819 ( 3.552 15.117 2.383) 15.710 9.140 ( -2.390 27.707 -3.639) 28.047 9.547 ( -2.948 -4.679 6.632) 8.635 9.731 ( -8.873 -2.008 -3.000) 9.579 10.263 ( 8.860 6.643 -4.677) 12.021 10.379 ( 4.075 13.100 -6.518) 15.189 10.631 ( -0.668 15.241 -3.348) 15.618 10.991 ( -5.836 9.637 -12.306) 16.684 11.892 ( 2.206 -9.146 6.421) 11.391 12.213 ( -0.736 1.686 -5.101) 5.422 12.430 ( 1.502 1.152 -7.580) 7.813 12.729 ( -1.069 -6.091 -3.967) 7.347 13.466 ( 2.775 22.653 5.130) 23.392 13.883 ( -7.963 15.718 -8.405) 19.522 14.033 ( 0.881 22.599 -8.648) 24.213 14.158 ( -2.130 24.271 -8.725) 25.880 15.681 ( 8.071 -3.892 16.421) 18.707 16.136 ( -3.940 -7.909 8.019) 11.932 16.644 ( 2.414 -4.990 -7.327) 9.187 16.807 ( -2.326 -10.515 -11.430) 15.704 18.789 ( 1.803 -5.636 10.555) 12.101 18.929 ( -1.942 -6.996 7.607) 10.516 19.172 ( 2.301 -10.535 0.703) 10.806 19.286 ( 0.497 -11.026 2.936) 11.421 33.616 ( 2.024 4.775 7.068) 8.767 33.806 ( -2.533 11.050 5.211) 12.477 34.084 ( 0.410 4.185 -0.195) 4.209 34.089 ( 0.195 1.204 -5.490) 5.624 34.748 ( 4.577 13.622 -1.765) 14.479 35.096 ( -3.274 9.844 -11.709) 15.643 36.810 ( 0.525 -3.717 2.380) 4.445 36.870 ( -0.797 -4.543 0.767) 4.676 73.231 ( 0.116 -5.086 2.302) 5.584 73.334 ( -2.288 -7.769 0.285) 8.103 77.440 ( 12.362 -35.742 36.496) 52.557 78.675 ( -15.788 -60.833 1.008) 62.856 ======================= Grid point 352 (117/162) ======================= q-point: ( 0.40 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 6.151 9.850 13.684) 17.947 3.274 ( -12.217 8.118 8.507) 16.957 3.824 ( 6.074 31.203 12.166) 34.038 3.990 ( -8.838 28.475 7.027) 30.632 4.820 ( 5.340 16.396 7.106) 18.651 4.908 ( -0.861 16.803 3.083) 17.105 5.033 ( 7.089 20.498 3.163) 21.918 5.185 ( -5.467 22.368 -1.346) 23.066 6.517 ( 16.607 4.733 14.724) 22.693 6.820 ( -7.809 -0.232 7.729) 10.990 7.463 ( 6.328 -5.204 6.036) 10.176 7.685 ( -11.582 -6.429 0.030) 13.247 8.924 ( 6.391 19.609 1.366) 20.669 9.055 ( -5.809 25.653 -0.749) 26.313 9.511 ( 0.353 -7.930 3.036) 8.499 9.574 ( -5.741 -6.359 -0.223) 8.570 10.414 ( 4.866 11.123 -4.300) 12.880 10.453 ( 1.537 16.184 -3.283) 16.585 10.657 ( 5.065 13.270 -7.250) 15.947 10.826 ( -9.503 13.014 -9.643) 18.779 11.980 ( 6.198 -7.772 2.979) 10.377 12.122 ( -6.906 -5.960 -0.648) 9.145 12.535 ( 7.219 0.339 -9.012) 11.552 12.668 ( -5.051 -3.849 -7.321) 9.691 13.553 ( 5.855 21.509 1.058) 22.317 13.704 ( -8.685 18.737 -4.323) 21.100 14.059 ( 1.767 23.064 -8.556) 24.663 14.105 ( -2.675 23.227 -8.704) 24.948 15.871 ( 9.364 -4.855 12.585) 16.421 16.033 ( -6.338 -6.367 9.141) 12.817 16.692 ( 2.392 -6.520 -6.242) 9.338 16.749 ( -3.094 -8.354 -8.561) 12.355 18.834 ( 2.381 -6.318 9.303) 11.495 18.883 ( -2.389 -6.674 8.580) 11.129 19.232 ( 3.038 -10.965 1.240) 11.445 19.279 ( -1.364 -11.343 1.832) 11.571 33.671 ( 3.249 6.482 6.681) 9.860 33.742 ( -3.488 8.818 6.115) 11.284 34.091 ( 0.209 2.796 -2.989) 4.099 34.092 ( 0.089 2.756 -3.454) 4.420 34.868 ( 6.684 12.335 -5.331) 15.008 35.001 ( -5.886 10.860 -9.109) 15.348 36.825 ( 1.010 -3.910 1.817) 4.428 36.849 ( -1.178 -4.229 1.200) 4.551 73.242 ( 1.193 -5.543 2.436) 6.171 73.281 ( -2.521 -6.545 1.775) 7.234 77.791 ( 21.185 -42.222 26.317) 54.075 78.259 ( -23.268 -51.631 13.071) 58.120 ======================= Grid point 355 (118/162) ======================= q-point: ( 0.00 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( 0.000 17.371 14.635) 22.714 3.779 ( 0.000 8.814 11.172) 14.230 4.180 ( 0.000 7.646 7.699) 10.850 4.402 ( 0.000 5.197 4.628) 6.958 5.013 ( 0.000 12.979 8.086) 15.291 5.304 ( 0.000 39.158 10.241) 40.475 5.394 ( 0.000 21.940 -0.094) 21.940 5.815 ( 0.000 31.220 -10.205) 32.846 6.455 ( 0.000 -1.403 6.834) 6.976 6.612 ( 0.000 23.540 1.677) 23.600 7.542 ( 0.000 -2.041 6.795) 7.095 7.769 ( 0.000 -9.841 -0.749) 9.869 8.986 ( 0.000 7.229 2.669) 7.706 9.334 ( 0.000 -3.799 3.269) 5.012 9.909 ( 0.000 24.454 1.316) 24.489 9.969 ( 0.000 5.782 4.208) 7.151 10.124 ( 0.000 1.639 -5.334) 5.580 10.511 ( 0.000 9.271 -13.067) 16.022 11.123 ( 0.000 29.359 -5.170) 29.810 11.288 ( 0.000 16.355 -8.089) 18.246 11.660 ( 0.000 -10.548 10.552) 14.920 12.431 ( 0.000 12.404 -10.433) 16.209 12.435 ( 0.000 1.406 -5.338) 5.520 12.591 ( 0.000 -7.141 -3.195) 7.824 13.875 ( 0.000 20.231 7.905) 21.721 14.253 ( 0.000 11.796 -6.183) 13.318 14.446 ( 0.000 21.407 -8.608) 23.073 14.695 ( 0.000 25.122 -10.322) 27.160 15.541 ( 0.000 -0.418 15.360) 15.365 16.020 ( 0.000 -6.822 9.912) 12.033 16.522 ( 0.000 -4.838 -5.421) 7.266 16.600 ( 0.000 -11.205 -12.579) 16.846 18.662 ( 0.000 -5.521 9.356) 10.864 18.786 ( 0.000 -9.279 5.577) 10.826 18.914 ( 0.000 -12.714 1.445) 12.796 19.065 ( 0.000 -10.456 4.270) 11.295 33.657 ( 0.000 2.413 3.754) 4.463 33.952 ( 0.000 0.204 -5.382) 5.386 34.231 ( 0.000 9.673 6.226) 11.503 34.232 ( 0.000 13.369 3.673) 13.864 35.001 ( 0.000 16.245 -1.349) 16.301 35.340 ( 0.000 11.340 -11.102) 15.870 36.725 ( 0.000 -4.107 2.706) 4.918 36.780 ( 0.000 -4.919 1.098) 5.040 73.127 ( 0.000 -5.154 2.574) 5.761 73.192 ( 0.000 -8.115 1.702) 8.292 76.570 ( 0.000 -40.201 34.321) 52.859 77.519 ( 0.000 -66.532 10.050) 67.287 ======================= Grid point 356 (119/162) ======================= q-point: ( 0.20 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( -1.870 16.287 13.617) 21.312 3.686 ( -9.490 8.609 5.891) 14.102 4.165 ( 2.060 10.858 14.079) 17.899 4.435 ( 0.486 7.894 3.702) 8.732 5.068 ( 4.132 11.623 9.032) 15.289 5.359 ( -3.213 21.546 1.555) 21.839 5.374 ( 7.117 36.951 6.530) 38.192 5.808 ( -1.410 31.328 -8.869) 32.590 6.494 ( 5.383 8.227 8.404) 12.934 6.745 ( 10.298 11.708 0.505) 15.600 7.463 ( -6.916 -1.218 6.698) 9.704 7.712 ( -5.650 -9.191 -1.130) 10.848 9.043 ( 5.662 7.661 2.339) 9.809 9.341 ( 0.767 -4.260 3.627) 5.647 9.722 ( -13.189 2.230 2.651) 13.636 9.766 ( -11.841 19.617 -0.132) 22.914 10.391 ( 15.023 8.067 -3.168) 17.344 10.627 ( 8.960 12.436 -9.725) 18.153 11.083 ( -3.348 28.437 -5.494) 29.156 11.262 ( -2.766 17.577 -8.480) 19.710 11.690 ( 3.223 -10.295 9.002) 14.050 12.253 ( -10.847 0.764 -6.012) 12.425 12.518 ( 3.340 7.014 -6.449) 10.096 12.632 ( 2.231 -2.873 -6.886) 7.788 13.892 ( 1.656 19.400 6.490) 20.524 14.175 ( -6.179 13.100 -5.358) 15.443 14.477 ( 2.195 21.720 -8.204) 23.321 14.655 ( -3.345 24.634 -9.600) 26.649 15.624 ( 7.140 -1.165 13.955) 15.719 15.990 ( -2.657 -6.140 9.633) 11.728 16.537 ( 1.029 -5.655 -3.534) 6.747 16.598 ( -0.278 -9.959 -12.600) 16.063 18.671 ( 0.914 -6.157 8.735) 10.726 18.771 ( -1.406 -8.828 6.174) 10.864 18.940 ( 2.317 -12.532 1.610) 12.846 19.063 ( -0.315 -11.069 3.716) 11.680 33.686 ( 2.725 2.528 3.265) 4.947 33.926 ( -2.509 1.136 -3.791) 4.686 34.213 ( -0.551 10.701 4.609) 11.664 34.242 ( -0.033 10.998 4.262) 11.795 35.042 ( 3.700 15.794 -2.523) 16.416 35.314 ( -2.527 11.790 -10.344) 15.887 36.730 ( 0.416 -4.152 2.517) 4.873 36.774 ( -0.565 -4.813 1.215) 4.996 73.125 ( -0.093 -5.231 2.744) 5.908 73.178 ( -1.289 -7.597 2.132) 7.995 76.654 ( 8.059 -42.321 31.964) 53.645 77.421 ( -9.262 -63.489 12.491) 65.366 ======================= Grid point 357 (120/162) ======================= q-point: ( 0.40 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( 3.670 14.054 10.230) 17.766 3.462 ( -10.364 11.001 6.258) 16.359 4.265 ( 6.373 12.730 12.800) 19.144 4.387 ( -4.828 11.141 7.326) 14.181 5.160 ( 5.028 15.406 8.179) 18.153 5.268 ( -5.233 18.598 4.748) 19.895 5.565 ( 9.858 32.447 -0.017) 33.912 5.733 ( -6.123 30.999 -5.308) 32.041 6.684 ( 12.088 10.735 9.224) 18.613 6.877 ( -2.247 7.349 4.985) 9.160 7.372 ( 2.534 -2.722 1.986) 4.215 7.543 ( -10.277 -7.109 -1.609) 12.599 9.216 ( 10.924 8.320 1.329) 13.796 9.370 ( 1.592 -5.820 3.705) 7.080 9.496 ( -10.662 13.135 2.469) 17.097 9.508 ( -9.389 4.676 1.881) 10.656 10.653 ( 10.018 13.392 -2.833) 16.963 10.764 ( 1.080 14.312 -3.660) 14.812 11.048 ( 2.409 26.012 -8.768) 27.556 11.166 ( -6.492 20.961 -8.901) 23.680 11.807 ( 8.349 -9.176 4.044) 13.048 12.017 ( -11.610 -5.217 -1.826) 12.859 12.589 ( 3.465 4.477 -7.704) 9.560 12.643 ( -1.316 1.287 -8.612) 8.807 13.945 ( 3.684 17.433 2.610) 18.008 14.045 ( -5.946 15.220 -2.131) 16.479 14.523 ( 2.442 22.904 -8.070) 24.407 14.582 ( -3.366 23.844 -8.638) 25.583 15.785 ( 7.724 -3.040 11.725) 14.366 15.915 ( -4.851 -4.810 10.093) 12.188 16.557 ( 1.171 -6.782 -4.527) 8.237 16.584 ( -1.156 -7.763 -9.094) 12.013 18.698 ( 1.696 -7.214 7.731) 10.709 18.736 ( -1.894 -8.033 6.975) 10.806 18.996 ( 2.847 -12.362 2.078) 12.854 19.044 ( -1.677 -11.976 2.768) 12.405 33.761 ( 4.396 2.734 1.834) 5.493 33.853 ( -4.372 2.458 -0.617) 5.054 34.214 ( 0.620 9.721 3.627) 10.394 34.231 ( -0.838 9.996 3.591) 10.654 35.137 ( 5.234 14.554 -5.278) 16.342 35.240 ( -4.545 13.006 -8.227) 16.047 36.742 ( 0.763 -4.306 2.056) 4.832 36.759 ( -0.855 -4.560 1.558) 4.894 73.129 ( 0.515 -5.619 3.000) 6.390 73.148 ( -1.363 -6.504 2.822) 7.220 76.880 ( 13.459 -48.165 25.968) 56.350 77.172 ( -14.197 -56.169 18.628) 60.856 ======================= Grid point 360 (121/162) ======================= q-point: ( 0.00 0.24 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 0.000 20.255 9.888) 22.539 3.905 ( 0.000 5.096 9.946) 11.175 4.326 ( 0.000 7.511 6.343) 9.831 4.459 ( 0.000 1.483 2.406) 2.826 5.132 ( 0.000 1.023 6.411) 6.492 5.609 ( 0.000 -0.210 -3.141) 3.148 6.116 ( 0.000 39.714 5.517) 40.095 6.425 ( 0.000 11.570 5.022) 12.613 6.527 ( 0.000 24.624 -0.166) 24.624 7.138 ( 0.000 25.514 0.481) 25.518 7.566 ( 0.000 -8.111 -5.911) 10.037 7.577 ( 0.000 6.323 -2.867) 6.942 9.107 ( 0.000 5.918 2.400) 6.386 9.255 ( 0.000 -3.094 5.609) 6.406 10.044 ( 0.000 -0.658 -0.734) 0.986 10.068 ( 0.000 4.187 7.000) 8.156 10.443 ( 0.000 19.689 -4.480) 20.192 10.706 ( 0.000 10.040 -17.607) 20.268 11.437 ( 0.000 -7.788 14.925) 16.835 11.657 ( 0.000 18.375 -3.688) 18.742 11.749 ( 0.000 27.468 -3.579) 27.701 12.467 ( 0.000 -3.578 -4.550) 5.788 12.486 ( 0.000 4.373 -4.316) 6.144 12.671 ( 0.000 11.142 -11.436) 15.966 14.208 ( 0.000 12.986 13.373) 18.640 14.442 ( 0.000 7.929 -4.463) 9.099 14.834 ( 0.000 17.252 -9.508) 19.699 15.137 ( 0.000 18.892 -12.609) 22.713 15.590 ( 0.000 5.184 10.819) 11.997 15.933 ( 0.000 -1.752 10.686) 10.828 16.411 ( 0.000 -7.807 -11.446) 13.855 16.434 ( 0.000 -3.602 -0.151) 3.605 18.555 ( 0.000 -5.243 6.585) 8.417 18.591 ( 0.000 -10.296 4.606) 11.279 18.662 ( 0.000 -12.407 2.549) 12.666 18.869 ( 0.000 -9.341 3.574) 10.002 33.705 ( 0.000 2.718 2.080) 3.423 33.942 ( 0.000 -0.363 -5.497) 5.509 34.423 ( 0.000 8.961 8.027) 12.030 34.494 ( 0.000 11.762 4.818) 12.710 35.330 ( 0.000 16.770 -1.723) 16.858 35.564 ( 0.000 11.120 -9.137) 14.392 36.650 ( 0.000 -3.273 2.981) 4.427 36.697 ( 0.000 -3.153 1.447) 3.469 73.039 ( 0.000 -3.556 3.355) 4.889 73.055 ( 0.000 -5.422 3.700) 6.564 75.767 ( 0.000 -39.987 27.928) 48.775 76.285 ( 0.000 -57.318 16.344) 59.603 ======================= Grid point 361 (122/162) ======================= q-point: ( 0.20 0.24 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( -3.748 18.076 9.447) 20.737 3.858 ( -6.005 9.415 4.849) 12.175 4.322 ( 2.757 6.425 10.969) 13.008 4.516 ( 2.244 1.901 2.131) 3.632 5.180 ( 4.940 0.949 7.441) 8.982 5.590 ( -2.416 1.851 0.677) 3.118 6.153 ( 3.499 37.298 4.007) 37.676 6.477 ( -1.580 35.328 -10.288) 36.829 6.543 ( 7.983 -0.588 12.926) 15.204 7.154 ( 0.505 20.443 2.450) 20.596 7.482 ( -5.290 1.445 -6.847) 8.773 7.581 ( -1.603 2.559 -4.852) 5.715 9.162 ( 5.295 5.509 2.164) 7.942 9.260 ( 0.680 -2.868 5.791) 6.498 9.765 ( -13.458 2.780 4.415) 14.434 10.027 ( -12.175 6.634 -0.696) 13.883 10.624 ( 15.786 14.185 -2.987) 21.432 10.853 ( 10.089 10.105 -11.951) 18.621 11.458 ( 2.566 -6.869 9.214) 11.776 11.652 ( -0.514 