----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:32:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.149874621404537 -2.783017800000000 0.000000000000000 b 3.149874621404537 2.783017800000000 0.000000000000000 c -2.763047420305173 0.000000000000000 4.841396409015623 Atomic positions (fractional): *1 P 0.58823846161082 0.81465512474658 0.33554180491300 30.974 2 P 0.18534487525342 0.41176153838918 0.16445819508700 30.974 3 P 0.81465512474658 0.58823846161082 0.83554180491300 30.974 4 P 0.41176153838918 0.18534487525342 0.66445819508700 30.974 *5 Ni 0.00000000000000 0.50000000000000 0.50000000000000 58.693 6 Ni 0.50000000000000 0.00000000000000 0.00000000000000 58.693 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.299749242809074 0.000000000000000 0.000000000000000 b 0.000000000000000 5.566035600000000 0.000000000000000 c -2.763047420305173 0.000000000000000 4.841396409015623 Atomic positions (fractional): *1 P 0.20144679317870 0.61320833156788 0.33554180491300 30.974 > 1 2 P 0.79855320682130 0.61320833156788 0.16445819508700 30.974 > 2 3 P 0.20144679317870 0.38679166843212 0.83554180491300 30.974 > 3 4 P 0.79855320682130 0.38679166843212 0.66445819508700 30.974 > 4 5 P 0.70144679317870 0.11320833156788 0.33554180491300 30.974 > 1 6 P 0.29855320682130 0.11320833156788 0.16445819508700 30.974 > 2 7 P 0.70144679317870 0.88679166843212 0.83554180491300 30.974 > 3 8 P 0.29855320682130 0.88679166843212 0.66445819508700 30.974 > 4 *9 Ni 0.75000000000000 0.75000000000000 0.50000000000000 58.693 > 5 10 Ni 0.25000000000000 0.75000000000000 0.00000000000000 58.693 > 6 11 Ni 0.25000000000000 0.25000000000000 0.50000000000000 58.693 > 5 12 Ni 0.75000000000000 0.25000000000000 0.00000000000000 58.693 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.599498485618147 0.000000000000000 0.000000000000000 b 0.000000000000000 16.698106800000001 0.000000000000000 c -5.526094840610346 0.000000000000000 9.682792818031245 Atomic positions (fractional): *1 P 0.10072339658935 0.20440277718929 0.16777090245650 30.974 > 1 2 P 0.60072339658935 0.20440277718929 0.16777090245650 30.974 > 1 3 P 0.10072339658935 0.53773611052263 0.16777090245650 30.974 > 1 4 P 0.60072339658935 0.53773611052263 0.16777090245650 30.974 > 1 5 P 0.10072339658935 0.87106944385596 0.16777090245650 30.974 > 1 6 P 0.60072339658935 0.87106944385596 0.16777090245650 30.974 > 1 7 P 0.10072339658935 0.20440277718929 0.66777090245650 30.974 > 1 8 P 0.60072339658935 0.20440277718929 0.66777090245650 30.974 > 1 9 P 0.10072339658935 0.53773611052263 0.66777090245650 30.974 > 1 10 P 0.60072339658935 0.53773611052263 0.66777090245650 30.974 > 1 11 P 0.10072339658935 0.87106944385596 0.66777090245650 30.974 > 1 12 P 0.60072339658935 0.87106944385596 0.66777090245650 30.974 > 1 13 P 0.39927660341065 0.20440277718929 0.08222909754350 30.974 > 2 14 P 0.89927660341065 0.20440277718929 0.08222909754350 30.974 > 2 15 P 0.39927660341065 0.53773611052263 0.08222909754350 30.974 > 2 16 P 0.89927660341065 0.53773611052263 0.08222909754350 30.974 > 2 17 P 0.39927660341065 0.87106944385596 0.08222909754350 30.974 > 2 18 P 0.89927660341065 0.87106944385596 0.08222909754350 30.974 > 2 19 P 0.39927660341065 0.20440277718929 0.58222909754350 30.974 > 2 20 P 0.89927660341065 0.20440277718929 0.58222909754350 30.974 > 2 21 P 0.39927660341065 0.53773611052263 0.58222909754350 30.974 > 2 22 P 0.89927660341065 0.53773611052263 0.58222909754350 30.974 > 2 23 P 0.39927660341065 0.87106944385596 0.58222909754350 30.974 > 2 24 P 0.89927660341065 0.87106944385596 0.58222909754350 30.974 > 2 25 P 0.10072339658935 0.12893055614404 0.41777090245650 30.974 > 3 26 P 0.60072339658935 0.12893055614404 0.41777090245650 30.974 > 3 27 P 0.10072339658935 0.46226388947737 0.41777090245650 30.974 > 3 28 P 0.60072339658935 0.46226388947737 0.41777090245650 30.974 > 3 29 P 0.10072339658935 0.79559722281071 0.41777090245650 30.974 > 3 30 P 0.60072339658935 0.79559722281071 0.41777090245650 30.974 > 3 31 P 0.10072339658935 0.12893055614404 0.91777090245650 30.974 > 3 32 P 0.60072339658935 0.12893055614404 0.91777090245650 30.974 > 3 33 P 0.10072339658935 0.46226388947737 0.91777090245650 30.974 > 3 34 P 0.60072339658935 0.46226388947737 0.91777090245650 30.974 > 3 35 P 0.10072339658935 0.79559722281071 0.91777090245650 30.974 > 3 36 P 0.60072339658935 0.79559722281071 0.91777090245650 30.974 > 3 37 P 0.39927660341065 0.12893055614404 0.33222909754350 30.974 > 4 38 P 0.89927660341065 0.12893055614404 0.33222909754350 30.974 > 4 39 P 0.39927660341065 0.46226388947737 0.33222909754350 30.974 > 4 40 P 0.89927660341065 0.46226388947737 0.33222909754350 30.974 > 4 41 P 0.39927660341065 0.79559722281071 0.33222909754350 30.974 > 4 42 P 0.89927660341065 0.79559722281071 0.33222909754350 30.974 > 4 43 P 0.39927660341065 0.12893055614404 0.83222909754350 30.974 > 4 44 P 0.89927660341065 0.12893055614404 0.83222909754350 30.974 > 4 45 P 0.39927660341065 0.46226388947737 0.83222909754350 30.974 > 4 46 P 0.89927660341065 0.46226388947737 0.83222909754350 30.974 > 4 47 P 0.39927660341065 0.79559722281071 0.83222909754350 30.974 > 4 48 P 0.89927660341065 0.79559722281071 0.83222909754350 30.974 > 4 49 P 0.35072339658935 0.03773611052263 0.16777090245650 30.974 > 1 50 P 0.85072339658935 0.03773611052263 0.16777090245650 30.974 > 1 51 P 0.35072339658935 0.37106944385596 0.16777090245650 30.974 > 1 52 P 0.85072339658935 0.37106944385596 0.16777090245650 30.974 > 1 53 P 0.35072339658935 0.70440277718929 0.16777090245650 30.974 > 1 54 P 0.85072339658935 0.70440277718929 0.16777090245650 30.974 > 1 55 P 0.35072339658935 0.03773611052263 0.66777090245650 30.974 > 1 56 P 0.85072339658935 0.03773611052263 0.66777090245650 30.974 > 1 57 P 0.35072339658935 0.37106944385596 0.66777090245650 30.974 > 1 58 P 0.85072339658935 0.37106944385596 0.66777090245650 30.974 > 1 59 P 0.35072339658935 0.70440277718929 0.66777090245650 30.974 > 1 60 P 0.85072339658935 0.70440277718929 0.66777090245650 30.974 > 1 61 P 0.14927660341065 0.03773611052263 0.08222909754350 30.974 > 2 62 P 0.64927660341065 0.03773611052263 0.08222909754350 30.974 > 2 63 P 0.14927660341065 0.37106944385596 0.08222909754350 30.974 > 2 64 P 0.64927660341065 0.37106944385596 0.08222909754350 30.974 > 2 65 P 0.14927660341065 0.70440277718929 0.08222909754350 30.974 > 2 66 P 0.64927660341065 0.70440277718929 0.08222909754350 30.974 > 2 67 P 0.14927660341065 0.03773611052263 0.58222909754350 30.974 > 2 68 P 0.64927660341065 0.03773611052263 0.58222909754350 30.974 > 2 69 P 0.14927660341065 0.37106944385596 0.58222909754350 30.974 > 2 70 P 0.64927660341065 0.37106944385596 0.58222909754350 30.974 > 2 71 P 0.14927660341065 0.70440277718929 0.58222909754350 30.974 > 2 72 P 0.64927660341065 0.70440277718929 0.58222909754350 30.974 > 2 73 P 0.35072339658935 0.29559722281071 0.41777090245650 30.974 > 3 74 P 0.85072339658935 0.29559722281071 0.41777090245650 30.974 > 3 75 P 0.35072339658935 0.62893055614404 0.41777090245650 30.974 > 3 76 P 0.85072339658935 0.62893055614404 0.41777090245650 30.974 > 3 77 P 0.35072339658935 0.96226388947737 0.41777090245650 30.974 > 3 78 P 0.85072339658935 0.96226388947737 0.41777090245650 30.974 > 3 79 P 0.35072339658935 0.29559722281071 0.91777090245650 30.974 > 3 80 P 0.85072339658935 0.29559722281071 0.91777090245650 30.974 > 3 81 P 0.35072339658935 0.62893055614404 0.91777090245650 30.974 > 3 82 P 0.85072339658935 0.62893055614404 0.91777090245650 30.974 > 3 83 P 0.35072339658935 0.96226388947737 0.91777090245650 30.974 > 3 84 P 0.85072339658935 0.96226388947737 0.91777090245650 30.974 > 3 85 P 0.14927660341065 0.29559722281071 0.33222909754350 30.974 > 4 86 P 0.64927660341065 0.29559722281071 0.33222909754350 30.974 > 4 87 P 0.14927660341065 0.62893055614404 0.33222909754350 30.974 > 4 88 P 0.64927660341065 0.62893055614404 0.33222909754350 30.974 > 4 89 P 0.14927660341065 0.96226388947737 0.33222909754350 30.974 > 4 90 P 0.64927660341065 0.96226388947737 0.33222909754350 30.974 > 4 91 P 0.14927660341065 0.29559722281071 0.83222909754350 30.974 > 4 92 P 0.64927660341065 0.29559722281071 0.83222909754350 30.974 > 4 93 P 0.14927660341065 0.62893055614404 0.83222909754350 30.974 > 4 94 P 0.64927660341065 0.62893055614404 0.83222909754350 30.974 > 4 95 P 0.14927660341065 0.96226388947737 0.83222909754350 30.974 > 4 96 P 0.64927660341065 0.96226388947737 0.83222909754350 30.974 > 4 *97 Ni 0.37500000000000 0.25000000000000 0.25000000000000 58.693 > 5 98 Ni 0.87500000000000 0.25000000000000 0.25000000000000 58.693 > 5 99 Ni 0.37500000000000 0.58333333333333 0.25000000000000 58.693 > 5 100 Ni 0.87500000000000 0.58333333333333 0.25000000000000 58.693 > 5 101 Ni 0.37500000000000 0.91666666666667 0.25000000000000 58.693 > 5 102 Ni 0.87500000000000 0.91666666666667 0.25000000000000 58.693 > 5 103 Ni 0.37500000000000 0.25000000000000 0.75000000000000 58.693 > 5 104 Ni 0.87500000000000 0.25000000000000 0.75000000000000 58.693 > 5 105 Ni 0.37500000000000 0.58333333333333 0.75000000000000 58.693 > 5 106 Ni 0.87500000000000 0.58333333333333 0.75000000000000 58.693 > 5 107 Ni 0.37500000000000 0.91666666666667 0.75000000000000 58.693 > 5 108 Ni 0.87500000000000 0.91666666666667 0.75000000000000 58.693 > 5 109 Ni 0.12500000000000 0.25000000000000 0.00000000000000 58.693 > 6 110 Ni 0.62500000000000 0.25000000000000 0.00000000000000 58.693 > 6 111 Ni 0.12500000000000 0.58333333333333 0.00000000000000 58.693 > 6 112 Ni 0.62500000000000 0.58333333333333 0.00000000000000 58.693 > 6 113 Ni 0.12500000000000 0.91666666666667 0.00000000000000 58.693 > 6 114 Ni 0.62500000000000 0.91666666666667 0.00000000000000 58.693 > 6 115 Ni 0.12500000000000 0.25000000000000 0.50000000000000 58.693 > 6 116 Ni 0.62500000000000 0.25000000000000 0.50000000000000 58.693 > 6 117 Ni 0.12500000000000 0.58333333333333 0.50000000000000 58.693 > 6 118 Ni 0.62500000000000 0.58333333333333 0.50000000000000 58.693 > 6 119 Ni 0.12500000000000 0.91666666666667 0.50000000000000 58.693 > 6 120 Ni 0.62500000000000 0.91666666666667 0.50000000000000 58.693 > 6 121 Ni 0.12500000000000 0.08333333333333 0.25000000000000 58.693 > 5 122 Ni 0.62500000000000 0.08333333333333 0.25000000000000 58.693 > 5 123 Ni 0.12500000000000 0.41666666666667 0.25000000000000 58.693 > 5 124 Ni 0.62500000000000 0.41666666666667 0.25000000000000 58.693 > 5 125 Ni 0.12500000000000 0.75000000000000 0.25000000000000 58.693 > 5 126 Ni 0.62500000000000 0.75000000000000 0.25000000000000 58.693 > 5 127 Ni 0.12500000000000 0.08333333333333 0.75000000000000 58.693 > 5 128 Ni 0.62500000000000 0.08333333333333 0.75000000000000 58.693 > 5 129 Ni 0.12500000000000 0.41666666666667 0.75000000000000 58.693 > 5 130 Ni 0.62500000000000 0.41666666666667 0.75000000000000 58.693 > 5 131 Ni 0.12500000000000 0.75000000000000 0.75000000000000 58.693 > 5 132 Ni 0.62500000000000 0.75000000000000 0.75000000000000 58.693 > 5 133 Ni 0.37500000000000 0.08333333333333 0.00000000000000 58.693 > 6 134 Ni 0.87500000000000 0.08333333333333 0.00000000000000 58.693 > 6 135 Ni 0.37500000000000 0.41666666666667 0.00000000000000 58.693 > 6 136 Ni 0.87500000000000 0.41666666666667 0.00000000000000 58.693 > 6 137 Ni 0.37500000000000 0.75000000000000 0.00000000000000 58.693 > 6 138 Ni 0.87500000000000 0.75000000000000 0.00000000000000 58.693 > 6 139 Ni 0.37500000000000 0.08333333333333 0.50000000000000 58.693 > 6 140 Ni 0.87500000000000 0.08333333333333 0.50000000000000 58.693 > 6 141 Ni 0.37500000000000 0.41666666666667 0.50000000000000 58.693 > 6 142 Ni 0.87500000000000 0.41666666666667 0.50000000000000 58.693 > 6 143 Ni 0.37500000000000 0.75000000000000 0.50000000000000 58.693 > 6 144 Ni 0.87500000000000 0.75000000000000 0.50000000000000 58.693 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 27.1016815 0.0000000 1.7901977 0.0000000 23.2487875 0.0000000 1.7901930 0.0000000 22.5723972 -------------------------- Born effective charges -------------------------- 1 P 0.7735370 -0.1052236 -0.5324208 -0.0745269 1.6166337 0.3597566 -0.6333488 0.4788988 1.2749927 2 P 0.7735370 0.1052236 -0.5324208 0.0745269 1.6166337 -0.3597566 -0.6333488 -0.4788988 1.2749927 3 P 0.7735370 0.1052236 -0.5324208 0.0745269 1.6166337 -0.3597566 -0.6333488 -0.4788988 1.2749927 4 P 0.7735370 -0.1052236 -0.5324208 -0.0745269 1.6166337 0.3597566 -0.6333488 0.4788988 1.2749927 5 Ni -1.5470739 0.0685244 1.0648415 -0.3466327 -3.2332674 -0.3762843 1.2666975 0.0501097 -2.5499854 6 Ni -1.5470739 -0.0685244 1.0648415 0.3466327 -3.2332674 0.3762843 1.2666975 -0.0501097 -2.5499854 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1062 Number of blocks in projector: 1062 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: 218 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 218 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 218 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 136 Use standard eigh solver. Tree of FC basis block matrices: - (1062, 1045), data: False |-- (136, 134), data: True |-- (136, 134), data: True |-- (136, 134), data: True |-- (218, 215), data: True |-- (218, 214), data: True |-- (218, 214), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.732 Solver_block: 200 / 240 - Time: 1.665 Solver_block: 240 / 240 - Time: 0.721 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.144 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 432/432 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1062 Number of blocks in projector: 1062 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: 218 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 218 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 218 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 136 Use standard eigh solver. Tree of FC basis block matrices: - (1062, 1045), data: False |-- (136, 134), data: True |-- (136, 134), data: True |-- (136, 134), data: True |-- (218, 215), data: True |-- (218, 214), data: True |-- (218, 214), 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 2026-01-07 18:33:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:33:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.149874621404537 -2.783017800000000 0.000000000000000 b 3.149874621404537 2.783017800000000 0.000000000000000 c -2.763047420305173 0.000000000000000 4.841396409015623 Atomic positions (fractional): 1 P 0.58823846161082 0.81465512474658 0.33554180491300 30.974 2 P 0.18534487525342 0.41176153838918 0.16445819508700 30.974 3 P 0.81465512474658 0.58823846161082 0.83554180491300 30.974 4 P 0.41176153838918 0.18534487525342 0.66445819508700 30.974 5 Ni 0.00000000000000 0.50000000000000 0.50000000000000 58.693 6 Ni 0.50000000000000 0.00000000000000 0.00000000000000 58.693 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.599498485618147 0.000000000000000 0.000000000000000 b 0.000000000000000 16.698106800000001 0.000000000000000 c -5.526094840610346 0.000000000000000 9.682792818031245 Atomic positions (fractional): 1 P 0.10072339658935 0.20440277718929 0.16777090245650 30.974 > 1 2 P 0.60072339658935 0.20440277718929 0.16777090245650 30.974 > 1 3 P 0.10072339658935 0.53773611052263 0.16777090245650 30.974 > 1 4 P 0.60072339658935 0.53773611052263 0.16777090245650 30.974 > 1 5 P 0.10072339658935 0.87106944385596 0.16777090245650 30.974 > 1 6 P 0.60072339658935 0.87106944385596 0.16777090245650 30.974 > 1 7 P 0.10072339658935 0.20440277718929 0.66777090245650 30.974 > 1 8 P 0.60072339658935 0.20440277718929 0.66777090245650 30.974 > 1 9 P 0.10072339658935 0.53773611052263 0.66777090245650 30.974 > 1 10 P 0.60072339658935 0.53773611052263 0.66777090245650 30.974 > 1 11 P 0.10072339658935 0.87106944385596 0.66777090245650 30.974 > 1 12 P 0.60072339658935 0.87106944385596 0.66777090245650 30.974 > 1 13 P 0.39927660341065 0.20440277718929 0.08222909754350 30.974 > 13 14 P 0.89927660341065 0.20440277718929 0.08222909754350 30.974 > 13 15 P 0.39927660341065 0.53773611052263 0.08222909754350 30.974 > 13 16 P 0.89927660341065 0.53773611052263 0.08222909754350 30.974 > 13 17 P 0.39927660341065 0.87106944385596 0.08222909754350 30.974 > 13 18 P 0.89927660341065 0.87106944385596 0.08222909754350 30.974 > 13 19 P 0.39927660341065 0.20440277718929 0.58222909754350 30.974 > 13 20 P 0.89927660341065 0.20440277718929 0.58222909754350 30.974 > 13 21 P 0.39927660341065 0.53773611052263 0.58222909754350 30.974 > 13 22 P 0.89927660341065 0.53773611052263 0.58222909754350 30.974 > 13 23 P 0.39927660341065 0.87106944385596 0.58222909754350 30.974 > 13 24 P 0.89927660341065 0.87106944385596 0.58222909754350 30.974 > 13 25 P 0.10072339658935 0.12893055614404 0.41777090245650 30.974 > 25 26 P 0.60072339658935 0.12893055614404 0.41777090245650 30.974 > 25 27 P 0.10072339658935 0.46226388947737 0.41777090245650 30.974 > 25 28 P 0.60072339658935 0.46226388947737 0.41777090245650 30.974 > 25 29 P 0.10072339658935 0.79559722281071 0.41777090245650 30.974 > 25 30 P 0.60072339658935 0.79559722281071 0.41777090245650 30.974 > 25 31 P 0.10072339658935 0.12893055614404 0.91777090245650 30.974 > 25 32 P 0.60072339658935 0.12893055614404 0.91777090245650 30.974 > 25 33 P 0.10072339658935 0.46226388947737 0.91777090245650 30.974 > 25 34 P 0.60072339658935 0.46226388947737 0.91777090245650 30.974 > 25 35 P 0.10072339658935 0.79559722281071 0.91777090245650 30.974 > 25 36 P 0.60072339658935 0.79559722281071 0.91777090245650 30.974 > 25 37 P 0.39927660341065 0.12893055614404 0.33222909754350 30.974 > 37 38 P 0.89927660341065 0.12893055614404 0.33222909754350 30.974 > 37 39 P 0.39927660341065 0.46226388947737 0.33222909754350 30.974 > 37 40 P 0.89927660341065 0.46226388947737 0.33222909754350 30.974 > 37 41 P 0.39927660341065 0.79559722281071 0.33222909754350 30.974 > 37 42 P 0.89927660341065 0.79559722281071 0.33222909754350 30.974 > 37 43 P 0.39927660341065 0.12893055614404 0.83222909754350 30.974 > 37 44 P 0.89927660341065 0.12893055614404 0.83222909754350 30.974 > 37 45 P 0.39927660341065 0.46226388947737 0.83222909754350 30.974 > 37 46 P 0.89927660341065 0.46226388947737 0.83222909754350 30.974 > 37 47 P 0.39927660341065 0.79559722281071 0.83222909754350 30.974 > 37 48 P 0.89927660341065 0.79559722281071 0.83222909754350 30.974 > 37 49 P 0.35072339658935 0.03773611052263 0.16777090245650 30.974 > 1 50 P 0.85072339658935 0.03773611052263 0.16777090245650 30.974 > 1 51 P 0.35072339658935 0.37106944385596 0.16777090245650 30.974 > 1 52 P 0.85072339658935 0.37106944385596 0.16777090245650 30.974 > 1 53 P 0.35072339658935 0.70440277718929 0.16777090245650 30.974 > 1 54 P 0.85072339658935 0.70440277718929 0.16777090245650 30.974 > 1 55 P 0.35072339658935 0.03773611052263 0.66777090245650 30.974 > 1 56 P 0.85072339658935 0.03773611052263 0.66777090245650 30.974 > 1 57 P 0.35072339658935 0.37106944385596 0.66777090245650 30.974 > 1 58 P 0.85072339658935 0.37106944385596 0.66777090245650 30.974 > 1 59 P 0.35072339658935 0.70440277718929 0.66777090245650 30.974 > 1 60 P 0.85072339658935 0.70440277718929 0.66777090245650 30.974 > 1 61 P 0.14927660341065 0.03773611052263 0.08222909754350 30.974 > 13 62 P 0.64927660341065 0.03773611052263 0.08222909754350 30.974 > 13 63 P 0.14927660341065 0.37106944385596 0.08222909754350 30.974 > 13 64 P 0.64927660341065 0.37106944385596 0.08222909754350 30.974 > 13 65 P 0.14927660341065 0.70440277718929 0.08222909754350 30.974 > 13 66 P 