20.101 -0.552) 20.115 11.710 ( -3.269 25.517 -4.537) 26.122 12.245 ( -13.933 0.532 -5.216) 14.887 12.600 ( 4.347 2.252 -3.915) 6.268 12.701 ( 1.987 8.429 -11.816) 14.650 14.208 ( 0.204 12.292 11.210) 16.638 14.392 ( -4.235 9.235 -3.432) 10.723 14.866 ( 2.659 17.012 -8.825) 19.348 15.090 ( -3.879 18.613 -11.045) 21.988 15.654 ( 5.392 4.170 9.776) 11.917 15.915 ( -1.541 -1.035 10.184) 10.352 16.422 ( 0.668 -6.259 -5.644) 8.454 16.443 ( 0.922 -4.785 -4.807) 6.845 18.548 ( -0.295 -6.358 6.190) 8.878 18.585 ( -0.579 -9.825 4.919) 11.003 18.696 ( 2.805 -11.660 2.554) 12.262 18.857 ( -1.220 -9.766 3.336) 10.392 33.733 ( 2.675 2.631 1.566) 4.066 33.929 ( -1.322 0.146 -4.675) 4.860 34.414 ( -0.638 8.984 7.536) 11.744 34.476 ( -1.594 10.990 5.026) 12.190 35.362 ( 2.850 16.344 -2.539) 16.784 35.549 ( -1.506 11.781 -8.471) 14.588 36.654 ( 0.359 -3.285 2.810) 4.338 36.692 ( -0.478 -3.186 1.568) 3.583 73.036 ( -0.233 -3.604 3.521) 5.044 73.049 ( -0.521 -5.069 3.833) 6.376 75.815 ( 4.587 -41.509 26.707) 49.571 76.234 ( -4.815 -55.488 17.375) 58.344 ======================= Grid point 362 (123/162) ======================= q-point: ( 0.40 0.24 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( 1.293 16.400 6.851) 17.820 3.707 ( -6.942 13.775 4.164) 15.977 4.419 ( 5.353 4.967 9.640) 12.094 4.508 ( -2.827 3.085 5.099) 6.596 5.325 ( 8.492 1.850 8.490) 12.150 5.492 ( -7.079 3.160 6.523) 10.132 6.255 ( 6.220 33.516 -0.203) 34.089 6.385 ( -5.978 32.254 -4.265) 33.079 6.799 ( 14.646 1.222 5.834) 15.813 7.071 ( -10.044 5.155 5.521) 12.567 7.435 ( 1.999 11.832 -9.418) 15.255 7.515 ( -4.444 8.414 -6.923) 11.767 9.288 ( 3.439 -0.398 3.422) 4.867 9.294 ( 3.679 0.667 3.945) 5.435 9.582 ( -1.855 5.378 5.122) 7.655 9.740 ( -13.751 8.117 0.584) 15.978 10.914 ( 10.385 11.998 -1.280) 15.920 11.001 ( 2.320 9.886 -3.538) 10.754 11.563 ( 6.270 5.933 -10.675) 13.729 11.628 ( -2.242 29.062 -5.775) 29.715 11.679 ( 4.049 7.119 7.750) 11.276 11.928 ( -16.198 -0.875 -1.882) 16.331 12.676 ( 3.090 4.182 -6.975) 8.700 12.717 ( -0.689 5.597 -10.190) 11.646 14.229 ( 2.159 11.280 5.954) 12.937 14.298 ( -4.419 10.602 0.321) 11.491 14.929 ( 3.404 17.400 -8.325) 19.587 15.005 ( -4.072 18.092 -9.159) 20.683 15.774 ( 5.670 2.091 9.199) 11.007 15.868 ( -3.368 0.362 9.463) 10.051 16.438 ( 0.945 -4.991 -3.435) 6.132 16.453 ( -0.228 -5.330 -5.458) 7.632 18.552 ( 0.621 -7.643 5.731) 9.573 18.569 ( -0.929 -8.787 5.293) 10.300 18.760 ( 3.217 -11.143 2.571) 11.880 18.819 ( -2.444 -10.575 2.866) 11.226 33.805 ( 4.024 2.254 0.015) 4.612 33.883 ( -3.256 1.327 -2.417) 4.267 34.411 ( 0.596 9.000 6.390) 11.054 34.438 ( -1.862 9.647 5.477) 11.248 35.433 ( 3.746 15.118 -4.495) 16.211 35.503 ( -2.961 13.380 -6.724) 15.265 36.665 ( 0.656 -3.292 2.385) 4.117 36.679 ( -0.729 -3.252 1.910) 3.842 73.033 ( 0.025 -3.824 3.845) 5.423 73.038 ( -0.489 -4.358 3.984) 5.925 75.943 ( 7.491 -45.592 23.660) 51.909 76.102 ( -7.633 -50.906 20.120) 55.268 ======================= Grid point 365 (124/162) ======================= q-point: ( 0.00 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( 0.000 5.235 8.334) 9.841 4.124 ( 0.000 21.140 5.353) 21.807 4.480 ( 0.000 0.960 -0.655) 1.162 4.483 ( 0.000 8.208 3.658) 8.986 5.105 ( 0.000 -2.893 3.058) 4.210 5.485 ( 0.000 -10.129 -5.205) 11.388 6.381 ( 0.000 -7.625 19.094) 20.561 6.746 ( 0.000 17.143 8.008) 18.921 7.189 ( 0.000 32.700 -10.439) 34.326 7.292 ( 0.000 2.303 -0.231) 2.314 7.776 ( 0.000 12.421 -8.285) 14.930 7.788 ( 0.000 23.637 -15.630) 28.338 9.227 ( 0.000 0.380 7.992) 8.001 9.238 ( 0.000 7.284 2.712) 7.772 10.043 ( 0.000 0.788 -2.241) 2.375 10.138 ( 0.000 2.934 2.969) 4.174 10.757 ( 0.000 12.341 -2.879) 12.673 10.883 ( 0.000 6.902 -14.869) 16.393 11.304 ( 0.000 -4.071 13.099) 13.717 11.862 ( 0.000 0.572 -2.794) 2.852 12.146 ( 0.000 9.922 7.824) 12.636 12.522 ( 0.000 8.977 -0.918) 9.024 12.694 ( 0.000 18.315 -8.641) 20.251 12.891 ( 0.000 12.043 -12.265) 17.189 14.384 ( 0.000 5.425 14.302) 15.296 14.604 ( 0.000 9.118 -1.836) 9.301 15.106 ( 0.000 9.797 -11.546) 15.142 15.419 ( 0.000 9.349 -14.804) 17.509 15.716 ( 0.000 6.514 7.909) 10.246 15.953 ( 0.000 3.727 10.365) 11.015 16.290 ( 0.000 -4.483 -6.350) 7.773 16.395 ( 0.000 -0.237 3.531) 3.539 18.388 ( 0.000 -10.024 3.760) 10.706 18.437 ( 0.000 -10.061 3.403) 10.621 18.451 ( 0.000 -5.376 3.916) 6.651 18.694 ( 0.000 -8.479 2.345) 8.797 33.771 ( 0.000 4.010 1.403) 4.248 33.949 ( 0.000 1.199 -4.176) 4.345 34.563 ( 0.000 4.838 7.699) 9.093 34.668 ( 0.000 5.516 4.442) 7.082 35.655 ( 0.000 15.818 -1.685) 15.907 35.774 ( 0.000 10.116 -6.371) 11.955 36.601 ( 0.000 -1.670 3.469) 3.850 36.662 ( 0.000 -0.435 1.441) 1.506 72.986 ( 0.000 -1.535 5.317) 5.534 72.995 ( 0.000 -0.692 4.467) 4.520 75.019 ( 0.000 -35.186 22.212) 41.611 75.273 ( 0.000 -44.931 17.249) 48.129 ======================= Grid point 366 (125/162) ======================= q-point: ( 0.20 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -2.599 11.378 6.773) 13.494 4.108 ( -3.442 16.896 2.508) 17.425 4.446 ( 1.412 6.235 6.031) 8.789 4.548 ( 1.912 2.061 0.349) 2.833 5.147 ( 4.501 -3.533 4.271) 7.140 5.504 ( 0.412 -8.468 -1.310) 8.578 6.403 ( 2.844 -8.367 15.640) 17.964 6.757 ( 0.067 10.090 8.026) 12.893 7.126 ( -3.480 27.212 -7.724) 28.500 7.305 ( -0.651 13.789 -5.279) 14.779 7.772 ( 0.106 15.562 -9.935) 18.464 7.799 ( 0.603 20.330 -13.638) 24.488 9.241 ( 1.555 1.055 7.969) 8.188 9.286 ( 4.422 7.042 2.882) 8.800 9.830 ( -12.063 3.700 2.851) 12.935 10.105 ( -8.873 2.455 -2.220) 9.470 10.882 ( 12.168 10.878 -2.079) 16.454 11.020 ( 9.885 6.342 -11.347) 16.330 11.316 ( 1.667 -5.216 10.778) 12.089 11.832 ( -3.251 -1.582 -1.427) 3.887 12.137 ( -0.627 12.840 6.331) 14.330 12.436 ( -8.112 18.908 -4.411) 21.042 12.710 ( 2.059 9.297 -6.232) 11.380 12.886 ( -0.885 11.081 -12.202) 16.506 14.382 ( 0.089 5.913 12.068) 13.439 14.567 ( -3.436 9.013 -0.596) 9.664 15.131 ( 2.258 9.376 -10.655) 14.371 15.369 ( -4.188 9.349 -12.819) 16.410 15.763 ( 4.024 5.959 7.255) 10.214 15.951 ( -0.332 4.447 9.249) 10.268 16.317 ( 2.165 -4.150 -5.131) 6.945 16.393 ( -0.208 -0.573 2.917) 2.980 18.390 ( 0.169 -9.664 3.834) 10.398 18.408 ( -1.142 -7.849 4.133) 8.943 18.500 ( 3.026 -7.917 2.874) 8.949 18.676 ( -1.653 -8.568 2.289) 9.021 33.797 ( 2.490 3.947 1.025) 4.778 33.946 ( -0.440 1.673 -3.622) 4.014 34.551 ( -0.890 4.552 7.220) 8.582 34.639 ( -2.597 5.070 4.604) 7.325 35.679 ( 2.114 15.509 -2.132) 15.797 35.774 ( -0.138 10.929 -5.844) 12.395 36.605 ( 0.359 -1.693 3.275) 3.704 36.654 ( -0.724 -0.671 1.630) 1.906 72.984 ( -0.105 -1.343 5.290) 5.459 72.992 ( -0.254 -0.710 4.632) 4.693 75.043 ( 2.321 -36.095 21.654) 42.156 75.249 ( -2.286 -43.970 17.647) 47.434 ======================= Grid point 367 (126/162) ======================= q-point: ( 0.40 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.940 ( 1.274 15.493 4.187) 16.099 4.007 ( -4.977 16.498 2.048) 17.354 4.505 ( 3.180 4.252 5.407) 7.578 4.553 ( -1.295 2.062 2.201) 3.282 5.287 ( 8.486 -4.545 6.582) 11.662 5.448 ( -6.094 -5.872 5.346) 10.010 6.518 ( 8.086 -8.487 9.415) 15.035 6.689 ( -7.094 -3.877 7.616) 11.107 7.129 ( 4.091 29.099 -7.911) 30.431 7.240 ( -5.292 22.905 -8.087) 24.861 7.785 ( 1.015 17.130 -10.821) 20.287 7.802 ( -0.427 18.666 -12.329) 22.374 9.299 ( 4.112 2.790 7.196) 8.745 9.365 ( 0.346 5.399 4.116) 6.798 9.684 ( 1.007 4.851 3.513) 6.074 9.860 ( -12.783 4.638 -0.362) 13.604 11.102 ( 7.292 6.797 -1.031) 10.022 11.169 ( 1.528 7.214 -1.828) 7.598 11.448 ( 12.776 -7.033 0.841) 14.608 11.707 ( -9.760 -5.833 -0.528) 11.382 12.143 ( 1.941 19.918 2.270) 20.140 12.247 ( -8.437 24.877 -3.356) 26.482 12.774 ( 3.771 5.818 -7.750) 10.399 12.846 ( -2.972 8.014 -10.788) 13.764 14.405 ( 2.466 7.120 7.396) 10.559 14.480 ( -4.518 8.305 2.710) 9.835 15.192 ( 3.649 9.012 -9.759) 13.776 15.276 ( -4.511 9.127 -10.530) 14.647 15.855 ( 4.449 5.425 7.138) 10.009 15.927 ( -2.340 5.131 7.766) 9.597 16.359 ( 1.747 -2.954 -2.200) 4.077 16.384 ( -0.726 -1.606 0.886) 1.972 18.393 ( 0.077 -8.823 3.980) 9.680 18.395 ( -0.257 -8.041 4.149) 9.052 18.566 ( 3.282 -8.545 2.307) 9.440 18.629 ( -2.842 -8.694 2.199) 9.408 33.862 ( 3.432 3.627 -0.161) 4.996 33.922 ( -2.144 2.770 -2.022) 4.045 34.544 ( 0.604 4.076 6.093) 7.355 34.580 ( -2.729 4.263 5.093) 7.181 35.727 ( 2.280 14.493 -3.236) 15.024 35.763 ( -1.108 12.763 -4.609) 13.615 36.616 ( 0.793 -1.600 2.764) 3.291 36.636 ( -1.021 -1.194 2.133) 2.649 72.983 ( 0.040 -0.995 5.191) 5.286 72.986 ( -0.261 -0.778 4.955) 5.023 75.107 ( 3.732 -38.488 20.285) 43.666 75.186 ( -3.710 -41.490 18.759) 45.685 ======================= Grid point 370 (127/162) ======================= q-point: ( 0.00 0.35 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.123 ( 0.000 7.082 4.753) 8.529 4.479 ( 0.000 4.950 -6.846) 8.448 4.561 ( 0.000 16.930 5.443) 17.784 4.636 ( 0.000 6.644 2.783) 7.203 5.047 ( 0.000 -2.027 -0.324) 2.052 5.255 ( 0.000 -12.521 -6.152) 13.950 6.178 ( 0.000 -12.021 18.023) 21.664 6.672 ( 0.000 -15.213 8.098) 17.235 7.616 ( 0.000 21.866 -4.165) 22.259 7.763 ( 0.000 24.453 -10.735) 26.706 8.026 ( 0.000 12.639 -9.164) 15.612 8.205 ( 0.000 17.401 -17.681) 24.807 9.267 ( 0.000 3.469 9.952) 10.539 9.380 ( 0.000 6.553 3.304) 7.339 10.075 ( 0.000 2.264 -3.749) 4.380 10.183 ( 0.000 1.673 -3.034) 3.465 10.937 ( 0.000 5.909 -0.146) 5.911 10.944 ( 0.000 -0.384 -1.435) 1.486 11.307 ( 0.000 3.613 3.166) 4.804 11.773 ( 0.000 -6.902 -3.338) 7.667 12.248 ( 0.000 3.825 11.438) 12.061 12.691 ( 0.000 5.995 0.096) 5.996 13.105 ( 0.000 20.246 -7.121) 21.462 13.166 ( 0.000 15.054 -7.771) 16.942 14.466 ( 0.000 3.853 9.710) 10.447 14.800 ( 0.000 10.342 -0.280) 10.345 15.207 ( 0.000 0.206 -13.689) 13.691 15.513 ( 0.000 0.760 -14.592) 14.611 15.825 ( 0.000 4.569 7.998) 9.211 16.069 ( 0.000 7.386 9.121) 11.737 16.228 ( 0.000 -2.138 0.108) 2.141 16.413 ( 0.000 1.549 5.431) 5.648 18.207 ( 0.000 -7.973 3.282) 8.622 18.273 ( 0.000 -6.450 2.996) 7.112 18.339 ( 0.000 -5.946 1.918) 6.248 18.531 ( 0.000 -7.982 1.107) 8.059 33.863 ( 0.000 5.244 1.061) 5.350 33.988 ( 0.000 2.685 -2.795) 3.876 34.612 ( 0.000 0.350 6.292) 6.302 34.711 ( 0.000 -0.906 3.635) 3.746 35.947 ( 0.000 13.444 -1.401) 13.517 35.966 ( 0.000 9.281 -3.167) 9.806 36.582 ( 0.000 -0.420 3.913) 3.935 36.670 ( 0.000 0.757 1.131) 1.361 72.996 ( 0.000 2.614 6.727) 7.217 73.015 ( 0.000 2.832 5.841) 6.491 74.388 ( 0.000 -28.431 17.626) 33.451 74.503 ( 0.000 -33.220 15.703) 36.744 ======================= Grid point 371 (128/162) ======================= q-point: ( 0.20 0.35 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.148 ( 2.461 9.056 4.005) 10.204 4.441 ( -4.134 13.098 -3.390) 14.147 4.558 ( 0.770 5.784 1.677) 6.071 4.643 ( -0.148 8.956 2.480) 9.294 5.063 ( 2.937 -4.546 0.952) 5.495 5.313 ( 3.331 -9.707 -2.257) 10.508 6.181 ( 1.149 -13.012 14.801) 19.741 6.611 ( -5.835 -15.825 7.165) 18.325 7.620 ( 1.046 23.372 -5.181) 23.963 7.781 ( 0.625 24.342 -11.557) 26.954 8.030 ( 0.781 11.911 -8.974) 14.934 8.190 ( -1.468 16.497 -16.795) 23.588 9.296 ( 2.948 4.265 9.593) 10.904 9.428 ( 4.347 6.727 3.274) 8.653 9.908 ( -10.756 4.107 0.500) 11.525 10.141 ( -7.266 1.138 -4.940) 8.859 11.037 ( 9.619 4.738 0.229) 10.726 11.063 ( 9.435 -1.583 -0.590) 9.585 11.303 ( -0.500 3.311 2.534) 4.199 11.725 ( -4.642 -6.863 -1.631) 8.445 12.294 ( 4.644 6.045 9.237) 11.976 12.737 ( 4.049 8.310 -1.206) 9.323 12.969 ( -10.317 16.476 -5.649) 20.244 13.156 ( -2.962 14.930 -8.887) 17.625 14.478 ( 1.411 4.648 8.501) 9.791 14.752 ( -4.366 9.642 0.202) 10.587 15.227 ( 1.945 0.269 -12.652) 12.803 15.467 ( -4.016 1.079 -13.346) 13.979 15.870 ( 4.056 4.872 7.608) 9.903 16.072 ( -0.117 7.128 8.036) 10.743 16.259 ( 2.736 -1.941 0.792) 3.447 16.405 ( -0.831 1.275 5.042) 5.267 18.215 ( 0.758 -7.686 3.231) 8.372 18.263 ( -0.701 -6.170 3.048) 6.918 18.363 ( 1.997 -6.513 1.653) 7.009 18.514 ( -1.617 -7.897 1.118) 8.138 33.889 ( 2.449 5.304 0.857) 5.904 33.996 ( 0.499 3.247 -2.401) 4.069 34.592 ( -1.619 -0.182 5.850) 6.072 34.675 ( -3.191 -1.178 3.666) 5.001 35.966 ( 1.657 13.192 -1.626) 13.395 35.982 ( 1.315 10.204 -2.764) 10.653 36.583 ( 0.229 -0.628 3.681) 3.741 36.656 ( -1.256 0.436 1.386) 1.920 72.997 ( 0.098 2.680 6.673) 7.192 73.013 ( -0.246 2.852 5.959) 6.611 74.400 ( 1.065 -28.895 17.396) 33.744 74.493 ( -1.012 -32.769 15.841) 36.411 ======================= Grid point 372 (129/162) ======================= q-point: ( 0.40 0.35 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.223 ( 4.737 12.899 2.357) 13.942 4.333 ( -5.774 15.424 0.242) 16.471 4.587 ( 1.688 3.185 -0.690) 3.670 4.622 ( -1.634 6.397 0.417) 6.615 5.179 ( 7.503 -5.561 4.607) 10.414 5.312 ( -4.042 -6.809 3.993) 8.868 6.264 ( 7.262 -15.191 8.109) 18.689 6.448 ( -9.497 -16.220 5.890) 19.697 7.672 ( 3.771 24.292 -7.757) 25.778 7.752 ( -3.355 24.355 -10.862) 26.877 8.073 ( 3.281 12.331 -10.731) 16.672 8.143 ( -3.101 14.410 -14.211) 20.475 9.390 ( 6.086 6.014 7.835) 11.602 9.496 ( -1.187 7.363 4.296) 8.607 9.770 ( 1.019 3.620 1.908) 4.217 9.932 ( -11.303 2.641 -1.876) 11.758 11.188 ( 5.784 2.046 -0.093) 6.136 11.274 ( -2.597 2.922 0.872) 4.005 11.337 ( 14.055 -3.722 1.683) 14.636 11.582 ( -9.520 -6.103 0.730) 11.332 12.442 ( 9.844 11.722 4.430) 15.935 12.680 ( -12.243 18.079 -0.183) 21.835 12.896 ( 6.415 6.277 -6.750) 11.230 13.047 ( -7.136 11.198 -8.762) 15.909 14.534 ( 4.173 6.454 5.555) 9.483 14.641 ( -5.913 8.224 2.284) 10.383 15.285 ( 3.663 0.501 -11.558) 12.135 15.373 ( -4.738 0.991 -11.842) 12.793 15.967 ( 4.827 5.651 7.060) 10.251 16.046 ( -2.627 6.481 7.014) 9.905 16.323 ( 3.137 -0.970 2.292) 4.004 16.376 ( -2.013 0.368 3.914) 4.416 18.233 ( 0.881 -6.980 3.102) 7.689 18.249 ( -0.699 -6.309 3.058) 7.045 18.413 ( 2.745 -7.200 1.310) 7.816 18.469 ( -2.651 -7.646 1.166) 8.176 33.950 ( 3.019 5.282 0.110) 6.085 33.994 ( -1.031 4.534 -1.237) 4.811 34.570 ( 0.028 -1.285 4.820) 4.989 34.604 ( -3.106 -1.627 3.945) 5.278 35.999 ( 1.193 12.677 -1.930) 12.878 36.005 ( 0.613 11.867 -2.190) 12.083 36.595 ( 1.011 -0.802 3.004) 3.270 36.624 ( -1.675 -0.313 2.096) 2.702 73.001 ( 0.237 2.805 6.504) 7.087 73.007 ( -0.328 2.867 6.232) 6.868 74.429 ( 1.698 -30.103 16.841) 34.535 74.464 ( -1.665 -31.582 16.248) 35.555 ======================= Grid point 375 (130/162) ======================= q-point: ( 0.00 0.41 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.288 ( 0.000 9.570 0.315) 9.575 4.523 ( 0.000 2.195 -6.384) 6.751 4.705 ( 0.000 -0.184 0.771) 0.793 4.935 ( 0.000 16.654 0.372) 16.659 5.005 ( 0.000 -11.532 -5.700) 12.864 5.067 ( 0.000 4.600 -0.598) 4.638 5.940 ( 0.000 -11.113 15.916) 19.412 6.329 ( 0.000 -18.152 6.616) 19.320 7.988 ( 0.000 14.871 -3.974) 15.393 8.113 ( 0.000 10.796 -7.014) 12.874 8.290 ( 0.000 13.763 -13.435) 19.233 8.468 ( 0.000 9.298 -19.148) 21.286 9.352 ( 0.000 4.752 9.984) 11.057 9.478 ( 0.000 3.013 4.476) 5.396 10.123 ( 0.000 2.355 -5.199) 5.707 10.202 ( 0.000 0.182 -7.366) 7.368 10.921 ( 0.000 -0.890 6.913) 6.970 10.993 ( 0.000 0.089 3.976) 3.977 11.388 ( 0.000 3.836 -1.376) 4.075 11.642 ( 0.000 -5.883 -4.109) 7.176 12.361 ( 0.000 7.870 10.666) 13.255 12.747 ( 0.000 -0.163 2.514) 2.519 13.441 ( 0.000 12.326 -4.800) 13.228 13.442 ( 0.000 12.877 -4.711) 13.712 14.561 ( 0.000 6.033 5.232) 7.986 15.006 ( 0.000 10.428 -3.818) 11.105 15.121 ( 0.000 -8.225 -12.548) 15.003 15.478 ( 0.000 -3.797 -12.728) 13.282 15.911 ( 0.000 4.509 8.819) 9.905 16.184 ( 0.000 -2.776 4.230) 5.060 16.218 ( 0.000 7.256 8.500) 11.175 16.436 ( 0.000 0.425 7.082) 7.095 18.085 ( 0.000 -3.995 2.445) 4.684 18.186 ( 0.000 -2.241 1.699) 2.812 18.219 ( 0.000 -6.050 0.771) 6.099 18.380 ( 0.000 -7.160 0.210) 7.163 33.972 ( 0.000 5.558 0.796) 5.615 34.048 ( 0.000 3.085 -1.516) 3.438 34.590 ( 0.000 -2.105 4.658) 5.111 34.654 ( 0.000 -4.221 3.005) 5.182 36.136 ( 0.000 7.719 -0.568) 7.740 36.174 ( 0.000 9.188 -0.826) 9.225 36.580 ( 0.000 0.274 3.751) 3.761 36.676 ( 0.000 -0.400 0.883) 0.969 73.088 ( 0.000 6.698 8.134) 10.537 73.109 ( 0.000 6.675 7.420) 9.980 73.894 ( 0.000 -21.647 14.175) 25.875 73.945 ( 0.000 -23.647 13.434) 27.197 ======================= Grid point 376 (131/162) ======================= q-point: ( 0.20 0.41 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.330 ( 3.986 9.507 0.340) 10.314 4.565 ( 3.730 3.287 -6.220) 7.963 4.671 ( -3.445 3.006 0.448) 4.594 4.873 ( -5.301 4.808 -3.750) 8.079 5.003 ( 3.528 4.302 1.981) 5.905 5.181 ( 5.943 -1.490 -0.674) 6.163 5.919 ( -1.223 -12.735 13.214) 18.392 6.265 ( -6.061 -18.232 5.738) 20.052 8.006 ( 1.903 15.233 -5.003) 16.146 8.149 ( 2.915 11.341 -8.800) 14.648 8.263 ( -2.307 12.573 -12.040) 17.560 8.440 ( -2.687 8.814 -17.835) 20.075 9.395 ( 4.236 5.393 9.089) 11.385 9.531 ( 4.981 3.328 3.869) 7.131 9.987 ( -9.839 3.766 -1.778) 10.685 10.146 ( -6.827 -0.646 -6.908) 9.734 11.022 ( 8.722 -1.469 6.343) 10.884 11.080 ( 7.472 -0.231 3.171) 8.121 11.373 ( -1.546 3.113 -0.609) 3.529 11.600 ( -4.090 -5.507 -2.449) 7.284 12.438 ( 7.432 8.731 8.647) 14.361 12.815 ( 6.489 0.547 0.870) 6.570 13.274 ( -12.402 13.154 -2.396) 18.237 13.412 ( -5.981 9.911 -5.703) 12.904 14.588 ( 2.758 6.742 4.070) 8.344 14.946 ( -5.310 9.809 -3.572) 11.712 15.150 ( 2.537 -7.406 -11.638) 14.026 15.435 ( -4.046 -3.956 -12.361) 13.595 15.964 ( 4.703 4.807 8.428) 10.782 16.213 ( -0.616 6.380 7.529) 9.888 16.222 ( 3.210 -1.867 5.012) 6.237 16.424 ( -1.279 0.270 6.754) 6.880 18.099 ( 1.212 -3.811 2.322) 4.625 18.177 ( -0.732 -2.365 1.764) 3.040 18.237 ( 1.537 -6.133 0.646) 6.355 18.365 ( -1.413 -7.038 0.259) 7.183 34.002 ( 2.743 5.840 0.789) 6.501 34.068 ( 1.737 3.837 -1.225) 4.386 34.557 ( -2.831 -2.864 4.279) 5.876 34.612 ( -3.701 -4.557 2.872) 6.535 36.163 ( 2.341 8.279 -0.406) 8.613 36.200 ( 2.088 9.665 -0.802) 9.920 36.574 ( -0.492 -0.416 3.580) 3.637 36.656 ( -1.849 -0.706 1.095) 2.262 73.090 ( 0.165 6.719 8.079) 10.509 73.107 ( -0.207 6.699 7.501) 10.060 73.899 ( 0.468 -21.850 14.083) 25.999 73.940 ( -0.448 -23.468 13.484) 27.070 ======================= Grid point 377 (132/162) ======================= q-point: ( 0.40 0.41 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.439 ( 6.268 9.018 0.286) 10.986 4.569 ( -6.101 7.458 0.099) 9.636 4.658 ( 5.022 4.422 -5.422) 8.612 4.764 ( -5.254 4.708 -4.635) 8.441 5.120 ( 6.960 2.110 5.184) 8.931 5.229 ( -2.147 0.141 4.185) 4.706 5.946 ( 4.965 -16.570 6.635) 18.527 6.103 ( -9.007 -18.145 4.365) 20.722 8.067 ( 3.996 15.617 -7.798) 17.908 8.154 ( -3.658 15.973 -11.546) 20.046 8.268 ( 4.070 7.279 -9.946) 12.980 8.364 ( -4.577 7.891 -14.357) 17.010 9.519 ( 7.548 6.673 6.379) 11.924 9.635 ( 1.036 6.130 2.853) 6.840 9.821 ( -1.947 1.621 0.957) 2.708 9.958 ( -10.263 -0.170 -2.926) 10.673 11.194 ( 7.162 -0.589 3.501) 7.993 11.271 ( 8.626 -1.722 2.724) 9.209 11.321 ( -2.160 0.651 1.658) 2.800 11.476 ( -7.967 -4.518 0.725) 9.188 12.657 ( 13.673 10.583 4.455) 17.855 12.966 ( -12.618 10.034 -1.233) 16.169 13.002 ( 7.236 4.938 -0.504) 8.775 13.228 ( -11.051 6.129 -4.793) 13.515 14.676 ( 5.816 8.141 1.395) 10.101 14.813 ( -7.155 9.258 -1.498) 11.796 15.223 ( 4.599 -6.342 -11.255) 13.713 15.331 ( -5.637 -4.894 -11.647) 13.833 16.076 ( 5.656 5.430 7.718) 11.002 16.172 ( -3.422 6.096 7.396) 10.177 16.305 ( 4.281 -1.290 5.264) 6.907 16.381 ( -2.982 -0.301 6.015) 6.720 18.129 ( 1.576 -3.307 2.052) 4.199 18.158 ( -1.203 -2.700 1.862) 3.494 18.277 ( 2.322 -6.435 0.487) 6.859 18.326 ( -2.317 -6.750 0.372) 7.146 34.068 ( 3.063 6.515 0.541) 7.220 34.098 ( 0.417 5.850 -0.369) 5.877 34.505 ( -1.261 -4.837 3.418) 6.055 34.530 ( -3.426 -5.372 2.786) 6.954 36.215 ( 2.243 9.654 -0.285) 9.915 36.234 ( 0.629 10.457 -0.591) 10.493 36.573 ( 0.798 -1.707 2.884) 3.445 36.609 ( -2.441 -1.514 1.794) 3.387 73.095 ( 0.288 6.751 7.921) 10.411 73.101 ( -0.314 6.742 7.701) 10.240 73.912 ( 0.748 -22.369 13.864) 26.328 73.928 ( -0.736 -22.988 13.635) 26.737 ======================= Grid point 380 (133/162) ======================= q-point: ( 0.00 0.47 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.497 ( 0.000 11.148 -3.514) 11.689 4.576 ( 0.000 2.890 -5.348) 6.079 4.660 ( 0.000 -3.161 -3.184) 4.486 4.750 ( 0.000 -12.197 -6.273) 13.716 5.192 ( 0.000 6.221 1.467) 6.391 5.211 ( 0.000 7.080 0.280) 7.086 5.805 ( 0.000 0.278 12.778) 12.781 5.987 ( 0.000 -15.451 7.671) 17.250 8.195 ( 0.000 6.126 -4.132) 7.389 8.234 ( 0.000 2.043 -4.803) 5.219 8.509 ( 0.000 7.433 -16.801) 18.372 8.572 ( 0.000 1.100 -18.721) 18.753 9.442 ( 0.000 3.980 8.329) 9.231 9.496 ( 0.000 -1.156 6.216) 6.322 10.163 ( 0.000 1.749 -6.878) 7.097 10.192 ( 0.000 -1.095 -8.274) 8.347 10.925 ( 0.000 1.261 9.022) 9.110 10.964 ( 0.000 -2.341 7.709) 8.056 11.460 ( 0.000 3.745 -2.505) 4.505 11.541 ( 0.000 -4.500 -3.893) 5.950 12.537 ( 0.000 9.013 8.400) 12.321 12.688 ( 0.000 -5.684 5.816) 8.132 13.613 ( 0.000 4.846 -3.896) 6.218 13.618 ( 0.000 4.436 -3.504) 5.653 14.712 ( 0.000 9.284 -0.485) 9.296 14.920 ( 0.000 -11.197 -7.303) 13.368 15.205 ( 0.000 9.424 -8.321) 12.572 15.370 ( 0.000 -7.073 -11.162) 13.215 16.008 ( 0.000 5.252 8.685) 10.150 16.110 ( 0.000 -4.696 7.027) 8.452 16.344 ( 0.000 5.208 8.553) 10.014 16.419 ( 0.000 -2.329 8.280) 8.601 18.055 ( 0.000 0.852 1.238) 1.502 18.111 ( 0.000 -4.530 0.537) 4.562 18.184 ( 0.000 1.895 0.466) 1.952 18.256 ( 0.000 -5.199 -0.071) 5.200 34.067 ( 0.000 3.512 0.390) 3.533 34.093 ( 0.000 0.899 -0.402) 0.984 34.553 ( 0.000 -0.944 3.397) 3.526 34.574 ( 0.000 -3.073 2.864) 4.201 36.260 ( 0.000 4.394 0.783) 4.464 36.289 ( 0.000 2.013 0.355) 2.044 36.601 ( 0.000 1.985 2.385) 3.103 36.649 ( 0.000 -2.290 1.104) 2.542 73.262 ( 0.000 10.858 9.722) 14.575 73.282 ( 0.000 10.900 9.215) 14.273 73.527 ( 0.000 -15.678 11.609) 19.508 73.553 ( 0.000 -16.339 11.177) 19.796 ======================= Grid point 381 (134/162) ======================= q-point: ( 0.20 0.47 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.523 ( 2.673 9.752 -2.885) 10.516 4.628 ( 4.139 3.201 -5.524) 7.608 4.666 ( 0.639 -2.751 -2.800) 3.977 4.752 ( -0.277 -9.022 -5.482) 10.560 5.206 ( 1.864 8.242 1.998) 8.683 5.260 ( 4.648 4.955 0.468) 6.810 5.744 ( -5.587 -1.601 11.312) 12.718 5.918 ( -6.440 -15.810 6.563) 18.289 8.220 ( 2.385 6.461 -5.226) 8.646 8.266 ( 2.970 1.645 -5.992) 6.887 8.474 ( -3.272 7.334 -15.466) 17.426 8.537 ( -3.222 0.925 -17.196) 17.520 9.495 ( 5.128 4.348 7.094) 9.774 9.553 ( 5.443 -1.125 5.092) 7.537 10.056 ( -8.743 3.285 -4.224) 10.250 10.115 ( -7.449 -2.466 -6.453) 10.159 11.016 ( 7.939 0.910 7.686) 11.088 11.050 ( 7.469 -2.154 6.455) 10.104 11.433 ( -2.707 3.235 -1.190) 4.383 11.506 ( -3.448 -4.143 -2.375) 5.890 12.621 ( 8.106 9.033 6.793) 13.908 12.768 ( 7.635 -5.246 4.289) 10.209 13.473 ( -11.864 6.725 -2.091) 13.797 13.527 ( -9.446 1.517 -3.324) 10.128 14.749 ( 3.653 9.549 -1.557) 10.341 14.954 ( 3.264 -10.458 -7.666) 13.371 15.149 ( -5.196 9.312 -7.593) 13.091 15.319 ( -4.755 -7.514 -10.752) 13.953 16.063 ( 4.868 5.107 8.360) 10.939 16.157 ( 4.272 -4.183 7.005) 9.210 16.332 ( -1.308 4.988 8.163) 9.655 16.405 ( -1.458 -2.310 7.917) 8.375 18.070 ( 1.422 0.881 1.150) 2.030 18.126 ( 1.377 -4.404 0.509) 4.642 18.174 ( -0.892 1.645 0.501) 1.937 18.243 ( -1.189 -5.071 -0.001) 5.209 34.104 ( 3.508 3.852 0.582) 5.242 34.128 ( 3.315 1.503 -0.149) 3.642 34.505 ( -4.394 -1.539 3.041) 5.561 34.524 ( -4.536 -3.433 2.554) 6.236 36.296 ( 3.303 4.811 0.942) 5.912 36.327 ( 3.393 2.465 0.414) 4.214 36.578 ( -2.156 1.341 2.353) 3.462 36.623 ( -2.418 -2.510 1.143) 3.668 73.264 ( 0.204 10.903 9.670) 14.574 73.280 ( -0.162 10.945 9.257) 14.336 73.529 ( 0.215 -15.788 11.569) 19.574 73.550 ( -0.260 -16.314 11.217) 19.800 ======================= Grid point 382 (135/162) ======================= q-point: ( 0.40 0.47 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.596 ( 3.995 7.256 -2.249) 8.583 4.661 ( -1.555 3.000 -2.507) 4.207 4.706 ( 2.370 -0.511 -5.071) 5.621 4.735 ( -0.953 -5.343 -4.633) 7.136 5.286 ( 5.878 11.912 4.125) 13.909 5.361 ( 2.135 10.702 2.954) 11.306 5.636 ( -1.605 -12.717 6.417) 14.334 5.747 ( -9.243 -17.076 4.233) 19.873 8.290 ( 4.328 6.966 -8.194) 11.593 8.347 ( 4.644 1.235 -9.345) 10.508 8.388 ( -4.726 6.952 -11.942) 14.603 8.450 ( -4.967 0.715 -13.435) 14.342 9.641 ( 8.738 5.247 3.906) 10.916 9.704 ( 8.430 -0.157 2.055) 8.678 9.857 ( -9.547 2.904 -0.211) 9.981 9.924 ( -10.229 -3.060 -2.306) 10.923 11.195 ( 8.543 0.929 5.036) 9.961 11.229 ( 9.208 -2.278 4.272) 10.403 11.346 ( -5.889 2.011 1.922) 6.513 11.400 ( -6.951 -3.342 1.033) 7.782 12.854 ( 14.210 8.829 3.479) 17.088 12.983 ( 12.926 -3.748 1.100) 13.503 13.175 ( -16.103 7.829 0.544) 17.914 13.273 ( -14.300 -1.622 -1.472) 14.467 14.856 ( 6.634 9.902 -3.753) 12.496 15.002 ( -6.071 8.596 -6.423) 12.329 15.060 ( 4.528 -8.466 -7.972) 12.479 15.193 ( -6.986 -8.577 -9.641) 14.674 16.179 ( 5.873 4.845 7.800) 10.900 16.261 ( 5.245 -3.183 6.948) 9.269 16.281 ( -3.774 4.695 7.700) 9.777 16.354 ( -3.608 -2.528 7.283) 8.511 18.107 ( 2.014 1.058 0.934) 2.459 18.145 ( -1.432 1.209 0.750) 2.019 18.166 ( 1.901 -4.367 0.294) 4.772 18.209 ( -2.038 -4.794 0.166) 5.212 34.197 ( 4.749 5.809 0.999) 7.570 34.212 ( 3.869 4.801 0.527) 6.188 34.400 ( -4.597 -4.726 2.265) 6.971 34.413 ( -5.262 -5.522 1.908) 7.863 36.377 ( 3.970 6.388 1.104) 7.601 36.402 ( 2.701 5.632 0.507) 6.266 36.527 ( -1.812 -2.292 2.214) 3.666 36.557 ( -3.607 -3.608 1.361) 5.281 73.269 ( 0.312 10.985 9.535) 14.550 73.276 ( -0.286 11.007 9.376) 14.462 73.535 ( 0.373 -16.022 11.461) 19.703 73.543 ( -0.400 -16.218 11.325) 19.785 ======================= Grid point 425 (136/162) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 0.000 0.000 19.520) 19.520 3.263 ( 0.000 0.000 21.473) 21.473 3.302 ( 0.000 0.000 -13.952) 13.952 3.651 ( 0.000 0.000 -16.209) 16.209 4.166 ( 0.000 0.000 10.401) 10.401 4.367 ( 0.000 0.000 -9.206) 9.206 4.887 ( 0.000 0.000 12.088) 12.088 4.956 ( 0.000 0.000 4.290) 4.290 6.445 ( 0.000 0.000 12.809) 12.809 6.623 ( 0.000 0.000 -4.171) 4.171 7.977 ( 0.000 0.000 6.680) 6.680 8.041 ( 0.000 0.000 -0.836) 0.836 8.323 ( 0.000 0.000 0.110) 0.110 8.349 ( 0.000 0.000 -2.334) 2.334 9.648 ( 0.000 0.000 -3.815) 3.815 9.721 ( 0.000 0.000 -7.139) 7.139 9.928 ( 0.000 0.000 2.647) 2.647 9.995 ( 0.000 0.000 -3.850) 3.850 10.601 ( 0.000 0.000 5.284) 5.284 10.685 ( 0.000 0.000 -5.645) 5.645 11.936 ( 0.000 0.000 -0.761) 0.761 11.990 ( 0.000 0.000 -6.011) 6.011 12.828 ( 0.000 0.000 15.083) 15.083 12.968 ( 0.000 0.000 10.242) 10.242 13.178 ( 0.000 0.000 -10.254) 10.254 13.183 ( 0.000 0.000 -19.072) 19.072 13.212 ( 0.000 0.000 10.132) 10.132 13.414 ( 0.000 0.000 -9.696) 9.696 16.055 ( 0.000 0.000 17.385) 17.385 16.398 ( 0.000 0.000 -16.256) 16.256 16.596 ( 0.000 0.000 11.079) 11.079 16.842 ( 0.000 0.000 -12.744) 12.744 19.104 ( 0.000 0.000 8.473) 8.473 19.213 ( 0.000 0.000 -0.751) 0.751 19.393 ( 0.000 0.000 4.622) 4.622 19.505 ( 0.000 0.000 -4.324) 4.324 33.677 ( 0.000 0.000 10.179) 10.179 33.693 ( 0.000 0.000 8.426) 8.426 33.907 ( 0.000 0.000 -7.861) 7.861 33.928 ( 0.000 0.000 -9.735) 9.735 34.472 ( 0.000 0.000 7.646) 7.646 34.663 ( 0.000 0.000 -11.162) 11.162 36.936 ( 0.000 0.000 2.280) 2.280 36.971 ( 0.000 0.000 -1.144) 1.144 73.400 ( 0.000 0.000 3.476) 3.476 73.478 ( 0.000 0.000 -4.045) 4.045 78.922 ( 0.000 0.000 40.709) 40.709 79.700 ( 0.000 0.000 -35.949) 35.949 ======================= Grid point 426 (137/162) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( 3.546 0.000 17.126) 17.490 3.213 ( -3.666 0.000 17.953) 18.324 3.276 ( -2.543 0.000 -9.677) 10.006 3.512 ( -11.427 0.000 -10.971) 15.841 4.182 ( 1.542 0.000 7.391) 7.551 4.346 ( -2.007 0.000 -8.217) 8.459 4.911 ( 3.360 0.000 12.603) 13.043 5.034 ( 4.054 0.000 0.183) 4.058 6.539 ( 9.950 0.000 15.620) 18.520 6.764 ( 11.336 0.000 -6.245) 12.942 7.898 ( -7.155 0.000 8.105) 10.812 7.982 ( -5.701 0.000 -1.326) 5.853 8.325 ( 0.202 0.000 -0.110) 0.230 8.346 ( -0.257 0.000 -2.085) 2.101 9.661 ( 1.255 0.000 -4.308) 4.487 9.723 ( 0.154 0.000 -7.453) 7.454 9.935 ( 0.626 0.000 2.016) 2.111 9.989 ( -0.580 0.000 -3.238) 3.290 10.557 ( -3.503 0.000 5.436) 6.467 10.633 ( -4.462 0.000 -4.048) 6.025 12.004 ( 6.675 0.000 1.624) 6.870 12.112 ( 10.567 0.000 -9.253) 14.046 12.727 ( -8.957 0.000 14.142) 16.740 12.978 ( 1.036 0.000 9.598) 9.654 13.064 ( -10.932 0.000 -18.424) 21.423 13.122 ( -3.273 0.000 0.689) 3.344 13.267 ( 3.200 0.000 -0.754) 3.288 13.405 ( -0.967 0.000 -9.122) 9.173 16.098 ( 3.826 0.000 14.451) 14.949 16.341 ( -3.762 0.000 -7.214) 8.136 16.664 ( 4.651 0.000 3.186) 5.637 16.831 ( -1.098 0.000 -10.668) 10.724 19.127 ( 2.112 0.000 8.595) 8.850 19.226 ( 0.847 0.000 1.373) 1.613 19.397 ( 0.664 0.000 2.763) 2.842 19.504 ( -0.295 0.000 -4.962) 4.970 33.678 ( 0.133 0.000 10.026) 10.027 33.691 ( -0.155 0.000 8.610) 8.612 33.909 ( 0.205 0.000 -8.056) 8.059 33.926 ( -0.182 0.000 -9.570) 9.572 34.495 ( 2.189 0.000 5.696) 6.102 34.650 ( -1.264 0.000 -9.512) 9.596 36.936 ( 0.041 0.000 1.938) 1.939 36.965 ( -0.588 0.000 -0.851) 1.034 73.401 ( 0.140 0.000 3.097) 3.100 73.465 ( -1.237 0.000 -3.016) 3.260 78.973 ( 5.007 0.000 33.673) 34.044 79.600 ( -9.178 0.000 -28.089) 29.550 ======================= Grid point 427 (138/162) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 5.332 0.000 10.280) 11.581 3.175 ( 1.162 0.000 9.476) 9.547 3.201 ( -4.733 0.000 0.224) 4.738 3.283 ( -9.227 0.000 -0.933) 9.274 4.228 ( 2.860 0.000 0.846) 2.982 4.291 ( -3.127 0.000 -4.948) 5.853 4.998 ( 4.297 0.000 7.970) 9.055 5.061 ( -1.347 0.000 1.718) 2.183 6.812 ( 13.982 0.000 12.377) 18.673 6.953 ( 3.073 0.000 -1.324) 3.346 7.757 ( -3.410 0.000 6.769) 7.579 7.828 ( -8.085 0.000 -0.596) 8.107 8.331 ( 0.353 0.000 -0.697) 0.782 8.339 ( -0.388 0.000 -1.450) 1.501 9.694 ( 1.732 0.000 -5.873) 6.123 9.720 ( -0.664 0.000 -7.314) 7.344 9.952 ( 0.989 0.000 0.377) 1.059 9.972 ( -0.961 0.000 -1.629) 1.891 10.504 ( -0.755 0.000 4.258) 4.324 10.539 ( -3.887 0.000 0.109) 3.888 12.186 ( 10.419 0.000 4.471) 11.338 12.328 ( 4.222 0.000 -7.442) 8.557 12.556 ( -1.190 0.000 4.523) 4.677 12.782 ( -15.381 0.000 -15.262) 21.669 13.010 ( 2.007 0.000 7.751) 8.007 13.059 ( -2.808 0.000 4.862) 5.615 13.328 ( 2.691 0.000 -4.770) 5.477 13.375 ( -1.892 0.000 -7.452) 7.688 16.188 ( 4.511 0.000 7.861) 9.064 16.269 ( -3.468 0.000 0.720) 3.542 16.745 ( 3.124 0.000 -2.079) 3.753 16.797 ( -2.143 0.000 -6.310) 6.664 19.180 ( 2.741 0.000 8.656) 9.079 19.224 ( -1.303 0.000 6.647) 6.774 19.432 ( 2.608 0.000 -2.665) 3.728 19.483 ( -1.935 0.000 -5.224) 5.571 33.682 ( 0.225 0.000 9.612) 9.615 33.687 ( -0.238 0.000 9.073) 9.076 33.914 ( 0.318 0.000 -8.549) 8.555 33.921 ( -0.304 0.000 -9.126) 9.131 34.552 ( 3.084 0.000 0.754) 3.175 34.611 ( -2.510 0.000 -5.051) 5.640 36.940 ( 0.356 0.000 1.042) 1.101 36.951 ( -0.696 0.000 -0.035) 0.697 73.410 ( 0.830 0.000 1.746) 1.934 73.435 ( -1.513 0.000 -0.606) 1.630 79.127 ( 10.040 0.000 15.151) 18.176 79.366 ( -12.595 0.000 -8.284) 15.075 ======================= Grid point 430 (139/162) ======================= q-point: ( 0.00 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( 0.000 23.552 15.598) 28.249 3.274 ( 0.000 3.659 16.520) 16.920 3.587 ( 0.000 24.413 -8.050) 25.707 3.703 ( 0.000 6.509 -13.689) 15.158 4.360 ( 0.000 18.091 10.030) 20.685 4.554 ( 0.000 17.530 -8.790) 19.610 4.902 ( 0.000 2.091 11.218) 11.411 4.970 ( 0.000 2.051 3.549) 4.099 6.432 ( 0.000 -0.881 11.547) 11.580 6.593 ( 0.000 -2.687 -3.803) 4.657 7.920 ( 0.000 -4.654 6.567) 8.049 7.998 ( 0.000 -3.690 -1.963) 4.180 8.525 ( 0.000 17.696 2.532) 17.876 8.573 ( 0.000 20.723 -2.343) 20.855 9.642 ( 0.000 0.295 -4.305) 4.315 9.686 ( 0.000 -2.944 -5.439) 6.184 10.014 ( 0.000 7.796 -0.267) 7.801 10.033 ( 0.000 3.240 -2.229) 3.933 10.610 ( 0.000 1.427 5.663) 5.841 10.712 ( 0.000 3.216 -6.431) 7.190 11.967 ( 0.000 3.368 -1.541) 3.704 11.994 ( 0.000 0.487 -3.911) 3.942 12.630 ( 0.000 -12.794 10.134) 16.322 12.819 ( 0.000 -11.458 -5.885) 12.881 13.247 ( 0.000 13.760 9.126) 16.511 13.429 ( 0.000 18.104 -8.940) 20.191 13.518 ( 0.000 18.926 -2.118) 19.044 13.591 ( 0.000 17.170 -7.199) 18.618 16.031 ( 0.000 -2.447 17.681) 17.850 16.378 ( 0.000 -1.944 -16.409) 16.524 16.533 ( 0.000 -6.021 10.984) 12.526 16.774 ( 0.000 -6.558 -12.363) 13.995 19.063 ( 0.000 -4.027 8.004) 8.960 19.165 ( 0.000 -4.789 -0.692) 4.839 19.339 ( 0.000 -5.349 4.565) 7.032 19.443 ( 0.000 -6.033 -3.768) 7.113 33.711 ( 0.000 2.466 10.204) 10.498 33.773 ( 0.000 7.461 8.180) 11.071 33.918 ( 0.000 -0.502 -9.779) 9.792 33.932 ( 0.000 3.556 -6.914) 7.775 34.546 ( 0.000 7.222 6.708) 9.857 34.726 ( 0.000 6.223 -10.837) 12.496 36.913 ( 0.000 -2.226 2.185) 3.119 36.946 ( 0.000 -2.471 -0.999) 2.666 73.367 ( 0.000 -3.224 3.235) 4.568 73.437 ( 0.000 -4.009 -3.485) 5.312 78.686 ( 0.000 -23.263 38.132) 44.668 79.393 ( 0.000 -30.054 -31.273) 43.374 ======================= Grid point 431 (140/162) ======================= q-point: ( 0.20 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -2.891 4.974 15.560) 16.590 3.261 ( 2.245 20.029 12.526) 23.729 3.530 ( -6.498 18.099 -4.749) 19.808 3.587 ( -7.567 14.370 -9.885) 19.012 4.384 ( 2.050 18.944 7.116) 20.340 4.538 ( -1.543 18.137 -7.614) 19.731 4.925 ( 3.143 1.948 11.714) 12.284 5.042 ( 3.789 1.345 -0.113) 4.023 6.525 ( 9.824 -1.065 14.464) 17.517 6.735 ( 11.466 -2.638 -5.966) 13.192 7.842 ( -7.052 -4.631 7.812) 11.498 7.937 ( -5.871 -3.878 -2.359) 7.421 8.529 ( 0.457 18.188 2.166) 18.322 8.570 ( -0.314 20.768 -1.926) 20.859 9.625 ( -1.418 -2.438 -4.686) 5.469 9.658 ( -2.310 -4.919 -5.471) 7.711 10.051 ( 3.177 9.720 -0.596) 10.243 10.061 ( 2.574 6.212 -1.796) 6.960 10.576 ( -2.934 2.164 5.204) 6.354 10.662 ( -4.547 3.492 -4.911) 7.549 12.008 ( 4.960 0.569 1.921) 5.350 12.108 ( 9.358 -0.056 -7.935) 12.270 12.554 ( -7.030 -11.557 10.313) 17.010 12.769 ( -5.193 -11.852 -8.547) 15.508 13.247 ( 0.157 15.658 9.113) 18.117 13.418 ( -2.475 20.744 -6.005) 21.737 13.472 ( -1.913 15.965 -2.051) 16.210 13.572 ( -1.818 16.466 -8.145) 18.460 16.075 ( 3.944 -2.286 14.815) 15.500 16.318 ( -3.792 -2.336 -6.106) 7.558 16.607 ( 4.786 -5.506 1.905) 7.540 16.765 ( -0.921 -6.396 -10.474) 12.307 19.083 ( 1.871 -4.286 8.076) 9.332 19.175 ( 0.624 -5.041 1.243) 5.229 19.343 ( 0.710 -5.262 2.857) 6.030 19.442 ( -0.277 -6.053 -4.310) 7.436 33.718 ( 0.595 2.942 10.021) 10.461 33.768 ( -0.528 6.985 8.434) 10.963 33.919 ( 0.126 -0.087 -9.535) 9.536 33.931 ( -0.114 3.199 -7.205) 7.884 34.568 ( 2.017 7.061 4.890) 8.823 34.713 ( -1.238 6.250 -9.299) 11.272 36.914 ( 0.041 -2.223 1.866) 2.903 36.940 ( -0.543 -2.423 -0.726) 2.588 73.367 ( 0.102 -3.257 2.899) 4.361 73.425 ( -1.132 -3.898 -2.565) 4.801 78.733 ( 4.645 -23.604 31.717) 39.808 79.303 ( -8.230 -29.066 -24.230) 38.725 ======================= Grid point 432 (141/162) ======================= q-point: ( 0.40 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 0.863 3.105 9.416) 9.953 3.272 ( -4.244 5.215 3.112) 7.409 3.404 ( 0.328 23.713 5.548) 24.356 3.478 ( -4.682 24.696 -0.882) 25.152 4.435 ( 2.828 19.540 1.243) 19.783 