0.64927660341065 0.70440277718929 0.08222909754350 30.974 > 13 67 P 0.14927660341065 0.03773611052263 0.58222909754350 30.974 > 13 68 P 0.64927660341065 0.03773611052263 0.58222909754350 30.974 > 13 69 P 0.14927660341065 0.37106944385596 0.58222909754350 30.974 > 13 70 P 0.64927660341065 0.37106944385596 0.58222909754350 30.974 > 13 71 P 0.14927660341065 0.70440277718929 0.58222909754350 30.974 > 13 72 P 0.64927660341065 0.70440277718929 0.58222909754350 30.974 > 13 73 P 0.35072339658935 0.29559722281071 0.41777090245650 30.974 > 25 74 P 0.85072339658935 0.29559722281071 0.41777090245650 30.974 > 25 75 P 0.35072339658935 0.62893055614404 0.41777090245650 30.974 > 25 76 P 0.85072339658935 0.62893055614404 0.41777090245650 30.974 > 25 77 P 0.35072339658935 0.96226388947737 0.41777090245650 30.974 > 25 78 P 0.85072339658935 0.96226388947737 0.41777090245650 30.974 > 25 79 P 0.35072339658935 0.29559722281071 0.91777090245650 30.974 > 25 80 P 0.85072339658935 0.29559722281071 0.91777090245650 30.974 > 25 81 P 0.35072339658935 0.62893055614404 0.91777090245650 30.974 > 25 82 P 0.85072339658935 0.62893055614404 0.91777090245650 30.974 > 25 83 P 0.35072339658935 0.96226388947737 0.91777090245650 30.974 > 25 84 P 0.85072339658935 0.96226388947737 0.91777090245650 30.974 > 25 85 P 0.14927660341065 0.29559722281071 0.33222909754350 30.974 > 37 86 P 0.64927660341065 0.29559722281071 0.33222909754350 30.974 > 37 87 P 0.14927660341065 0.62893055614404 0.33222909754350 30.974 > 37 88 P 0.64927660341065 0.62893055614404 0.33222909754350 30.974 > 37 89 P 0.14927660341065 0.96226388947737 0.33222909754350 30.974 > 37 90 P 0.64927660341065 0.96226388947737 0.33222909754350 30.974 > 37 91 P 0.14927660341065 0.29559722281071 0.83222909754350 30.974 > 37 92 P 0.64927660341065 0.29559722281071 0.83222909754350 30.974 > 37 93 P 0.14927660341065 0.62893055614404 0.83222909754350 30.974 > 37 94 P 0.64927660341065 0.62893055614404 0.83222909754350 30.974 > 37 95 P 0.14927660341065 0.96226388947737 0.83222909754350 30.974 > 37 96 P 0.64927660341065 0.96226388947737 0.83222909754350 30.974 > 37 97 Ni 0.37500000000000 0.25000000000000 0.25000000000000 58.693 > 97 98 Ni 0.87500000000000 0.25000000000000 0.25000000000000 58.693 > 97 99 Ni 0.37500000000000 0.58333333333333 0.25000000000000 58.693 > 97 100 Ni 0.87500000000000 0.58333333333333 0.25000000000000 58.693 > 97 101 Ni 0.37500000000000 0.91666666666667 0.25000000000000 58.693 > 97 102 Ni 0.87500000000000 0.91666666666667 0.25000000000000 58.693 > 97 103 Ni 0.37500000000000 0.25000000000000 0.75000000000000 58.693 > 97 104 Ni 0.87500000000000 0.25000000000000 0.75000000000000 58.693 > 97 105 Ni 0.37500000000000 0.58333333333333 0.75000000000000 58.693 > 97 106 Ni 0.87500000000000 0.58333333333333 0.75000000000000 58.693 > 97 107 Ni 0.37500000000000 0.91666666666667 0.75000000000000 58.693 > 97 108 Ni 0.87500000000000 0.91666666666667 0.75000000000000 58.693 > 97 109 Ni 0.12500000000000 0.25000000000000 0.00000000000000 58.693 > 109 110 Ni 0.62500000000000 0.25000000000000 0.00000000000000 58.693 > 109 111 Ni 0.12500000000000 0.58333333333333 0.00000000000000 58.693 > 109 112 Ni 0.62500000000000 0.58333333333333 0.00000000000000 58.693 > 109 113 Ni 0.12500000000000 0.91666666666667 0.00000000000000 58.693 > 109 114 Ni 0.62500000000000 0.91666666666667 0.00000000000000 58.693 > 109 115 Ni 0.12500000000000 0.25000000000000 0.50000000000000 58.693 > 109 116 Ni 0.62500000000000 0.25000000000000 0.50000000000000 58.693 > 109 117 Ni 0.12500000000000 0.58333333333333 0.50000000000000 58.693 > 109 118 Ni 0.62500000000000 0.58333333333333 0.50000000000000 58.693 > 109 119 Ni 0.12500000000000 0.91666666666667 0.50000000000000 58.693 > 109 120 Ni 0.62500000000000 0.91666666666667 0.50000000000000 58.693 > 109 121 Ni 0.12500000000000 0.08333333333333 0.25000000000000 58.693 > 97 122 Ni 0.62500000000000 0.08333333333333 0.25000000000000 58.693 > 97 123 Ni 0.12500000000000 0.41666666666667 0.25000000000000 58.693 > 97 124 Ni 0.62500000000000 0.41666666666667 0.25000000000000 58.693 > 97 125 Ni 0.12500000000000 0.75000000000000 0.25000000000000 58.693 > 97 126 Ni 0.62500000000000 0.75000000000000 0.25000000000000 58.693 > 97 127 Ni 0.12500000000000 0.08333333333333 0.75000000000000 58.693 > 97 128 Ni 0.62500000000000 0.08333333333333 0.75000000000000 58.693 > 97 129 Ni 0.12500000000000 0.41666666666667 0.75000000000000 58.693 > 97 130 Ni 0.62500000000000 0.41666666666667 0.75000000000000 58.693 > 97 131 Ni 0.12500000000000 0.75000000000000 0.75000000000000 58.693 > 97 132 Ni 0.62500000000000 0.75000000000000 0.75000000000000 58.693 > 97 133 Ni 0.37500000000000 0.08333333333333 0.00000000000000 58.693 > 109 134 Ni 0.87500000000000 0.08333333333333 0.00000000000000 58.693 > 109 135 Ni 0.37500000000000 0.41666666666667 0.00000000000000 58.693 > 109 136 Ni 0.87500000000000 0.41666666666667 0.00000000000000 58.693 > 109 137 Ni 0.37500000000000 0.75000000000000 0.00000000000000 58.693 > 109 138 Ni 0.87500000000000 0.75000000000000 0.00000000000000 58.693 > 109 139 Ni 0.37500000000000 0.08333333333333 0.50000000000000 58.693 > 109 140 Ni 0.87500000000000 0.08333333333333 0.50000000000000 58.693 > 109 141 Ni 0.37500000000000 0.41666666666667 0.50000000000000 58.693 > 109 142 Ni 0.87500000000000 0.41666666666667 0.50000000000000 58.693 > 109 143 Ni 0.37500000000000 0.75000000000000 0.50000000000000 58.693 > 109 144 Ni 0.87500000000000 0.75000000000000 0.50000000000000 58.693 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 27.1016815 0.0000000 1.7901977 0.0000000 23.2487875 0.0000000 1.7901930 0.0000000 22.5723972 -------------------------- Born effective charges -------------------------- 1 P 0.7735370 -0.1052236 -0.5324208 -0.0745269 1.6166337 0.3597566 -0.6333488 0.4788988 1.2749927 2 P 0.7735370 0.1052236 -0.5324208 0.0745269 1.6166337 -0.3597566 -0.6333488 -0.4788988 1.2749927 3 P 0.7735370 0.1052236 -0.5324208 0.0745269 1.6166337 -0.3597566 -0.6333488 -0.4788988 1.2749927 4 P 0.7735370 -0.1052236 -0.5324208 -0.0745269 1.6166337 0.3597566 -0.6333488 0.4788988 1.2749927 5 Ni -1.5470739 0.0685244 1.0648415 -0.3466327 -3.2332674 -0.3762843 1.2666975 0.0501097 -2.5499854 6 Ni -1.5470739 -0.0685244 1.0648415 0.3466327 -3.2332674 0.3762843 1.2666975 -0.0501097 -2.5499854 ---------------------------------------------------------------------------- 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) 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 2026-01-07 18:33:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:33:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.149874621404537 -2.783017800000000 0.000000000000000 b 3.149874621404537 2.783017800000000 0.000000000000000 c -2.763047420305173 0.000000000000000 4.841396409015623 Atomic positions (fractional): 1 P 0.58823846161082 0.81465512474658 0.33554180491300 30.974 2 P 0.18534487525342 0.41176153838918 0.16445819508700 30.974 3 P 0.81465512474658 0.58823846161082 0.83554180491300 30.974 4 P 0.41176153838918 0.18534487525342 0.66445819508700 30.974 5 Ni 0.00000000000000 0.50000000000000 0.50000000000000 58.693 6 Ni 0.50000000000000 0.00000000000000 0.00000000000000 58.693 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.599498485618147 0.000000000000000 0.000000000000000 b 0.000000000000000 16.698106800000001 0.000000000000000 c -5.526094840610346 0.000000000000000 9.682792818031245 Atomic positions (fractional): 1 P 0.10072339658935 0.20440277718929 0.16777090245650 30.974 > 1 2 P 0.60072339658935 0.20440277718929 0.16777090245650 30.974 > 1 3 P 0.10072339658935 0.53773611052263 0.16777090245650 30.974 > 1 4 P 0.60072339658935 0.53773611052263 0.16777090245650 30.974 > 1 5 P 0.10072339658935 0.87106944385596 0.16777090245650 30.974 > 1 6 P 0.60072339658935 0.87106944385596 0.16777090245650 30.974 > 1 7 P 0.10072339658935 0.20440277718929 0.66777090245650 30.974 > 1 8 P 0.60072339658935 0.20440277718929 0.66777090245650 30.974 > 1 9 P 0.10072339658935 0.53773611052263 0.66777090245650 30.974 > 1 10 P 0.60072339658935 0.53773611052263 0.66777090245650 30.974 > 1 11 P 0.10072339658935 0.87106944385596 0.66777090245650 30.974 > 1 12 P 0.60072339658935 0.87106944385596 0.66777090245650 30.974 > 1 13 P 0.39927660341065 0.20440277718929 0.08222909754350 30.974 > 13 14 P 0.89927660341065 0.20440277718929 0.08222909754350 30.974 > 13 15 P 0.39927660341065 0.53773611052263 0.08222909754350 30.974 > 13 16 P 0.89927660341065 0.53773611052263 0.08222909754350 30.974 > 13 17 P 0.39927660341065 0.87106944385596 0.08222909754350 30.974 > 13 18 P 0.89927660341065 0.87106944385596 0.08222909754350 30.974 > 13 19 P 0.39927660341065 0.20440277718929 0.58222909754350 30.974 > 13 20 P 0.89927660341065 0.20440277718929 0.58222909754350 30.974 > 13 21 P 0.39927660341065 0.53773611052263 0.58222909754350 30.974 > 13 22 P 0.89927660341065 0.53773611052263 0.58222909754350 30.974 > 13 23 P 0.39927660341065 0.87106944385596 0.58222909754350 30.974 > 13 24 P 0.89927660341065 0.87106944385596 0.58222909754350 30.974 > 13 25 P 0.10072339658935 0.12893055614404 0.41777090245650 30.974 > 25 26 P 0.60072339658935 0.12893055614404 0.41777090245650 30.974 > 25 27 P 0.10072339658935 0.46226388947737 0.41777090245650 30.974 > 25 28 P 0.60072339658935 0.46226388947737 0.41777090245650 30.974 > 25 29 P 0.10072339658935 0.79559722281071 0.41777090245650 30.974 > 25 30 P 0.60072339658935 0.79559722281071 0.41777090245650 30.974 > 25 31 P 0.10072339658935 0.12893055614404 0.91777090245650 30.974 > 25 32 P 0.60072339658935 0.12893055614404 0.91777090245650 30.974 > 25 33 P 0.10072339658935 0.46226388947737 0.91777090245650 30.974 > 25 34 P 0.60072339658935 0.46226388947737 0.91777090245650 30.974 > 25 35 P 0.10072339658935 0.79559722281071 0.91777090245650 30.974 > 25 36 P 0.60072339658935 0.79559722281071 0.91777090245650 30.974 > 25 37 P 0.39927660341065 0.12893055614404 0.33222909754350 30.974 > 37 38 P 0.89927660341065 0.12893055614404 0.33222909754350 30.974 > 37 39 P 0.39927660341065 0.46226388947737 0.33222909754350 30.974 > 37 40 P 0.89927660341065 0.46226388947737 0.33222909754350 30.974 > 37 41 P 0.39927660341065 0.79559722281071 0.33222909754350 30.974 > 37 42 P 0.89927660341065 0.79559722281071 0.33222909754350 30.974 > 37 43 P 0.39927660341065 0.12893055614404 0.83222909754350 30.974 > 37 44 P 0.89927660341065 0.12893055614404 0.83222909754350 30.974 > 37 45 P 0.39927660341065 0.46226388947737 0.83222909754350 30.974 > 37 46 P 0.89927660341065 0.46226388947737 0.83222909754350 30.974 > 37 47 P 0.39927660341065 0.79559722281071 0.83222909754350 30.974 > 37 48 P 0.89927660341065 0.79559722281071 0.83222909754350 30.974 > 37 49 P 0.35072339658935 0.03773611052263 0.16777090245650 30.974 > 1 50 P 0.85072339658935 0.03773611052263 0.16777090245650 30.974 > 1 51 P 0.35072339658935 0.37106944385596 0.16777090245650 30.974 > 1 52 P 0.85072339658935 0.37106944385596 0.16777090245650 30.974 > 1 53 P 0.35072339658935 0.70440277718929 0.16777090245650 30.974 > 1 54 P 0.85072339658935 0.70440277718929 0.16777090245650 30.974 > 1 55 P 0.35072339658935 0.03773611052263 0.66777090245650 30.974 > 1 56 P 0.85072339658935 0.03773611052263 0.66777090245650 30.974 > 1 57 P 0.35072339658935 0.37106944385596 0.66777090245650 30.974 > 1 58 P 0.85072339658935 0.37106944385596 0.66777090245650 30.974 > 1 59 P 0.35072339658935 0.70440277718929 0.66777090245650 30.974 > 1 60 P 0.85072339658935 0.70440277718929 0.66777090245650 30.974 > 1 61 P 0.14927660341065 0.03773611052263 0.08222909754350 30.974 > 13 62 P 0.64927660341065 0.03773611052263 0.08222909754350 30.974 > 13 63 P 0.14927660341065 0.37106944385596 0.08222909754350 30.974 > 13 64 P 0.64927660341065 0.37106944385596 0.08222909754350 30.974 > 13 65 P 0.14927660341065 0.70440277718929 0.08222909754350 30.974 > 13 66 P 0.64927660341065 0.70440277718929 0.08222909754350 30.974 > 13 67 P 0.14927660341065 0.03773611052263 0.58222909754350 30.974 > 13 68 P 0.64927660341065 0.03773611052263 0.58222909754350 30.974 > 13 69 P 0.14927660341065 0.37106944385596 0.58222909754350 30.974 > 13 70 P 0.64927660341065 0.37106944385596 0.58222909754350 30.974 > 13 71 P 0.14927660341065 0.70440277718929 0.58222909754350 30.974 > 13 72 P 0.64927660341065 0.70440277718929 0.58222909754350 30.974 > 13 73 P 0.35072339658935 0.29559722281071 0.41777090245650 30.974 > 25 74 P 0.85072339658935 0.29559722281071 0.41777090245650 30.974 > 25 75 P 0.35072339658935 0.62893055614404 0.41777090245650 30.974 > 25 76 P 0.85072339658935 0.62893055614404 0.41777090245650 30.974 > 25 77 P 0.35072339658935 0.96226388947737 0.41777090245650 30.974 > 25 78 P 0.85072339658935 0.96226388947737 0.41777090245650 30.974 > 25 79 P 0.35072339658935 0.29559722281071 0.91777090245650 30.974 > 25 80 P 0.85072339658935 0.29559722281071 0.91777090245650 30.974 > 25 81 P 0.35072339658935 0.62893055614404 0.91777090245650 30.974 > 25 82 P 0.85072339658935 0.62893055614404 0.91777090245650 30.974 > 25 83 P 0.35072339658935 0.96226388947737 0.91777090245650 30.974 > 25 84 P 0.85072339658935 0.96226388947737 0.91777090245650 30.974 > 25 85 P 0.14927660341065 0.29559722281071 0.33222909754350 30.974 > 37 86 P 0.64927660341065 0.29559722281071 0.33222909754350 30.974 > 37 87 P 0.14927660341065 0.62893055614404 0.33222909754350 30.974 > 37 88 P 0.64927660341065 0.62893055614404 0.33222909754350 30.974 > 37 89 P 0.14927660341065 0.96226388947737 0.33222909754350 30.974 > 37 90 P 0.64927660341065 0.96226388947737 0.33222909754350 30.974 > 37 91 P 0.14927660341065 0.29559722281071 0.83222909754350 30.974 > 37 92 P 0.64927660341065 0.29559722281071 0.83222909754350 30.974 > 37 93 P 0.14927660341065 0.62893055614404 0.83222909754350 30.974 > 37 94 P 0.64927660341065 0.62893055614404 0.83222909754350 30.974 > 37 95 P 0.14927660341065 0.96226388947737 0.83222909754350 30.974 > 37 96 P 0.64927660341065 0.96226388947737 0.83222909754350 30.974 > 37 97 Ni 0.37500000000000 0.25000000000000 0.25000000000000 58.693 > 97 98 Ni 0.87500000000000 0.25000000000000 0.25000000000000 58.693 > 97 99 Ni 0.37500000000000 0.58333333333333 0.25000000000000 58.693 > 97 100 Ni 0.87500000000000 0.58333333333333 0.25000000000000 58.693 > 97 101 Ni 0.37500000000000 0.91666666666667 0.25000000000000 58.693 > 97 102 Ni 0.87500000000000 0.91666666666667 0.25000000000000 58.693 > 97 103 Ni 0.37500000000000 0.25000000000000 0.75000000000000 58.693 > 97 104 Ni 0.87500000000000 0.25000000000000 0.75000000000000 58.693 > 97 105 Ni 0.37500000000000 0.58333333333333 0.75000000000000 58.693 > 97 106 Ni 0.87500000000000 0.58333333333333 0.75000000000000 58.693 > 97 107 Ni 0.37500000000000 0.91666666666667 0.75000000000000 58.693 > 97 108 Ni 0.87500000000000 0.91666666666667 0.75000000000000 58.693 > 97 109 Ni 0.12500000000000 0.25000000000000 0.00000000000000 58.693 > 109 110 Ni 0.62500000000000 0.25000000000000 0.00000000000000 58.693 > 109 111 Ni 0.12500000000000 0.58333333333333 0.00000000000000 58.693 > 109 112 Ni 0.62500000000000 0.58333333333333 0.00000000000000 58.693 > 109 113 Ni 0.12500000000000 0.91666666666667 0.00000000000000 58.693 > 109 114 Ni 0.62500000000000 0.91666666666667 0.00000000000000 58.693 > 109 115 Ni 0.12500000000000 0.25000000000000 0.50000000000000 58.693 > 109 116 Ni 0.62500000000000 0.25000000000000 0.50000000000000 58.693 > 109 117 Ni 0.12500000000000 0.58333333333333 0.50000000000000 58.693 > 109 118 Ni 0.62500000000000 0.58333333333333 0.50000000000000 58.693 > 109 119 Ni 0.12500000000000 0.91666666666667 0.50000000000000 58.693 > 109 120 Ni 0.62500000000000 0.91666666666667 0.50000000000000 58.693 > 109 121 Ni 0.12500000000000 0.08333333333333 0.25000000000000 58.693 > 97 122 Ni 0.62500000000000 0.08333333333333 0.25000000000000 58.693 > 97 123 Ni 0.12500000000000 0.41666666666667 0.25000000000000 58.693 > 97 124 Ni 0.62500000000000 0.41666666666667 0.25000000000000 58.693 > 97 125 Ni 0.12500000000000 0.75000000000000 0.25000000000000 58.693 > 97 126 Ni 0.62500000000000 0.75000000000000 0.25000000000000 58.693 > 97 127 Ni 0.12500000000000 0.08333333333333 0.75000000000000 58.693 > 97 128 Ni 0.62500000000000 0.08333333333333 0.75000000000000 58.693 > 97 129 Ni 0.12500000000000 0.41666666666667 0.75000000000000 58.693 > 97 130 Ni 0.62500000000000 0.41666666666667 0.75000000000000 58.693 > 97 131 Ni 0.12500000000000 0.75000000000000 0.75000000000000 58.693 > 97 132 Ni 0.62500000000000 0.75000000000000 0.75000000000000 58.693 > 97 133 Ni 0.37500000000000 0.08333333333333 0.00000000000000 58.693 > 109 134 Ni 0.87500000000000 0.08333333333333 0.00000000000000 58.693 > 109 135 Ni 0.37500000000000 0.41666666666667 0.00000000000000 58.693 > 109 136 Ni 0.87500000000000 0.41666666666667 0.00000000000000 58.693 > 109 137 Ni 0.37500000000000 0.75000000000000 0.00000000000000 58.693 > 109 138 Ni 0.87500000000000 0.75000000000000 0.00000000000000 58.693 > 109 139 Ni 0.37500000000000 0.08333333333333 0.50000000000000 58.693 > 109 140 Ni 0.87500000000000 0.08333333333333 0.50000000000000 58.693 > 109 141 Ni 0.37500000000000 0.41666666666667 0.50000000000000 58.693 > 109 142 Ni 0.87500000000000 0.41666666666667 0.50000000000000 58.693 > 109 143 Ni 0.37500000000000 0.75000000000000 0.50000000000000 58.693 > 109 144 Ni 0.87500000000000 0.75000000000000 0.50000000000000 58.693 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 27.1016815 0.0000000 1.7901977 0.0000000 23.2487875 0.0000000 1.7901930 0.0000000 22.5723972 -------------------------- Born effective charges -------------------------- 1 P 0.7735370 -0.1052236 -0.5324208 -0.0745269 1.6166337 0.3597566 -0.6333488 0.4788988 1.2749927 2 P 0.7735370 0.1052236 -0.5324208 0.0745269 1.6166337 -0.3597566 -0.6333488 -0.4788988 1.2749927 3 P 0.7735370 0.1052236 -0.5324208 0.0745269 1.6166337 -0.3597566 -0.6333488 -0.4788988 1.2749927 4 P 0.7735370 -0.1052236 -0.5324208 -0.0745269 1.6166337 0.3597566 -0.6333488 0.4788988 1.2749927 5 Ni -1.5470739 0.0685244 1.0648415 -0.3466327 -3.2332674 -0.3762843 1.2666975 0.0501097 -2.5499854 6 Ni -1.5470739 -0.0685244 1.0648415 0.3466327 -3.2332674 0.3762843 1.2666975 -0.0501097 -2.5499854 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) 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 ... [ 13 13 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.94, Number of G-points: 293, Lambda: 0.49 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/462) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 9.787 ( 0.000 0.000 0.000) 0.000 10.187 ( 0.000 0.000 0.000) 0.000 11.260 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.519 ( 0.000 0.000 0.000) 0.000 12.688 ( 0.000 0.000 0.000) 0.000 12.858 ( 0.000 0.000 0.000) 0.000 13.463 ( 0.000 0.000 0.000) 0.000 13.756 ( 0.000 0.000 0.000) 0.000 13.846 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/462) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 30.735 -14.589 12.687) 36.310 0.849 ( 19.192 -49.133 -10.502) 53.783 1.357 ( 7.727 -80.665 17.817) 82.970 2.985 ( -5.826 -8.134 0.282) 10.010 4.677 ( 8.509 6.478 6.071) 12.297 5.909 ( -3.993 -1.489 -3.980) 5.831 6.949 ( -0.576 -4.734 1.099) 4.894 7.401 ( -2.027 4.604 -2.146) 5.469 9.827 ( -8.589 2.306 -3.084) 9.412 10.150 ( 0.626 5.388 -1.386) 5.598 11.319 ( 0.097 -7.364 0.866) 7.415 12.165 ( -1.523 -0.094 -0.987) 1.817 12.460 ( -5.761 0.770 -3.543) 