4.493 ( -2.703 19.075 -4.153) 19.708 5.007 ( 4.062 1.368 7.285) 8.452 5.067 ( -1.309 1.084 1.327) 2.156 6.794 ( 13.833 -1.511 11.830) 18.265 6.930 ( 3.478 -2.091 -1.318) 4.267 7.702 ( -3.397 -4.767 6.153) 8.493 7.777 ( -8.463 -4.414 -1.513) 9.664 8.543 ( 0.855 19.422 0.952) 19.464 8.560 ( -0.703 20.478 -0.676) 20.501 9.601 ( -0.499 -6.541 -5.236) 8.393 9.613 ( -1.655 -7.359 -5.543) 9.361 10.117 ( 2.454 12.574 -1.032) 12.853 10.120 ( 2.237 12.112 -1.466) 12.404 10.522 ( -1.201 2.115 3.311) 4.108 10.559 ( -4.470 2.661 -0.956) 5.289 12.157 ( 9.089 -2.659 5.438) 10.920 12.319 ( 4.299 -0.266 -6.996) 8.215 12.391 ( -1.883 -11.979 4.151) 12.817 12.601 ( -10.964 -10.298 -12.017) 19.253 13.265 ( 1.870 18.789 8.118) 20.553 13.329 ( -4.378 20.871 4.290) 21.753 13.484 ( 1.797 14.467 -7.452) 16.372 13.528 ( -2.325 14.982 -8.528) 17.395 16.167 ( 4.538 -2.094 8.416) 9.788 16.248 ( -3.378 -2.169 1.557) 4.306 16.687 ( 3.011 -5.577 -2.879) 6.961 16.736 ( -1.904 -5.976 -6.559) 9.075 19.131 ( 2.466 -4.813 7.971) 9.633 19.171 ( -1.213 -5.194 5.945) 7.987 19.376 ( 2.360 -5.461 -1.971) 6.267 19.422 ( -1.751 -5.900 -4.440) 7.588 33.734 ( 0.919 4.184 9.565) 10.481 33.753 ( -0.882 5.727 8.988) 10.694 33.923 ( 0.217 0.983 -8.850) 8.907 33.927 ( -0.206 2.238 -7.953) 8.265 34.620 ( 2.880 6.701 0.280) 7.300 34.676 ( -2.396 6.390 -5.137) 8.541 36.917 ( 0.333 -2.242 1.032) 2.491 36.927 ( -0.645 -2.320 0.032) 2.408 73.375 ( 0.729 -3.389 1.694) 3.859 73.397 ( -1.370 -3.638 -0.409) 3.909 78.876 ( 9.191 -24.784 14.854) 30.321 79.093 ( -11.389 -26.850 -6.392) 29.858 ======================= Grid point 435 (142/162) ======================= q-point: ( 0.00 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( 0.000 8.683 15.550) 17.810 3.618 ( 0.000 11.639 -3.359) 12.114 4.026 ( 0.000 24.748 4.140) 25.092 4.139 ( 0.000 26.401 -4.751) 26.825 4.783 ( 0.000 22.079 9.683) 24.109 4.946 ( 0.000 18.363 -4.970) 19.024 5.031 ( 0.000 13.459 8.788) 16.074 5.131 ( 0.000 18.400 -3.026) 18.647 6.445 ( 0.000 3.537 7.345) 8.152 6.541 ( 0.000 -1.702 -1.647) 2.368 7.808 ( 0.000 -6.719 6.504) 9.351 7.898 ( 0.000 -6.592 -2.785) 7.156 8.897 ( 0.000 16.410 7.936) 18.228 9.055 ( 0.000 23.310 -6.451) 24.186 9.658 ( 0.000 3.099 0.466) 3.134 9.717 ( 0.000 9.028 -6.401) 11.067 10.088 ( 0.000 1.535 1.400) 2.077 10.177 ( 0.000 6.694 -6.559) 9.371 10.712 ( 0.000 11.153 6.117) 12.720 10.844 ( 0.000 11.009 -7.305) 13.212 11.996 ( 0.000 -1.297 3.668) 3.890 12.070 ( 0.000 6.664 -4.730) 8.172 12.426 ( 0.000 -6.678 5.871) 8.892 12.606 ( 0.000 -9.538 -9.554) 13.500 13.618 ( 0.000 22.005 10.071) 24.200 13.824 ( 0.000 21.677 -9.990) 23.868 13.910 ( 0.000 20.020 2.025) 20.122 14.016 ( 0.000 23.732 -7.325) 24.837 15.961 ( 0.000 -4.423 18.089) 18.622 16.320 ( 0.000 -3.955 -17.023) 17.477 16.384 ( 0.000 -8.165 10.854) 13.582 16.608 ( 0.000 -9.283 -10.836) 14.269 18.952 ( 0.000 -6.973 6.607) 9.606 19.032 ( 0.000 -8.373 -0.569) 8.392 19.192 ( 0.000 -9.176 4.739) 10.328 19.283 ( 0.000 -9.615 -2.791) 10.012 33.737 ( 0.000 0.206 6.754) 6.757 33.858 ( 0.000 -0.625 -3.966) 4.015 34.026 ( 0.000 12.748 1.871) 12.884 34.079 ( 0.000 10.892 -1.690) 11.023 34.741 ( 0.000 12.150 4.909) 13.104 34.897 ( 0.000 10.685 -9.980) 14.621 36.852 ( 0.000 -3.800 1.940) 4.267 36.879 ( 0.000 -4.188 -0.622) 4.234 73.281 ( 0.000 -5.141 2.664) 5.790 73.331 ( 0.000 -6.303 -2.091) 6.640 78.046 ( 0.000 -40.031 31.631) 51.019 78.581 ( 0.000 -49.799 -20.492) 53.850 ======================= Grid point 436 (143/162) ======================= q-point: ( 0.20 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( -3.870 8.115 13.400) 16.137 3.537 ( -7.510 7.982 -3.979) 11.660 3.993 ( -1.239 29.302 7.582) 30.293 4.116 ( -2.137 27.359 -3.957) 27.726 4.838 ( 4.155 24.288 6.561) 25.500 4.960 ( 0.580 20.527 -3.849) 20.893 5.044 ( 1.713 12.399 8.363) 15.054 5.160 ( 1.702 14.895 -3.316) 15.354 6.527 ( 8.920 2.371 10.612) 14.064 6.681 ( 11.415 -1.870 -4.374) 12.367 7.730 ( -7.094 -6.696 7.341) 12.209 7.833 ( -6.259 -6.786 -3.164) 9.759 8.923 ( 2.532 17.980 7.327) 19.580 9.061 ( 0.410 24.755 -5.074) 25.273 9.580 ( -6.068 -0.892 -1.059) 6.224 9.620 ( -7.165 3.286 -5.310) 9.505 10.195 ( 8.236 7.099 0.245) 10.876 10.260 ( 6.978 9.947 -5.025) 13.149 10.683 ( -2.820 10.799 5.470) 12.429 10.805 ( -3.945 11.626 -6.685) 13.979 12.009 ( 1.841 -1.864 4.996) 5.641 12.117 ( 3.903 0.892 -5.529) 6.826 12.383 ( -3.674 -4.113 5.060) 7.485 12.567 ( -3.814 -8.149 -10.577) 13.886 13.630 ( 1.231 21.813 9.681) 23.897 13.815 ( -1.778 19.101 -4.904) 19.801 13.874 ( -1.969 23.464 -1.382) 23.587 13.985 ( -2.731 23.452 -7.991) 24.926 16.010 ( 4.330 -4.122 15.579) 16.687 16.251 ( -3.528 -4.234 -2.552) 6.074 16.469 ( 4.735 -7.725 -2.216) 9.327 16.602 ( -0.641 -9.213 -9.589) 13.313 18.966 ( 1.322 -7.311 6.666) 9.982 19.038 ( 0.321 -8.469 0.882) 8.521 19.197 ( 0.711 -9.184 3.313) 9.789 19.281 ( -0.352 -9.769 -3.073) 10.247 33.751 ( 1.305 0.404 6.136) 6.286 33.850 ( -0.769 -0.156 -2.395) 2.520 34.027 ( 0.167 12.116 1.065) 12.164 34.072 ( -0.638 10.755 -1.755) 10.916 34.760 ( 1.719 12.009 3.351) 12.585 34.885 ( -1.101 10.804 -8.667) 13.894 36.852 ( 0.042 -3.794 1.681) 4.150 36.874 ( -0.428 -4.111 -0.402) 4.152 73.281 ( 0.017 -5.180 2.434) 5.724 73.322 ( -0.863 -6.127 -1.434) 6.352 78.084 ( 3.716 -40.579 26.728) 48.733 78.516 ( -6.016 -48.449 -15.336) 51.173 ======================= Grid point 437 (144/162) ======================= q-point: ( 0.40 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 0.052 7.159 7.676) 10.497 3.371 ( -6.952 6.406 0.646) 9.475 4.006 ( 2.125 31.120 5.752) 31.718 4.062 ( -2.961 29.576 0.254) 29.725 4.911 ( 2.754 25.641 3.067) 25.970 4.953 ( -1.267 23.873 -0.341) 23.909 5.102 ( 3.514 10.902 3.927) 12.109 5.162 ( -1.721 11.951 -1.588) 12.178 6.775 ( 12.748 0.343 9.655) 15.995 6.887 ( 4.640 -1.459 -1.197) 5.009 7.584 ( -3.795 -7.073 5.317) 9.628 7.663 ( -9.014 -7.221 -2.360) 11.788 8.993 ( 3.887 22.698 4.759) 23.515 9.055 ( -1.589 26.743 -0.445) 26.794 9.477 ( -2.750 -6.040 -3.566) 7.534 9.494 ( -4.189 -3.327 -4.994) 7.318 10.362 ( 7.192 12.523 0.680) 14.457 10.406 ( 5.047 15.227 -2.430) 16.225 10.616 ( -2.022 8.927 1.885) 9.345 10.689 ( -6.763 11.386 -4.800) 14.086 12.079 ( 4.712 -5.900 6.308) 9.839 12.166 ( -1.732 -10.028 2.073) 10.385 12.343 ( 2.508 2.886 -5.337) 6.565 12.457 ( -6.547 -3.574 -11.370) 13.598 13.669 ( 2.667 21.066 8.431) 22.846 13.740 ( -4.207 19.488 5.555) 20.696 13.876 ( 1.530 24.263 -8.684) 25.816 13.923 ( -2.915 23.488 -8.885) 25.281 16.109 ( 4.711 -3.657 10.033) 11.671 16.188 ( -3.103 -3.643 4.074) 6.285 16.544 ( 2.546 -8.270 -5.366) 10.182 16.582 ( -1.353 -8.870 -7.244) 11.532 19.001 ( 1.875 -7.968 6.389) 10.384 19.032 ( -1.014 -8.432 4.471) 9.597 19.225 ( 1.897 -9.487 -0.536) 9.690 19.263 ( -1.476 -9.830 -2.850) 10.341 33.786 ( 1.977 0.757 4.276) 4.771 33.825 ( -1.698 0.640 1.152) 2.150 34.036 ( 0.742 10.987 -0.636) 11.030 34.055 ( -0.977 10.579 -1.624) 10.748 34.805 ( 2.456 11.619 -0.560) 11.889 34.852 ( -2.077 11.147 -5.136) 12.448 36.855 ( 0.272 -3.823 1.009) 3.963 36.864 ( -0.511 -3.946 0.205) 3.984 73.285 ( 0.488 -5.359 1.592) 5.612 73.301 ( -1.012 -5.725 0.101) 5.815 78.196 ( 7.103 -42.378 13.894) 45.159 78.361 ( -8.515 -45.363 -2.108) 46.204 ======================= Grid point 440 (145/162) ======================= q-point: ( 0.00 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( 0.000 12.631 12.033) 17.446 3.803 ( 0.000 8.846 -6.005) 10.691 4.371 ( 0.000 8.271 8.241) 11.676 4.456 ( 0.000 6.140 -0.185) 6.142 5.190 ( 0.000 14.292 9.037) 16.909 5.345 ( 0.000 18.345 -5.162) 19.057 5.473 ( 0.000 32.558 6.915) 33.285 5.620 ( 0.000 30.050 -8.384) 31.198 6.580 ( 0.000 7.104 4.769) 8.556 6.633 ( 0.000 16.344 -0.399) 16.348 7.656 ( 0.000 -8.242 4.562) 9.421 7.731 ( 0.000 -10.337 -2.820) 10.715 9.104 ( 0.000 5.704 8.491) 10.229 9.286 ( 0.000 1.863 -7.528) 7.755 9.943 ( 0.000 21.665 2.218) 21.779 9.988 ( 0.000 14.816 -1.543) 14.897 10.091 ( 0.000 -0.105 3.499) 3.500 10.254 ( 0.000 2.928 -11.372) 11.743 11.098 ( 0.000 27.011 2.034) 27.088 11.168 ( 0.000 21.607 -4.378) 22.046 11.911 ( 0.000 -6.888 13.501) 15.156 12.187 ( 0.000 3.187 -13.091) 13.474 12.389 ( 0.000 2.056 0.868) 2.232 12.470 ( 0.000 -2.703 -6.639) 7.169 14.062 ( 0.000 21.778 9.557) 23.782 14.258 ( 0.000 21.237 -9.657) 23.330 14.280 ( 0.000 16.709 7.397) 18.273 14.478 ( 0.000 22.088 -10.796) 24.585 15.873 ( 0.000 -3.685 17.001) 17.396 16.224 ( 0.000 -5.496 -17.231) 18.086 16.242 ( 0.000 -5.601 11.219) 12.540 16.448 ( 0.000 -6.175 -8.360) 10.394 18.798 ( 0.000 -8.286 4.326) 9.347 18.844 ( 0.000 -10.325 -0.169) 10.326 18.990 ( 0.000 -10.874 5.443) 12.160 19.080 ( 0.000 -10.609 -2.426) 10.883 33.739 ( 0.000 0.355 4.428) 4.442 33.839 ( 0.000 -0.700 -5.385) 5.431 34.309 ( 0.000 14.597 2.994) 14.900 34.323 ( 0.000 12.756 2.099) 12.927 35.012 ( 0.000 14.950 3.074) 15.263 35.135 ( 0.000 13.048 -8.590) 15.622 36.771 ( 0.000 -4.145 1.676) 4.471 36.790 ( 0.000 -4.469 -0.177) 4.472 73.177 ( 0.000 -5.067 2.091) 5.482 73.205 ( 0.000 -6.128 -0.466) 6.146 77.167 ( 0.000 -47.353 23.818) 53.005 77.513 ( 0.000 -56.185 -9.569) 56.994 ======================= Grid point 441 (146/162) ======================= q-point: ( 0.20 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.549 ( -4.762 12.028 10.135) 16.433 3.698 ( -8.564 8.898 -3.998) 12.981 4.395 ( 2.041 9.819 7.563) 12.561 4.471 ( 0.725 8.226 -0.458) 8.271 5.253 ( 4.930 13.965 8.425) 17.038 5.363 ( 1.600 19.345 -1.905) 19.504 5.487 ( 1.284 33.082 5.235) 33.518 5.625 ( 0.051 29.304 -8.515) 30.516 6.649 ( 7.088 8.793 6.228) 12.898 6.734 ( 8.939 10.701 -2.107) 14.101 7.580 ( -7.078 -8.170 4.935) 11.883 7.665 ( -6.409 -10.210 -3.350) 12.512 9.148 ( 4.336 5.780 7.604) 10.489 9.309 ( 2.174 1.227 -6.447) 6.913 9.749 ( -12.309 7.310 0.884) 14.343 9.761 ( -12.478 15.553 -0.286) 19.942 10.354 ( 14.630 9.680 0.763) 17.559 10.443 ( 13.203 9.964 -7.574) 18.192 11.054 ( -4.342 26.081 2.212) 26.532 11.133 ( -3.616 21.513 -4.949) 22.369 11.904 ( -0.182 -7.539 11.455) 13.714 12.119 ( -5.514 -1.680 -8.549) 10.311 12.403 ( 1.082 4.666 -1.778) 5.109 12.472 ( -0.146 -0.954 -7.399) 7.461 14.061 ( -0.018 20.768 8.835) 22.569 14.180 ( -4.466 17.070 1.209) 17.686 14.328 ( 2.057 21.661 -3.120) 21.981 14.451 ( -2.310 22.642 -10.032) 24.873 15.927 ( 4.706 -3.641 15.345) 16.458 16.166 ( -2.467 -3.846 1.298) 4.750 16.319 ( 3.934 -7.080 -5.895) 10.018 16.441 ( -0.636 -6.232 -8.069) 10.216 18.806 ( 0.806 -8.579 4.650) 9.792 18.853 ( 0.513 -10.003 0.658) 10.037 18.994 ( 0.470 -11.068 4.169) 11.837 19.073 ( -0.722 -10.923 -2.417) 11.211 33.755 ( 1.467 0.403 3.677) 3.979 33.838 ( -0.220 -0.472 -4.431) 4.462 34.299 ( -0.780 13.940 3.112) 14.304 34.315 ( -0.762 12.803 1.824) 12.955 35.029 ( 1.507 14.887 1.868) 15.079 35.127 ( -0.742 13.327 -7.509) 15.315 36.772 ( 0.046 -4.138 1.487) 4.398 36.787 ( -0.291 -4.401 -0.019) 4.411 73.176 ( -0.059 -5.089 1.986) 5.463 73.199 ( -0.536 -5.951 -0.102) 5.976 77.193 ( 2.578 -47.924 20.615) 52.233 77.473 ( -3.709 -55.053 -6.359) 55.543 ======================= Grid point 442 (147/162) ======================= q-point: ( 0.40 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( -0.927 11.108 5.675) 12.509 3.533 ( -6.134 9.927 0.492) 11.680 4.438 ( 1.969 11.107 4.533) 12.157 4.469 ( -0.925 10.485 1.174) 10.590 5.342 ( 3.322 17.377 8.230) 19.512 5.384 ( -0.494 19.613 5.093) 20.269 5.535 ( 3.483 31.443 -1.871) 31.691 5.603 ( -2.454 29.261 -7.032) 30.194 6.847 ( 10.439 7.385 6.291) 14.251 6.922 ( 5.873 6.850 -0.798) 9.058 7.423 ( -5.128 -9.115 3.076) 10.901 7.491 ( -9.213 -9.969 -3.299) 13.969 9.276 ( 7.857 4.551 4.369) 