6.807 12.702 ( 5.090 3.833 1.673) 6.588 13.011 ( -9.833 -12.663 -4.311) 16.602 13.461 ( 0.092 0.517 -0.197) 0.560 13.776 ( -0.526 -3.787 -1.337) 4.050 13.855 ( 0.574 -0.803 -0.094) 0.991 ======================= Grid point 2 (3/462) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 25.980 -10.941 11.158) 30.317 1.672 ( 17.499 -47.608 -10.074) 51.713 2.640 ( 5.070 -76.888 12.767) 78.105 3.060 ( -2.569 -7.834 5.738) 10.045 4.750 ( 11.258 9.266 10.707) 18.090 5.843 ( -4.926 -2.807 -6.377) 8.533 7.041 ( -0.806 -9.168 -0.500) 9.217 7.253 ( -0.304 11.260 -3.954) 11.938 9.625 ( -3.779 13.324 0.066) 13.849 10.033 ( -0.152 11.324 -0.247) 11.327 11.451 ( 0.082 -9.793 0.493) 9.806 12.130 ( -1.771 0.999 -1.703) 2.652 12.339 ( -6.855 1.239 -2.244) 7.319 12.723 ( 5.123 3.981 1.858) 6.749 13.042 ( -5.048 -7.403 -0.901) 9.005 13.443 ( 0.055 2.033 -0.558) 2.108 13.823 ( -1.206 -6.306 -2.490) 6.886 13.882 ( 1.211 -1.509 -0.035) 1.935 ======================= Grid point 3 (4/462) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 18.692 -6.170 7.939) 21.225 2.442 ( 15.049 -43.960 -8.498) 47.235 3.188 ( -0.501 -10.575 5.362) 11.867 3.784 ( 2.213 -66.712 8.491) 67.287 4.839 ( 8.426 7.429 14.928) 18.683 5.802 ( 0.386 -1.596 -4.648) 4.930 7.016 ( -3.910 12.995 -1.327) 13.635 7.190 ( 2.744 -10.567 -6.213) 12.561 9.390 ( -1.655 16.577 2.513) 16.847 9.830 ( -0.327 17.499 0.154) 17.502 11.572 ( -0.370 -7.726 -1.542) 7.887 12.057 ( -2.999 3.228 -2.746) 5.192 12.276 ( -4.530 -3.479 2.168) 6.110 12.743 ( 4.249 3.235 1.758) 5.623 13.073 ( -3.887 -5.360 -0.397) 6.633 13.395 ( -0.118 4.078 -0.971) 4.194 13.881 ( -1.772 -7.556 -3.322) 8.443 13.922 ( 1.760 -1.532 0.230) 2.345 ======================= Grid point 4 (5/462) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 11.333 -2.410 4.668) 12.491 3.100 ( 11.177 -30.500 -3.638) 32.687 3.400 ( 1.378 -17.768 1.921) 17.924 4.541 ( 4.343 -23.454 4.178) 24.216 5.059 ( -4.986 -28.735 10.166) 30.885 5.843 ( 10.107 4.746 4.369) 11.990 6.775 ( -2.618 10.554 -4.977) 11.958 7.333 ( 1.489 -11.116 -5.327) 12.416 9.173 ( -0.722 16.264 4.682) 16.940 9.552 ( 0.041 21.751 -0.106) 21.752 11.626 ( -1.092 -4.069 -3.131) 5.249 11.949 ( -3.422 3.423 -2.689) 5.537 12.352 ( -1.559 -8.121 5.508) 9.936 12.761 ( 3.303 2.507 1.610) 4.449 13.087 ( -3.667 -3.909 -0.674) 5.402 13.314 ( -0.283 5.981 -1.524) 6.179 13.936 ( -1.905 -6.937 -3.864) 8.166 13.969 ( 1.981 -1.439 0.920) 2.615 ======================= Grid point 5 (6/462) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 5.825 -0.636 2.466) 6.357 3.389 ( 3.385 -4.361 1.756) 5.793 3.814 ( 4.642 -31.810 -4.224) 32.423 4.736 ( 3.001 -0.669 7.731) 8.320 5.454 ( -5.907 -26.455 -4.031) 27.404 5.929 ( 6.025 9.531 9.985) 15.061 6.707 ( 1.904 -10.630 -2.508) 11.086 7.430 ( 1.021 -4.632 -5.063) 6.938 8.990 ( -1.137 14.051 6.152) 15.381 9.258 ( 1.035 19.289 -1.427) 19.370 11.633 ( -1.007 -2.202 -2.353) 3.376 11.851 ( -2.550 2.717 -2.159) 4.307 12.511 ( 0.000 -9.519 5.930) 11.215 12.774 ( 2.261 2.185 1.173) 3.356 13.084 ( -3.344 -2.882 -1.004) 4.528 13.207 ( -0.139 7.073 -1.977) 7.346 13.970 ( -0.962 -3.837 -2.623) 4.746 14.019 ( 1.104 -2.029 0.525) 2.368 ======================= Grid point 6 (7/462) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 1.789 -0.093 0.799) 1.961 3.445 ( 0.775 -0.484 0.255) 0.949 4.179 ( 2.049 -14.577 -1.400) 14.787 4.802 ( 0.076 -0.852 2.622) 2.758 5.613 ( 4.579 -2.309 1.052) 5.235 5.833 ( -5.101 4.779 -0.526) 7.010 7.017 ( 2.692 -20.706 2.802) 21.067 7.382 ( -0.069 7.906 -3.895) 8.814 8.853 ( -1.033 7.213 3.376) 8.031 9.073 ( 0.986 7.037 -1.234) 7.212 11.636 ( -0.356 -0.927 -0.751) 1.245 11.790 ( -0.954 1.199 -0.888) 1.771 12.670 ( 0.184 -7.237 3.656) 8.110 12.763 ( 0.973 3.170 -0.168) 3.320 13.076 ( -2.537 -2.428 -1.300) 3.744 13.108 ( 0.942 5.307 -0.650) 5.429 13.985 ( -0.274 -1.212 -0.895) 1.531 14.052 ( 0.346 -0.891 0.137) 0.965 ======================= Grid point 14 (8/462) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 35.830 -0.000 -9.304) 37.018 0.757 ( 17.168 -0.000 22.325) 28.162 1.361 ( 35.451 -0.000 23.646) 42.614 2.914 ( -0.981 0.000 6.270) 6.347 4.907 ( 12.909 -0.000 9.851) 16.238 5.783 ( -7.303 0.000 -7.786) 10.675 6.911 ( -0.711 0.000 -0.354) 0.795 7.400 ( -1.056 0.000 -1.978) 2.242 9.793 ( 0.392 -0.000 0.372) 0.540 10.183 ( -0.519 0.000 0.087) 0.526 11.283 ( 0.759 -0.000 2.178) 2.307 12.136 ( -1.468 0.000 -1.433) 2.052 12.364 ( -6.114 0.000 -5.212) 8.034 12.799 ( 4.160 -0.000 2.396) 4.800 12.877 ( 0.515 -0.000 1.936) 2.003 13.461 ( -0.108 0.000 -0.563) 0.573 13.728 ( -0.930 0.000 -2.442) 2.613 13.858 ( 1.098 -0.000 -0.139) 1.107 ======================= Grid point 15 (9/462) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 31.782 -29.645 -12.649) 45.265 1.466 ( 15.925 -30.352 15.772) 37.731 2.054 ( 20.182 -30.412 17.870) 40.639 2.993 ( -1.252 -5.322 9.277) 10.768 5.115 ( 14.246 8.627 13.566) 21.480 5.667 ( -5.104 -5.859 -8.984) 11.878 6.928 ( -0.569 -4.729 -2.117) 5.212 7.322 ( -2.897 5.383 -3.180) 6.891 9.749 ( -0.211 7.629 0.795) 7.673 10.140 ( -1.018 5.215 0.505) 5.337 11.359 ( 1.404 -5.804 2.593) 6.510 12.106 ( -1.419 0.281 -1.984) 2.455 12.245 ( -6.607 0.423 -4.388) 7.942 12.841 ( 3.844 2.824 1.976) 5.163 12.931 ( -0.368 -3.835 2.255) 4.464 13.449 ( -0.568 0.385 -1.186) 1.370 13.717 ( -1.562 -3.448 -3.428) 5.107 13.882 ( 1.672 -0.978 0.118) 1.941 ======================= Grid point 16 (10/462) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 18.935 -5.196 10.397) 22.218 2.056 ( 23.752 -35.851 -8.807) 43.898 2.890 ( 3.630 -47.049 4.737) 47.425 3.206 ( 2.119 -20.267 14.673) 25.110 5.119 ( 0.835 11.715 4.499) 12.577 5.779 ( 9.481 -7.681 3.013) 12.569 6.988 ( -3.034 -6.568 -0.342) 7.243 7.149 ( -2.303 7.844 -6.977) 10.747 9.605 ( -0.244 13.530 2.328) 13.731 10.018 ( -1.179 10.890 0.274) 10.957 11.484 ( 2.120 -6.167 1.293) 6.648 12.043 ( -2.978 2.917 -3.394) 5.376 12.176 ( -4.183 -3.944 -0.290) 5.756 12.850 ( 3.260 3.701 1.432) 5.136 12.990 ( -0.650 -3.133 2.211) 3.889 13.417 ( -0.985 1.505 -1.764) 2.519 13.734 ( -2.182 -6.114 -4.211) 7.738 13.927 ( 2.224 -1.636 0.624) 2.830 ======================= Grid point 17 (11/462) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 13.118 3.976 7.180) 15.474 2.764 ( 18.497 -35.582 -5.070) 40.422 3.261 ( 0.195 -11.873 5.018) 12.891 3.954 ( 3.506 -55.868 5.987) 56.297 4.973 ( -4.606 5.480 -0.853) 7.209 6.054 ( 12.800 -3.104 11.109) 17.230 6.840 ( -8.608 12.240 -1.511) 15.040 7.149 ( 1.829 -11.162 -7.429) 13.533 9.419 ( -0.384 15.709 4.100) 16.240 9.813 ( -1.220 16.633 -0.374) 16.681 11.579 ( 2.961 -2.527 -0.279) 3.903 11.934 ( -3.551 3.111 -2.729) 5.453 12.239 ( -1.932 -8.777 2.515) 9.332 12.841 ( 2.266 3.264 0.124) 3.975 13.032 ( -0.343 -1.505 2.386) 2.842 13.358 ( -0.993 3.338 -1.952) 3.993 13.772 ( -2.498 -7.836 -4.502) 9.376 13.986 ( 2.668 -1.584 1.230) 3.338 ======================= Grid point 18 (12/462) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 8.354 6.637 5.267) 11.899 3.388 ( 8.085 -9.920 3.748) 13.335 3.426 ( 5.873 -27.694 -3.482) 28.524 4.721 ( 6.639 -34.515 2.262) 35.221 4.889 ( -8.760 -12.374 -3.185) 15.492 6.270 ( 7.446 8.341 13.166) 17.273 6.580 ( -7.054 0.791 -3.974) 8.135 7.282 ( 1.063 -11.030 -5.913) 12.560 9.225 ( -1.336 15.781 5.838) 16.879 9.531 ( -1.034 20.363 -1.954) 20.483 11.632 ( 3.892 0.462 0.240) 3.927 11.843 ( -2.501 2.324 -1.612) 3.776 12.385 ( -1.284 -11.686 2.495) 12.019 12.819 ( 1.303 2.295 -1.288) 2.936 13.054 ( -0.244 0.081 1.853) 1.870 13.279 ( 0.081 5.245 -1.124) 5.365 13.824 ( -2.516 -8.160 -4.016) 9.437 14.048 ( 2.861 -0.766 1.723) 3.426 ======================= Grid point 19 (13/462) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 5.026 7.662 3.857) 9.942 3.441 ( -1.631 -1.222 1.876) 2.770 3.965 ( 12.820 -24.388 -2.990) 27.714 4.818 ( -1.236 -1.781 -1.530) 2.653 5.253 ( -6.453 -24.638 -1.423) 25.508 6.115 ( 1.195 16.859 3.809) 17.325 6.741 ( -1.037 -22.086 3.812) 22.436 7.361 ( -0.301 -3.851 -5.249) 6.517 9.026 ( -3.352 15.384 6.398) 16.995 9.232 ( -0.214 16.762 -3.976) 17.228 11.675 ( 4.659 1.878 1.929) 5.381 11.790 ( -0.966 1.087 -0.283) 1.481 12.542 ( -1.376 -11.496 -0.184) 11.579 12.789 ( 0.393 2.188 -2.273) 3.179 13.044 ( -1.196 0.553 -0.526) 1.418 13.219 ( 2.986 6.043 2.184) 7.085 13.876 ( -2.396 -7.107 -2.925) 8.050 14.096 ( 2.722 0.715 1.970) 3.435 ======================= Grid point 20 (14/462) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 2.215 8.527 2.552) 9.172 3.436 ( -2.383 0.002 1.712) 2.934 4.279 ( 8.938 -3.177 -6.109) 11.283 4.859 ( 2.793 0.166 1.964) 3.419 5.238 ( -17.819 -8.768 -6.580) 20.921 6.069 ( 7.028 5.166 6.467) 10.858 7.080 ( -0.091 -19.843 1.427) 19.895 7.269 ( -4.470 7.066 -3.121) 8.925 8.833 ( -3.137 7.646 0.721) 8.296 9.051 ( -0.660 5.587 -1.566) 5.840 11.714 ( 4.640 3.424 2.827) 6.422 11.794 ( 1.092 -1.141 1.847) 2.430 12.646 ( -1.964 -7.437 -3.309) 8.373 12.719 ( -0.490 4.333 -4.995) 6.631 13.039 ( -1.052 -3.283 0.402) 3.471 13.212 ( 5.082 5.938 4.218) 8.882 13.917 ( -2.274 -5.227 -1.731) 5.958 14.119 ( 2.391 2.590 2.110) 4.108 ======================= Grid point 21 (15/462) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -1.138 9.981 1.114) 10.107 3.398 ( -2.931 2.628 0.817) 4.021 4.196 ( 1.693 19.956 -0.872) 20.046 4.670 ( -7.743 11.338 -9.786) 16.861 5.357 ( -2.333 -24.621 -1.045) 24.754 6.083 ( 5.196 14.212 3.549) 15.543 6.884 ( -5.694 22.298 -0.859) 23.030 7.393 ( -2.130 -13.111 2.900) 13.595 8.798 ( -0.670 -7.596 -4.745) 8.981 9.047 ( -1.627 -8.118 0.599) 8.301 11.736 ( 3.974 4.000 3.603) 6.692 11.866 ( 3.053 -2.319 3.289) 5.051 12.570 ( -1.606 6.570 -6.354) 9.280 12.686 ( -1.197 -3.522 -4.574) 5.895 13.113 ( -0.777 -7.322 1.306) 7.478 13.224 ( 5.468 6.015 3.847) 8.993 13.939 ( -2.159 -3.070 -0.894) 3.858 14.113 ( 2.072 4.490 2.336) 5.469 ======================= Grid point 22 (16/462) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -6.101 12.766 -1.126) 14.194 3.287 ( -3.256 9.365 0.548) 9.930 3.770 ( -4.206 37.023 2.769) 37.364 4.447 ( -8.158 -5.105 -13.386) 16.486 5.638 ( -3.481 2.122 -4.771) 6.276 5.691 ( 8.578 32.600 -0.615) 33.715 6.684 ( -6.245 -3.775 6.203) 9.577 7.461 ( -0.723 3.269 3.286) 4.691 8.928 ( 0.545 -15.210 -4.880) 15.983 9.243 ( -0.871 -20.660 0.314) 20.680 11.748 ( 3.234 5.111 4.323) 7.434 11.966 ( 3.604 -2.858 3.018) 5.501 12.422 ( 0.274 6.209 -6.317) 8.862 12.675 ( -2.337 -1.990 -3.003) 4.294 13.214 ( 1.716 -2.898 0.561) 3.414 13.234 ( 2.607 1.033 2.788) 3.954 13.937 ( -1.889 -1.012 -0.513) 2.204 14.080 ( 1.775 6.062 2.557) 6.814 ======================= Grid point 23 (17/462) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -12.169 17.130 -4.283) 21.444 2.966 ( -6.443 39.120 8.080) 40.462 3.305 ( -1.324 15.066 -5.999) 16.270 4.365 ( -4.829 0.494 -5.806) 7.568 4.798 ( -5.737 56.115 -12.098) 57.690 5.860 ( 6.647 -2.599 3.496) 7.947 6.824 ( -3.645 -16.739 4.518) 17.717 7.366 ( -0.209 11.365 2.581) 11.656 9.152 ( 1.843 -18.593 -2.319) 18.828 9.548 ( -0.164 -22.616 -0.052) 22.616 11.713 ( 1.532 8.214 2.790) 8.809 12.069 ( 3.184 -2.991 2.205) 4.893 12.345 ( 3.213 2.158 -3.353) 5.121 12.646 ( -3.687 -1.413 -1.678) 4.290 13.215 ( 4.642 5.785 1.512) 7.569 13.321 ( -0.628 -6.714 0.395) 6.755 13.916 ( -1.320 0.563 -0.324) 1.471 14.025 ( 1.339 7.129 2.362) 7.629 ======================= Grid point 24 (18/462) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -14.543 22.293 -5.951) 27.274 2.280 ( -6.141 51.167 5.274) 51.803 3.158 ( 1.766 5.956 -2.855) 6.837 3.635 ( -1.240 78.050 -4.779) 78.206 4.445 ( -6.599 -9.937 -6.411) 13.542 5.954 ( 3.856 1.064 2.805) 4.885 7.066 ( -0.718 -17.716 1.688) 17.810 7.206 ( -0.242 12.567 1.361) 12.643 9.444 ( 3.174 -19.812 0.038) 20.065 9.832 ( -0.117 -17.925 0.217) 17.927 11.600 ( 0.376 10.876 0.548) 10.896 12.142 ( 1.470 -1.617 1.062) 2.429 12.402 ( 6.016 -3.176 0.307) 6.810 12.601 ( -5.312 -1.509 -1.127) 5.636 13.207 ( 4.515 4.663 1.537) 6.670 13.396 ( -0.327 -4.679 0.096) 4.691 13.889 ( -0.591 1.332 -0.138) 1.464 13.949 ( 0.727 7.507 1.485) 7.687 ======================= Grid point 25 (19/462) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -0.000 26.315 0.000) 26.315 1.525 ( -0.000 54.176 0.000) 54.176 2.460 ( -0.000 85.633 0.000) 85.633 3.108 ( -0.000 3.731 0.000) 3.731 4.503 ( 0.000 -7.424 -0.000) 7.424 5.969 ( -0.000 1.636 0.000) 1.636 7.050 ( -0.000 9.824 0.000) 9.824 7.292 ( 0.000 -13.604 -0.000) 13.604 9.747 ( 0.000 -18.611 -0.000) 18.611 10.035 ( 0.000 -11.439 -0.000) 11.439 11.449 ( -0.000 10.941 0.000) 10.941 12.171 ( 0.000 -0.957 -0.000) 0.957 12.533 ( -0.000 0.990 0.000) 0.990 12.558 ( 0.000 -7.590 -0.000) 7.590 13.210 ( -0.000 1.895 0.000) 1.895 13.443 ( 0.000 -2.270 -0.000) 2.270 13.860 ( -0.000 6.625 0.000) 6.625 13.866 ( -0.000 1.293 0.000) 1.293 ======================= Grid point 28 (20/462) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 15.140 -0.000 17.652) 23.255 1.479 ( 32.375 -0.000 -6.335) 32.989 2.309 ( 22.915 -0.000 10.783) 25.326 3.017 ( -0.734 0.000 12.164) 12.186 5.425 ( -8.511 0.000 -14.278) 16.622 5.530 ( 18.591 -0.000 19.424) 26.887 6.868 ( -0.495 0.000 -3.576) 3.610 7.286 ( -5.683 0.000 -2.708) 6.296 9.817 ( 0.992 -0.000 0.551) 1.135 10.163 ( -1.871 0.000 0.948) 2.098 11.369 ( 2.857 -0.000 4.292) 5.156 12.080 ( -0.760 0.000 -2.098) 2.231 12.133 ( -6.285 0.000 -5.234) 8.179 12.915 ( 3.106 -0.000 1.398) 3.406 12.939 ( 1.379 -0.000 3.677) 3.927 13.428 ( -1.400 0.000 -1.837) 2.310 13.644 ( -2.121 0.000 -4.076) 4.595 13.901 ( 2.266 -0.000 0.553) 2.333 ======================= Grid point 29 (21/462) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 27.492 -19.940 -6.646) 34.606 2.019 ( 12.119 -31.671 14.422) 36.850 2.632 ( 15.720 -5.228 3.668) 16.968 3.165 ( 2.024 -7.569 14.639) 16.604 5.170 ( -6.913 5.873 -13.592) 16.341 5.916 ( 13.624 -4.581 18.191) 23.184 6.871 ( -0.294 -4.601 -3.263) 5.648 7.148 ( -7.318 5.162 -3.192) 9.507 9.776 ( 0.802 8.138 1.307) 8.281 10.108 ( -2.330 4.960 0.395) 5.494 11.474 ( 4.245 -3.764 4.137) 7.021 12.010 ( -4.219 2.053 -4.150) 6.264 12.080 ( -1.460 -2.809 -1.923) 3.704 12.937 ( 2.452 2.715 0.818) 3.748 12.994 ( 1.742 -0.972 3.719) 4.220 13.394 ( -1.725 -0.063 -2.255) 2.840 13.608 ( -2.700 -3.276 -4.536) 6.213 13.946 ( 2.945 -0.960 1.343) 3.376 ======================= Grid point 30 (22/462) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 13.471 -13.431 1.358) 19.071 2.618 ( 20.655 -15.582 5.660) 26.485 2.995 ( 3.023 -29.975 0.567) 30.133 3.501 ( 7.187 -22.380 11.005) 25.955 4.932 ( -5.559 3.355 -13.036) 14.563 6.212 ( 5.472 -4.019 15.597) 17.011 6.871 ( -8.876 6.556 2.120) 11.236 7.000 ( 1.922 -4.556 -7.578) 9.049 9.645 ( 0.042 13.215 3.014) 13.555 9.971 ( -2.544 10.351 -0.809) 10.690 11.611 ( 5.860 -2.980 2.598) 7.069 11.910 ( -3.163 2.385 -2.419) 4.642 12.115 ( -1.466 -6.349 -0.797) 6.565 12.916 ( 1.726 4.234 0.092) 4.573 13.048 ( 1.334 -0.543 2.480) 2.868 13.361 ( -0.728 0.672 -1.359) 1.682 13.607 ( -2.917 -6.303 -4.774) 8.428 14.015 ( 3.556 -1.268 2.253) 4.397 ======================= Grid point 31 (23/462) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 8.348 7.012 5.754) 12.327 3.157 ( 14.882 -22.749 -1.712) 27.238 3.352 ( 3.128 -15.453 6.301) 16.979 4.132 ( 6.247 -44.275 2.530) 44.785 4.779 ( -2.465 -1.850 -11.763) 12.161 6.383 ( -3.987 -6.067 10.754) 12.975 6.594 ( -8.577 14.917 1.582) 17.280 7.119 ( 3.438 -9.697 -4.844) 11.372 9.466 ( -1.238 15.443 5.075) 16.303 9.746 ( -2.508 15.978 -2.677) 16.394 11.724 ( 6.941 0.178 1.722) 7.154 11.836 ( -1.695 2.556 -0.202) 3.074 12.209 ( -1.992 -10.867 -0.985) 11.092 12.873 ( 1.296 4.237 -0.574) 4.468 13.064 ( -0.413 0.329 -0.529) 0.747 13.345 ( 1.961 2.470 1.372) 3.440 13.644 ( -2.711 -8.575 -4.354) 9.992 14.093 ( 3.837 -0.629 2.904) 4.853 ======================= Grid point 32 (24/462) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 7.338 10.991 5.195) 14.200 3.376 ( -2.495 -5.687 1.916) 6.499 3.826 ( 18.260 -23.417 1.872) 29.753 4.560 ( -10.189 -15.195 -9.114) 20.439 4.944 ( 9.037 -26.035 -0.884) 27.573 6.257 ( -8.515 9.315 -3.782) 13.174 6.523 ( -6.937 -7.349 12.787) 16.298 7.246 ( 1.962 -8.120 -5.069) 9.771 9.258 ( -3.765 16.970 7.370) 18.881 9.443 ( -1.246 19.075 -5.690) 19.945 11.783 ( 0.223 0.253 -0.286) 0.442 11.818 ( 6.280 3.788 4.284) 8.494 12.340 ( -1.685 -12.778 -2.875) 13.205 12.823 ( 0.519 3.897 -1.329) 4.149 13.026 ( -1.696 0.887 -2.737) 3.340 13.361 ( 4.618 3.964 3.812) 7.182 13.711 ( -2.400 -9.112 -3.307) 9.986 14.159 ( 3.589 0.725 3.004) 4.736 ======================= Grid point 33 (25/462) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 6.489 13.834 4.895) 16.045 3.403 ( -3.318 -1.910 2.967) 4.843 4.283 ( 13.113 -6.387 -10.223) 17.812 4.582 ( -7.354 -25.649 -3.278) 26.883 5.187 ( -1.076 7.363 3.149) 8.080 6.145 ( -0.163 -4.128 -0.085) 4.132 6.690 ( -9.002 -23.474 6.620) 25.998 7.294 ( 0.406 -0.173 -4.894) 4.914 8.981 ( -6.185 18.929 3.543) 20.227 9.172 ( 0.641 13.566 -3.723) 14.082 11.784 ( 0.074 -0.724 0.981) 1.221 11.885 ( 7.009 3.898 5.263) 9.593 12.466 ( -1.105 -11.032 -4.656) 12.025 12.746 ( -0.445 4.919 -3.685) 6.162 12.988 ( -1.672 -1.229 -1.359) 2.480 13.391 ( 5.699 5.190 4.437) 8.895 13.784 ( -2.161 -7.999 -2.159) 8.562 14.199 ( 2.904 2.208 2.638) 4.502 ======================= Grid point 34 (26/462) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 4.559 17.471 4.364) 18.576 3.394 ( -3.217 0.432 2.523) 4.111 4.219 ( -5.400 -2.945 -16.424) 17.538 4.836 ( -7.330 24.408 1.233) 25.515 5.058 ( 11.482 -21.719 1.729) 24.628 6.207 ( -3.353 -1.067 5.624) 6.634 7.050 ( -3.397 -31.839 1.375) 32.049 7.140 ( -1.770 18.739 -2.956) 19.053 8.730 ( -3.690 6.229 -2.159) 7.555 9.024 ( -0.364 5.833 -0.425) 5.860 11.819 ( 1.549 -1.160 1.960) 2.755 11.952 ( 5.590 3.099 5.485) 8.423 12.521 ( -2.990 -3.520 -5.269) 7.006 12.652 ( 1.915 3.258 -5.110) 6.356 13.009 ( -2.031 -5.657 0.180) 6.014 13.410 ( 5.461 6.420 3.851) 9.266 13.844 ( -1.919 -5.913 -1.240) 6.339 14.207 ( 2.083 3.431 2.144) 4.551 ======================= Grid point 35 (27/462) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 0.500 22.151 2.332) 22.279 3.343 ( -2.344 3.518 0.996) 4.343 4.112 ( -6.976 -8.126 -11.952) 16.048 4.297 ( -6.127 38.259 0.260) 38.748 5.523 ( 12.379 -17.950 0.175) 21.805 6.133 ( -3.970 11.696 1.837) 12.488 6.738 ( -6.117 25.001 1.759) 25.799 7.392 ( -0.305 -16.578 1.309) 16.632 8.716 ( -0.565 -9.883 -3.735) 10.581 9.024 ( -0.797 -8.049 0.339) 8.095 11.867 ( 2.532 1.378 3.116) 4.245 12.013 ( 3.536 0.602 3.741) 5.183 12.433 ( -2.338 2.930 -5.308) 6.498 12.633 ( 1.534 0.566 -3.131) 3.532 13.090 ( -1.695 -8.820 0.070) 8.982 13.398 ( 4.275 7.122 2.609) 8.707 13.882 ( -1.473 -3.503 -0.610) 3.848 14.186 ( 1.357 4.495 1.684) 4.988 ======================= Grid point 36 (28/462) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -3.320 26.506 -0.450) 26.716 3.271 ( -0.067 6.022 2.268) 6.436 3.660 ( -4.273 43.226 -1.947) 43.480 4.117 ( -4.438 -11.190 -5.598) 13.276 5.513 ( -0.854 45.645 -2.519) 45.722 5.955 ( 8.802 1.570 -0.252) 8.944 6.570 ( -7.345 -10.705 4.079) 13.608 7.490 ( 0.236 2.664 1.091) 2.888 8.897 ( 0.674 -17.824 -1.819) 17.930 9.231 ( -0.324 -21.151 0.093) 21.153 11.856 ( 1.258 6.712 2.192) 7.172 12.080 ( 2.204 -2.330 1.496) 3.539 12.360 ( -0.077 0.594 -2.691) 2.757 12.610 ( -0.433 1.547 -1.234) 2.026 13.201 ( -0.723 -8.978 -0.131) 9.008 13.357 ( 2.520 6.551 1.269) 7.133 13.897 ( -0.768 -1.269 -0.221) 1.500 14.138 ( 0.716 5.666 1.069) 5.811 ======================= Grid point 37 (29/462) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -0.000 28.121 0.000) 28.121 2.967 ( -0.000 49.531 0.000) 49.531 3.225 ( -0.000 4.511 0.000) 4.511 4.229 ( 0.000 -11.601 -0.000) 11.601 4.650 ( -0.000 70.193 0.000) 70.193 6.003 ( -0.000 0.776 0.000) 0.776 6.790 ( 0.000 -20.879 -0.000) 20.879 7.384 ( -0.000 11.654 0.000) 11.654 9.171 ( 0.000 -21.131 -0.000) 21.131 9.546 ( 0.000 -22.885 -0.000) 22.885 11.752 ( -0.000 9.891 0.000) 9.891 12.132 ( 0.000 -2.077 -0.000) 2.077 12.380 ( 0.000 -3.896 -0.000) 3.896 12.573 ( -0.000 1.897 0.000) 1.897 13.299 ( -0.000 4.821 0.000) 4.821 13.310 ( 0.000 -7.282 -0.000) 7.282 13.897 ( -0.000 0.401 0.000) 0.401 14.060 ( -0.000 6.890 0.000) 6.890 ======================= Grid point 42 (30/462) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 11.151 -0.000 10.042) 15.006 2.115 ( 23.178 -0.000 -1.775) 23.246 2.872 ( 20.000 -0.000 -0.793) 20.015 3.252 ( 3.519 -0.000 17.826) 18.170 4.989 ( -7.900 0.000 -19.491) 21.031 6.149 ( 5.239 -0.000 19.151) 19.855 6.831 ( 2.783 -0.000 -2.226) 3.563 7.066 ( -9.255 0.000 -1.452) 9.368 9.853 ( 1.148 -0.000 0.593) 1.292 10.109 ( -3.364 0.000 0.285) 3.376 11.535 ( 4.696 -0.000 4.575) 6.556 11.950 ( -2.565 0.000 -3.105) 4.028 12.038 ( -0.491 0.000 -2.567) 2.614 12.993 ( 2.462 -0.000 0.230) 2.473 13.035 ( 1.777 -0.000 2.912) 3.411 13.356 ( -1.435 0.000 -1.638) 2.177 13.517 ( -3.175 0.000 -4.591) 5.582 13.995 ( 3.974 -0.000 2.561) 4.728 ======================= Grid point 43 (31/462) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 10.310 -30.266 2.266) 32.054 2.438 ( 10.412 -14.550 5.022) 18.583 3.058 ( 21.015 5.972 -2.433) 21.982 3.504 ( 8.495 -7.997 15.025) 19.023 4.752 ( -7.330 -0.327 -19.845) 21.158 6.278 ( -4.778 -2.058 13.808) 14.756 6.860 ( -4.480 3.545 1.857) 6.007 6.948 ( -0.570 -1.705 -1.865) 2.590 9.813 ( 0.499 7.887 1.555) 8.054 10.031 ( -3.585 4.800 -0.768) 6.040 11.641 ( 3.680 -4.013 2.095) 5.834 11.919 ( 1.664 2.236 0.420) 2.819 12.024 ( -1.727 -2.582 -2.755) 4.152 12.996 ( 1.979 3.445 0.029) 3.973 13.061 ( 0.070 -0.307 -0.522) 0.610 13.355 ( 1.137 -0.920 0.864) 1.699 13.468 ( -3.325 -3.363 -4.569) 6.576 14.076 ( 5.039 -0.375 3.955) 6.417 ======================= Grid point 44 (32/462) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 4.943 -8.673 2.017) 10.184 3.017 ( 0.293 -38.244 4.840) 38.550 3.248 ( 21.756 1.236 2.441) 21.928 3.876 ( 13.653 -16.677 5.763) 22.310 4.567 ( -5.940 -4.696 -18.796) 20.264 6.301 ( -10.415 -2.567 10.355) 14.910 6.669 ( -8.974 9.114 3.080) 13.156 7.033 ( 2.534 -5.745 -2.533) 6.771 9.682 ( -1.031 12.910 3.991) 13.552 9.875 ( -2.837 10.410 -2.944) 11.184 11.740 ( 1.121 -4.069 -0.361) 4.236 11.936 ( 5.925 3.920 3.714) 8.017 12.039 ( -2.572 -6.914 -2.835) 7.903 12.955 ( 1.456 5.164 -0.189) 5.368 13.039 ( -1.523 -0.080 -3.245) 3.585 13.410 ( 3.455 -0.272 2.888) 4.511 13.470 ( -2.790 -7.027 -4.293) 8.695 14.174 ( 5.563 0.423 4.825) 7.376 ======================= Grid point 45 (33/462) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 4.105 0.418 3.423) 5.361 3.309 ( 1.491 -6.104 1.358) 6.428 3.718 ( 13.820 -24.281 8.756) 29.278 4.269 ( 3.045 -8.034 -5.991) 10.475 4.588 ( 4.860 -30.230 -13.265) 33.368 6.212 ( -11.104 4.513 4.137) 12.680 6.499 ( -9.598 4.159 9.857) 14.373 7.113 ( 0.216 -8.097 -5.812) 9.970 9.495 ( -3.556 15.982 7.306) 17.929 9.634 ( -0.855 16.117 -6.351) 17.345 11.765 ( -1.552 -0.947 0.267) 1.837 12.001 ( 7.998 3.902 4.205) 9.843 12.123 ( -1.545 -11.828 -3.336) 12.386 12.888 ( 0.422 5.607 -1.045) 5.719 12.991 ( -1.528 0.417 -3.616) 3.947 13.473 ( 3.442 0.030 2.785) 4.428 13.533 ( -1.177 -8.555 -2.781) 9.072 14.257 ( 5.096 2.114 4.633) 7.205 ======================= Grid point 46 (34/462) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 7.018 8.071 4.990) 11.802 3.369 ( -0.947 -1.036 3.197) 3.491 4.110 ( -12.948 -8.729 -10.498) 18.816 4.332 ( 19.359 -16.609 0.147) 25.508 5.120 ( 6.576 -27.990 -2.378) 28.851 6.033 ( -5.474 1.983 -2.166) 6.212 6.440 ( -13.311 -3.833 12.972) 18.977 7.189 ( -0.240 -8.931 -6.596) 11.106 9.226 ( -6.311 21.795 5.628) 23.378 9.364 ( 1.807 15.915 -5.474) 16.927 11.764 ( -1.660 -1.815 0.990) 2.651 12.066 ( 6.877 4.289 4.426) 9.234 12.263 ( -0.112 -12.485 -3.696) 13.021 12.796 ( 0.028 5.851 -2.724) 6.454 12.947 ( -1.640 0.203 -2.188) 2.742 13.532 ( 3.960 1.259 3.076) 5.170 13.624 ( -1.128 -8.778 -2.076) 9.091 14.300 ( 3.767 3.693 3.517) 6.340 ======================= Grid point 47 (35/462) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 8.620 17.504 6.552) 20.582 3.372 ( -2.947 -0.058 2.563) 3.906 3.911 ( -12.853 -5.259 -15.607) 20.891 4.860 ( 16.629 -21.173 1.299) 26.954 5.209 ( -1.024 16.314 2.457) 16.530 6.098 ( -4.051 -10.792 0.091) 11.527 6.548 ( -8.034 -27.969 5.489) 29.613 7.232 ( 0.038 -0.879 -4.261) 4.351 8.866 ( -4.117 20.822 0.023) 21.225 9.158 ( 0.503 12.948 -1.018) 12.998 11.799 ( -0.380 -3.918 1.413) 4.182 12.108 ( 4.767 4.390 3.997) 7.614 12.382 ( -0.891 -7.926 -3.707) 8.795 12.710 ( 2.406 4.946 -2.986) 6.258 12.919 ( -2.920 -2.257 -0.954) 3.812 13.567 ( 3.900 3.970 2.809) 6.234 13.715 ( -1.372 -8.229 -1.425) 8.464 14.299 ( 2.167 4.340 2.105) 5.288 ======================= Grid point 48 (36/462) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 4.340 27.239 3.954) 27.865 3.343 ( -2.704 -0.012 0.299) 2.721 3.800 ( -7.129 -9.714 -8.858) 14.955 4.783 ( -0.936 33.840 0.961) 33.867 5.406 ( 12.161 -22.908 0.043) 25.936 6.086 ( -8.931 -0.882 3.157) 9.513 7.012 ( -1.128 -34.756 1.506) 34.806 7.084 ( -0.070 19.866 -2.216) 19.989 8.636 ( -1.376 4.665 -1.370) 5.053 9.016 ( -0.119 6.425 -0.015) 6.426 11.874 ( 0.718 -4.591 1.375) 4.845 12.113 ( 2.199 4.377 2.500) 5.499 12.390 ( -1.834 -0.361 -3.086) 3.608 12.679 ( 3.066 3.496 -1.501) 4.886 12.947 ( -2.295 -7.687 -0.304) 8.028 13.550 ( 2.359 6.354 1.532) 6.949 13.795 ( -0.854 -6.306 -0.559) 6.389 14.267 ( 0.872 4.268 0.935) 4.456 ======================= Grid point 49 (37/462) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -0.000 29.901 0.000) 29.901 3.319 ( -0.000 1.661 0.000) 1.661 3.869 ( 0.000 -9.385 -0.000) 9.385 4.263 ( -0.000 39.000 0.000) 39.000 5.763 ( 0.000 -10.048 -0.000) 10.048 6.023 ( -0.000 0.821 0.000) 0.821 6.671 ( -0.000 30.554 0.000) 30.554 7.401 ( 0.000 -17.787 -0.000) 17.787 8.682 ( 0.000 -11.344 -0.000) 11.344 9.016 ( 0.000 -7.899 -0.000) 7.899 11.928 ( -0.000 0.055 0.000) 0.055 12.086 ( -0.000 1.529 0.000) 1.529 12.355 ( -0.000 1.151 0.000) 1.151 12.643 ( -0.000 3.326 0.000) 3.326 13.061 ( 0.000 -9.985 -0.000) 9.985 13.474 ( -0.000 7.229 0.000) 7.229 13.858 ( 0.000 -3.718 -0.000) 3.718 14.216 ( -0.000 4.519 0.000) 4.519 ======================= Grid point 56 (38/462) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 5.808 -0.000 3.416) 6.738 2.507 ( 8.813 -0.000 1.531) 8.945 3.364 ( 25.745 -0.000 -7.200) 26.732 3.672 ( 8.453 -0.000 18.158) 20.030 4.507 ( -7.769 0.000 -20.382) 21.813 6.253 ( -9.943 0.000 11.021) 14.843 6.832 ( -8.714 0.000 0.499) 8.728 6.930 ( 1.304 -0.000 1.572) 2.042 9.885 ( 0.767 -0.000 0.533) 0.934 10.012 ( -4.086 0.000 -0.389) 4.104 11.644 ( 1.609 -0.000 0.110) 1.613 11.952 ( -3.485 0.000 -3.604) 5.014 12.006 ( 6.277 -0.000 3.818) 7.347 13.034 ( -1.442 0.000 -3.293) 3.595 13.044 ( 1.845 -0.000 -0.440) 1.897 13.372 ( -3.434 0.000 -4.261) 5.473 13.388 ( 3.100 -0.000 2.737) 4.135 14.181 ( 6.626 -0.000 5.723) 8.755 ======================= Grid point 57 (39/462) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 2.218 -29.930 2.776) 30.140 2.644 ( 3.706 -6.891 1.058) 7.895 3.596 ( 24.310 4.803 -2.373) 24.893 3.923 ( 9.210 -7.675 4.789) 12.910 4.316 ( -4.701 -1.400 -13.465) 14.331 6.209 ( -11.769 -1.799 11.476) 16.537 6.691 ( -7.430 6.180 1.853) 9.840 6.948 ( -3.110 -3.969 -2.697) 5.718 9.840 ( -0.550 7.707 2.334) 8.072 9.929 ( -2.700 4.941 -2.108) 6.012 11.693 ( 1.375 -3.649 0.070) 3.900 11.891 ( -4.598 -3.069 -4.170) 6.924 12.107 ( 7.305 2.232 4.868) 9.058 12.990 ( -1.643 -0.140 -3.938) 4.270 13.034 ( 1.372 3.594 -0.539) 3.885 13.329 ( -2.966 -3.836 -3.871) 6.204 13.460 ( 3.602 -1.436 2.616) 4.678 14.305 ( 7.239 1.046 6.478) 9.770 ======================= Grid point 58 (40/462) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 0.608 -8.877 2.614) 9.274 3.047 ( -0.304 -31.542 1.184) 31.566 3.833 ( 19.101 -0.887 6.720) 20.268 4.119 ( -3.650 -16.502 -20.301) 26.415 4.296 ( 11.247 -3.065 1.893) 11.810 6.166 ( -11.435 0.140 11.760) 16.404 6.528 ( -7.081 7.359 4.588) 11.196 6.935 ( -4.325 -7.195 -7.901) 11.528 9.703 ( -3.379 12.849 6.524) 14.802 9.776 ( 0.367 11.059 -6.107) 12.638 11.727 ( -2.469 -1.115 0.192) 2.716 11.919 ( -0.526 -10.393 -3.851) 11.096 12.185 ( 6.494 3.564 4.726) 8.787 12.936 ( -1.605 1.983 -3.133) 4.040 12.985 ( 1.003 3.948 -1.186) 4.242 13.354 ( -2.231 -7.600 -2.903) 8.436 13.543 ( 3.432 -1.795 1.994) 4.356 14.403 ( 6.274 3.266 5.691) 9.079 ======================= Grid point 59 (41/462) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 2.254 -7.582 3.598) 8.690 3.331 ( -0.985 -11.048 0.592) 11.108 3.938 ( -3.336 8.754 -7.141) 11.779 4.306 ( 11.648 -21.226 5.001) 24.723 4.669 ( 9.053 -32.279 -8.852) 34.673 6.066 ( -6.679 7.331 5.876) 11.527 6.386 ( -9.622 5.017 8.778) 13.957 6.968 ( -2.359 -12.413 -8.371) 15.157 9.483 ( -5.048 18.800 6.092) 20.397 9.565 ( 2.432 14.720 -5.867) 16.032 11.709 ( -3.013 -2.313 0.040) 3.799 12.067 ( 1.520 -12.182 -3.013) 12.641 12.232 ( 4.400 3.863 4.240) 7.229 12.857 ( -0.215 4.521 -2.157) 5.014 12.935 ( -0.495 2.728 -1.577) 3.190 13.437 ( -1.515 -9.754 -1.626) 10.004 13.616 ( 2.883 -1.208 1.437) 3.440 14.440 ( 4.132 5.448 3.780) 7.813 ======================= Grid point 60 (42/462) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 5.926 -3.293 5.848) 8.954 3.399 ( 0.108 2.366 1.546) 2.828 3.651 ( -9.325 7.807 -10.141) 15.835 4.770 ( 11.700 -19.472 2.603) 22.865 5.170 ( 0.464 -28.071 -2.746) 28.209 5.933 ( -1.449 2.061 -0.634) 2.598 6.296 ( -8.154 -2.016 6.725) 10.760 7.092 ( -0.488 -12.871 -3.832) 13.438 9.156 ( -2.369 24.332 1.037) 24.469 9.355 ( 0.685 14.937 -1.180) 14.999 11.732 ( -1.223 -4.660 0.358) 4.832 12.217 ( 3.342 -4.854 -2.446) 6.381 12.249 ( -0.517 -1.529 2.976) 3.385 12.795 ( 2.505 4.327 -0.975) 5.094 12.872 ( -2.750 1.982 -1.204) 3.597 13.555 ( -0.711 -9.973 -0.443) 10.008 13.658 ( 1.729 0.606 0.714) 1.966 14.411 ( 1.747 6.298 1.624) 6.735 ======================= Grid point 61 (43/462) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -0.000 28.952 0.000) 28.952 3.278 ( 0.000 -5.351 -0.000) 5.351 3.589 ( 0.000 -8.907 -0.000) 8.907 5.155 ( 0.000 -23.451 -0.000) 23.451 5.178 ( -0.000 20.353 0.000) 20.353 6.011 ( 0.000 -5.789 -0.000) 5.789 6.489 ( 0.000 -33.043 -0.000) 33.043 7.199 ( 0.000 -2.227 -0.000) 2.227 8.813 ( -0.000 21.358 0.000) 21.358 9.158 ( -0.000 13.050 0.000) 13.050 11.804 ( 0.000 -5.958 -0.000) 5.958 12.199 ( -0.000 4.517 0.000) 4.517 12.335 ( 0.000 -5.166 -0.000) 5.166 12.760 ( -0.000 5.055 0.000) 5.055 12.842 ( 0.000 -3.750 -0.000) 3.750 13.641 ( -0.000 3.786 0.000) 3.786 13.682 ( 0.000 -8.808 -0.000) 8.808 14.343 ( -0.000 5.447 0.000) 5.447 ======================= Grid point 70 (44/462) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 2.531 -0.000 0.503) 2.580 2.633 ( 1.366 -0.000 0.981) 1.681 3.844 ( -5.060 0.000 -11.583) 12.640 3.906 ( 25.571 -0.000 -7.071) 26.531 4.327 ( 6.480 -0.000 8.325) 10.550 6.136 ( -11.826 0.000 13.283) 17.785 6.670 ( -5.475 0.000 1.275) 5.621 6.819 ( -7.297 0.000 -6.094) 9.507 9.904 ( 0.359 -0.000 0.358) 0.507 9.919 ( -2.823 0.000 -0.370) 2.847 11.693 ( 2.474 -0.000 0.604) 2.547 11.775 ( -5.826 0.000 -4.174) 7.166 12.241 ( 6.381 -0.000 4.540) 7.831 12.947 ( -1.019 0.000 -3.421) 3.569 13.070 ( 0.948 -0.000 -0.764) 1.218 13.242 ( -2.631 0.000 -3.262) 4.191 13.503 ( 2.858 -0.000 1.794) 3.375 14.452 ( 7.415 -0.000 6.615) 9.937 ======================= Grid point 71 (45/462) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 0.175 -27.571 2.115) 27.653 2.695 ( 0.980 -7.054 -0.493) 7.139 3.731 ( -5.748 -7.687 -12.647) 15.877 4.148 ( 21.028 0.797 -4.015) 21.423 4.451 ( 6.646 3.699 7.277) 10.527 6.108 ( -10.640 -1.432 14.471) 18.019 6.576 ( -4.192 5.512 1.849) 7.167 6.712 ( -6.556 -5.343 -10.032) 13.121 9.841 ( -3.052 6.890 3.210) 8.191 9.868 ( 1.311 5.949 -3.128) 6.848 11.675 ( -4.181 -0.024 -1.859) 4.576 11.783 ( 1.577 -6.865 -0.752) 7.084 12.322 ( 4.594 2.029 3.536) 6.143 12.914 ( -0.722 0.522 -2.449) 2.607 13.048 ( 0.635 3.455 -0.775) 3.597 13.226 ( -1.810 -4.425 -2.294) 5.303 13.558 ( 2.045 -2.003 1.073) 3.057 14.559 ( 5.689 2.522 5.055) 8.017 ======================= Grid point 72 (46/462) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 0.182 -11.367 1.828) 11.514 3.048 ( -0.382 -27.493 0.409) 27.499 3.776 ( -3.410 -17.467 -8.785) 19.847 4.326 ( 11.091 3.068 6.332) 13.135 4.507 ( 4.525 -4.004 -4.273) 7.401 6.094 ( -6.212 1.218 8.523) 10.617 6.454 ( -3.378 8.678 3.375) 9.905 6.702 ( -2.530 -12.079 -8.171) 14.801 9.692 ( -2.559 13.090 3.077) 13.688 9.740 ( 1.512 11.472 -2.978) 11.949 11.638 ( -2.499 -2.150 -0.805) 3.393 11.916 ( 1.271 -10.081 -0.620) 10.180 12.346 ( 2.331 3.344 2.066) 4.570 12.877 ( -0.455 1.715 -1.316) 2.209 12.989 ( 0.336 5.013 -0.608) 5.060 13.286 ( -0.906 -8.164 -1.060) 8.282 13.618 ( 1.207 -2.753 0.565) 3.059 14.584 ( 2.821 5.293 2.515) 6.503 ======================= Grid point 73 (47/462) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 0.000 -12.695 -0.000) 12.695 3.301 ( 0.000 -12.011 -0.000) 12.011 3.802 ( -0.000 12.225 0.000) 12.225 4.623 ( 0.000 -36.107 -0.000) 36.107 4.640 ( 0.000 -12.915 -0.000) 12.915 6.028 ( -0.000 7.318 0.000) 7.318 6.318 ( -0.000 7.709 0.000) 7.709 6.864 ( 0.000 -16.024 -0.000) 16.024 9.457 ( -0.000 19.923 0.000) 19.923 9.559 ( -0.000 14.271 0.000) 14.271 11.663 ( 0.000 -3.876 -0.000) 3.876 12.073 ( 0.000 -11.450 -0.000) 11.450 12.317 ( -0.000 3.986 0.000) 3.986 12.844 ( -0.000 1.906 0.000) 1.906 12.913 ( -0.000 5.721 0.000) 5.721 13.406 ( 0.000 -10.147 -0.000) 10.147 13.662 ( 0.000 -1.832 -0.000) 1.832 14.523 ( -0.000 6.859 0.000) 6.859 ======================= Grid point 84 (48/462) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 0.683 -0.000 -0.209) 0.714 2.649 ( -0.110 0.000 0.207) 0.235 3.554 ( -3.462 0.000 -6.949) 7.763 4.332 ( 12.845 -0.000 -3.456) 13.302 4.603 ( 3.911 -0.000 5.347) 6.624 6.083 ( -7.148 0.000 12.361) 14.279 6.517 ( -4.669 0.000 -9.488) 10.574 6.597 ( -1.764 0.000 0.621) 1.870 9.870 ( -0.904 0.000 -0.125) 0.913 9.913 ( 0.101 -0.000 0.122) 0.158 11.610 ( -2.931 0.000 -2.006) 3.552 11.759 ( 1.470 -0.000 0.662) 1.612 12.398 ( 2.337 -0.000 1.911) 3.019 12.900 ( -0.195 0.000 -1.207) 1.222 13.074 ( 0.303 -0.000 -0.504) 0.589 13.163 ( -1.059 0.000 -1.266) 1.650 13.565 ( 0.964 -0.000 0.463) 1.069 14.663 ( 3.269 -0.000 2.870) 4.350 ======================= Grid point 85 (49/462) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 0.000 -27.957 -0.000) 27.957 2.701 ( 0.000 -7.332 -0.000) 7.332 3.551 ( 0.000 -6.855 -0.000) 6.855 4.424 ( 0.000 -3.448 -0.000) 3.448 4.579 ( -0.000 9.189 0.000) 9.189 6.090 ( 0.000 -0.403 -0.000) 0.403 6.505 ( 0.000 -7.729 -0.000) 7.729 6.550 ( -0.000 5.407 0.000) 5.407 9.821 ( -0.000 6.365 0.000) 6.365 9.867 ( -0.000 6.604 0.000) 6.604 11.593 ( 0.000 -1.236 -0.000) 1.236 11.812 ( 0.000 -5.777 -0.000) 5.777 12.405 ( -0.000 1.939 0.000) 1.939 12.888 ( -0.000 0.954 0.000) 0.954 13.050 ( -0.000 3.351 0.000) 3.351 13.186 ( 0.000 -4.692 -0.000) 4.692 13.590 ( 0.000 -2.258 -0.000) 2.258 14.671 ( -0.000 3.101 0.000) 3.101 ======================= Grid point 169 (50/462) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 15.386 -0.000 32.715) 36.153 1.118 ( -17.413 0.000 53.151) 55.931 1.618 ( -41.312 0.000 77.288) 87.636 2.933 ( 2.737 -0.000 4.694) 5.434 4.648 ( 9.620 -0.000 2.291) 9.889 5.894 ( -4.649 0.000 -4.334) 6.356 6.947 ( 0.377 -0.000 -9.698) 9.705 7.462 ( -3.971 0.000 4.049) 5.672 9.741 ( 2.869 -0.000 -4.558) 5.386 10.306 ( -7.867 0.000 -9.824) 12.586 11.337 ( -2.222 0.000 6.786) 7.141 12.146 ( -0.095 0.000 -2.193) 2.196 12.524 ( -6.279 0.000 0.421) 6.293 12.837 ( 2.764 -0.000 -1.875) 3.340 12.936 ( -14.077 0.000 0.091) 14.077 13.449 ( 0.447 -0.000 -1.491) 1.556 13.774 ( -3.379 0.000 1.548) 3.716 13.836 ( 0.454 -0.000 -0.901) 1.009 ======================= Grid point 170 (51/462) ======================= q-point: ( 0.08 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 16.235 -7.394 27.252) 32.572 1.355 ( -13.117 -16.187 46.417) 50.879 2.220 ( -16.783 -53.579 53.892) 77.825 3.053 ( 1.499 -6.243 7.401) 9.798 4.808 ( 15.369 4.072 7.543) 17.598 5.781 ( -7.979 -1.965 -8.555) 11.863 6.887 ( 0.904 -2.364 -8.522) 8.890 7.410 ( -4.760 4.700 3.014) 7.337 9.687 ( 4.031 8.086 -6.921) 11.381 10.159 ( -2.986 3.882 -4.165) 6.429 11.394 ( -1.528 -4.458 6.134) 7.736 12.123 ( -0.945 -0.000 -2.905) 3.055 12.418 ( -9.365 -0.230 -0.915) 9.413 12.784 ( 2.504 5.373 3.728) 7.002 12.960 ( -2.753 -7.828 -1.252) 8.392 13.438 ( 0.429 0.678 -2.095) 2.243 13.766 ( -3.388 -3.683 0.316) 5.014 13.847 ( 1.020 -1.075 -0.470) 1.555 ======================= Grid point 171 (52/462) ======================= q-point: ( 0.15 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 16.318 -7.758 18.384) 25.776 1.880 ( -3.291 -32.811 29.349) 44.145 3.031 ( -5.108 -31.192 14.475) 34.765 3.358 ( -5.492 -36.824 28.979) 47.180 5.000 ( 14.708 6.894 13.172) 20.913 5.673 ( -4.333 -4.825 -9.666) 11.639 6.912 ( 3.927 -5.771 -11.159) 13.162 7.263 ( -6.496 9.097 3.987) 11.868 9.537 ( 4.602 13.399 -6.837) 15.731 10.030 ( -0.618 9.331 -2.380) 9.649 11.482 ( -0.761 -4.995 2.466) 5.622 12.078 ( -1.754 1.351 -3.205) 3.896 12.326 ( -7.661 -2.822 0.942) 8.219 12.784 ( 3.629 4.420 3.398) 6.652 13.016 ( -1.539 -5.506 -1.503) 5.911 13.410 ( 0.288 1.775 -2.676) 3.224 13.790 ( -3.734 -6.097 -0.773) 7.191 13.883 ( 1.557 -1.831 0.266) 2.418 ======================= Grid point 172 (53/462) ======================= q-point: ( 0.23 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 13.386 -1.920 11.702) 17.883 2.535 ( 1.677 -37.810 18.023) 41.919 3.289 ( 0.866 -10.037 4.927) 11.214 4.139 ( -8.683 -50.109 23.073) 55.845 5.100 ( -2.776 -0.937 6.335) 6.980 5.757 ( 12.994 -3.601 4.001) 14.065 6.896 ( 3.671 9.042 -10.953) 14.670 7.145 ( -6.307 -5.385 2.772) 8.744 9.352 ( 5.078 15.264 -5.485) 16.996 9.839 ( -0.826 15.795 -0.522) 15.825 11.536 ( 0.041 -3.120 -1.737) 3.571 11.993 ( -2.845 3.154 -3.370) 5.422 12.345 ( -4.551 -7.828 4.395) 10.065 12.789 ( 2.815 3.654 2.351) 5.177 13.053 ( -1.170 -3.640 -1.391) 4.068 13.356 ( -0.078 3.551 -2.840) 4.547 13.830 ( -3.840 -7.494 -1.592) 8.569 13.937 ( 1.969 -2.016 1.142) 3.040 ======================= Grid point 173 (54/462) ======================= q-point: ( 0.31 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 8.672 1.520 7.116) 11.320 3.168 ( 5.047 -29.894 11.228) 32.329 3.454 ( -0.563 -11.585 2.837) 11.941 4.710 ( -0.841 -19.403 10.352) 22.008 5.158 ( -13.620 -25.003 -0.149) 28.473 6.069 ( 15.273 -0.135 17.109) 22.935 6.673 ( -0.852 10.624 -5.366) 11.933 7.246 ( -2.062 -12.447 -2.055) 12.783 9.174 ( 5.362 14.431 -4.341) 15.996 9.565 ( -1.624 21.484 0.712) 21.557 11.557 ( 1.216 -1.917 -3.334) 4.034 11.891 ( -2.536 3.254 -2.733) 4.949 12.466 ( -2.945 -10.394 5.232) 12.003 12.783 ( 1.560 2.456 0.567) 2.964 13.069 ( -0.873 -1.753 -1.251) 2.324 13.271 ( -0.247 5.527 -2.427) 6.041 13.879 ( -3.488 -7.661 -1.688) 8.585 13.999 ( 2.069 -1.632 2.007) 