10.076 9.367 ( 2.457 -2.203 -3.469) 4.788 9.522 ( -9.110 15.649 1.407) 18.162 9.541 ( -7.820 8.503 0.071) 11.552 10.626 ( 11.374 14.369 1.304) 18.372 10.695 ( 8.699 13.724 -4.006) 16.735 10.939 ( -4.811 23.735 -0.358) 24.220 11.013 ( -7.818 21.254 -6.225) 23.486 11.924 ( 2.381 -8.288 6.220) 10.632 12.003 ( -5.210 -6.987 -1.035) 8.777 12.428 ( 1.368 5.323 -5.182) 7.554 12.457 ( -1.268 2.746 -7.429) 8.021 14.066 ( 0.766 18.537 7.048) 19.846 14.102 ( -2.884 16.868 4.678) 17.741 14.363 ( 1.624 23.557 -6.043) 24.374 14.401 ( -2.214 23.608 -8.215) 25.095 16.034 ( 5.093 -3.420 11.770) 13.273 16.116 ( -2.903 -3.161 7.380) 8.537 16.384 ( 2.384 -7.324 -8.257) 11.292 16.421 ( -1.363 -6.592 -8.056) 10.498 18.830 ( 1.349 -9.040 4.759) 10.305 18.852 ( -0.663 -9.465 3.283) 10.040 19.015 ( 1.561 -11.460 0.618) 11.582 19.049 ( -1.560 -11.409 -1.794) 11.654 33.792 ( 1.931 0.387 1.457) 2.450 33.825 ( -1.146 0.041 -1.749) 2.091 34.288 ( -0.106 13.040 2.635) 13.304 34.296 ( -0.847 12.685 1.887) 12.852 35.067 ( 1.995 14.576 -1.134) 14.756 35.104 ( -1.535 13.969 -4.682) 14.812 36.774 ( 0.205 -4.159 0.999) 4.282 36.780 ( -0.357 -4.260 0.418) 4.295 73.177 ( 0.230 -5.228 1.557) 5.460 73.186 ( -0.599 -5.560 0.747) 5.642 77.269 ( 4.717 -49.680 12.273) 51.391 77.376 ( -5.413 -52.393 1.992) 52.709 ======================= Grid point 445 (148/162) ======================= q-point: ( 0.00 0.24 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( 0.000 14.946 7.024) 16.514 3.980 ( 0.000 8.756 -1.487) 8.881 4.454 ( 0.000 2.559 4.822) 5.459 4.495 ( 0.000 -0.179 0.510) 0.541 5.292 ( 0.000 -1.625 9.311) 9.452 5.484 ( 0.000 -2.406 -8.604) 8.934 6.213 ( 0.000 38.452 4.366) 38.699 6.313 ( 0.000 37.000 -5.989) 37.482 6.789 ( 0.000 9.900 14.948) 17.929 7.051 ( 0.000 23.065 -9.568) 24.970 7.496 ( 0.000 -12.595 -0.394) 12.601 7.523 ( 0.000 -2.976 -2.306) 3.765 9.196 ( 0.000 4.798 5.799) 7.527 9.296 ( 0.000 0.902 -2.304) 2.474 10.036 ( 0.000 -2.154 2.617) 3.390 10.128 ( 0.000 0.002 -2.459) 2.459 10.385 ( 0.000 18.661 -1.267) 18.704 10.425 ( 0.000 13.543 -7.626) 15.542 11.635 ( 0.000 21.276 0.690) 21.288 11.662 ( 0.000 16.070 -0.837) 16.092 11.804 ( 0.000 8.504 17.080) 19.080 12.192 ( 0.000 1.697 -18.909) 18.985 12.456 ( 0.000 4.069 0.990) 4.187 12.517 ( 0.000 5.526 -4.840) 7.345 14.442 ( 0.000 15.777 8.128) 17.748 14.551 ( 0.000 10.914 14.510) 18.156 14.631 ( 0.000 15.811 -10.157) 18.792 14.859 ( 0.000 15.922 -14.689) 21.663 15.845 ( 0.000 1.175 13.762) 13.812 16.134 ( 0.000 -2.778 -14.318) 14.585 16.173 ( 0.000 -1.306 11.763) 11.836 16.371 ( 0.000 -1.743 -6.909) 7.126 18.633 ( 0.000 -8.270 1.500) 8.405 18.635 ( 0.000 -10.610 0.912) 10.649 18.773 ( 0.000 -10.959 6.279) 12.631 18.872 ( 0.000 -10.274 -2.877) 10.669 33.759 ( 0.000 1.769 3.284) 3.730 33.839 ( 0.000 0.768 -4.543) 4.607 34.551 ( 0.000 9.708 3.935) 10.475 34.569 ( 0.000 11.066 1.950) 11.237 35.321 ( 0.000 15.985 1.382) 16.045 35.401 ( 0.000 13.697 -6.415) 15.125 36.698 ( 0.000 -3.033 1.607) 3.432 36.714 ( 0.000 -3.019 0.077) 3.020 73.093 ( 0.000 -3.123 1.779) 3.594 73.103 ( 0.000 -3.831 0.920) 3.940 76.229 ( 0.000 -46.310 16.845) 49.278 76.426 ( 0.000 -52.511 -1.936) 52.547 ======================= Grid point 446 (149/162) ======================= q-point: ( 0.20 0.24 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( -5.528 14.174 6.168) 16.417 3.891 ( -7.142 10.499 -1.350) 12.769 4.490 ( 2.913 2.254 4.996) 6.207 4.537 ( 2.453 0.628 -0.223) 2.542 5.364 ( 6.528 -1.123 10.007) 12.001 5.540 ( 4.265 -0.779 -6.027) 7.424 6.219 ( 0.473 37.589 2.988) 37.711 6.304 ( -0.938 36.578 -6.086) 37.093 6.830 ( 4.369 6.963 14.430) 16.607 7.092 ( 3.953 20.959 -9.713) 23.436 7.412 ( -7.484 -10.240 1.388) 12.759 7.484 ( -4.173 -2.602 -4.566) 6.711 9.236 ( 3.778 4.539 4.653) 7.519 9.311 ( 1.493 0.870 -1.335) 2.183 9.845 ( -11.195 2.639 4.853) 12.483 9.961 ( -12.101 4.530 -5.403) 14.005 10.591 ( 16.061 13.405 0.384) 20.924 10.658 ( 14.996 11.019 -6.541) 19.725 11.568 ( -5.974 15.460 2.975) 16.839 11.631 ( -4.407 24.849 -3.369) 25.461 11.801 ( 0.676 5.424 13.164) 14.253 12.081 ( -8.625 1.420 -12.145) 14.964 12.496 ( 2.516 3.870 -3.132) 5.579 12.524 ( 0.612 5.534 -4.985) 7.473 14.422 ( -1.763 14.999 7.255) 16.754 14.467 ( -4.889 11.959 7.900) 15.144 14.702 ( 3.921 15.567 -4.389) 16.642 14.844 ( -1.350 16.404 -12.580) 20.717 15.894 ( 4.384 0.749 13.079) 13.815 16.118 ( -1.062 -0.728 1.641) 2.086 16.213 ( 2.937 -3.133 -3.305) 5.419 16.363 ( -0.875 -1.873 -7.140) 7.433 18.631 ( 0.462 -9.271 2.674) 9.660 18.656 ( 1.172 -9.390 0.832) 9.500 18.771 ( 0.039 -11.195 4.964) 12.246 18.859 ( -1.252 -10.535 -2.710) 10.950 33.776 ( 1.517 1.813 2.652) 3.553 33.842 ( 0.182 0.995 -3.838) 3.969 34.535 ( -1.276 9.566 3.800) 10.372 34.554 ( -1.410 10.461 1.933) 10.731 35.337 ( 1.412 15.988 0.626) 16.062 35.401 ( -0.087 14.147 -5.612) 15.220 36.699 ( 0.047 -3.040 1.455) 3.371 36.711 ( -0.228 -3.027 0.210) 3.043 73.092 ( -0.095 -3.127 1.778) 3.598 73.100 ( -0.255 -3.695 1.058) 3.852 76.245 ( 1.561 -46.769 15.015) 49.145 76.405 ( -2.007 -51.780 -0.172) 51.820 ======================= Grid point 447 (150/162) ======================= q-point: ( 0.40 0.24 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( -1.726 13.813 3.612) 14.382 3.758 ( -4.608 12.724 0.646) 13.548 4.543 ( 1.892 1.922 2.972) 4.013 4.563 ( 0.026 1.301 0.722) 1.488 5.515 ( 6.871 0.811 8.539) 10.990 5.594 ( -0.238 1.569 1.627) 2.272 6.235 ( 1.323 36.017 -0.777) 36.050 6.273 ( -2.017 35.761 -4.839) 36.143 6.979 ( 10.069 0.648 10.901) 14.854 7.195 ( -1.185 16.836 2.107) 17.009 7.223 ( -3.287 -9.755 -6.491) 12.170 7.361 ( -7.358 3.323 -7.949) 11.330 9.326 ( 3.904 2.891 1.686) 5.142 9.348 ( 1.496 1.123 0.194) 1.880 9.679 ( -3.579 5.031 4.322) 7.536 9.739 ( -8.474 6.373 -1.206) 10.672 10.899 ( 12.037 12.287 0.615) 17.212 10.941 ( 9.802 11.218 -2.831) 15.164 11.422 ( -5.467 16.842 -1.531) 17.773 11.485 ( -8.833 22.182 -6.396) 24.718 11.837 ( 2.693 4.756 6.572) 8.548 11.920 ( -5.973 2.493 -1.281) 6.598 12.531 ( 0.825 4.237 -5.232) 6.783 12.535 ( 0.281 5.182 -5.550) 7.598 14.387 ( -1.106 13.605 6.406) 15.079 14.394 ( -1.990 12.565 6.790) 14.420 14.767 ( 2.529 16.541 -5.718) 17.683 14.810 ( -1.834 16.890 -8.736) 19.103 15.997 ( 5.086 0.152 11.680) 12.740 16.081 ( -2.883 -0.028 9.271) 9.709 16.277 ( 3.124 -3.163 -8.562) 9.648 16.332 ( -2.142 -2.364 -8.062) 8.670 18.649 ( 1.150 -9.179 3.750) 9.982 18.667 ( -0.304 -9.087 2.989) 9.571 18.785 ( 1.465 -11.491 0.819) 11.613 18.824 ( -2.039 -11.097 -1.896) 11.441 33.812 ( 1.781 1.804 0.790) 2.655 33.838 ( -0.681 1.487 -1.797) 2.430 34.514 ( -0.446 9.276 3.151) 9.807 34.523 ( -1.230 9.539 2.271) 9.882 35.369 ( 1.539 15.764 -1.281) 15.891 35.393 ( -0.753 15.068 -3.624) 15.516 36.701 ( 0.174 -3.050 1.057) 3.233 36.706 ( -0.286 -3.044 0.577) 3.112 73.091 ( 0.047 -3.197 1.673) 3.609 73.095 ( -0.264 -3.413 1.383) 3.692 76.290 ( 2.746 -48.100 10.267) 49.260 76.351 ( -3.021 -50.011 4.471) 50.301 ======================= Grid point 450 (151/162) ======================= q-point: ( 0.00 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( 0.000 6.125 4.254) 7.457 4.178 ( 0.000 13.318 -0.160) 13.319 4.502 ( 0.000 2.344 2.327) 3.303 4.530 ( 0.000 5.968 0.425) 5.983 5.195 ( 0.000 -7.050 6.185) 9.378 5.346 ( 0.000 -10.041 -7.886) 12.768 6.792 ( 0.000 -7.552 20.554) 21.898 6.895 ( 0.000 24.635 6.419) 25.458 7.021 ( 0.000 31.687 -6.464) 32.339 7.171 ( 0.000 -7.131 -14.054) 15.759 7.567 ( 0.000 20.145 -2.780) 20.336 7.625 ( 0.000 12.078 -6.177) 13.566 9.313 ( 0.000 7.024 3.995) 8.081 9.346 ( 0.000 4.161 2.248) 4.729 9.997 ( 0.000 -1.581 0.715) 1.735 10.096 ( 0.000 -2.287 -6.404) 6.800 10.687 ( 0.000 12.146 -3.187) 12.557 10.698 ( 0.000 13.142 -2.567) 13.391 11.592 ( 0.000 -6.191 13.447) 14.804 11.793 ( 0.000 -3.176 -5.719) 6.542 12.285 ( 0.000 18.278 6.223) 19.309 12.424 ( 0.000 16.326 -7.313) 17.889 12.596 ( 0.000 14.466 -0.597) 14.479 12.673 ( 0.000 12.656 -7.895) 14.917 14.634 ( 0.000 4.184 10.004) 10.844 14.762 ( 0.000 10.451 15.802) 18.945 14.863 ( 0.000 7.390 -12.097) 14.176 15.100 ( 0.000 8.631 -16.479) 18.603 15.911 ( 0.000 4.835 10.613) 11.663 16.123 ( 0.000 1.419 -9.766) 9.868 16.190 ( 0.000 2.909 11.526) 11.887 16.373 ( 0.000 1.815 -5.580) 5.868 18.434 ( 0.000 -9.558 2.271) 9.824 18.474 ( 0.000 -7.780 -1.080) 7.855 18.563 ( 0.000 -10.109 6.765) 12.163 18.676 ( 0.000 -9.592 -3.719) 10.287 33.810 ( 0.000 3.435 2.489) 4.242 33.871 ( 0.000 2.504 -3.448) 4.261 34.689 ( 0.000 4.093 4.334) 5.961 34.726 ( 0.000 4.532 0.770) 4.597 35.634 ( 0.000 15.441 0.037) 15.442 35.670 ( 0.000 13.342 -3.594) 13.818 36.657 ( 0.000 -1.176 1.894) 2.229 36.677 ( 0.000 -0.752 -0.092) 0.757 73.061 ( 0.000 -0.298 1.929) 1.952 73.062 ( 0.000 0.060 1.808) 1.809 75.369 ( 0.000 -40.089 11.633) 41.743 75.470 ( 0.000 -43.755 2.146) 43.808 ======================= Grid point 451 (152/162) ======================= q-point: ( 0.20 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.070 ( -4.204 10.536 4.176) 12.088 4.122 ( -4.736 13.186 -0.980) 14.045 4.531 ( 2.099 2.179 2.326) 3.816 4.555 ( 1.455 2.597 -0.090) 2.978 5.271 ( 7.094 -7.040 7.673) 12.600 5.424 ( 6.257 -9.033 -6.349) 12.690 6.739 ( -3.754 -4.218 15.754) 16.735 6.903 ( -2.228 8.882 4.675) 10.281 6.985 ( -0.773 31.021 -3.719) 31.253 7.155 ( -1.711 2.985 -11.458) 11.963 7.575 ( 0.720 20.226 -3.695) 20.573 7.622 ( -0.334 13.407 -6.283) 14.810 9.347 ( 2.999 6.520 3.151) 7.838 9.365 ( 2.015 4.674 2.535) 5.686 9.876 ( -8.440 0.971 3.510) 9.192 9.997 ( -8.465 0.122 -7.209) 11.119 10.840 ( 13.023 11.110 -1.313) 17.169 10.859 ( 12.826 9.111 -3.999) 16.233 11.557 ( -3.464 -5.360 12.029) 13.617 11.758 ( -3.915 -3.969 -6.759) 8.761 12.261 ( -2.049 20.778 5.491) 21.588 12.355 ( -5.628 22.038 -3.653) 23.037 12.606 ( 0.746 8.730 -2.557) 9.127 12.664 ( -0.814 10.718 -8.022) 13.412 14.611 ( -1.785 5.251 9.694) 11.168 14.692 ( -4.445 10.066 8.232) 13.742 14.929 ( 4.096 7.327 -5.879) 10.248 15.087 ( -1.254 8.317 -14.217) 16.519 15.952 ( 3.739 4.579 10.458) 12.013 16.140 ( 0.774 2.747 -1.573) 3.259 16.201 ( 1.470 1.720 3.436) 4.114 16.363 ( -1.097 1.727 -5.746) 6.100 18.443 ( 0.905 -9.309 2.810) 9.766 18.488 ( 1.052 -7.922 -0.327) 7.998 18.558 ( -0.296 -10.241 5.237) 11.506 18.659 ( -1.535 -9.638 -3.538) 10.381 33.828 ( 1.627 3.543 2.022) 4.392 33.879 ( 0.634 2.790 -2.933) 4.097 34.669 ( -1.709 3.769 3.972) 5.736 34.700 ( -2.269 4.086 0.954) 4.770 35.651 ( 1.422 15.506 -0.275) 15.574 35.679 ( 0.761 13.844 -3.175) 14.224 36.656 ( -0.006 -1.249 1.712) 2.119 36.673 ( -0.360 -0.898 0.091) 0.972 73.060 ( -0.093 -0.106 1.969) 1.974 73.061 ( -0.073 -0.046 1.834) 1.836 75.378 ( 0.831 -40.390 10.699) 41.792 75.459 ( -0.986 -43.356 3.023) 43.472 ======================= Grid point 452 (153/162) ======================= q-point: ( 0.40 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( -1.106 14.229 2.444) 14.480 4.032 ( -3.218 14.831 0.212) 15.178 4.563 ( 0.967 0.621 1.024) 1.540 4.572 ( 0.164 0.344 0.071) 0.388 5.440 ( 7.730 -6.817 7.107) 12.520 5.518 ( 1.022 -7.378 0.203) 7.451 6.696 ( 0.789 -4.727 7.370) 8.792 6.784 ( -6.832 -1.485 0.016) 6.991 7.029 ( 3.488 24.189 -0.110) 24.440 7.102 ( -3.310 15.641 -5.571) 16.931 7.593 ( 0.964 19.192 -5.391) 19.958 7.611 ( -0.740 16.440 -6.292) 17.618 9.406 ( 2.581 5.086 2.994) 6.442 9.422 ( 1.932 6.016 1.287) 6.449 9.750 ( -2.065 2.567 3.291) 4.657 9.819 ( -7.568 2.501 -3.163) 8.575 11.094 ( 10.644 7.482 1.174) 13.063 11.140 ( 9.980 8.655 -2.297) 13.409 11.477 ( -1.660 -4.081 4.233) 6.110 11.611 ( -10.224 -3.303 -7.339) 13.012 12.226 ( -0.683 24.130 4.126) 24.490 12.252 ( -3.440 24.990 1.636) 