3.312 ======================= Grid point 174 (55/462) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 5.150 3.005 3.915) 7.133 3.445 ( 2.694 -0.758 3.978) 4.864 3.801 ( 0.089 -30.258 2.629) 30.372 4.844 ( -1.901 -3.951 1.263) 4.563 5.442 ( -5.501 -24.072 4.447) 25.090 6.089 ( 1.901 22.008 3.595) 22.380 6.777 ( 2.535 -20.403 9.932) 22.833 7.356 ( -2.069 -7.559 -1.550) 7.989 9.030 ( 4.662 11.361 -3.045) 12.652 9.233 ( -1.798 22.498 -0.408) 22.573 11.581 ( 2.558 -1.337 -2.570) 3.865 11.812 ( -1.293 2.340 -1.531) 3.081 12.604 ( -3.015 -10.085 2.016) 10.717 12.768 ( 0.632 1.800 -0.630) 2.009 13.059 ( -0.981 -0.313 -2.439) 2.647 13.180 ( 0.935 6.098 0.284) 6.175 13.930 ( -2.948 -6.621 -0.969) 7.312 14.055 ( 1.816 -0.498 2.647) 3.248 ======================= Grid point 175 (56/462) ======================= q-point: ( 0.46 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 2.337 3.383 2.007) 4.575 3.477 ( 0.310 1.203 3.002) 3.248 4.123 ( -0.360 -15.013 -4.299) 15.621 4.888 ( -2.223 -2.410 5.059) 6.029 5.611 ( -13.242 -8.386 -0.840) 15.697 5.861 ( 11.079 14.720 3.596) 18.771 7.168 ( -2.998 -17.281 11.334) 20.882 7.356 ( -2.742 0.453 1.097) 2.988 8.881 ( -0.395 14.950 -0.402) 14.961 9.002 ( 2.509 3.112 -5.603) 6.883 11.616 ( 3.496 0.007 -1.033) 3.646 11.782 ( 0.472 0.353 0.097) 0.597 12.676 ( -2.885 -6.557 -5.136) 8.815 12.719 ( -1.338 4.173 -1.849) 4.756 13.053 ( -0.108 -3.248 -0.744) 3.334 13.140 ( 2.624 5.212 3.356) 6.732 13.973 ( -2.610 -4.877 -0.022) 5.532 14.089 ( 1.424 1.398 3.210) 3.779 ======================= Grid point 176 (57/462) ======================= q-point: (-0.46 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -0.878 3.449 1.436) 3.838 3.457 ( -1.556 3.384 1.157) 3.900 4.162 ( -1.111 2.058 -3.896) 4.544 4.805 ( -6.404 13.784 3.224) 15.538 5.546 ( -11.834 -16.705 -4.806) 21.028 5.911 ( 11.191 12.959 7.455) 18.675 7.052 ( -7.574 18.771 5.728) 21.036 7.510 ( -2.486 -9.545 8.004) 12.703 8.742 ( 1.746 0.313 -7.059) 7.278 9.056 ( 0.590 -11.209 -2.647) 11.532 11.649 ( 3.920 1.549 0.665) 4.267 11.816 ( 2.311 -1.694 1.452) 3.212 12.562 ( -1.804 8.195 -6.626) 10.692 12.700 ( -2.519 -5.682 -5.677) 8.418 13.128 ( 3.725 2.490 3.255) 5.538 13.136 ( 0.180 -3.535 1.764) 3.955 13.997 ( -2.609 -2.893 0.387) 3.915 14.095 ( 1.134 3.673 4.061) 5.592 ======================= Grid point 177 (58/462) ======================= q-point: (-0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -5.712 4.158 1.503) 7.223 3.348 ( -2.639 7.643 -2.827) 8.565 3.966 ( -6.610 25.366 9.475) 27.873 4.546 ( -7.920 0.054 -10.589) 13.223 5.583 ( 0.354 20.830 8.074) 22.343 5.785 ( -6.759 1.969 -1.363) 7.171 6.814 ( -2.269 7.448 6.435) 10.101 7.555 ( -2.897 4.766 6.975) 8.930 8.809 ( 4.048 -12.510 -10.855) 17.051 9.271 ( -0.681 -20.395 -0.267) 20.408 11.680 ( 3.907 2.639 2.353) 5.269 11.894 ( 3.462 -2.634 1.747) 4.688 12.377 ( -0.865 8.253 -6.875) 10.777 12.709 ( -2.217 -5.107 -4.881) 7.404 13.121 ( 4.114 5.899 2.484) 7.608 13.238 ( 0.159 -6.699 0.869) 6.757 13.992 ( -2.626 -0.762 0.018) 2.734 14.075 ( 0.831 5.508 5.201) 7.621 ======================= Grid point 178 (59/462) ======================= q-point: (-0.31 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -13.183 6.448 0.954) 14.706 3.167 ( -2.043 11.243 -1.945) 11.591 3.451 ( -13.968 36.619 9.243) 40.267 4.474 ( -6.945 -6.259 -6.765) 11.540 4.958 ( -8.742 55.225 8.492) 56.553 5.822 ( -3.470 -7.703 0.743) 8.481 6.866 ( 2.938 -5.722 3.043) 7.116 7.452 ( -3.445 9.584 6.495) 12.079 9.001 ( 5.378 -17.217 -11.078) 21.168 9.564 ( 0.051 -21.310 0.515) 21.316 11.682 ( 2.368 6.038 2.248) 6.865 11.995 ( 3.786 -3.882 1.627) 5.661 12.248 ( 1.943 4.637 -4.350) 6.648 12.718 ( -2.837 -4.476 -2.572) 5.890 13.100 ( 4.455 6.366 0.656) 7.798 13.329 ( 0.208 -5.647 -0.133) 5.652 13.957 ( -2.116 1.184 -0.266) 2.439 14.036 ( 0.067 6.400 5.648) 8.536 ======================= Grid point 179 (60/462) ======================= q-point: (-0.23 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -22.257 10.195 -0.658) 24.490 2.736 ( -20.952 40.856 15.391) 48.426 3.049 ( 3.431 8.689 -6.920) 11.626 3.928 ( -17.717 67.477 23.976) 73.769 4.566 ( -7.179 -10.536 -10.779) 16.696 5.884 ( 1.724 -1.116 3.023) 3.654 6.991 ( 4.782 -2.607 -3.733) 6.603 7.350 ( -5.219 2.884 8.959) 10.762 9.246 ( 6.865 -17.760 -10.426) 21.709 9.845 ( 1.468 -16.943 0.724) 17.022 11.595 ( 0.361 9.671 0.658) 9.700 12.100 ( 2.229 -3.010 1.192) 3.930 12.258 ( 5.866 -1.690 0.432) 6.120 12.726 ( -4.343 -4.128 0.053) 5.992 13.066 ( 5.645 6.974 -1.028) 9.031 13.395 ( 0.322 -4.011 -0.922) 4.128 13.911 ( -1.318 2.072 -0.167) 2.461 13.978 ( -0.981 6.657 5.061) 8.420 ======================= Grid point 180 (61/462) ======================= q-point: (-0.15 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -29.027 13.952 -1.661) 32.249 1.983 ( -24.182 42.615 16.758) 51.784 2.919 ( -24.143 64.000 38.880) 78.680 2.981 ( 4.394 10.944 -1.382) 11.874 4.564 ( -5.908 -8.806 -7.075) 12.748 5.935 ( 2.797 1.024 2.624) 3.969 6.972 ( 3.753 5.451 -5.994) 8.929 7.394 ( -4.252 -6.505 8.174) 11.278 9.496 ( 7.996 -14.866 -10.375) 19.814 10.078 ( 3.335 -11.825 1.446) 12.371 11.462 ( -0.687 9.468 1.605) 9.628 12.144 ( 1.480 -0.590 -0.472) 1.662 12.411 ( 6.261 -4.965 4.244) 9.048 12.725 ( -6.274 -4.320 1.670) 7.799 13.044 ( 8.678 7.058 -1.170) 11.247 13.434 ( 0.411 -2.142 -1.297) 2.538 13.869 ( -0.659 2.183 0.200) 2.289 13.903 ( -1.903 5.678 3.640) 7.008 ======================= Grid point 181 (62/462) ======================= q-point: (-0.08 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -22.603 15.899 9.607) 29.257 1.291 ( -25.771 33.505 35.472) 55.182 2.049 ( -36.814 51.371 61.948) 88.497 2.948 ( 6.250 7.439 -1.700) 9.863 4.571 ( -1.051 -4.000 -2.759) 4.972 5.948 ( -0.130 1.131 -0.210) 1.158 6.929 ( 4.150 0.484 -3.856) 5.686 7.471 ( -2.980 -3.065 4.274) 6.045 9.680 ( 6.239 -8.140 -9.121) 13.725 10.287 ( 5.357 -9.917 -1.659) 11.393 11.360 ( -1.721 5.647 4.557) 7.458 12.156 ( 1.088 0.075 -1.611) 1.945 12.543 ( 1.014 -1.126 3.816) 4.106 12.745 ( -3.414 -7.575 1.697) 8.480 13.072 ( 9.376 5.184 -2.294) 10.957 13.450 ( 0.471 -0.689 -1.294) 1.540 13.824 ( -2.525 3.670 3.037) 5.391 13.848 ( -0.319 1.133 -0.716) 1.377 ======================= Grid point 183 (63/462) ======================= q-point: ( 0.08 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -0.958 0.000 37.459) 37.471 1.543 ( -5.791 0.000 44.191) 44.568 2.077 ( -0.221 0.000 49.465) 49.466 3.094 ( 1.434 -0.000 10.990) 11.083 5.136 ( 21.406 -0.000 12.833) 24.958 5.571 ( -10.738 0.000 -12.958) 16.829 6.812 ( 1.055 -0.000 -9.661) 9.718 7.410 ( -4.746 0.000 2.992) 5.611 9.752 ( 3.293 -0.000 -4.592) 5.650 10.132 ( 1.149 -0.000 -6.737) 6.834 11.400 ( -1.292 0.000 8.591) 8.688 12.088 ( -1.100 0.000 -3.165) 3.350 12.293 ( -8.888 0.000 -1.847) 9.078 12.879 ( 0.426 -0.000 3.811) 3.835 12.897 ( 3.129 -0.000 0.165) 3.133 13.429 ( 0.017 -0.000 -2.629) 2.630 13.698 ( -3.497 0.000 -0.460) 3.527 13.854 ( 1.675 -0.000 -0.050) 1.676 ======================= Grid point 184 (64/462) ======================= q-point: ( 0.15 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 1.243 -12.630 33.287) 35.624 1.936 ( 7.831 -11.468 26.677) 30.074 2.592 ( -5.930 -30.213 34.259) 46.062 3.245 ( 0.661 -7.582 15.603) 17.360 5.262 ( -4.719 7.803 -7.504) 11.809 5.591 ( 17.457 -7.110 9.662) 21.181 6.793 ( 2.442 -4.606 -10.968) 12.144 7.321 ( -6.618 6.001 3.148) 9.473 9.702 ( 4.084 8.251 -5.281) 10.613 10.086 ( 1.623 2.971 -6.496) 7.325 11.465 ( -0.065 -1.736 7.272) 7.477 12.050 ( -1.285 0.696 -3.277) 3.588 12.191 ( -7.892 -2.619 -0.826) 8.356 12.891 ( 2.179 2.690 2.303) 4.158 12.960 ( 1.916 -2.480 0.617) 3.194 13.402 ( -0.432 0.483 -3.361) 3.423 13.671 ( -3.928 -3.237 -1.080) 5.203 13.889 ( 2.301 -1.123 0.740) 2.665 ======================= Grid point 185 (65/462) ======================= q-point: ( 0.23 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 13.810 -15.967 12.658) 24.614 2.321 ( 5.037 -11.818 23.365) 26.664 3.116 ( -4.871 -25.765 14.693) 30.058 3.603 ( -4.865 -30.444 24.704) 39.507 5.017 ( -8.851 2.625 -13.067) 15.999 6.002 ( 19.724 -3.116 16.997) 26.223 6.840 ( 4.199 -7.433 -12.922) 15.487 7.136 ( -9.236 9.756 4.837) 14.278 9.570 ( 4.870 12.696 -5.569) 14.694 9.984 ( 0.238 8.335 -4.318) 9.390 11.530 ( 2.111 -0.438 3.214) 3.870 11.975 ( -2.943 2.611 -3.115) 5.018 12.193 ( -5.046 -8.193 2.050) 9.838 12.881 ( 1.527 3.867 1.349) 4.371 13.017 ( 1.757 -1.872 0.381) 2.596 13.361 ( -0.452 1.148 -3.463) 3.676 13.674 ( -4.252 -5.845 -1.649) 7.413 13.949 ( 2.870 -1.726 1.669) 3.742 ======================= Grid point 186 (66/462) ======================= q-point: ( 0.31 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 12.402 6.277 6.031) 15.152 2.873 ( 5.432 -31.650 15.885) 35.827 3.382 ( 0.147 -8.306 6.962) 10.839 4.253 ( -7.153 -46.382 21.275) 51.528 4.822 ( -8.019 -2.949 -12.561) 15.191 6.366 ( 13.202 -2.619 17.730) 22.260 6.770 ( -2.740 13.137 -7.806) 15.525 7.044 ( -3.215 -9.494 0.266) 10.027 9.405 ( 5.174 14.194 -5.384) 16.039 9.794 ( -1.710 14.893 -2.006) 15.125 11.579 ( 4.788 0.949 0.436) 4.901 11.885 ( -2.509 2.644 -2.024) 4.169 12.293 ( -4.412 -11.198 2.552) 12.304 12.845 ( 0.876 4.013 0.376) 4.124 13.052 ( 0.838 -0.656 -0.969) 1.439 13.314 ( 0.616 2.836 -1.884) 3.460 13.708 ( -4.072 -8.085 -1.755) 9.221 14.025 ( 3.196 -1.520 2.559) 4.367 ======================= Grid point 187 (67/462) ======================= q-point: ( 0.38 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 8.452 8.907 4.768) 13.172 3.434 ( 0.371 -22.744 2.913) 22.933 3.510 ( 6.673 -7.866 9.296) 13.886 4.715 ( -3.785 -6.307 -10.413) 12.749 4.936 ( -7.588 -41.697 15.407) 45.095 6.428 ( -3.914 21.283 -1.538) 21.694 6.664 ( 2.214 -9.954 14.187) 17.472 7.179 ( -0.323 -11.779 -2.813) 12.115 9.235 ( 4.925 13.629 -5.346) 15.446 9.503 ( -3.754 20.862 -0.577) 21.205 11.635 ( 6.895 1.470 0.193) 7.052 11.820 ( -1.105 2.039 -0.649) 2.409 12.406 ( -4.556 -11.473 -0.599) 12.359 12.806 ( 0.499 3.120 0.209) 3.167 13.033 ( -0.841 0.554 -3.926) 4.053 13.285 ( 3.066 4.241 1.667) 5.493 13.770 ( -3.600 -8.945 -1.182) 9.715 14.099 ( 3.053 -0.522 3.193) 4.448 ======================= Grid point 188 (68/462) ======================= q-point: ( 0.46 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 5.933 9.932 4.186) 12.303 3.502 ( -2.160 -0.883 3.784) 4.446 3.918 ( 8.949 -16.316 -2.333) 18.755 4.735 ( -5.078 -14.784 -5.081) 16.437 5.359 ( -9.122 -12.909 10.592) 19.027 6.135 ( 0.993 10.984 -0.560) 11.043 6.938 ( -4.272 -17.749 13.540) 22.730 7.281 ( -1.843 -6.079 -1.942) 6.643 9.081 ( 4.042 10.472 -6.038) 12.746 9.136 ( -5.124 22.685 -0.340) 23.259 11.704 ( 7.329 2.170 0.933) 7.700 11.799 ( 0.920 0.610 1.011) 1.497 12.484 ( -3.248 -9.687 -5.005) 11.377 12.748 ( -1.378 4.792 -2.613) 5.629 13.001 ( -0.536 -2.047 -2.339) 3.154 13.289 ( 4.713 5.191 3.830) 7.989 13.843 ( -3.222 -8.050 -0.366) 8.678 14.154 ( 2.450 0.913 3.559) 4.416 ======================= Grid point 189 (69/462) ======================= q-point: (-0.46 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 3.272 11.046 4.713) 12.447 3.491 ( -2.645 2.307 3.257) 4.788 4.082 ( 4.725 -5.384 -12.720) 14.599 4.945 ( 0.898 -11.754 5.239) 12.900 5.171 ( -17.397 8.641 0.631) 19.435 6.176 ( 6.832 0.527 4.567) 8.235 7.179 ( -5.835 -0.261 6.989) 9.108 7.294 ( -6.214 -13.920 5.825) 16.319 8.798 ( -3.823 13.596 -3.779) 14.620 8.983 ( 2.388 2.951 -4.935) 6.226 11.757 ( 5.446 2.522 1.707) 6.240 11.845 ( 4.065 -0.578 2.459) 4.786 12.534 ( -1.156 -7.698 -6.737) 10.295 12.603 ( -1.935 7.511 -6.603) 10.187 13.048 ( -0.811 -5.871 0.551) 5.952 13.300 ( 5.275 6.294 3.933) 9.106 13.902 ( -2.978 -5.929 0.212) 6.638 14.181 ( 1.607 2.395 3.847) 4.808 ======================= Grid point 190 (70/462) ======================= q-point: (-0.38 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -1.159 13.296 5.336) 14.373 3.406 ( -2.450 6.516 -0.959) 7.027 4.098 ( 0.830 -4.988 -9.586) 10.838 4.581 ( -13.799 31.565 2.454) 34.537 5.356 ( 0.603 -24.322 1.041) 24.351 6.168 ( 1.887 18.553 5.740) 19.512 6.950 ( -7.601 16.144 6.198) 18.890 7.515 ( -5.724 -12.134 8.326) 15.790 8.663 ( 0.912 -2.899 -7.774) 8.347 9.024 ( 0.290 -11.219 -2.698) 11.543 11.801 ( 4.861 2.634 3.095) 6.336 11.927 ( 4.520 -0.891 2.047) 5.041 12.427 ( -0.907 7.358 -7.445) 10.507 12.578 ( 0.135 -5.630 -5.723) 8.029 13.133 ( -1.297 -7.320 0.611) 7.459 13.295 ( 5.114 7.044 2.804) 9.145 13.934 ( -2.671 -3.285 0.399) 4.252 14.181 ( 0.712 3.792 4.111) 5.637 ======================= Grid point 191 (71/462) ======================= q-point: (-0.31 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -8.088 17.052 4.559) 19.415 3.267 ( 0.116 7.773 -3.828) 8.665 3.896 ( -11.458 39.995 8.961) 42.558 4.184 ( -5.611 -11.543 -10.952) 16.872 5.645 ( -4.486 6.961 6.057) 10.260 5.732 ( 2.811 28.340 4.795) 28.880 6.809 ( -6.071 -2.558 4.932) 8.230 7.556 ( -3.872 3.989 5.962) 8.152 8.768 ( 5.023 -14.422 -9.843) 18.169 9.254 ( -0.583 -22.129 0.437) 22.141 11.822 ( 3.103 5.860 2.703) 7.160 12.007 ( 3.893 -2.288 0.597) 4.555 12.305 ( 2.168 4.194 -4.774) 6.715 12.611 ( -0.739 -4.122 -3.204) 5.273 13.217 ( -0.010 -4.857 -0.142) 4.859 13.274 ( 3.724 4.713 1.003) 6.090 13.935 ( -2.095 -0.834 0.344) 2.282 14.151 ( -0.218 5.166 4.111) 6.606 ======================= Grid point 192 (72/462) ======================= q-point: (-0.23 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -14.210 21.284 3.349) 25.809 3.154 ( 0.020 12.647 -7.779) 14.848 3.210 ( -11.236 38.296 13.680) 42.190 4.254 ( -3.007 -11.876 -4.541) 13.066 4.864 ( -11.929 64.929 18.406) 68.534 5.891 ( 5.804 -5.242 -0.173) 7.823 6.880 ( -3.715 -11.858 0.065) 12.427 7.440 ( -3.686 9.814 4.919) 11.580 9.010 ( 7.497 -18.548 -10.172) 22.443 9.580 ( -0.341 -23.148 1.879) 23.226 11.741 ( 0.801 9.570 -0.279) 9.608 12.092 ( 2.674 -3.019 0.100) 4.034 12.311 ( 5.103 -1.028 0.001) 5.206 12.625 ( -3.038 -2.872 -0.484) 4.209 13.219 ( 4.830 5.940 -1.029) 7.724 13.318 ( -0.287 -5.840 -0.714) 5.890 13.915 ( -1.280 0.852 0.199) 1.551 14.089 ( -1.230 6.454 3.609) 7.496 ======================= Grid point 193 (73/462) ======================= q-point: (-0.15 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -11.858 24.186 6.723) 27.763 2.452 ( -15.979 45.513 11.972) 49.700 3.126 ( 4.869 6.303 -0.417) 7.976 3.916 ( -14.261 71.710 30.257) 79.128 4.372 ( 0.540 -9.927 -0.703) 9.967 5.968 ( 1.552 -0.309 -1.341) 2.074 6.985 ( 1.621 -5.882 -7.196) 9.435 7.324 ( -5.940 1.834 7.345) 9.623 9.294 ( 8.561 -18.172 -11.345) 23.070 9.885 ( -0.536 -19.224 1.883) 19.324 11.602 ( -0.049 10.072 -0.268) 10.075 12.139 ( 0.909 -1.378 -1.372) 2.147 12.443 ( 5.821 -5.677 3.337) 8.789 12.603 ( -6.252 -1.709 0.983) 6.555 13.192 ( 4.576 4.438 -3.032) 7.059 13.384 ( 0.297 -4.429 -1.239) 4.608 13.887 ( -0.428 1.626 -0.041) 1.682 13.994 ( -2.366 7.135 2.609) 7.957 ======================= Grid point 194 (74/462) ======================= q-point: (-0.08 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 7.510 18.649 19.873) 28.268 1.755 ( -17.274 42.023 25.213) 51.962 2.961 ( -14.026 58.862 30.623) 67.818 3.116 ( -0.224 17.601 12.514) 21.597 4.548 ( 7.894 -6.764 4.034) 11.151 5.925 ( -3.762 1.578 -4.331) 5.950 6.960 ( 3.244 3.653 -8.098) 9.458 7.359 ( -6.080 -8.186 4.806) 11.272 9.535 ( 6.932 -13.969 -11.787) 19.548 10.102 ( -2.859 -13.337 -0.574) 13.652 11.472 ( -0.889 8.442 2.274) 8.788 12.144 ( -0.090 -0.711 -2.404) 2.509 12.530 ( -8.092 -0.011 0.459) 8.105 12.626 ( 3.705 -7.460 4.324) 9.385 13.130 ( -1.320 5.042 -5.807) 7.803 13.426 ( 0.594 -2.216 -1.646) 2.824 13.861 ( 0.172 1.888 -0.290) 1.918 13.876 ( -3.272 6.210 1.246) 7.129 ======================= Grid point 197 (75/462) ======================= q-point: ( 0.15 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 4.722 -0.000 32.817) 33.155 1.988 ( -2.087 0.000 31.693) 31.762 2.629 ( 2.292 -0.000 24.218) 24.327 3.318 ( 1.462 -0.000 16.878) 16.941 5.072 ( -10.307 0.000 -19.986) 22.487 5.948 ( 21.559 -0.000 20.879) 30.012 6.712 ( 3.028 -0.000 -11.385) 11.781 7.296 ( -8.494 0.000 3.642) 9.242 9.775 ( 3.990 -0.000 -4.855) 6.284 10.075 ( 2.680 -0.000 -9.288) 9.667 11.522 ( 0.831 -0.000 9.841) 9.876 12.026 ( -0.227 0.000 -3.110) 3.118 12.062 ( -7.728 0.000 -1.588) 7.890 12.942 ( 1.720 -0.000 1.055) 2.017 12.987 ( 3.199 -0.000 0.891) 3.321 13.371 ( -1.001 0.000 -3.612) 3.748 13.591 ( -4.292 0.000 -1.229) 4.464 13.922 ( 3.136 -0.000 1.681) 3.558 ======================= Grid point 198 (76/462) ======================= q-point: ( 0.23 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 6.867 -11.377 24.695) 28.043 2.414 ( 7.055 -18.001 18.561) 26.802 2.840 ( -4.821 -11.083 20.977) 24.210 3.517 ( 1.797 -7.206 19.445) 20.815 4.803 ( -8.735 0.217 -21.072) 22.812 6.310 ( 11.897 -1.104 17.874) 21.500 6.727 ( 6.754 -4.689 -9.280) 12.398 7.165 ( -10.377 6.153 4.703) 12.948 9.733 ( 4.593 7.864 -5.590) 10.686 10.023 ( 1.501 2.636 -8.450) 8.978 11.604 ( 2.500 0.472 8.101) 8.491 11.949 ( -3.609 1.938 -1.988) 4.553 12.048 ( -2.677 -5.579 -0.810) 6.241 12.951 ( 1.620 2.535 0.414) 3.036 13.029 ( 2.101 -0.651 -0.624) 2.286 13.339 ( -0.080 -0.166 -2.668) 2.675 13.548 ( -4.644 -2.985 -1.431) 5.703 13.988 ( 4.031 -0.843 2.809) 4.985 ======================= Grid point 199 (77/462) ======================= q-point: ( 0.31 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 2.528 -20.906 18.864) 28.272 2.708 ( 18.736 3.263 1.558) 19.081 3.201 ( -6.943 -27.498 18.883) 34.072 3.841 ( -1.253 -20.788 21.219) 29.731 4.585 ( -6.561 -3.121 -19.529) 20.837 6.498 ( 0.095 -3.769 7.290) 8.207 6.858 ( 9.513 -0.728 -2.532) 9.871 6.960 ( -11.066 6.490 6.960) 14.595 9.609 ( 5.055 12.045 -6.617) 14.643 9.908 ( -0.902 7.972 -5.350) 9.643 11.680 ( 4.883 1.142 4.127) 6.494 11.883 ( -0.958 2.324 -0.462) 2.556 12.109 ( -4.016 -8.782 0.383) 9.664 12.920 ( 1.214 4.443 0.104) 4.607 13.035 ( -0.131 -0.450 -3.630) 3.660 13.346 ( 2.533 0.138 -0.023) 2.537 13.543 ( -4.524 -6.165 -1.421) 7.778 14.077 ( 4.658 -0.785 3.737) 6.023 ======================= Grid point 200 (78/462) ======================= q-point: ( 0.38 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 8.026 9.643 5.536) 13.714 3.181 ( 6.936 -21.661 4.082) 23.108 3.545 ( 3.496 -11.547 13.303) 17.959 4.368 ( -8.796 -29.682 14.314) 34.107 4.482 ( -1.106 -18.100 -11.536) 21.492 6.488 ( -8.286 5.267 -0.735) 9.846 6.760 ( -4.583 4.820 11.955) 13.680 7.034 ( 2.446 -7.479 -1.164) 7.955 9.441 ( 4.969 13.651 -7.802) 16.490 9.698 ( -3.472 15.044 -1.808) 15.545 11.749 ( 4.973 0.566 1.171) 5.140 11.856 ( 2.937 3.568 1.579) 4.883 12.188 ( -4.745 -10.562 -0.854) 11.610 12.869 ( 0.702 4.667 0.074) 4.720 12.991 ( -1.254 0.180 -5.826) 5.962 13.387 ( 4.481 1.570 2.225) 5.243 13.590 ( -3.907 -9.040 -0.879) 9.887 14.166 ( 4.566 0.256 4.084) 6.131 ======================= Grid point 201 (79/462) ======================= q-point: ( 0.46 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 7.700 11.651 5.503) 15.011 3.427 ( -1.490 -8.290 2.082) 8.677 3.895 ( 14.078 -10.128 4.649) 17.956 4.356 ( -11.253 -14.137 -9.952) 20.628 5.068 ( -0.934 -35.346 13.209) 37.745 6.221 ( -8.304 12.002 -0.317) 14.598 6.806 ( -7.696 -6.000 13.728) 16.843 7.142 ( -0.249 -8.943 -3.767) 9.707 9.241 ( 3.588 14.306 -10.610) 18.169 9.393 ( -4.605 20.910 2.336) 21.539 11.785 ( 1.007 -0.013 0.492) 1.120 11.892 ( 8.149 3.454 2.488) 9.194 12.274 ( -2.800 -10.605 -3.028) 11.379 12.788 ( -1.011 6.019 -3.050) 6.823 12.951 ( -0.433 -1.362 -3.459) 3.742 13.435 ( 5.312 3.040 3.223) 6.917 13.676 ( -3.350 -9.779 -0.079) 10.337 14.232 ( 3.633 1.656 3.826) 5.530 ======================= Grid point 202 (80/462) ======================= q-point: (-0.46 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 7.280 14.562 6.980) 17.713 3.483 ( -3.612 -1.905 4.213) 5.867 3.985 ( 0.721 0.391 -16.803) 16.823 4.596 ( 1.970 -28.292 3.544) 28.581 5.323 ( -5.767 9.981 9.424) 14.889 6.140 ( -0.746 -11.155 0.416) 11.187 6.922 ( -12.487 -16.274 14.312) 25.012 7.217 ( -1.155 -4.819 -1.963) 5.330 8.940 ( -3.282 18.891 -7.819) 20.707 9.123 ( 1.192 15.122 -0.539) 15.179 11.807 ( 0.722 -1.315 1.154) 1.893 11.968 ( 8.092 2.985 2.309) 8.929 12.367 ( -0.372 -8.772 -4.452) 9.844 12.649 ( -0.194 7.376 -5.882) 9.436 12.965 ( -1.327 -3.939 -0.608) 4.200 13.470 ( 5.395 4.833 3.059) 7.863 13.767 ( -3.000 -8.536 0.596) 9.067 14.262 ( 2.190 2.668 3.344) 4.806 ======================= Grid point 203 (81/462) ======================= q-point: (-0.38 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 4.091 19.777 8.189) 21.793 3.439 ( -4.310 3.917 0.716) 5.868 3.880 ( -3.979 -7.722 -15.176) 17.486 4.907 ( -7.244 20.930 4.990) 22.703 5.118 ( 7.883 -14.164 4.227) 16.752 6.270 ( -3.030 -4.083 0.995) 5.180 7.123 ( -5.083 3.220 5.141) 7.914 7.225 ( -8.351 -17.685 10.735) 22.310 8.647 ( -2.060 8.598 -5.335) 10.326 8.978 ( 2.154 5.769 -3.904) 7.291 11.859 ( 1.556 -2.548 1.846) 3.511 12.027 ( 5.884 3.159 1.534) 6.853 12.401 ( -1.775 -1.353 -6.405) 6.783 12.551 ( 4.669 2.995 -4.274) 7.003 13.014 ( -2.464 -6.634 0.386) 7.088 13.470 ( 4.717 6.695 1.886) 8.405 13.841 ( -2.582 -6.135 0.994) 6.730 14.260 ( 0.710 3.238 2.976) 4.455 ======================= Grid point 204 (82/462) ======================= q-point: (-0.31 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -2.662 25.456 6.644) 26.443 3.323 ( -1.020 4.701 -3.894) 6.189 3.903 ( -3.285 -11.597 -6.457) 13.673 4.381 ( -7.915 38.591 6.741) 39.966 5.539 ( 10.974 -18.357 0.992) 21.410 6.167 ( -6.680 13.490 2.867) 15.324 6.839 ( -8.757 20.280 6.696) 23.082 7.493 ( -5.237 -13.774 8.103) 16.817 8.612 ( 3.218 -7.011 -5.845) 9.679 9.002 ( 0.744 -11.014 -2.328) 11.282 11.919 ( 1.288 0.327 1.816) 2.251 12.041 ( 3.154 1.886 -1.399) 3.932 12.334 ( 0.903 1.761 -3.976) 4.441 12.577 ( 3.908 0.023 -2.155) 4.463 13.094 ( -2.017 -8.453 0.377) 8.699 13.427 ( 3.467 7.620 0.167) 8.373 13.886 ( -1.899 -3.370 1.081) 4.016 14.232 ( -0.548 3.967 2.639) 4.797 ======================= Grid point 205 (83/462) ======================= q-point: (-0.23 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -5.979 27.775 5.483) 28.936 3.236 ( 1.489 5.644 -4.669) 7.474 3.734 ( -7.287 39.547 8.508) 41.103 4.069 ( 0.971 -9.152 0.808) 9.239 5.656 ( -6.944 41.673 15.707) 45.073 5.902 ( 8.631 -1.701 -4.205) 9.750 6.638 ( -10.365 -6.674 1.591) 12.430 7.541 ( -3.291 4.234 4.014) 6.698 8.791 ( 6.510 -15.594 -7.517) 18.495 9.252 ( -0.740 -23.430 1.310) 23.478 11.858 ( -0.172 7.601 -2.268) 7.934 12.075 ( 1.574 -2.927 -1.675) 3.721 12.343 ( 2.610 -1.114 0.993) 3.006 12.595 ( 1.182 0.843 -0.237) 1.471 13.198 ( -0.457 -8.258 -0.182) 8.272 13.354 ( 1.928 6.845 -1.600) 7.289 13.904 ( -1.005 -0.922 0.908) 1.638 14.171 ( -1.658 5.264 2.015) 5.876 ======================= Grid point 206 (84/462) ======================= q-point: (-0.15 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -0.114 25.077 9.316) 26.751 2.957 ( -6.455 35.505 2.586) 36.179 3.310 ( 1.405 16.143 6.084) 17.309 4.276 ( 5.231 -9.758 4.462) 11.937 4.929 ( -7.167 62.863 25.236) 68.118 5.952 ( -0.576 0.219 -4.791) 4.831 6.750 ( -2.073 -18.229 -4.211) 18.823 7.407 ( -3.481 10.418 2.318) 11.226 9.059 ( 6.841 -18.365 -8.706) 21.444 9.587 ( -1.439 -23.491 2.232) 23.641 11.719 ( -0.546 8.518 -3.150) 9.098 12.103 ( -0.632 -2.385 -2.610) 3.592 12.422 ( 0.099 -3.868 3.715) 5.364 12.587 ( 1.003 1.643 1.350) 2.351 13.259 ( 0.336 4.681 -3.491) 5.849 13.305 ( 0.160 -5.988 -0.690) 6.030 13.903 ( -0.068 0.809 0.571) 0.993 14.072 ( -2.758 6.806 1.005) 7.412 ======================= Grid point 207 (85/462) ======================= q-point: (-0.08 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 12.033 14.946 16.342) 25.204 2.354 ( -6.751 43.966 15.052) 46.959 3.210 ( 1.478 9.025 2.292) 9.428 4.026 ( -10.897 60.377 27.639) 67.291 4.652 ( 13.179 -2.044 14.890) 19.990 5.848 ( -5.742 2.007 -7.566) 9.707 6.929 ( 4.251 -9.192 -9.737) 14.049 7.255 ( -6.326 3.467 4.168) 8.331 9.321 ( 5.612 -16.824 -8.756) 19.779 9.866 ( -1.743 -17.420 0.785) 17.525 11.579 ( -0.921 7.572 -1.453) 7.765 12.098 ( -1.620 -1.968 -3.049) 3.975 12.429 ( -6.734 0.438 2.679) 7.261 12.650 ( 4.871 -2.984 3.297) 6.595 13.146 ( -2.497 5.503 -3.887) 7.185 13.378 ( 0.648 -4.192 -1.690) 4.566 13.892 ( 0.760 1.747 0.194) 1.915 13.935 ( -3.506 7.481 0.007) 8.262 ======================= Grid point 211 (86/462) ======================= q-point: ( 0.23 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -2.765 0.000 20.882) 21.064 2.489 ( 7.021 -0.000 29.461) 30.286 2.912 ( 3.987 -0.000 8.341) 9.245 3.651 ( 4.312 -0.000 20.171) 20.626 4.543 ( -7.716 0.000 -23.140) 24.392 6.432 ( -0.607 0.000 2.915) 2.978 6.804 ( 10.900 -0.000 4.749) 11.889 7.110 ( -11.524 0.000 5.621) 12.822 9.808 ( 4.288 -0.000 -5.148) 6.700 9.991 ( 2.082 -0.000 -11.102) 11.295 11.690 ( -0.484 0.000 10.283) 10.294 11.924 ( -0.400 0.000 0.165) 0.432 11.979 ( -0.647 0.000 -3.216) 3.281 12.993 ( 1.955 -0.000 -0.232) 1.969 13.024 ( 0.183 -0.000 -3.886) 3.891 13.336 ( 1.895 -0.000 -0.149) 1.901 13.459 ( -4.961 0.000 -1.269) 5.121 14.065 ( 5.451 -0.000 4.144) 6.847 ======================= Grid point 212 (87/462) ======================= q-point: ( 0.31 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -0.366 -18.854 14.372) 23.710 2.882 ( -4.646 -20.115 32.562) 38.555 3.003 ( 14.286 4.022 -1.918) 14.965 3.861 ( 3.642 -3.679 16.165) 16.973 4.326 ( -5.208 -2.310 -18.830) 19.673 6.430 ( -2.640 -3.453 -1.742) 4.683 6.937 ( -1.595 1.339 6.869) 7.178 6.980 ( -6.580 3.488 6.058) 9.600 9.761 ( 4.658 8.091 -7.135) 11.751 9.927 ( 0.753 2.194 -8.542) 8.851 11.736 ( -2.105 -1.003 7.028) 7.404 11.949 ( 3.259 1.266 0.736) 3.573 11.974 ( -0.514 -3.121 -0.667) 3.232 12.978 ( -0.003 1.014 -4.856) 4.961 12.998 ( 0.671 1.579 -1.739) 2.443 13.380 ( 2.846 -0.977 0.968) 3.161 13.415 ( -3.950 -3.146 -0.490) 5.073 14.172 ( 6.536 0.116 5.009) 8.236 ======================= Grid point 213 (88/462) ======================= q-point: ( 0.38 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -2.264 -10.421 11.057) 15.361 3.109 ( 7.094 -8.907 0.268) 11.390 3.421 ( 7.031 -22.483 19.403) 30.519 4.077 ( -1.498 -19.453 -2.339) 19.650 4.231 ( -0.970 0.232 1.127) 1.505 6.431 ( -4.426 -1.739 0.206) 4.760 6.789 ( -10.460 5.158 7.895) 14.084 6.992 ( -3.093 -1.278 1.076) 3.516 9.617 ( 4.884 11.991 -10.294) 16.541 9.813 ( -1.337 8.389 -3.038) 9.022 11.771 ( -0.661 -1.094 2.644) 2.937 11.962 ( -1.714 -3.487 -0.964) 4.004 12.044 ( 4.915 -0.411 3.447) 6.017 12.933 ( -0.574 -0.376 -6.466) 6.502 12.947 ( 0.831 5.179 -0.756) 5.300 13.421 ( -3.658 -7.224 -0.527) 8.115 13.463 ( 3.924 -0.828 2.215) 4.582 14.278 ( 6.504 1.491 4.859) 8.255 ======================= Grid point 214 (89/462) ======================= q-point: ( 0.46 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 1.920 1.775 8.109) 8.520 3.324 ( 3.494 -8.814 -0.348) 9.487 3.904 ( 6.777 -20.149 7.714) 22.614 4.083 ( -1.372 1.824 -9.890) 10.150 4.595 ( -1.239 -38.151 14.136) 40.704 6.302 ( -7.732 11.382 3.755) 14.263 6.730 ( -9.393 -2.704 11.200) 14.866 6.969 ( -4.613 -7.312 -6.131) 10.598 9.408 ( 4.040 14.675 -12.755) 19.859 9.618 ( -2.490 15.470 1.889) 15.782 11.775 ( -1.938 -0.867 0.014) 2.123 12.011 ( 2.826 -3.779 -1.659) 5.002 12.144 ( 3.612 -2.545 4.357) 6.205 12.839 ( -0.528 5.729 -4.618) 7.378 12.916 ( 0.617 0.287 -2.570) 2.658 13.498 ( -3.459 -9.713 0.833) 10.344 13.537 ( 4.504 -0.061 2.029) 4.940 14.347 ( 5.155 3.366 3.776) 7.222 ======================= Grid point 215 (90/462) ======================= q-point: (-0.46 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 6.942 7.366 8.637) 13.306 3.428 ( -0.844 -4.206 1.752) 4.634 3.833 ( -10.809 3.551 -13.263) 17.474 4.401 ( 14.987 -19.291 4.951) 24.925 5.202 ( -2.112 -32.190 10.110) 33.807 6.062 ( -6.292 9.555 3.203) 11.880 6.704 ( -16.174 -4.976 12.560) 21.075 7.054 ( 0.119 -13.335 -5.065) 14.265 9.124 ( 1.467 18.831 -11.867) 22.307 9.372 ( -1.109 18.397 2.763) 18.637 11.772 ( -1.848 -3.001 -0.628) 3.580 12.090 ( 5.921 -0.738 -1.514) 6.156 12.256 ( 1.510 -5.002 2.521) 5.801 12.722 ( 1.614 6.873 -4.458) 8.349 12.905 ( -1.061 -1.150 -1.608) 2.243 13.592 ( 3.565 1.231 2.490) 4.520 13.608 ( -2.382 -9.604 0.829) 9.930 14.363 ( 2.994 4.509 2.427) 5.932 ======================= Grid point 216 (91/462) ======================= q-point: (-0.38 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( 8.009 19.339 10.041) 23.216 3.414 ( -7.556 2.756 0.236) 8.046 3.623 ( -4.966 -6.972 -10.819) 13.796 4.884 ( 13.469 -20.198 1.452) 24.321 5.306 ( -5.313 15.999 6.773) 18.168 6.076 ( -4.019 -12.910 -2.340) 13.722 6.766 ( -15.390 -23.379 14.674) 31.603 7.196 ( 0.333 -5.907 1.102) 6.018 8.788 ( 0.017 19.082 -7.250) 20.412 9.140 ( 1.047 15.600 -0.809) 15.656 11.811 ( -0.653 -5.335 -0.599) 5.408 12.138 ( 4.551 2.569 -0.757) 5.281 12.329 ( 0.287 -3.072 -1.913) 3.630 12.654 ( 5.451 5.210 -2.165) 7.846 12.906 ( -2.952 -3.881 -0.162) 4.879 13.606 ( 3.031 4.280 0.590) 5.278 13.718 ( -2.276 -8.563 2.023) 9.088 14.337 ( 0.804 4.360 1.508) 4.683 ======================= Grid point 217 (92/462) ======================= q-point: (-0.31 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -2.605 29.343 4.661) 29.825 3.318 ( -1.193 0.361 -2.548) 2.837 3.717 ( 2.147 -10.719 1.071) 10.984 4.844 ( -4.549 32.727 4.823) 33.392 5.410 ( 10.690 -21.812 0.425) 24.295 6.070 ( -9.539 -3.389 -4.009) 10.888 7.085 ( -4.657 -4.092 6.617) 9.068 7.205 ( -6.101 -10.276 11.599) 16.654 8.584 ( 2.006 4.281 -3.432) 5.842 8.977 ( 2.012 7.205 -3.588) 8.297 11.880 ( -0.468 -5.633 -0.999) 5.740 12.105 ( 1.151 4.905 -3.317) 6.032 12.347 ( 2.493 0.025 -0.850) 2.634 12.657 ( 4.935 3.667 -0.694) 6.187 12.956 ( -2.364 -7.889 1.171) 8.319 13.554 ( 1.278 6.602 -1.163) 6.825 13.812 ( -1.424 -5.977 2.112) 6.497 14.289 ( -0.846 3.804 1.122) 4.055 ======================= Grid point 218 (93/462) ======================= q-point: (-0.23 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -4.799 27.743 3.243) 28.341 3.290 ( 1.590 2.952 -2.004) 3.906 3.958 ( 8.209 -9.612 7.947) 14.931 4.316 ( -4.627 38.449 5.159) 39.068 5.808 ( 2.964 -16.907 2.770) 17.386 5.949 ( -4.564 0.754 -5.488) 7.177 6.755 ( -5.305 32.274 7.688) 33.599 7.475 ( -5.034 -13.123 6.926) 15.669 8.655 ( 4.690 -8.887 -2.504) 10.356 8.992 ( 1.020 -11.189 -2.174) 11.444 11.895 ( -1.706 1.483 -3.257) 3.965 12.032 ( -0.263 0.001 -4.842) 4.849 12.389 ( 3.566 0.558 3.064) 4.734 12.650 ( 1.984 3.032 0.691) 3.689 13.071 ( -0.266 -9.268 0.809) 9.307 13.445 ( -0.773 7.310 -2.741) 7.846 13.877 ( -0.477 -3.142 1.789) 3.647 14.224 ( -1.971 4.238 0.739) 4.732 ======================= Grid point 219 (94/462) ======================= q-point: (-0.15 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 0.344 21.459 6.417) 22.401 3.222 ( 1.367 9.794 -0.612) 9.908 3.759 ( -2.163 38.104 6.817) 38.770 4.291 ( 10.623 -9.139 10.824) 17.707 5.723 ( -5.888 25.375 13.846) 29.500 5.907 ( -4.562 11.231 -2.600) 12.398 6.498 ( 2.078 -6.145 -2.590) 6.985 7.497 ( -3.749 5.062 1.990) 6.606 8.860 ( 5.960 -14.198 -4.789) 16.126 9.253 ( -0.850 -23.672 1.588) 23.740 11.776 ( -1.767 6.311 -5.494) 8.552 12.018 ( -2.298 -3.446 -4.104) 5.831 12.447 ( 1.782 1.129 5.395) 5.793 12.645 ( 1.747 1.783 2.113) 3.271 13.199 ( 0.624 -8.214 -0.536) 8.255 13.305 ( -2.624 6.322 -3.569) 7.719 13.913 ( 0.428 -0.695 1.292) 1.528 14.128 ( -2.842 5.846 0.040) 6.500 ======================= Grid point 220 (95/462) ======================= q-point: (-0.08 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 8.166 10.783 10.654) 17.218 2.958 ( 0.262 34.083 8.144) 35.043 3.404 ( 0.572 15.766 4.141) 16.311 4.533 ( 3.836 7.056 10.751) 13.420 5.236 ( -0.566 44.789 26.745) 52.169 5.743 ( -3.723 -0.786 -7.199) 8.142 6.712 ( 3.782 -17.194 -6.652) 18.820 7.332 ( -3.588 11.340 -0.117) 11.894 9.107 ( 5.533 -16.100 -5.581) 17.915 9.580 ( -1.328 -22.417 1.772) 22.526 11.632 ( -1.507 5.615 -4.858) 7.576 12.006 ( -2.887 -3.452 -3.655) 5.797 12.443 ( -2.421 4.879 5.891) 8.023 12.692 ( 3.548 -1.484 2.613) 4.650 13.160 ( -3.077 5.069 -3.546) 6.909 13.302 ( 0.353 -6.160 -1.561) 6.364 13.927 ( 1.063 1.108 0.684) 1.681 13.995 ( -3.299 7.403 -0.564) 8.125 ======================= Grid point 225 (96/462) ======================= q-point: ( 0.31 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -4.415 0.000 14.876) 15.518 2.873 ( -12.403 0.000 30.184) 32.633 3.255 ( 23.931 -0.000 -2.825) 24.097 3.881 ( -3.573 0.000 -8.713) 9.417 4.249 ( 4.133 -0.000 6.506) 7.708 6.358 ( -1.995 0.000 -2.481) 3.184 6.913 ( -11.480 0.000 7.146) 13.522 6.971 ( -5.522 0.000 4.149) 6.907 9.836 ( 3.968 -0.000 -5.439) 6.732 9.880 ( 2.243 -0.000 -11.730) 11.943 11.743 ( -3.584 0.000 9.145) 9.822 11.873 ( -4.078 0.000 -4.139) 5.810 12.086 ( 8.134 -0.000 3.645) 8.914 12.925 ( -0.422 0.000 -6.788) 6.801 13.029 ( 1.645 -0.000 -1.054) 1.953 13.323 ( -4.819 0.000 -0.596) 4.856 13.436 ( 3.771 -0.000 1.927) 4.235 14.301 ( 7.873 -0.000 5.457) 9.579 ======================= Grid point 226 (97/462) ======================= q-point: ( 0.38 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -3.103 -20.418 9.901) 22.903 2.963 ( -12.512 -9.468 21.999) 27.021 3.564 ( 23.065 -3.271 3.092) 23.500 3.769 ( -4.943 -7.200 -15.220) 17.548 4.379 ( 5.276 3.562 14.074) 15.447 6.354 ( -1.469 -3.382 -0.009) 3.687 6.785 ( -10.551 4.893 6.848) 13.497 6.887 ( -11.748 -1.308 -0.251) 11.824 9.744 ( 4.408 8.917 -11.352) 15.094 9.857 ( 1.523 1.735 -4.789) 5.317 11.762 ( -3.032 0.212 2.062) 3.673 11.829 ( -4.285 -5.146 2.193) 7.046 12.194 ( 7.711 2.071 3.537) 8.733 12.883 ( 0.558 -0.205 -6.144) 6.173 13.014 ( 1.212 3.394 -1.545) 3.921 13.293 ( -4.054 -4.021 0.321) 5.719 13.503 ( 3.281 -1.511 1.734) 4.007 14.423 ( 7.621 1.641 4.557) 9.030 ======================= Grid point 227 (98/462) ======================= q-point: ( 0.46 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -3.485 -12.146 8.475) 15.215 3.171 ( -4.997 -17.595 8.445) 20.147 3.755 ( 0.951 -11.123 -13.091) 17.205 3.994 ( 13.633 -16.484 11.140) 24.118 4.455 ( 1.245 2.104 11.674) 11.928 6.367 ( -4.506 3.130 6.061) 8.176 6.676 ( -7.640 0.401 8.107) 11.147 6.733 ( -12.147 -4.399 -8.208) 15.306 9.563 ( 4.814 12.901 -13.276) 19.128 9.777 ( -0.015 8.643 -0.439) 8.654 11.710 ( -4.141 -1.429 -2.692) 5.142 11.923 ( -0.645 -7.283 4.795) 8.744 12.267 ( 5.771 2.753 3.234) 7.165 12.848 ( 0.855 1.290 -5.103) 5.333 12.956 ( 1.233 4.674 -1.853) 5.177 13.340 ( -3.180 -8.010 1.549) 8.757 13.578 ( 2.760 -2.064 1.491) 3.755 14.492 ( 5.717 4.080 2.628) 7.499 ======================= Grid point 228 (99/462) ======================= q-point: (-0.46 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -1.802 -8.860 9.206) 12.903 3.332 ( -2.036 -9.267 -1.159) 9.558 3.776 ( 0.474 5.864 -5.283) 7.907 4.422 ( 13.340 -9.698 3.971) 16.964 4.717 ( -4.035 -35.406 13.057) 37.953 6.210 ( -6.724 13.837 7.382) 17.064 6.522 ( -16.599 -0.621 1.678) 16.695 6.825 ( 1.450 -15.496 -1.749) 15.661 9.321 ( 4.539 16.848 -13.447) 22.029 9.613 ( -0.871 14.901 2.341) 15.109 11.684 ( -2.385 -3.453 -2.523) 4.896 12.061 ( 1.692 -7.692 2.264) 8.195 12.301 ( 2.157 2.374 2.363) 3.984 12.799 ( 2.373 3.696 -3.220) 5.446 12.899 ( 0.435 3.259 -1.853) 3.774 13.447 ( -2.481 -10.011 2.480) 10.607 13.641 ( 2.014 -1.340 1.055) 2.639 14.486 ( 2.945 5.893 0.555) 6.611 ======================= Grid point 229 (100/462) ======================= q-point: (-0.38 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( -3.425 -7.076 3.692) 8.685 3.419 ( -1.066 -3.240 0.355) 3.429 3.539 ( 1.953 19.009 1.712) 19.186 4.765 ( 9.440 -19.197 -1.442) 21.441 5.240 ( -3.918 -24.944 7.920) 26.463 5.998 ( -2.684 10.194 3.238) 11.027 6.403 ( -16.972 -11.458 6.848) 21.592 7.069 ( 2.579 -14.417 1.679) 14.741 9.028 ( 4.000 20.077 -11.064) 23.270 9.389 ( -0.465 18.044 2.270) 18.192 11.713 ( -0.415 -5.389 -2.227) 5.846 12.185 ( 3.351 -2.822 -0.833) 4.459 12.293 ( -1.399 -0.637 1.245) 1.978 12.778 ( 5.024 3.937 -0.592) 6.411 12.848 ( -1.839 1.111 -0.933) 2.343 13.579 ( -1.677 -9.651 2.589) 10.132 13.669 ( 0.738 0.671 0.317) 1.047 14.420 ( 0.310 5.923 -0.714) 5.974 ======================= Grid point 230 (101/462) ======================= q-point: (-0.31 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -10.724 20.580 -3.533) 23.474 3.319 ( 1.568 1.992 1.687) 3.045 3.699 ( 10.596 -7.517 10.232) 16.537 5.128 ( 2.812 -20.842 -1.407) 21.077 5.225 ( -7.331 15.743 4.159) 17.857 5.938 ( 1.753 -0.119 -7.360) 7.566 6.644 ( -11.181 -35.130 15.010) 39.805 7.256 ( 0.780 -4.034 4.720) 6.258 8.745 ( 4.077 17.078 -6.556) 18.742 9.154 ( 0.853 16.450 -0.326) 16.475 11.778 ( 0.148 -6.004 -2.394) 6.465 12.146 ( -0.921 4.867 -4.882) 6.955 12.364 ( 2.501 -4.152 2.656) 5.527 12.760 ( 1.600 4.834 0.041) 5.092 12.860 ( 0.490 -4.270 1.547) 4.568 13.615 ( -1.212 3.493 -2.280) 4.344 13.722 ( -0.689 -7.451 3.361) 8.203 14.333 ( -1.446 4.437 -0.806) 4.736 ======================= Grid point 231 (102/462) ======================= q-point: (-0.23 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -8.053 22.993 -0.831) 24.377 3.325 ( 1.501 0.675 -0.967) 1.909 4.049 ( 13.959 -7.977 14.362) 21.558 4.807 ( -2.992 33.260 3.340) 33.561 5.408 ( -13.494 -25.010 0.217) 28.420 5.944 ( 9.887 -1.148 -9.792) 13.963 7.084 ( -3.992 -13.343 8.668) 16.405 7.232 ( -4.616 1.450 10.391) 11.462 8.632 ( 4.453 1.216 -1.892) 4.989 8.980 ( 2.219 8.218 -3.189) 9.091 11.830 ( -0.816 -3.882 -2.821) 4.868 12.011 ( -2.543 4.606 -7.005) 8.761 12.467 ( 4.149 -1.129 4.189) 6.004 12.716 ( -0.188 3.244 1.977) 3.804 12.964 ( 1.190 -7.130 1.111) 7.313 13.493 ( -3.153 6.418 -3.889) 8.140 13.832 ( 0.111 -5.380 2.857) 6.093 14.252 ( -2.332 3.533 -0.460) 4.258 ======================= Grid point 232 (103/462) ======================= q-point: (-0.15 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -3.141 17.243 2.344) 17.683 3.322 ( 2.515 2.552 -0.418) 3.607 4.270 ( -3.442 28.944 5.072) 29.586 4.468 ( 15.101 2.677 14.526) 21.123 5.515 ( -13.713 -18.067 -1.563) 22.736 6.048 ( 6.587 -2.406 -5.943) 9.192 6.815 ( 0.618 33.312 9.181) 34.560 7.439 ( -4.934 -10.732 5.590) 13.068 8.752 ( 4.597 -8.811 -0.448) 9.948 8.992 ( 1.578 -11.050 -2.441) 11.426 11.784 ( -2.425 4.451 -5.250) 7.297 11.911 ( -2.661 -2.488 -5.389) 6.505 12.547 ( 3.582 1.876 5.612) 6.917 12.701 ( 0.412 1.635 3.253) 3.664 13.087 ( 0.678 -8.238 -0.410) 8.276 13.323 ( -4.471 6.546 -4.532) 9.131 13.910 ( 0.862 -2.622 2.191) 3.524 14.164 ( -2.849 4.503 -0.480) 5.350 ======================= Grid point 233 (104/462) ======================= q-point: (-0.08 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 3.370 7.499 5.641) 9.970 3.304 ( 3.730 7.646 2.924) 8.995 3.786 ( -1.831 34.127 4.272) 34.442 4.718 ( 6.164 1.069 12.658) 14.120 5.570 ( -5.490 -2.606 -6.518) 8.912 5.938 ( -1.891 19.383 15.443) 24.854 6.600 ( 6.283 5.434 -0.443) 8.319 7.426 ( -3.054 6.520 0.262) 7.204 8.946 ( 5.513 -12.217 -3.124) 13.763 9.253 ( -0.777 -23.348 1.143) 23.389 11.643 ( -1.839 