25.279 12.622 ( 0.916 5.313 -5.147) 7.454 12.643 ( -1.095 6.853 -7.204) 10.003 14.587 ( -0.105 7.464 8.482) 11.299 14.615 ( -2.803 9.153 7.129) 11.936 15.001 ( 2.945 7.165 -6.840) 10.334 15.052 ( -2.091 7.611 -10.121) 12.835 16.043 ( 4.615 4.144 10.181) 11.922 16.121 ( -2.638 3.866 9.069) 10.205 16.259 ( 3.599 1.039 -6.499) 7.502 16.325 ( -2.633 1.441 -6.392) 7.061 18.469 ( 1.484 -8.951 3.901) 9.876 18.495 ( -0.738 -8.418 3.677) 9.215 18.570 ( 1.781 -10.098 -0.588) 10.270 18.617 ( -2.444 -9.765 -2.897) 10.475 33.866 ( 1.698 3.671 0.604) 4.089 33.886 ( -0.199 3.386 -1.397) 3.668 34.639 ( -0.648 3.228 2.936) 4.411 34.653 ( -1.849 3.330 1.681) 4.164 35.680 ( 1.158 15.429 -1.102) 15.511 35.691 ( 0.133 14.815 -2.191) 14.976 36.658 ( 0.185 -1.326 1.217) 1.810 36.664 ( -0.415 -1.187 0.589) 1.389 73.058 ( -0.018 -0.006 1.991) 1.991 73.059 ( -0.085 -0.006 1.918) 1.920 75.402 ( 1.424 -41.228 8.281) 42.075 75.433 ( -1.519 -42.360 5.349) 42.723 ======================= Grid point 455 (154/162) ======================= q-point: ( 0.00 0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.227 ( 0.000 4.237 5.423) 6.882 4.345 ( 0.000 3.820 -6.198) 7.281 4.660 ( 0.000 13.216 3.653) 13.712 4.686 ( 0.000 8.494 1.226) 8.582 5.049 ( 0.000 -6.553 1.360) 6.692 5.125 ( 0.000 -11.608 -5.835) 12.992 6.545 ( 0.000 -15.016 16.485) 22.299 6.756 ( 0.000 -17.897 -2.319) 18.047 7.534 ( 0.000 23.969 -1.982) 24.051 7.587 ( 0.000 24.721 -6.411) 25.539 7.888 ( 0.000 12.731 -3.426) 13.184 7.928 ( 0.000 15.350 -8.022) 17.320 9.448 ( 0.000 5.688 6.036) 8.294 9.460 ( 0.000 7.385 3.559) 8.198 9.978 ( 0.000 -0.382 -2.560) 2.588 10.050 ( 0.000 -2.184 -8.078) 8.368 10.890 ( 0.000 8.185 -0.791) 8.223 10.910 ( 0.000 8.434 -1.912) 8.648 11.490 ( 0.000 -4.034 10.815) 11.542 11.676 ( 0.000 -6.965 -6.860) 9.775 12.463 ( 0.000 5.480 9.612) 11.064 12.629 ( 0.000 6.800 -6.194) 9.198 13.014 ( 0.000 22.049 -1.691) 22.114 13.039 ( 0.000 19.969 -4.038) 20.373 14.672 ( 0.000 0.660 11.120) 11.140 14.927 ( 0.000 -0.362 -13.582) 13.587 14.933 ( 0.000 6.706 11.844) 13.611 15.212 ( 0.000 2.977 -14.729) 15.026 16.010 ( 0.000 4.781 9.215) 10.382 16.168 ( 0.000 2.531 -5.778) 6.309 16.280 ( 0.000 5.906 10.254) 11.833 16.433 ( 0.000 3.858 -3.719) 5.359 18.262 ( 0.000 -7.751 3.007) 8.314 18.326 ( 0.000 -7.244 -2.638) 7.710 18.379 ( 0.000 -8.253 6.292) 10.378 18.494 ( 0.000 -8.717 -4.307) 9.723 33.893 ( 0.000 4.794 1.828) 5.130 33.936 ( 0.000 3.930 -2.370) 4.590 34.716 ( 0.000 -1.078 3.657) 3.812 34.752 ( 0.000 -1.507 0.196) 1.520 35.922 ( 0.000 13.424 -0.809) 13.448 35.923 ( 0.000 12.046 -1.047) 12.092 36.646 ( 0.000 -0.106 2.346) 2.349 36.676 ( 0.000 0.326 -0.553) 0.642 73.094 ( 0.000 3.682 2.653) 4.539 73.099 ( 0.000 3.814 2.113) 4.360 74.656 ( 0.000 -31.931 8.163) 32.958 74.703 ( 0.000 -33.811 3.765) 34.020 ======================= Grid point 456 (155/162) ======================= q-point: ( 0.20 0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.239 ( 1.221 6.975 4.878) 8.599 4.344 ( -0.268 7.704 -5.323) 9.368 4.610 ( -3.028 6.432 3.062) 7.741 4.661 ( -2.757 7.797 -1.223) 8.360 5.123 ( 7.338 -7.073 4.920) 11.317 5.235 ( 8.057 -8.926 -5.238) 13.116 6.491 ( -4.483 -15.525 14.186) 21.503 6.678 ( -7.129 -17.877 -2.533) 19.412 7.537 ( 0.528 24.370 -1.537) 24.424 7.593 ( 0.165 24.135 -6.611) 25.025 7.894 ( 0.635 12.846 -3.428) 13.310 7.930 ( 0.078 14.940 -7.520) 16.726 9.467 ( 1.960 5.931 5.908) 8.598 9.496 ( 3.117 7.150 2.476) 8.184 9.894 ( -6.410 0.951 0.247) 6.485 9.987 ( -5.791 -0.862 -8.177) 10.057 11.008 ( 8.984 6.046 -1.149) 10.889 11.020 ( 10.737 6.741 -1.762) 12.800 11.467 ( -2.366 -3.457 9.996) 10.838 11.644 ( -3.381 -6.423 -6.584) 9.800 12.488 ( 2.509 7.136 9.220) 11.926 12.655 ( 2.615 8.080 -6.801) 10.880 12.919 ( -7.923 20.319 0.879) 21.827 12.995 ( -4.732 18.917 -6.288) 20.489 14.674 ( 0.346 1.753 10.746) 10.893 14.844 ( -4.395 5.130 2.100) 7.074 15.003 ( 3.184 0.837 -3.928) 5.125 15.187 ( -2.288 2.271 -13.605) 13.982 16.051 ( 3.713 4.976 9.090) 11.008 16.203 ( 2.963 3.040 -4.683) 6.320 16.275 ( -0.556 5.428 9.010) 10.534 16.420 ( -1.308 3.711 -3.744) 5.431 18.273 ( 1.099 -7.693 3.257) 8.426 18.338 ( 1.014 -7.202 -1.597) 7.447 18.373 ( -0.486 -8.345 4.769) 9.624 18.479 ( -1.463 -8.613 -4.144) 9.670 33.914 ( 1.919 5.039 1.532) 5.606 33.950 ( 1.254 4.346 -2.020) 4.953 34.688 ( -2.382 -1.531 3.303) 4.350 34.718 ( -2.948 -1.880 0.390) 3.518 35.939 ( 1.557 13.077 -0.706) 13.188 35.943 ( 1.643 13.054 -1.070) 13.200 36.643 ( -0.242 -0.341 2.105) 2.146 36.668 ( -0.741 0.045 -0.293) 0.798 73.094 ( 0.016 3.720 2.619) 4.549 73.099 ( -0.074 3.822 2.179) 4.400 74.661 ( 0.395 -32.096 7.727) 33.015 74.699 ( -0.454 -33.617 4.167) 33.877 ======================= Grid point 457 (156/162) ======================= q-point: ( 0.40 0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.277 ( 2.405 12.314 2.832) 12.862 4.324 ( -1.797 13.963 -1.405) 14.148 4.573 ( -0.244 0.696 0.209) 0.766 4.600 ( -2.617 2.705 -1.965) 4.246 5.295 ( 7.665 -6.738 5.585) 11.634 5.360 ( 2.261 -7.369 -0.213) 7.711 6.423 ( -0.355 -16.994 6.914) 18.350 6.509 ( -7.897 -17.835 -0.665) 19.517 7.558 ( 1.364 24.266 -2.559) 24.438 7.584 ( -1.012 23.942 -5.097) 24.500 7.911 ( 0.916 13.296 -4.368) 14.026 7.926 ( -0.473 14.094 -6.123) 15.374 9.524 ( 3.247 6.375 4.720) 8.571 9.557 ( 1.386 7.047 1.326) 7.303 9.791 ( -1.759 1.596 1.116) 2.624 9.853 ( -6.300 1.036 -4.734) 7.948 11.202 ( 9.103 3.613 2.227) 10.044 11.267 ( 9.791 3.838 -3.105) 10.966 11.397 ( -2.807 -3.142 5.977) 7.313 11.527 ( -8.227 -4.390 -5.503) 10.827 12.573 ( 6.009 11.845 7.729) 15.367 12.725 ( -3.625 20.413 0.940) 20.754 12.746 ( -0.260 7.488 -4.386) 8.682 12.868 ( -6.939 14.992 -8.224) 18.453 14.697 ( 2.062 3.986 9.133) 10.176 14.758 ( -3.801 5.519 6.004) 8.998 15.064 ( 3.019 -0.203 -7.820) 8.385 15.129 ( -3.200 0.721 -11.082) 11.557 16.142 ( 4.634 5.374 8.866) 11.356 16.220 ( -2.511 5.696 7.767) 9.954 16.302 ( 3.803 2.868 -3.377) 5.839 16.376 ( -3.027 3.305 -3.964) 5.983 18.303 ( 1.672 -7.604 4.002) 8.754 18.336 ( -1.336 -7.485 4.604) 8.889 18.389 ( 2.144 -8.215 -2.728) 8.918 18.438 ( -2.374 -8.369 -3.707) 9.456 33.957 ( 1.794 5.484 0.557) 5.797 33.972 ( 0.409 5.231 -0.923) 5.328 34.645 ( -1.148 -2.438 2.315) 3.552 34.657 ( -2.309 -2.562 1.104) 3.622 35.970 ( 1.077 13.605 -0.718) 13.667 35.973 ( 0.857 13.669 -0.945) 13.728 36.641 ( 0.132 -0.694 1.396) 1.564 36.651 ( -0.774 -0.519 0.444) 1.032 73.095 ( 0.059 3.789 2.508) 4.544 73.097 ( -0.095 3.825 2.339) 4.484 74.672 ( 0.670 -32.543 6.599) 33.212 74.686 ( -0.707 -33.124 5.239) 33.543 ======================= Grid point 460 (157/162) ======================= q-point: ( 0.00 0.41 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.322 ( 0.000 5.713 2.970) 6.439 4.405 ( 0.000 3.298 -5.082) 6.058 4.749 ( 0.000 -4.149 3.553) 5.462 4.848 ( 0.000 -6.257 -5.960) 8.642 4.996 ( 0.000 9.446 2.146) 9.687 5.041 ( 0.000 7.291 -1.931) 7.542 6.246 ( 0.000 -14.296 12.741) 19.150 6.398 ( 0.000 -17.606 -1.420) 17.664 7.925 ( 0.000 15.364 -0.953) 15.394 7.986 ( 0.000 15.383 -6.094) 16.546 8.100 ( 0.000 8.481 -3.038) 9.009 8.166 ( 0.000 8.743 -9.328) 12.785 9.553 ( 0.000 4.593 8.184) 9.385 9.584 ( 0.000 4.719 4.551) 6.556 9.978 ( 0.000 0.289 -5.983) 5.990 10.013 ( 0.000 -1.498 -8.874) 9.000 11.011 ( 0.000 4.225 2.358) 4.839 11.033 ( 0.000 4.052 0.190) 4.056 11.433 ( 0.000 -1.745 5.053) 5.346 11.547 ( 0.000 -5.703 -5.390) 7.847 12.586 ( 0.000 7.033 10.376) 12.535 12.744 ( 0.000 4.597 -4.170) 6.206 13.369 ( 0.000 12.833 -1.520) 12.923 13.376 ( 0.000 13.929 -1.868) 14.054 14.687 ( 0.000 1.211 7.437) 7.535 14.876 ( 0.000 -4.099 -11.081) 11.814 15.035 ( 0.000 3.996 6.408) 7.551 15.227 ( 0.000 -1.222 -11.535) 11.600 16.095 ( 0.000 3.908 8.091) 8.985 16.206 ( 0.000 1.044 -2.311) 2.536 16.405 ( 0.000 6.222 8.431) 10.479 16.508 ( 0.000 3.308 -0.841) 3.413 18.133 ( 0.000 -5.086 2.573) 5.700 18.192 ( 0.000 -6.107 -2.792) 6.715 18.246 ( 0.000 -4.956 4.174) 6.479 18.336 ( 0.000 -7.038 -3.966) 8.079 33.993 ( 0.000 5.086 1.204) 5.227 34.019 ( 0.000 4.240 -1.351) 4.450 34.665 ( 0.000 -3.517 2.544) 4.341 34.688 ( 0.000 -4.294 0.302) 4.305 36.137 ( 0.000 9.334 0.538) 9.350 36.154 ( 0.000 9.756 -1.052) 9.812 36.644 ( 0.000 -0.282 2.415) 2.432 36.677 ( 0.000 -0.459 -0.816) 0.936 73.207 ( 0.000 7.782 3.252) 8.434 73.214 ( 0.000 7.822 2.592) 8.241 74.105 ( 0.000 -24.056 6.013) 24.796 74.126 ( 0.000 -24.883 4.034) 25.208 ======================= Grid point 461 (158/162) ======================= q-point: ( 0.20 0.41 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.364 ( 3.931 6.209 2.957) 7.922 4.447 ( 3.873 4.138 -5.105) 7.628 4.703 ( -4.040 0.438 2.726) 4.894 4.779 ( -5.017 -0.575 -4.574) 6.814 5.070 ( 6.637 5.074 3.891) 9.216 5.143 ( 7.772 1.670 -2.953) 8.480 6.180 ( -5.749 -15.118 11.140) 19.640 6.318 ( -7.287 -17.837 -1.718) 19.345 7.932 ( 0.694 15.472 -1.224) 15.536 7.988 ( -0.033 15.483 -6.466) 16.779 8.105 ( 0.556 8.202 -2.577) 8.615 8.162 ( -0.424 8.553 -8.442) 12.025 9.576 ( 2.235 4.745 7.466) 9.124 9.615 ( 2.892 4.538 3.281) 6.302 9.914 ( -5.218 1.053 -3.235) 6.229 9.968 ( -4.263 -0.958 -8.452) 9.514 11.095 ( 7.078 2.940 1.704) 7.852 11.113 ( 7.386 2.898 0.144) 7.935 11.420 ( -1.439 -1.388 4.780) 5.181 11.526 ( -2.220 -5.190 -4.800) 7.409 12.633 ( 4.715 7.827 9.481) 13.167 12.786 ( 4.175 5.296 -4.735) 8.240 13.260 ( -9.205 13.339 1.103) 16.245 13.311 ( -6.802 12.192 -3.842) 14.480 14.703 ( 1.736 1.685 7.366) 7.753 14.881 ( 0.072 -1.564 -8.674) 8.815 15.012 ( -1.624 1.352 4.158) 4.664 15.189 ( -3.467 -1.759 -11.237) 11.890 16.142 ( 4.199 4.200 7.890) 9.875 16.249 ( 3.834 1.396 -2.065) 4.574 16.392 ( -1.390 5.903 8.102) 10.120 16.492 ( -1.663 3.102 -0.867) 3.625 18.146 ( 1.196 -5.018 2.639) 5.795 18.206 ( 1.286 -6.064 -2.653) 6.742 18.238 ( -0.802 -4.998 3.774) 6.314 18.323 ( -1.234 -6.907 -3.819) 7.988 34.022 ( 2.583 5.572 1.086) 6.237 34.044 ( 2.239 4.887 -1.144) 5.496 34.626 ( -3.409 -4.181 2.307) 5.867 34.646 ( -3.728 -4.806 0.370) 6.094 36.164 ( 2.395 9.836 0.514) 10.137 36.181 ( 2.225 10.240 -0.979) 10.525 36.633 ( -0.899 -0.820 2.209) 2.522 36.662 ( -1.372 -0.877 -0.578) 1.728 73.208 ( 0.057 7.797 3.195) 8.426 73.213 ( -0.063 7.828 2.662) 8.269 74.106 ( 0.176 -24.132 5.816) 24.824 74.124 ( -0.209 -24.802 4.214) 25.158 ======================= Grid point 462 (159/162) ======================= q-point: ( 0.40 0.41 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.469 ( 5.928 6.909 2.681) 9.490 4.544 ( 4.431 6.780 -4.326) 9.182 4.602 ( -4.765 2.760 1.960) 5.845 4.669 ( -5.626 2.889 -4.263) 7.627 5.227 ( 7.089 1.387 4.546) 8.535 5.277 ( 3.226 0.364 -0.031) 3.247 6.075 ( -2.198 -17.675 5.550) 18.656 6.145 ( -7.986 -18.541 -0.729) 20.201 7.953 ( 1.255 15.545 -2.709) 15.829 7.978 ( -0.978 15.546 -5.201) 16.422 8.123 ( 1.202 8.014 -3.562) 8.852 8.147 ( -1.023 8.206 -6.158) 10.310 9.640 ( 3.800 5.089 5.051) 8.115 9.680 ( 1.924 5.002 1.185) 5.488 9.815 ( -2.659 0.869 -0.523) 2.846 9.863 ( -5.293 0.013 -5.172) 7.401 11.248 ( 7.123 1.321 2.449) 7.647 11.294 ( 9.004 -0.381 -1.445) 9.127 11.365 ( -4.149 -0.380 3.973) 5.758 11.448 ( -5.661 -3.489 -3.282) 7.415 12.778 ( 9.269 9.758 6.657) 15.015 12.901 ( 4.926 7.634 -4.880) 10.313 13.045 ( -8.889 11.756 3.574) 15.165 13.131 ( -9.751 10.055 -4.704) 14.776 14.761 ( 3.793 2.901 6.443) 8.020 14.844 ( -3.759 3.556 2.202) 5.624 15.018 ( 2.735 -3.849 -6.291) 7.866 15.101 ( -4.741 -3.105 -10.187) 11.658 16.244 ( 5.224 4.814 7.532) 10.353 16.327 ( -0.309 4.427 3.650) 5.746 16.358 ( 1.648 2.920 2.431) 4.141 16.438 ( -3.607 2.560 -1.020) 4.540 18.177 ( 1.742 -4.889 2.939) 5.964 18.211 ( -1.451 -4.805 3.418) 6.072 18.244 ( 2.061 -6.361 -3.027) 7.339 18.288 ( -2.075 -6.609 -3.463) 7.745 34.080 ( 2.359 6.795 0.574) 7.216 34.090 ( 1.450 6.569 -0.444) 6.742 34.558 ( -2.179 -5.882 1.625) 6.480 34.567 ( -2.982 -6.084 0.744) 6.816 36.214 ( 1.856 10.983 0.179) 11.140 36.222 ( 1.175 11.227 -0.557) 11.302 36.618 ( -0.272 -1.928 1.437) 2.420 36.630 ( -1.387 -1.849 0.226) 2.322 73.210 ( 0.096 7.824 3.041) 8.394 73.212 ( -0.099 7.835 2.837) 8.334 74.111 ( 0.302 -24.334 5.308) 24.908 74.118 ( -0.322 -24.590 4.695) 25.037 ======================= Grid point 465 (160/162) ======================= q-point: ( 0.00 0.47 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.459 ( 0.000 8.028 -0.130) 8.029 4.489 ( 0.000 5.189 -3.009) 5.998 4.622 ( 0.000 -6.817 -0.359) 6.827 4.651 ( 0.000 -10.045 -3.257) 10.560 5.211 ( 0.000 6.895 0.495) 6.913 5.215 ( 0.000 7.384 0.044) 7.384 6.031 ( 0.000 -5.397 8.176) 9.796 6.097 ( 0.000 -11.295 1.885) 11.451 8.139 ( 0.000 6.286 -0.525) 6.308 8.174 ( 0.000 3.100 -0.952) 3.243 8.232 ( 0.000 5.247 -8.579) 10.056 8.271 ( 0.000 1.719 -9.547) 9.701 9.622 ( 0.000 2.314 8.057) 8.383 9.639 ( 0.000 0.826 6.431) 6.484 9.984 ( 0.000 0.289 -8.157) 8.162 9.992 ( 0.000 -0.643 -9.001) 9.024 11.067 ( 0.000 1.630 4.280) 4.580 11.077 ( 0.000 0.656 3.050) 3.120 11.422 ( 0.000 0.623 -0.439) 0.762 11.459 ( 0.000 -3.147 -3.665) 4.830 12.721 ( 0.000 5.860 7.809) 9.764 12.789 ( 0.000 -0.534 1.854) 1.929 13.543 ( 0.000 4.804 -1.972) 5.193 13.554 ( 0.000 4.004 -2.544) 4.744 14.725 ( 0.000 2.662 1.883) 3.261 14.791 ( 0.000 -3.996 -4.810) 6.254 15.106 ( 0.000 3.529 -0.706) 3.599 15.177 ( 0.000 -3.422 -7.151) 7.928 16.164 ( 0.000 2.921 5.517) 6.242 16.205 ( 0.000 -1.142 1.638) 1.996 16.508 ( 0.000 3.816 6.086) 7.183 16.546 ( 0.000 0.124 2.778) 2.781 18.070 ( 0.000 -1.004 0.770) 1.265 18.095 ( 0.000 -3.348 -1.492) 3.665 18.191 ( 0.000 -0.520 0.861) 1.005 18.226 ( 0.000 -3.879 -2.202) 4.460 34.077 ( 0.000 2.811 0.506) 2.856 34.086 ( 0.000 1.914 -0.373) 1.949 34.604 ( 0.000 -1.904 1.506) 2.428 34.611 ( 0.000 -2.691 0.772) 2.800 36.277 ( 0.000 4.405 0.831) 4.483 36.290 ( 0.000 3.410 -0.323) 3.425 36.639 ( 0.000 0.147 1.396) 1.404 36.656 ( 0.000 -1.356 -0.280) 1.385 73.404 ( 0.000 12.149 3.883) 12.754 73.411 ( 0.000 12.218 3.161) 12.620 73.697 ( 0.000 -17.407 4.704) 18.031 73.708 ( 0.000 -17.709 3.692) 18.090 ======================= Grid point 466 (161/162) ======================= q-point: ( 0.20 0.47 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.497 ( 3.424 7.299 0.355) 8.071 4.536 ( 3.869 5.087 -3.374) 7.227 4.635 ( 1.081 -5.696 -0.127) 5.799 4.664 ( 0.795 -7.783 -2.940) 8.358 5.240 ( 3.391 7.572 1.345) 8.405 5.259 ( 4.514 6.047 -0.519) 7.564 5.944 ( -8.048 -6.459 7.333) 12.659 6.008 ( -8.285 -11.935 1.220) 14.579 8.148 ( 0.838 6.404 -1.052) 6.544 8.185 ( 0.948 3.251 -1.956) 3.911 8.225 ( -0.634 4.982 -7.245) 8.815 8.264 ( -0.633 1.635 -8.507) 8.686 9.648 ( 2.465 2.443 6.874) 7.701 9.667 ( 2.682 0.683 5.040) 5.750 9.933 ( -4.386 0.906 -5.887) 7.397 9.951 ( -3.891 -0.865 -7.693) 8.664 11.134 ( 5.869 1.176 3.491) 6.929 11.143 ( 5.856 0.342 2.468) 6.364 11.412 ( -1.126 0.596 -0.101) 1.278 11.446 ( -1.430 -2.861 -3.021) 4.400 12.778 ( 5.594 6.021 6.896) 10.728 12.843 ( 5.323 -0.132 1.131) 5.443 13.442 ( -9.240 5.192 -0.567) 10.614 13.464 ( -8.397 3.193 -2.515) 9.329 14.749 ( 2.361 2.922 1.619) 4.091 14.817 ( 2.555 -3.859 -5.203) 6.963 15.060 ( -4.256 3.254 -0.452) 5.376 15.132 ( -4.213 -3.676 -7.012) 8.969 16.214 ( 4.532 2.979 5.411) 7.661 16.254 ( 4.381 -0.916 1.727) 4.797 16.490 ( -1.865 3.640 5.854) 7.141 16.526 ( -1.952 0.060 2.644) 3.287 18.084 ( 1.309 -0.962 0.747) 1.788 18.109 ( 1.337 -3.333 -1.517) 3.898 18.182 ( -0.892 -0.567 0.828) 1.343 18.215 ( -1.025 -3.783 -2.108) 4.451 34.116 ( 3.729 3.292 0.549) 5.005 34.125 ( 3.665 2.485 -0.266) 4.436 34.551 ( -4.845 -2.476 1.367) 5.611 34.558 ( -4.899 -3.178 0.689) 5.880 36.315 ( 3.434 4.878 0.864) 6.028 36.328 ( 3.434 3.941 -0.317) 5.237 36.616 ( -2.201 -0.437 1.372) 2.630 36.632 ( -2.296 -1.776 -0.222) 2.911 73.405 ( 0.085 12.179 3.813) 12.762 73.411 ( -0.051 12.237 3.229) 12.656 73.698 ( 0.074 -17.457 4.607) 18.055 73.706 ( -0.121 -17.700 3.787) 18.101 ======================= Grid point 467 (162/162) ======================= q-point: ( 0.40 0.47 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.578 ( 3.899 4.725 0.459) 6.144 4.613 ( 2.745 2.193 -2.724) 4.445 4.642 ( -0.808 -0.226 -0.520) 0.987 4.663 ( -1.028 -3.037 -2.374) 3.990 5.360 ( 7.430 9.970 2.812) 12.748 5.391 ( 6.358 8.803 -0.084) 10.859 5.753 ( -7.806 -12.852 4.547) 15.710 5.799 ( -10.320 -15.147 0.327) 18.332 8.171 ( 1.310 6.552 -2.831) 7.256 8.195 ( -0.711 6.355 -5.234) 8.263 8.221 ( 0.887 1.738 -3.425) 3.942 8.245 ( -1.189 1.504 -5.931) 6.233 9.719 ( 4.308 2.765 3.494) 6.197 9.741 ( 4.172 0.893 1.371) 4.482 9.831 ( -4.988 1.000 -1.522) 5.310 9.853 ( -5.133 -0.983 -3.772) 6.445 11.266 ( 6.209 0.732 2.166) 6.616 11.281 ( 6.690 -0.760 0.894) 6.792 11.367 ( -3.491 0.575 0.860) 3.641 11.392 ( -3.992 -2.039 -1.296) 4.666 12.947 ( 10.628 6.466 4.503) 13.230 13.001 ( 9.752 1.456 -0.504) 9.873 13.206 ( -12.582 5.052 2.059) 13.714 13.245 ( -11.939 1.541 -1.606) 12.145 14.823 ( 4.845 3.603 0.849) 6.098 14.889 ( 3.237 -1.107 -5.121) 6.159 14.956 ( -4.244 0.354 -0.634) 4.306 15.022 ( -5.927 -4.366 -6.473) 9.803 16.325 ( 5.697 3.142 5.284) 8.381 16.361 ( 5.511 -0.388 1.968) 5.865 16.429 ( -4.085 3.219 5.454) 7.536 16.464 ( -4.140 -0.177 2.332) 4.755 18.119 ( 1.887 -0.841 0.730) 2.191 18.145 ( 1.966 -3.318 -1.573) 4.166 18.156 ( -1.587 -0.752 0.694) 1.888 18.185 ( -1.815 -3.567 -1.882) 4.423 34.213 ( 4.829 5.926 0.593) 7.668 34.219 ( 4.527 5.580 0.052) 7.186 34.434 ( -5.242 -5.550 1.031) 7.704 34.439 ( -5.491 -5.845 0.556) 8.039 36.396 ( 3.629 6.962 0.733) 7.885 36.406 ( 3.105 6.689 -0.172) 7.377 36.561 ( -2.340 -3.309 1.152) 4.214 36.572 ( -3.004 -3.730 0.093) 4.791 73.407 ( 0.121 12.236 3.632) 12.764 73.409 ( -0.100 12.260 3.408) 12.725 73.700 ( 0.144 -17.568 4.353) 18.099 73.703 ( -0.173 -17.659 4.039) 18.116 =================== 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 3/44880 10.0 2006.233 3759.387 3435.764 0.000 0.000 -0.000 3/44880 20.0 1926.549 1877.874 1819.437 0.000 0.000 -0.000 3/44880 30.0 878.962 1066.796 838.217 0.000 0.000 -0.000 3/44880 40.0 465.894 649.702 442.499 0.000 0.000 -0.000 3/44880 50.0 281.134 425.436 263.435 0.000 0.000 -0.000 3/44880 60.0 184.942 295.686 171.191 0.000 0.000 -0.000 3/44880 70.0 129.475 215.105 118.903 0.000 0.000 -0.000 3/44880 80.0 95.205 162.670 87.053 0.000 0.000 -0.000 3/44880 90.0 72.893 127.278 66.515 0.000 0.000 -0.000 3/44880 100.0 57.726 102.585 52.639 0.000 0.000 -0.000 3/44880 110.0 47.030 84.821 42.890 0.000 0.000 -0.000 3/44880 120.0 39.240 71.677 35.808 0.000 0.000 -0.000 3/44880 130.0 33.407 61.703 30.515 0.000 0.000 -0.000 3/44880 140.0 28.931 53.960 26.459 0.000 0.000 -0.000 3/44880 150.0 25.422 47.827 23.283 0.000 0.000 -0.000 3/44880 160.0 22.617 42.880 20.747 0.000 0.000 -0.000 3/44880 170.0 20.337 38.826 18.687 0.000 0.000 -0.000 3/44880 180.0 18.457 35.455 16.989 0.000 0.000 -0.000 3/44880 190.0 16.884 32.616 15.570 0.000 0.000 -0.000 3/44880 200.0 15.552 30.197 14.369 0.000 0.000 -0.000 3/44880 210.0 14.413 28.116 13.342 0.000 0.000 -0.000 3/44880 220.0 13.429 26.308 12.454 0.000 0.000 -0.000 3/44880 230.0 12.572 24.724 11.681 0.000 0.000 -0.000 3/44880 240.0 11.819 23.327 11.001 0.000 0.000 -0.000 3/44880 250.0 11.153 22.084 10.399 0.000 0.000 -0.000 3/44880 260.0 10.559 20.973 9.863 0.000 0.000 -0.000 3/44880 270.0 10.028 19.974 9.382 0.000 0.000 -0.000 3/44880 280.0 9.549 19.071 8.949 0.000 0.000 -0.000 3/44880 290.0 9.116 18.250 8.556 0.000 0.000 -0.000 3/44880 300.0 8.722 17.502 8.199 0.000 0.000 -0.000 3/44880 310.0 8.362 16.815 7.872 0.000 0.000 -0.000 3/44880 320.0 8.032 16.184 7.572 0.000 0.000 -0.000 3/44880 330.0 7.728 15.602 7.295 0.000 0.000 -0.000 3/44880 340.0 7.448 15.063 7.039 0.000 0.000 -0.000 3/44880 350.0 7.188 14.562 6.802 0.000 0.000 -0.000 3/44880 360.0 6.947 14.096 6.581 0.000 0.000 -0.000 3/44880 370.0 6.723 13.660 6.376 0.000 0.000 -0.000 3/44880 380.0 6.513 13.253 6.183 0.000 0.000 -0.000 3/44880 390.0 6.316 12.870 6.003 0.000 0.000 -0.000 3/44880 400.0 6.132 12.511 5.833 0.000 0.000 -0.000 3/44880 410.0 5.959 12.172 5.673 0.000 0.000 -0.000 3/44880 420.0 5.796 11.852 5.522 0.000 0.000 -0.000 3/44880 430.0 5.642 11.550 5.380 0.000 0.000 -0.000 3/44880 440.0 5.496 11.263 5.245 0.000 0.000 -0.000 3/44880 450.0 5.358 10.992 5.117 0.000 0.000 -0.000 3/44880 460.0 5.228 10.733 4.995 0.000 0.000 -0.000 3/44880 470.0 5.103 10.488 4.879 0.000 0.000 -0.000 3/44880 480.0 4.985 10.253 4.769 0.000 0.000 -0.000 3/44880 490.0 4.872 10.030 4.664 0.000 0.000 -0.000 3/44880 500.0 4.765 9.816 4.563 0.000 0.000 -0.000 3/44880 510.0 4.662 9.612 4.467 0.000 0.000 -0.000 3/44880 520.0 4.564 9.417 4.375 0.000 0.000 -0.000 3/44880 530.0 4.470 9.229 4.286 0.000 0.000 -0.000 3/44880 540.0 4.380 9.049 4.202 0.000 0.000 -0.000 3/44880 550.0 4.294 8.877 4.120 0.000 0.000 -0.000 3/44880 560.0 4.211 8.711 4.042 0.000 0.000 -0.000 3/44880 570.0 4.131 8.551 3.967 0.000 0.000 -0.000 3/44880 580.0 4.055 8.397 3.894 0.000 0.000 -0.000 3/44880 590.0 3.981 8.249 3.824 0.000 0.000 -0.000 3/44880 600.0 3.910 8.106 3.757 0.000 0.000 -0.000 3/44880 610.0 3.841 7.968 3.692 0.000 0.000 -0.000 3/44880 620.0 3.775 7.835 3.629 0.000 0.000 -0.000 3/44880 630.0 3.711 7.706 3.568 0.000 0.000 -0.000 3/44880 640.0 3.650 7.582 3.509 0.000 0.000 -0.000 3/44880 650.0 3.590 7.462 3.453 0.000 0.000 -0.000 3/44880 660.0 3.533 7.345 3.398 0.000 0.000 -0.000 3/44880 670.0 3.477 7.232 3.344 0.000 0.000 -0.000 3/44880 680.0 3.423 7.123 3.293 0.000 0.000 -0.000 3/44880 690.0 3.370 7.017 3.243 0.000 0.000 -0.000 3/44880 700.0 3.320 6.914 3.194 0.000 0.000 -0.000 3/44880 710.0 3.270 6.814 3.147 0.000 0.000 -0.000 3/44880 720.0 3.223 6.717 3.101 0.000 0.000 -0.000 3/44880 730.0 3.176 6.622 3.057 0.000 0.000 -0.000 3/44880 740.0 3.131 6.531 3.013 0.000 0.000 -0.000 3/44880 750.0 3.088 6.442 2.971 0.000 0.000 -0.000 3/44880 760.0 3.045 6.355 2.930 0.000 0.000 -0.000 3/44880 770.0 3.004 6.270 2.891 0.000 0.000 -0.000 3/44880 780.0 2.963 6.188 2.852 0.000 0.000 -0.000 3/44880 790.0 2.924 6.108 2.814 0.000 0.000 -0.000 3/44880 800.0 2.886 6.030 2.778 0.000 0.000 -0.000 3/44880 810.0 2.849 5.955 2.742 0.000 0.000 -0.000 3/44880 820.0 2.813 5.880 2.707 0.000 0.000 -0.000 3/44880 830.0 2.777 5.808 2.673 0.000 0.000 -0.000 3/44880 840.0 2.743 5.738 2.640 0.000 0.000 -0.000 3/44880 850.0 2.710 5.669 2.607 0.000 0.000 -0.000 3/44880 860.0 2.677 5.602 2.576 0.000 0.000 -0.000 3/44880 870.0 2.645 5.536 2.545 0.000 0.000 -0.000 3/44880 880.0 2.614 5.472 2.515 0.000 0.000 -0.000 3/44880 890.0 2.583 5.410 2.486 0.000 0.000 -0.000 3/44880 900.0 2.553 5.349 2.457 0.000 0.000 -0.000 3/44880 910.0 2.524 5.289 2.429 0.000 0.000 -0.000 3/44880 920.0 2.496 5.231 2.401 0.000 0.000 -0.000 3/44880 930.0 2.468 5.174 2.375 0.000 0.000 -0.000 3/44880 940.0 2.441 5.118 2.348 0.000 0.000 -0.000 3/44880 950.0 2.414 5.063 2.323 0.000 0.000 -0.000 3/44880 960.0 2.388 5.010 2.298 0.000 0.000 -0.000 3/44880 970.0 2.363 4.957 2.273 0.000 0.000 -0.000 3/44880 980.0 2.338 4.906 2.249 0.000 0.000 -0.000 3/44880 990.0 2.314 4.856 2.226 0.000 0.000 -0.000 3/44880 1000.0 2.290 4.807 2.203 0.000 0.000 -0.000 3/44880 Thermal conductivity related properties were written into "kappa-m51711.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:52:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|