4.746 -5.775) 7.698 11.897 ( -2.574 -3.588 -3.496) 5.632 12.560 ( 0.110 6.429 6.909) 9.438 12.729 ( 2.157 -0.580 1.946) 2.962 13.156 ( -3.262 3.427 -4.190) 6.320 13.199 ( -0.579 -6.472 -1.273) 6.621 13.955 ( 1.148 0.009 1.280) 1.720 14.049 ( -2.887 6.236 -0.483) 6.888 ======================= Grid point 239 (105/462) ======================= q-point: ( 0.38 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -5.550 0.000 12.905) 14.048 2.895 ( -12.854 0.000 20.820) 24.468 3.573 ( -3.126 0.000 -11.782) 12.190 3.843 ( 22.678 -0.000 2.106) 22.776 4.567 ( 4.074 -0.000 12.529) 13.175 6.324 ( 0.563 -0.000 1.042) 1.184 6.669 ( -17.275 0.000 -4.259) 17.792 6.760 ( -9.148 0.000 7.249) 11.671 9.791 ( 3.778 -0.000 -11.311) 11.925 9.850 ( 3.601 -0.000 -5.789) 6.817 11.691 ( -5.001 0.000 -3.861) 6.318 11.810 ( -2.429 0.000 9.962) 10.254 12.314 ( 5.867 -0.000 2.542) 6.394 12.857 ( 1.740 -0.000 -5.073) 5.363 13.041 ( 1.320 -0.000 -2.118) 2.495 13.222 ( -3.579 0.000 1.353) 3.827 13.535 ( 2.175 -0.000 1.422) 2.599 14.553 ( 6.844 -0.000 2.858) 7.416 ======================= Grid point 240 (106/462) ======================= q-point: ( 0.46 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -4.460 -18.999 8.756) 21.390 2.948 ( -11.419 -10.261 18.315) 23.898 3.538 ( -0.091 -7.033 -4.794) 8.512 4.147 ( 18.620 -4.015 5.023) 19.699 4.617 ( -0.275 6.935 7.888) 10.507 6.374 ( -6.868 -0.598 10.509) 12.568 6.434 ( -8.492 -5.359 -15.184) 18.204 6.678 ( -7.741 3.656 7.343) 11.279 9.691 ( 5.202 9.180 -12.189) 16.122 9.848 ( 2.267 2.016 -3.850) 4.901 11.624 ( -3.147 -0.995 -2.618) 4.213 11.875 ( -2.432 -4.132 8.640) 9.881 12.371 ( 3.284 1.761 1.208) 3.917 12.847 ( 2.143 0.622 -3.868) 4.466 13.019 ( 1.597 3.361 -2.049) 4.248 13.230 ( -2.690 -4.603 2.639) 5.949 13.579 ( 1.250 -2.036 1.066) 2.616 14.616 ( 4.370 2.760 0.284) 5.177 ======================= Grid point 241 (107/462) ======================= q-point: (-0.46 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -5.298 -14.242 7.417) 16.909 3.134 ( -4.949 -15.407 5.841) 17.204 3.733 ( 4.185 -15.837 4.763) 17.059 4.478 ( 6.628 -5.045 5.288) 9.866 4.506 ( -2.314 -0.107 7.510) 7.859 6.201 ( -17.088 -2.914 -0.542) 17.343 6.422 ( 0.262 7.382 -3.593) 8.214 6.684 ( 0.385 -8.724 6.474) 10.871 9.508 ( 6.056 14.122 -13.348) 20.354 9.781 ( 0.681 8.310 -0.383) 8.347 11.608 ( -0.467 -2.130 -1.669) 2.747 11.983 ( -1.847 -7.596 6.378) 10.089 12.362 ( 0.256 2.990 -0.504) 3.043 12.838 ( 2.416 1.410 -2.336) 3.644 12.968 ( 1.751 5.025 -1.401) 5.502 13.315 ( -1.818 -8.131 3.702) 9.117 13.630 ( 0.299 -2.740 0.492) 2.800 14.587 ( 1.233 5.211 -2.188) 5.785 ======================= Grid point 242 (108/462) ======================= q-point: (-0.38 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( -6.906 -9.046 4.471) 12.228 3.314 ( 0.710 -10.993 1.250) 11.086 3.888 ( 5.138 13.829 7.271) 16.447 4.484 ( -6.266 -21.304 -3.382) 22.463 4.911 ( 0.570 -25.548 15.473) 29.873 6.077 ( -12.702 -5.230 2.872) 14.034 6.233 ( 0.217 13.596 -4.008) 14.176 6.927 ( 4.039 -14.037 4.652) 15.329 9.270 ( 6.498 17.649 -13.194) 22.974 9.631 ( -0.266 14.497 2.096) 14.650 11.644 ( 1.629 -3.269 -1.516) 3.955 12.124 ( -0.590 -9.142 4.145) 10.055 12.292 ( -2.544 3.416 -1.962) 4.690 12.838 ( 2.092 1.343 -0.491) 2.534 12.908 ( 1.898 5.451 -0.413) 5.786 13.451 ( -0.982 -9.623 4.191) 10.542 13.658 ( -1.032 -1.582 -0.564) 1.971 14.484 ( -1.398 5.960 -3.520) 7.061 ======================= Grid point 243 (109/462) ======================= q-point: (-0.31 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( -8.746 3.554 -0.488) 9.453 3.365 ( -1.922 2.824 -1.435) 3.705 3.893 ( 11.173 0.224 12.419) 16.707 4.709 ( -10.341 -23.598 -1.145) 25.790 5.289 ( -1.856 -10.724 6.061) 12.457 6.032 ( 3.685 10.565 -0.003) 11.189 6.177 ( -7.228 -22.982 5.561) 24.726 7.189 ( 2.868 -11.638 4.521) 12.810 9.008 ( 6.799 19.004 -11.186) 23.076 9.414 ( -0.134 18.240 2.498) 18.411 11.706 ( 2.030 -3.787 -1.925) 4.708 12.149 ( -2.784 4.316 -5.784) 7.735 12.307 ( -0.752 -9.460 5.259) 10.850 12.817 ( -0.456 3.713 1.195) 3.928 12.892 ( 3.737 1.644 0.619) 4.129 13.583 ( -1.529 -4.104 0.528) 4.411 13.649 ( -1.536 -3.661 1.192) 4.145 14.359 ( -2.730 4.567 -3.123) 6.170 ======================= Grid point 244 (110/462) ======================= q-point: (-0.23 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -9.867 16.913 -2.489) 19.739 3.334 ( 1.034 -0.422 -0.653) 1.294 4.238 ( 15.118 -8.132 15.500) 23.128 4.840 ( -18.397 -21.766 0.003) 28.500 5.203 ( -1.489 17.502 1.689) 17.646 6.004 ( 10.234 2.117 -9.062) 13.832 6.635 ( -6.006 -38.086 13.998) 41.019 7.341 ( -0.103 -1.213 5.542) 5.674 8.786 ( 6.808 14.169 -7.488) 17.412 9.178 ( 1.039 17.341 0.647) 17.384 11.761 ( 1.004 -3.245 -2.213) 4.054 11.987 ( -4.533 5.308 -7.146) 9.989 12.473 ( 1.370 -8.138 4.684) 9.490 12.772 ( -0.450 3.575 3.054) 4.724 12.937 ( 2.848 -1.350 0.635) 3.215 13.492 ( -4.661 4.697 -4.668) 8.098 13.771 ( 0.492 -7.306 4.048) 8.367 14.256 ( -2.958 2.784 -1.783) 4.436 ======================= Grid point 245 (111/462) ======================= q-point: (-0.15 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -5.883 14.121 -0.842) 15.320 3.363 ( 2.560 -0.357 -0.041) 2.585 4.513 ( -1.778 6.658 10.723) 12.746 4.886 ( 11.230 11.808 6.693) 17.617 5.042 ( -11.964 -19.732 0.319) 23.078 6.040 ( 5.792 -0.606 -9.664) 11.283 7.136 ( -2.749 -26.020 9.513) 27.841 7.271 ( -2.336 14.974 8.691) 17.470 8.720 ( 5.003 -0.309 -3.146) 5.918 9.002 ( 2.806 9.307 -2.296) 9.989 11.776 ( -1.307 1.836 -2.704) 3.520 11.819 ( -3.419 0.883 -6.623) 7.506 12.616 ( 2.615 -4.212 3.742) 6.212 12.753 ( -0.244 2.481 4.550) 5.188 13.003 ( 1.391 -4.236 -0.436) 4.480 13.314 ( -5.485 6.087 -5.269) 9.742 13.891 ( 1.134 -4.702 3.408) 5.917 14.175 ( -2.949 2.868 -0.902) 4.211 ======================= Grid point 246 (112/462) ======================= q-point: (-0.08 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.038 5.690 1.840) 5.980 3.401 ( 2.883 0.443 1.547) 3.302 4.216 ( -4.652 26.506 1.770) 26.969 4.882 ( -0.824 4.956 8.810) 10.142 5.402 ( 8.583 -19.078 3.928) 21.285 5.987 ( -4.978 0.395 -5.590) 7.495 7.010 ( 2.510 27.340 10.775) 29.494 7.398 ( -3.392 -7.787 3.215) 9.082 8.848 ( 3.058 -10.215 -0.062) 10.663 9.001 ( 2.498 -8.827 -3.543) 9.834 11.645 ( -1.809 4.250 -5.064) 6.854 11.807 ( -1.218 -2.610 -2.319) 3.698 12.687 ( 1.349 2.877 4.732) 5.699 12.752 ( 0.037 0.609 1.306) 1.442 13.079 ( 0.240 -5.868 -1.938) 6.184 13.148 ( -3.959 3.609 -3.047) 6.163 13.972 ( 1.210 -1.501 2.390) 3.071 14.085 ( -2.652 4.255 -0.338) 5.025 ======================= Grid point 253 (113/462) ======================= q-point: ( 0.46 0.46 -0.90) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -6.474 0.000 12.653) 14.213 2.869 ( -11.320 0.000 18.446) 21.642 3.502 ( 3.310 -0.000 2.340) 4.054 4.352 ( 12.675 -0.000 5.798) 13.938 4.689 ( -3.692 0.000 2.902) 4.696 6.128 ( -15.479 0.000 -10.939) 18.954 6.429 ( 4.963 -0.000 4.271) 6.548 6.669 ( -6.017 0.000 6.290) 8.705 9.750 ( 5.470 -0.000 -10.831) 12.134 9.852 ( 3.431 -0.000 -6.063) 6.966 11.584 ( -0.409 0.000 -0.500) 0.646 11.865 ( -4.371 0.000 8.823) 9.847 12.409 ( 0.662 -0.000 -0.792) 1.032 12.860 ( 2.673 -0.000 -2.660) 3.771 13.051 ( 1.807 -0.000 -1.653) 2.449 13.192 ( -1.852 0.000 3.883) 4.302 13.578 ( 0.089 -0.000 0.654) 0.660 14.665 ( 1.535 -0.000 -2.629) 3.044 ======================= Grid point 254 (114/462) ======================= q-point: (-0.46 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -5.558 -16.720 8.734) 19.666 2.926 ( -9.810 -9.599 16.087) 21.146 3.663 ( 6.138 -9.126 10.841) 15.443 4.507 ( -4.428 1.597 5.672) 7.371 4.571 ( -2.303 2.992 2.071) 4.307 5.927 ( -7.875 -4.133 -12.782) 15.572 6.522 ( 3.478 3.588 2.424) 5.554 6.659 ( -0.409 -3.181 7.061) 7.755 9.666 ( 6.567 10.033 -11.999) 16.964 9.852 ( 2.509 1.509 -3.967) 4.931 11.601 ( 2.329 -0.180 0.974) 2.531 11.900 ( -4.940 -5.256 7.722) 10.567 12.376 ( -1.765 1.903 -2.653) 3.711 12.873 ( 2.880 0.801 -1.396) 3.299 13.039 ( 1.517 3.202 -0.933) 3.664 13.239 ( -0.870 -4.552 5.001) 6.819 13.591 ( -0.948 -2.145 -0.068) 2.346 14.616 ( -1.618 2.807 -5.127) 6.065 ======================= Grid point 255 (115/462) ======================= q-point: (-0.38 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -5.886 -11.471 7.546) 14.939 3.123 ( -3.501 -18.088 6.633) 19.582 4.041 ( 6.059 -18.784 14.621) 24.562 4.206 ( -12.562 12.845 -4.732) 18.579 4.710 ( -9.793 -14.407 15.982) 23.641 5.869 ( 0.884 -5.922 -12.409) 13.778 6.425 ( 0.585 11.947 1.314) 12.034 6.855 ( 5.462 -10.124 5.509) 12.755 9.488 ( 7.450 14.861 -13.187) 21.220 9.797 ( 1.241 7.699 -0.669) 7.827 11.648 ( 3.576 -0.302 0.745) 3.666 12.002 ( -3.615 -9.609 6.790) 12.309 12.280 ( -3.921 3.382 -4.155) 6.639 12.890 ( 3.114 1.465 -0.013) 3.442 12.994 ( 0.896 4.566 -0.150) 4.655 13.357 ( -0.125 -7.646 5.622) 9.492 13.602 ( -2.225 -2.403 -1.318) 3.530 14.490 ( -3.835 4.200 -6.175) 8.395 ======================= Grid point 256 (116/462) ======================= q-point: (-0.31 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -6.728 -2.777 4.741) 8.686 3.327 ( -0.967 -6.216 0.518) 6.312 3.947 ( -8.929 -6.799 -3.313) 11.702 4.388 ( -0.130 -9.681 10.786) 14.494 4.988 ( -14.017 -28.241 19.607) 37.127 5.938 ( 5.603 -9.150 -6.826) 12.717 6.268 ( 4.173 14.074 -0.904) 14.707 7.099 ( 3.891 -11.149 3.951) 12.452 9.265 ( 7.986 17.355 -13.146) 23.190 9.660 ( 0.604 14.041 1.698) 14.156 11.701 ( 3.324 -0.738 -0.269) 3.416 12.117 ( -3.502 1.752 -4.602) 6.043 12.181 ( -3.832 -9.086 5.238) 11.166 12.889 ( 1.391 4.248 1.162) 4.619 12.960 ( 2.150 2.039 0.608) 3.025 13.506 ( -0.302 -6.822 3.757) 7.794 13.580 ( -3.113 -2.433 -1.276) 4.152 14.342 ( -4.367 3.419 -5.171) 7.583 ======================= Grid point 257 (117/462) ======================= q-point: (-0.23 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -9.823 11.914 -2.089) 15.581 3.333 ( 0.286 -1.107 0.648) 1.314 4.159 ( -5.472 -29.838 -0.552) 30.341 4.513 ( -2.730 -3.253 13.180) 13.847 5.240 ( -9.740 -10.501 7.268) 16.061 6.150 ( 6.473 10.359 -2.326) 12.434 6.227 ( 4.669 -25.134 4.749) 26.002 7.295 ( 0.715 -8.923 3.530) 9.623 9.034 ( 8.087 17.202 -11.835) 22.392 9.456 ( 0.821 18.362 2.384) 18.534 11.742 ( 2.295 -0.734 -1.007) 2.612 11.948 ( -5.826 5.001 -6.349) 9.963 12.361 ( -0.963 -12.095 4.947) 13.103 12.844 ( -0.043 4.112 2.261) 4.693 12.981 ( 2.994 1.037 0.746) 3.256 13.451 ( -4.946 3.053 -4.975) 7.651 13.701 ( 0.753 -8.543 5.437) 10.155 14.230 ( -3.714 1.602 -2.972) 5.020 ======================= Grid point 258 (118/462) ======================= q-point: (-0.15 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -7.350 12.155 -3.054) 14.529 3.383 ( 2.172 -1.658 1.336) 3.042 4.383 ( -18.478 -19.629 1.871) 27.023 4.733 ( 8.581 -11.068 8.092) 16.175 5.211 ( -0.145 4.917 5.929) 7.704 6.068 ( 3.579 7.014 -7.522) 10.889 6.731 ( -1.345 -32.550 10.404) 34.198 7.403 ( -0.617 -1.743 5.605) 5.902 8.841 ( 6.946 12.229 -9.506) 16.975 9.226 ( 1.725 18.017 1.108) 18.133 11.756 ( -1.259 0.798 -4.188) 4.445 11.778 ( -2.474 3.344 -2.479) 4.843 12.538 ( -0.252 -10.642 1.957) 10.823 12.817 ( -0.230 2.499 3.459) 4.273 13.004 ( 2.152 0.508 -0.348) 2.238 13.293 ( -4.758 5.405 -4.691) 8.594 13.857 ( 1.282 -6.599 4.924) 8.333 14.157 ( -3.137 1.105 -1.341) 3.586 ======================= Grid point 259 (119/462) ======================= q-point: (-0.08 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -2.224 4.984 -0.762) 5.510 3.435 ( 1.588 -0.948 1.776) 2.564 4.334 ( -10.041 1.480 -0.728) 10.176 4.881 ( -5.414 -3.921 3.915) 7.747 5.425 ( 16.274 -10.105 11.046) 22.113 5.903 ( -6.073 6.751 -8.902) 12.716 7.141 ( -6.371 -21.716 6.992) 23.687 7.398 ( 1.594 10.273 8.614) 13.501 8.766 ( 3.570 -0.823 -5.581) 6.676 9.047 ( 2.735 10.304 -1.916) 10.832 11.641 ( -1.554 2.601 -3.880) 4.923 11.774 ( 0.585 -0.114 -0.380) 0.707 12.661 ( -0.550 -7.428 -1.679) 7.635 12.795 ( -1.155 3.557 1.058) 3.887 13.030 ( 1.588 -2.281 0.099) 2.781 13.147 ( -2.497 5.201 -1.546) 5.973 13.976 ( 1.302 -3.392 3.946) 5.364 14.094 ( -2.701 2.009 -0.408) 3.391 ======================= Grid point 267 (120/462) ======================= q-point: (-0.46 -0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -7.801 0.000 11.947) 14.268 2.861 ( -10.380 0.000 18.235) 20.982 3.778 ( 7.715 -0.000 14.507) 16.430 4.475 ( -10.151 0.000 -6.778) 12.206 4.501 ( -13.477 0.000 13.609) 19.153 5.772 ( 4.615 -0.000 -16.535) 17.167 6.645 ( -2.383 0.000 5.212) 5.731 6.660 ( 8.512 -0.000 3.238) 9.107 9.754 ( 7.196 -0.000 -10.695) 12.891 9.849 ( 3.212 -0.000 -6.089) 6.884 11.664 ( 4.891 -0.000 3.192) 5.841 11.840 ( -6.740 0.000 7.824) 10.327 12.332 ( -3.690 0.000 -4.298) 5.664 12.908 ( 3.038 -0.000 -0.423) 3.067 13.073 ( 0.967 -0.000 -0.528) 1.102 13.242 ( 0.078 -0.000 6.132) 6.132 13.554 ( -2.001 0.000 -0.950) 2.215 14.553 ( -4.394 0.000 -7.302) 8.522 ======================= Grid point 268 (121/462) ======================= q-point: (-0.38 -0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -6.641 -16.817 8.697) 20.064 2.915 ( -9.980 -8.650 16.433) 21.082 3.955 ( -5.756 -0.541 4.100) 7.088 4.269 ( -1.273 3.040 7.779) 8.448 4.455 ( -21.474 -9.419 13.167) 26.893 5.790 ( 12.180 -2.955 -15.873) 20.224 6.591 ( 1.274 8.384 2.853) 8.948 6.842 ( 6.436 -7.070 2.513) 9.886 9.675 ( 7.662 11.202 -11.693) 17.914 9.862 ( 3.087 0.463 -4.225) 5.253 11.724 ( 3.278 2.504 3.487) 5.402 11.882 ( -3.755 -7.859 7.719) 11.638 12.228 ( -5.381 2.071 -5.479) 7.954 12.945 ( 3.363 0.357 0.525) 3.422 13.054 ( 0.142 3.245 -0.126) 3.250 13.321 ( 0.660 -4.103 6.827) 7.992 13.526 ( -3.078 -1.792 -2.362) 4.274 14.421 ( -5.873 1.743 -7.757) 9.884 ======================= Grid point 269 (122/462) ======================= q-point: (-0.31 -0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -6.084 -9.082 7.784) 13.420 3.121 ( -5.261 -22.008 7.377) 23.800 3.662 ( -18.109 4.242 -8.299) 20.366 4.399 ( -12.790 -6.988 10.931) 18.218 4.587 ( -5.831 -19.814 24.748) 32.235 5.906 ( 14.120 -4.771 -12.684) 19.571 6.496 ( 4.102 11.527 1.006) 12.276 7.028 ( 3.503 -8.754 1.317) 9.520 9.499 ( 8.004 15.339 -12.583) 21.393 9.827 ( 2.504 6.970 -1.421) 7.541 11.749 ( 1.905 1.025 2.545) 3.340 12.035 ( -1.106 -10.105 6.836) 12.251 12.073 ( -6.634 3.594 -5.996) 9.637 12.971 ( 1.544 3.668 0.538) 4.016 13.009 ( 1.188 1.616 0.718) 2.130 13.450 ( 0.003 -4.865 4.057) 6.334 13.492 ( -3.031 -3.304 -0.983) 4.590 14.276 ( -5.517 1.562 -6.128) 8.392 ======================= Grid point 270 (123/462) ======================= q-point: (-0.23 -0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -9.381 7.519 -0.527) 12.034 3.303 ( -1.874 -4.134 1.958) 4.944 3.595 ( -13.817 -29.526 -1.381) 32.629 4.476 ( -10.802 -15.272 14.017) 23.375 4.913 ( -9.754 -16.886 15.612) 24.980 6.104 ( 12.286 -10.708 -6.268) 17.462 6.395 ( 6.639 13.196 0.482) 14.780 7.186 ( 0.140 -9.759 1.504) 9.875 9.283 ( 7.827 16.984 -12.581) 22.539 9.710 ( 2.118 13.576 0.528) 13.750 11.777 ( 2.266 0.929 1.408) 2.825 11.893 ( -6.788 4.201 -5.643) 9.776 12.213 ( -1.011 -11.386 4.628) 12.332 12.909 ( -0.930 4.350 1.283) 4.630 13.032 ( 2.358 0.739 -0.275) 2.486 13.395 ( -3.673 1.573 -4.419) 5.957 13.636 ( 1.068 -8.414 6.944) 10.961 14.170 ( -4.184 0.190 -3.527) 5.475 ======================= Grid point 271 (124/462) ======================= q-point: (-0.15 -0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -8.511 10.742 -4.279) 14.357 3.374 ( 0.372 -4.303 1.518) 4.578 3.838 ( -16.212 -28.689 4.010) 33.196 4.748 ( 4.828 -11.643 7.293) 14.562 5.042 ( -14.916 -18.406 8.933) 25.319 6.224 ( 4.162 10.504 -8.932) 14.403 6.459 ( 5.205 -14.674 8.611) 17.793 7.337 ( -0.482 -9.965 3.977) 10.740 9.055 ( 6.957 16.330 -12.025) 21.440 9.516 ( 1.714 18.438 1.182) 18.555 11.726 ( -4.442 3.828 -4.385) 7.322 11.798 ( 1.672 1.198 1.028) 2.300 12.378 ( -1.282 -11.469 0.600) 11.556 12.864 ( -1.108 2.477 2.674) 3.809 13.026 ( 0.825 0.972 -3.271) 3.511 13.296 ( -1.649 4.268 -1.894) 4.952 13.812 ( 1.322 -7.777 6.436) 10.180 14.112 ( -3.235 -0.466 -1.626) 3.651 ======================= Grid point 272 (125/462) ======================= q-point: (-0.08 -0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -4.617 4.704 -2.041) 6.900 3.425 ( -0.790 -3.038 0.132) 3.142 4.056 ( -11.436 -21.568 5.692) 25.067 4.793 ( -3.735 0.031 -3.540) 5.146 5.407 ( 2.498 -26.833 12.585) 29.743 5.975 ( -1.936 17.579 -8.026) 19.421 6.793 ( -3.591 -21.710 7.366) 23.205 7.489 ( -0.026 -5.208 7.033) 8.752 8.849 ( 5.245 11.847 -10.654) 16.774 9.273 ( 0.899 18.776 0.229) 18.799 11.632 ( -0.812 1.346 -1.951) 2.506 11.806 ( 1.998 1.786 1.041) 2.874 12.497 ( -1.753 -10.040 -4.073) 10.976 12.821 ( -2.133 3.407 -1.084) 4.163 13.021 ( 1.806 -2.181 -0.488) 2.874 13.214 ( 0.045 6.060 0.890) 6.125 13.964 ( 1.323 -5.447 5.546) 7.885 14.070 ( -2.833 0.126 -0.645) 2.908 ======================= Grid point 281 (126/462) ======================= q-point: (-0.38 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -10.346 0.000 11.186) 15.237 2.850 ( -12.084 0.000 18.510) 22.105 3.843 ( -13.509 0.000 -10.085) 16.858 4.148 ( -30.164 0.000 17.783) 35.016 4.422 ( 9.064 -0.000 15.900) 18.302 5.838 ( 15.504 -0.000 -14.945) 21.534 6.710 ( 2.095 -0.000 5.030) 5.449 6.856 ( 5.846 -0.000 -2.966) 6.555 9.806 ( 9.198 -0.000 -10.562) 14.006 9.839 ( 2.809 -0.000 -5.960) 6.589 11.783 ( -6.834 0.000 8.510) 10.914 11.861 ( 5.857 -0.000 4.198) 7.206 12.130 ( -6.199 0.000 -5.941) 8.586 12.992 ( 3.256 -0.000 0.760) 3.343 13.076 ( -0.444 0.000 -0.119) 0.459 13.355 ( 1.195 -0.000 7.622) 7.715 13.450 ( -3.663 0.000 -3.679) 5.192 14.300 ( -6.497 0.000 -7.523) 9.940 ======================= Grid point 282 (127/462) ======================= q-point: (-0.31 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -9.549 -21.051 8.392) 24.592 2.865 ( -13.725 -7.025 16.178) 22.349 3.496 ( -16.090 8.660 -11.040) 21.348 3.994 ( -30.939 -13.169 16.274) 37.357 4.688 ( 8.820 -2.654 19.131) 21.233 5.941 ( 14.187 -2.717 -13.679) 19.894 6.703 ( 5.041 8.738 1.889) 10.263 6.949 ( 2.045 -7.293 -1.977) 7.828 9.704 ( 6.853 12.253 -10.331) 17.430 9.894 ( 5.169 -0.440 -5.333) 7.440 11.769 ( -4.914 -1.382 6.124) 7.972 11.970 ( 0.484 -1.522 1.072) 1.923 12.012 ( -3.011 0.072 -1.243) 3.258 13.026 ( 1.320 1.602 -0.607) 2.163 13.045 ( -0.087 1.802 0.251) 1.821 13.389 ( -2.971 -1.201 -4.033) 5.151 13.453 ( 1.303 -3.807 7.980) 8.937 14.176 ( -5.560 0.172 -5.590) 7.886 ======================= Grid point 283 (128/462) ======================= q-point: (-0.23 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -9.755 1.005 4.091) 10.626 2.978 ( -13.712 -31.153 1.054) 34.054 3.215 ( -10.064 -2.963 0.826) 10.524 3.994 ( -29.530 -25.322 18.348) 43.011 4.907 ( 3.587 0.443 13.193) 13.679 6.065 ( 9.174 -6.799 -11.166) 15.971 6.655 ( 7.675 10.142 0.352) 12.724 7.062 ( -0.233 -8.375 1.113) 8.452 9.515 ( 6.612 15.699 -11.259) 20.419 9.881 ( 4.216 6.700 -2.832) 8.408 11.760 ( -6.492 -2.588 -0.679) 7.022 11.880 ( 0.033 4.787 0.407) 4.805 12.110 ( 0.145 -6.560 3.792) 7.579 12.960 ( -1.566 4.213 0.350) 4.508 13.043 ( 0.268 0.105 -3.273) 3.286 13.354 ( -0.632 -0.013 -2.085) 2.179 13.599 ( 1.315 -6.503 8.037) 10.422 14.090 ( -4.069 -0.768 -3.225) 5.248 ======================= Grid point 284 (129/462) ======================= q-point: (-0.15 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -10.804 8.971 -4.557) 14.764 3.256 ( -9.276 -19.649 -1.689) 21.794 3.283 ( -9.836 -20.549 8.894) 24.457 4.306 ( -20.049 -44.764 19.259) 52.695 4.922 ( -0.577 6.822 1.509) 7.011 6.161 ( -0.941 -6.943 -8.595) 11.089 6.626 ( 9.356 9.339 2.571) 13.468 7.211 ( 0.064 -10.723 4.644) 11.686 9.283 ( 5.990 17.086 -11.705) 21.560 9.769 ( 2.714 13.745 -0.958) 14.043 11.675 ( -5.196 0.329 -2.731) 5.879 11.869 ( 2.982 3.080 2.678) 5.054 12.223 ( -1.178 -8.408 0.295) 8.495 12.898 ( -1.896 2.902 1.921) 3.963 13.002 ( -0.216 0.042 -5.862) 5.866 13.337 ( 1.159 2.464 0.213) 2.731 13.768 ( 1.199 -7.635 7.511) 10.777 14.048 ( -3.063 -1.453 -1.567) 3.735 ======================= Grid point 285 (130/462) ======================= q-point: (-0.08 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -8.434 3.974 -2.334) 9.611 3.307 ( -4.307 -8.130 -4.099) 10.072 3.604 ( -12.543 -30.609 12.536) 35.375 4.743 ( -8.814 1.932 -3.121) 9.547 4.951 ( -2.329 -43.233 10.675) 44.592 6.051 ( -7.894 6.565 -7.065) 12.463 6.691 ( 5.584 -0.593 5.617) 7.943 7.407 ( -0.437 -11.099 6.451) 12.845 9.036 ( 5.282 16.423 -11.756) 20.876 9.556 ( 0.730 19.447 0.060) 19.460 11.627 ( -0.446 -0.463 -0.058) 0.645 11.881 ( 3.203 3.005 1.901) 4.786 12.313 ( -1.333 -8.737 -4.185) 9.779 12.828 ( -2.908 3.735 -1.915) 5.107 13.007 ( 2.456 -3.079 -0.809) 4.021 13.306 ( 1.071 4.922 0.895) 5.117 13.934 ( 1.046 -7.032 6.572) 9.681 14.024 ( -2.701 -1.045 -0.700) 2.979 ======================= Grid point 295 (131/462) ======================= q-point: (-0.31 -0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -16.522 0.000 10.376) 19.510 2.754 ( -17.903 0.000 19.010) 26.113 3.300 ( -11.179 0.000 -16.879) 20.246 3.612 ( -34.801 0.000 20.316) 40.297 4.921 ( 8.783 -0.000 19.007) 20.938 5.968 ( 9.425 -0.000 -15.627) 18.249 6.849 ( 0.716 -0.000 -6.851) 6.888 6.893 ( 6.322 -0.000 6.182) 8.842 9.819 ( 2.264 -0.000 -5.719) 6.151 9.900 ( 10.103 -0.000 -10.393) 14.494 11.695 ( -8.685 0.000 2.208) 8.962 11.965 ( -1.911 0.000 1.809) 2.631 12.023 ( 2.654 -0.000 3.194) 4.152 13.033 ( 0.132 -0.000 -3.882) 3.884 13.046 ( -1.797 0.000 -0.172) 1.805 13.336 ( -0.158 0.000 -1.813) 1.820 13.503 ( 1.528 -0.000 8.385) 8.524 14.079 ( -4.634 0.000 -4.014) 6.131 ======================= Grid point 296 (132/462) ======================= q-point: (-0.23 -0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -18.362 -27.408 6.536) 33.631 2.663 ( -18.529 -1.277 12.335) 22.296 3.052 ( -10.025 0.278 -4.566) 11.019 3.442 ( -33.132 -15.714 17.478) 40.622 5.109 ( 6.075 5.046 14.037) 16.106 5.954 ( 1.203 -5.413 -16.017) 16.950 6.810 ( 4.136 1.716 -4.464) 6.323 7.030 ( 4.939 -1.595 6.613) 8.406 9.709 ( 4.259 11.847 -8.420) 15.146 9.961 ( 6.911 0.367 -6.899) 9.772 11.611 ( -8.172 -3.093 -1.855) 8.932 11.969 ( 1.467 2.932 5.477) 6.383 12.080 ( 0.450 -2.286 2.844) 3.676 12.978 ( -1.372 1.488 -4.086) 4.560 13.008 ( -1.973 0.982 -2.518) 3.346 13.354 ( 2.103 -0.626 0.305) 2.216 13.603 ( 1.264 -3.403 8.377) 9.130 14.012 ( -3.465 -0.789 -2.379) 4.277 ======================= Grid point 297 (133/462) ======================= q-point: (-0.15 -0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -17.175 0.333 -3.869) 17.609 2.703 ( -16.424 -29.176 11.086) 35.268 3.057 ( -5.454 -12.414 -0.489) 13.568 3.536 ( -30.758 -38.956 22.249) 54.394 5.082 ( 1.717 12.742 0.442) 12.865 5.949 ( -5.516 -9.506 -8.147) 13.681 6.829 ( 7.585 2.857 -3.161) 8.700 7.160 ( 2.552 -3.455 8.634) 9.643 9.503 ( 4.698 15.956 -10.065) 19.441 9.942 ( 4.304 7.291 -3.694) 9.237 11.565 ( -5.169 -4.306 -1.948) 7.004 11.986 ( 3.270 4.208 4.714) 7.115 12.136 ( -0.232 -3.625 1.215) 3.831 12.922 ( -2.578 2.925 0.825) 3.986 12.949 ( 0.043 -1.070 -6.446) 6.535 13.385 ( 2.196 0.877 0.571) 2.433 13.739 ( 0.825 -5.993 7.857) 9.916 13.981 ( -2.632 -1.633 -1.238) 3.336 ======================= Grid point 298 (134/462) ======================= q-point: (-0.08 -0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -14.994 1.262 -2.386) 15.235 2.988 ( -16.433 -27.821 11.900) 34.434 3.164 ( -4.576 -16.462 -3.492) 17.439 4.086 ( -20.016 -58.312 20.545) 64.985 4.859 ( -1.419 12.042 -10.463) 16.015 5.930 ( -7.518 -2.983 -1.516) 8.229 6.859 ( 8.058 5.051 -0.458) 9.521 7.307 ( -1.076 -7.630 8.315) 11.337 9.256 ( 4.998 17.421 -10.909) 21.154 9.809 ( 1.897 14.976 -1.121) 15.137 11.585 ( -0.972 -5.057 0.267) 5.156 11.994 ( 3.662 4.590 2.931) 6.563 12.192 ( 0.736 -4.368 -2.018) 4.867 12.830 ( -3.369 3.902 -1.556) 5.385 12.981 ( 2.800 -4.284 -1.585) 5.357 13.382 ( 1.340 3.282 0.173) 3.549 13.890 ( 0.375 -7.094 6.543) 9.659 13.970 ( -2.210 -1.799 -0.296) 2.865 ======================= Grid point 309 (135/462) ======================= q-point: (-0.23 -0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -25.355 0.000 9.203) 26.974 2.479 ( -27.034 0.000 19.558) 33.366 2.933 ( -1.720 0.000 -12.711) 12.827 3.019 ( -38.412 0.000 22.353) 44.442 5.344 ( 6.563 -0.000 15.001) 16.374 5.729 ( -7.982 0.000 -20.823) 22.300 6.819 ( 3.575 -0.000 -3.678) 5.129 7.163 ( 7.007 -0.000 7.607) 10.343 9.790 ( 1.733 -0.000 -5.362) 5.635 9.992 ( 8.878 -0.000 -10.011) 13.381 11.479 ( -7.166 0.000 -1.600) 7.343 12.064 ( 2.720 -0.000 7.868) 8.325 12.085 ( 0.079 -0.000 1.901) 1.903 12.923 ( -0.619 0.000 -7.274) 7.300 12.985 ( -2.887 0.000 -0.374) 2.911 13.385 ( 2.773 -0.000 0.817) 2.890 13.650 ( 0.807 -0.000 8.149) 8.188 13.955 ( -2.710 0.000 -1.522) 3.108 ======================= Grid point 310 (136/462) ======================= q-point: (-0.15 -0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -23.678 -27.506 6.540) 36.878 2.303 ( -25.641 -7.607 10.639) 28.784 2.793 ( -32.460 -15.477 27.367) 45.190 2.921 ( -9.324 -10.871 -4.561) 15.031 5.267 ( -4.066 15.621 -7.713) 17.890 5.685 ( -3.082 -12.962 -0.070) 13.324 6.862 ( 4.574 -2.454 -3.801) 6.434 7.277 ( 4.517 2.168 8.554) 9.913 9.685 ( 3.016 11.500 -7.330) 13.967 10.027 ( 6.323 1.308 -6.584) 9.222 11.427 ( -4.732 -4.446 -0.738) 6.535 12.092 ( 0.753 0.959 2.096) 2.425 12.151 ( 3.637 1.180 6.310) 7.378 12.887 ( 0.856 -2.004 -6.069) 6.448 12.926 ( -3.484 2.428 -0.192) 4.251 13.421 ( 2.148 0.102 0.268) 2.167 13.734 ( 0.146 -3.291 7.486) 8.179 13.925 ( -2.090 -1.046 -0.922) 2.513 ======================= Grid point 311 (137/462) ======================= q-point: (-0.08 -0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -23.375 -5.418 -1.550) 24.045 2.386 ( -24.290 -34.208 14.300) 44.325 2.947 ( 1.892 -8.608 -7.525) 11.589 3.136 ( -31.269 -56.806 30.972) 71.860 4.909 ( -7.671 13.131 -12.756) 19.849 5.821 ( -0.585 -5.784 4.613) 7.422 6.936 ( 5.619 -3.241 -4.809) 8.075 7.331 ( -0.491 2.662 9.787) 10.155 9.478 ( 4.753 15.942 -9.321) 19.069 9.994 ( 3.741 8.483 -2.221) 9.533 11.474 ( -1.752 -7.947 0.287) 8.143 12.101 ( 1.416 1.750 1.681) 2.809 12.210 ( 5.004 2.493 3.184) 6.433 12.833 ( -3.886 3.837 -0.202) 5.465 12.933 ( 3.108 -5.549 -2.932) 7.003 13.430 ( 1.204 1.663 -0.479) 2.109 13.844 ( -0.415 -5.666 6.021) 8.279 13.918 ( -1.729 -1.947 -0.142) 2.608 ======================= Grid point 323 (138/462) ======================= q-point: (-0.15 -0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -30.530 0.000 17.486) 35.183 1.943 ( -32.581 0.000 4.400) 32.876 2.359 ( -49.788 0.000 40.232) 64.011 2.818 ( 2.640 -0.000 -7.109) 7.583 5.152 ( -13.853 0.000 -16.994) 21.925 5.674 ( 6.158 -0.000 10.141) 11.864 6.864 ( 3.358 -0.000 -3.824) 5.089 7.397 ( 2.600 -0.000 7.567) 8.002 9.759 ( 1.749 -0.000 -5.032) 5.327 10.065 ( 7.619 -0.000 -7.421) 10.636 11.342 ( -3.761 0.000 1.140) 3.930 12.110 ( 0.867 -0.000 0.805) 1.183 12.274 ( 4.826 -0.000 8.124) 9.449 12.840 ( 1.209 -0.000 -5.681) 5.808 12.899 ( -3.811 0.000 0.188) 3.816 13.444 ( 1.494 -0.000 -0.251) 1.515 13.757 ( -0.688 0.000 6.626) 6.662 13.889 ( -1.560 0.000 -0.780) 1.745 ======================= Grid point 324 (139/462) ======================= q-point: (-0.08 -0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -29.220 -15.290 7.808) 33.890 1.660 ( -30.299 -29.813 2.669) 42.591 2.289 ( -47.448 -34.711 52.868) 79.065 2.851 ( 3.971 -4.965 -4.696) 7.904 4.843 ( -10.355 6.788 -12.228) 17.402 5.830 ( 4.479 -2.943 6.539) 8.455 6.898 ( 3.198 -3.555 -4.531) 6.587 7.438 ( -0.736 3.261 7.533) 8.242 9.665 ( 3.773 10.785 -6.991) 13.395 10.110 ( 6.351 2.241 -2.350) 7.133 11.357 ( -2.231 -5.673 2.194) 6.478 12.129 ( 1.462 -0.008 0.218) 1.478 12.365 ( 5.339 3.522 6.776) 9.318 12.830 ( -4.313 2.259 0.461) 4.890 12.874 ( 3.677 -5.182 -2.346) 6.773 13.452 ( 0.806 0.511 -0.841) 1.272 13.810 ( -1.314 -3.354 5.377) 6.472 13.876 ( -1.202 -1.141 -0.556) 1.748 ======================= Grid point 337 (140/462) ======================= q-point: (-0.08 -0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -40.347 0.000 -8.933) 41.324 1.043 ( -30.977 0.000 40.341) 50.863 1.823 ( -54.849 0.000 67.344) 86.854 2.835 ( 3.408 -0.000 -1.580) 3.756 4.705 ( -6.967 0.000 -9.219) 11.555 5.902 ( 3.443 -0.000 3.969) 5.254 6.886 ( 3.937 -0.000 -2.817) 4.841 7.485 ( -2.808 0.000 5.965) 6.593 9.741 ( 2.385 -0.000 -4.767) 5.331 10.213 ( 10.607 -0.000 0.664) 10.627 11.312 ( -2.283 0.000 4.525) 5.068 12.146 ( 1.454 -0.000 -0.544) 1.552 12.499 ( 3.455 -0.000 6.823) 7.647 12.816 ( 2.156 -0.000 -3.851) 4.413 12.869 ( 1.107 -0.000 8.126) 8.202 13.456 ( 0.458 -0.000 -1.013) 1.111 13.799 ( -2.107 0.000 4.425) 4.901 13.851 ( -0.620 0.000 -0.898) 1.091 ======================= Grid point 338 (141/462) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 11.356 -0.000 31.784) 33.752 2.170 ( -17.516 0.000 47.748) 50.859 3.069 ( 6.294 -0.000 8.544) 10.612 3.164 ( -39.722 0.000 71.355) 81.666 4.725 ( 15.646 -0.000 5.588) 16.614 5.761 ( -10.359 0.000 -8.475) 13.384 6.663 ( 4.693 -0.000 -17.371) 17.994 7.577 ( -6.412 0.000 6.592) 9.196 9.590 ( 5.965 -0.000 -10.249) 11.858 10.040 ( 2.261 -0.000 -15.241) 15.408 11.508 ( -1.910 0.000 9.085) 9.283 12.080 ( -0.117 0.000 -4.009) 4.010 12.536 ( -10.155 0.000 0.871) 10.192 12.794 ( 4.624 -0.000 -1.858) 4.983 12.940 ( -1.931 0.000 0.260) 1.949 13.395 ( 0.950 -0.000 -3.907) 4.021 13.812 ( -5.533 0.000 1.987) 5.879 13.817 ( 1.159 -0.000 -0.659) 1.333 ======================= Grid point 339 (142/462) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 10.305 -2.448 26.049) 28.120 2.348 ( -16.116 -8.404 45.748) 49.226 3.128 ( -2.777 0.115 18.428) 18.637 3.529 ( -21.613 -32.571 50.869) 64.154 5.013 ( 21.702 1.718 13.086) 25.400 5.556 ( -12.178 -2.773 -12.939) 17.984 6.612 ( 4.652 -2.540 -17.415) 18.203 7.514 ( -6.581 4.423 6.647) 10.347 9.515 ( 6.593 10.029 -10.338) 15.841 9.970 ( 2.647 0.253 -13.137) 13.403 11.546 ( -1.816 0.459 7.803) 8.025 12.049 ( -0.581 -0.160 -4.098) 4.142 12.421 ( -10.431 -1.623 1.458) 10.656 12.828 ( 4.279 2.168 0.863) 4.874 12.949 ( -0.623 -2.624 -0.015) 2.697 13.371 ( 0.777 0.762 -4.512) 4.641 13.782 ( -5.225 -3.370 1.064) 6.308 13.843 ( 1.692 -1.369 0.239) 2.190 ======================= Grid point 340 (143/462) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 7.768 -2.632 18.017) 19.796 2.665 ( -12.299 -18.297 41.317) 46.831 3.252 ( 1.749 -3.815 9.882) 10.736 4.110 ( -17.807 -38.727 38.368) 57.349 5.182 ( -7.679 0.439 -3.087) 8.288 5.579 ( 18.068 -6.460 9.308) 21.327 6.605 ( 6.301 -4.171 -18.205) 19.711 7.393 ( -8.138 6.813 8.287) 13.466 9.361 ( 7.290 13.512 -10.333) 18.506 9.895 ( 3.067 4.279 -10.667) 11.895 11.547 ( -1.262 2.416 3.675) 4.575 12.003 ( -1.407 1.498 -4.009) 4.505 12.379 ( -7.916 -6.299 4.218) 10.960 12.846 ( 2.930 3.651 2.428) 5.274 12.984 ( 0.462 -3.192 -1.582) 3.592 13.332 ( 0.564 1.282 -4.812) 5.011 13.786 ( -5.215 -5.599 0.255) 7.656 13.898 ( 2.150 -2.256 1.246) 3.356 ======================= Grid point 341 (144/462) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 6.318 0.194 10.409) 12.178 3.102 ( -8.379 -24.530 33.144) 42.077 3.389 ( 3.237 -3.365 4.941) 6.799 4.635 ( -9.598 -27.220 20.094) 35.168 5.039 ( -15.488 -13.766 -6.155) 21.616 6.057 ( 20.093 -7.644 22.741) 31.294 6.590 ( 6.944 1.700 -18.063) 19.426 7.283 ( -9.705 0.680 9.953) 13.918 9.186 ( 7.748 14.439 -10.287) 19.348 9.764 ( 2.045 10.587 -7.378) 13.065 11.515 ( 0.452 2.670 0.185) 2.714 11.921 ( -1.885 3.037 -3.589) 5.065 12.449 ( -5.825 -9.876 5.253) 12.612 12.830 ( 1.161 4.057 1.574) 4.504 13.019 ( 0.947 -1.992 -1.918) 2.923 13.281 ( 0.539 2.473 -4.217) 4.918 13.813 ( -4.937 -7.261 -0.130) 8.781 13.972 ( 2.418 -2.555 2.372) 4.243 ======================= Grid point 342 (145/462) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 5.069 3.266 5.190) 7.956 3.482 ( 3.230 -0.199 4.010) 5.153 3.563 ( -6.648 -26.229 20.619) 34.019 4.752 ( -6.052 -7.745 -8.550) 13.028 5.289 ( -8.037 -28.598 15.887) 33.687 6.379 ( 4.482 16.442 -0.269) 17.044 6.604 ( 9.558 -15.261 9.598) 20.406 7.306 ( -8.389 -9.874 8.740) 15.629 9.015 ( 8.069 13.414 -10.551) 18.878 9.542 ( 0.002 17.809 -3.810) 18.212 11.503 ( 3.074 1.276 -1.376) 3.602 11.838 ( -1.094 2.922 -2.489) 3.991 12.543 ( -6.097 -9.477 1.392) 11.354 12.800 ( 0.651 2.778 1.682) 3.312 13.020 ( -0.220 0.001 -3.913) 3.919 13.230 ( 1.711 3.516 -1.167) 4.081 13.864 ( -4.241 -8.085 0.153) 9.131 14.055 ( 2.331 -2.011 3.425) 4.605 ======================= Grid point 343 (146/462) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 4.346 4.752 2.437) 6.886 3.536 ( 1.700 -0.009 3.534) 3.922 3.894 ( -5.969 -17.457 5.107) 19.143 4.789 ( -2.831 -14.079 -3.924) 14.887 5.659 ( -3.946 -16.925 15.115) 23.032 6.075 ( 1.080 23.700 -4.307) 24.113 7.039 ( 3.190 -21.435 11.981) 24.762 7.420 ( -8.452 -9.771 9.951) 16.307 8.879 ( 7.674 8.744 -10.796) 15.872 9.224 ( -2.075 23.182 -1.313) 23.312 11.537 ( 5.425 0.201 -1.379) 5.601 11.787 ( 0.327 1.751 -1.067) 2.076 12.560 ( -5.707 -6.079 -5.394) 9.930 12.773 ( -1.452 3.727 -0.667) 4.055 12.992 ( -0.212 -2.426 -2.542) 3.521 13.215 ( 3.163 3.949 2.451) 5.622 13.929 ( -3.593 -7.439 0.733) 8.294 14.127 ( 1.894 -0.700 4.319) 4.768 ======================= Grid point 344 (147/462) ======================= q-point: (-0.54 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 3.602 4.913 2.214) 6.481 3.563 ( -0.850 2.473 4.922) 5.574 3.976 ( -3.769 -9.121 -10.440) 14.366 4.999 ( -1.243 -14.360 5.774) 15.527 5.594 ( -14.737 12.967 -0.466) 19.635 6.001 ( 10.208 1.535 9.789) 14.226 7.402 ( -1.528 -13.849 2.933) 14.238 7.459 ( -8.925 -3.594 15.926) 18.607 8.836 ( 5.661 3.427 -7.338) 9.881 8.867 ( -2.898 15.618 -3.302) 16.224 11.601 ( 6.557 0.651 -0.252) 6.594 11.787 ( 2.029 -0.221 0.133) 2.045 12.525 ( -2.986 -3.672 -8.263) 9.523 12.637 ( -3.854 5.439 -6.519) 9.324 13.057 ( 0.351 -6.033 1.028) 6.130 13.218 ( 3.472 4.959 3.768) 7.131 13.984 ( -3.232 -5.432 1.005) 6.400 14.178 ( 1.235 0.968 5.167) 5.400 ======================= Grid point 345 (148/462) ======================= q-point: (-0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 1.374 5.093 3.786) 6.493 3.471 ( -4.322 8.656 -0.677) 9.699 4.010 ( 0.027 -10.847 -9.965) 14.730 4.920 ( -10.084 26.492 7.038) 29.206 5.470 ( -8.022 -20.422 -1.726) 22.009 6.127 ( 6.326 8.693 12.954) 16.835 7.227 ( -10.878 18.449 10.484) 23.846 7.675 ( -1.923 -9.690 6.805) 11.996 8.587 ( 1.263 9.827 -6.971) 12.115 8.979 ( 1.241 -17.114 -4.330) 17.697 11.671 ( 6.607 1.516 1.658) 6.979 11.838 ( 3.424 -1.642 0.358) 3.814 12.407 ( -2.214 7.486 -7.959) 11.149 12.550 ( -1.869 -6.071 -8.484) 10.598 13.154 ( 0.031 -6.395 0.545) 6.418 13.210 ( 3.259 6.058 3.761) 7.840 14.009 ( -2.978 -2.643 0.807) 4.062 14.202 ( 0.421 2.615 5.914) 6.480 ======================= Grid point 346 (149/462) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -4.137 6.494 5.760) 9.616 3.248 ( -3.310 10.943 -7.493) 13.669 4.108 ( -0.916 -5.018 -0.141) 5.103 4.392 ( -15.351 24.893 1.195) 29.270 5.663 ( -3.083 -13.593 0.296) 13.942 6.012 ( -7.249 27.236 21.241) 35.292 6.935 ( -4.036 12.480 4.696) 13.932 7.719 ( -4.120 5.201 8.912) 11.111 8.559 ( 5.712 -9.043 -12.883) 16.744 9.250 ( 0.665 -22.123 -1.731) 22.200 11.735 ( 5.428 3.381 2.825) 6.991 11.911 ( 3.892 -2.593 -0.338) 4.689 12.239 ( -0.687 5.493 -6.077) 8.220 12.582 ( 0.345 -7.143 -7.216) 10.159 13.177 ( 2.297 6.659 2.766) 7.568 13.241 ( 0.385 -5.493 -0.588) 5.537 13.996 ( -2.559 0.053 0.458) 2.600 14.197 ( -0.560 4.140 6.204) 7.480 ======================= Grid point 347 (150/462) ======================= q-point: (-0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -13.995 10.071 5.659) 18.147 3.028 ( 1.888 9.710 -9.718) 13.867 3.718 ( -18.375 36.104 15.249) 43.286 4.291 ( -2.982 -14.178 -7.931) 16.517 5.423 ( -17.476 48.447 31.453) 60.347 5.846 ( -3.213 -7.658 2.058) 8.557 6.868 ( 3.413 1.071 -3.241) 4.827 7.619 ( -5.688 7.642 9.861) 13.711 8.745 ( 7.622 -17.330 -13.232) 23.098 9.550 ( 2.647 -19.670 -2.411) 19.993 11.709 ( 1.748 7.871 0.063) 8.062 12.018 ( 3.766 -5.336 1.046) 6.615 12.182 ( 3.509 0.794 -1.847) 4.044 12.647 ( 0.694 -7.089 -4.543) 8.448 13.118 ( 2.188 7.804 1.188) 8.191 13.309 ( 0.514 -4.735 -1.756) 5.076 13.956 ( -1.901 1.859 0.122) 2.662 14.159 ( -1.700 5.482 5.889) 8.223 ======================= Grid point 348 (151/462) ======================= q-point: (-0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -22.409 14.694 3.481) 27.022 2.879 ( 0.833 12.522 -2.832) 12.866 3.129 ( -15.721 30.344 18.179) 38.709 4.386 ( -2.843 -10.558 -4.685) 11.896 4.696 ( -26.790 52.256 43.980) 73.366 5.923 ( 0.623 -3.461 0.704) 3.586 6.858 ( 4.917 2.874 -9.193) 10.814 7.552 ( -6.908 0.512 10.447) 12.535 9.007 ( 8.191 -18.595 -12.007) 23.601 9.811 ( 5.426 -14.246 -4.934) 16.023 11.603 ( 0.011 7.936 0.281) 7.941 12.101 ( 1.160 -1.775 -1.143) 2.409 12.296 ( 7.179 -5.917 3.219) 9.845 12.723 ( -1.357 -6.811 -1.187) 7.045 13.038 ( 3.781 8.549 -1.220) 9.427 13.359 ( 0.872 -3.482 -2.543) 4.399 13.906 ( -1.099 2.557 -0.330) 2.803 14.087 ( -2.939 6.241 5.157) 8.613 ======================= Grid point 349 (152/462) ======================= q-point: (-0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -20.305 16.021 10.089) 27.762 2.494 ( -22.401 28.213 32.161) 48.292 2.939 ( 6.455 7.336 -0.553) 9.788 3.984 ( -33.276 46.552 56.758) 80.596 4.460 ( 0.028 -6.687 -3.082) 7.363 5.955 ( -0.612 -0.648 -0.578) 1.062 6.788 ( 5.423 4.313 -12.308) 14.124 7.567 ( -7.063 -4.213 8.675) 11.953 9.274 ( 7.641 -17.038 -10.691) 21.517 10.002 ( 7.621 -8.559 -9.048) 14.601 11.516 ( -0.842 5.436 3.477) 6.507 12.112 ( 0.989 -0.370 -2.542) 2.753 12.500 ( 6.009 -6.451 4.198) 9.765 12.760 ( -6.568 -4.470 1.193) 8.034 12.982 ( 7.932 6.130 -4.322) 10.917 13.391 ( 1.138 -2.098 -2.969) 3.809 13.858 ( -0.290 2.355 -0.909) 2.541 13.992 ( -4.205 5.773 4.157) 8.264 ======================= Grid point 350 (153/462) ======================= q-point: (-0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -0.967 6.706 28.819) 29.605 2.176 ( -22.348 15.413 46.034) 53.443 2.951 ( 4.874 2.606 4.128) 6.898 3.424 ( -37.571 31.688 65.278) 81.713 4.552 ( 6.789 -2.524 0.656) 7.273 5.906 ( -5.314 0.550 -3.740) 6.522 6.722 ( 6.075 1.628 -15.314) 16.555 7.589 ( -6.954 -3.030 6.981) 10.309 9.496 ( 6.421 -11.995 -9.930) 16.844 10.088 ( 6.085 -2.825 -14.466) 15.946 11.485 ( -1.612 2.167 7.074) 7.572 12.104 ( 0.619 -0.013 -3.397) 3.453 12.617 ( -3.331 -1.096 3.189) 4.740 12.741 ( -0.059 -2.762 -1.003) 2.939 12.976 ( 3.034 1.987 -4.635) 5.885 13.402 ( 1.056 -0.852 -3.392) 3.653 13.824 ( 0.463 1.450 -1.166) 1.917 13.890 ( -5.436 3.641 2.924) 7.167 ======================= Grid point 352 (154/462) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 6.323 -0.000 22.222) 23.104 2.423 ( -12.102 0.000 38.840) 40.682 3.285 ( -27.587 0.000 60.898) 66.855 3.368 ( 4.036 -0.000 15.892) 16.397 5.249 ( -14.940 0.000 -17.930) 23.339 5.451 ( 27.899 -0.000 18.190) 33.305 6.524 ( 4.556 -0.000 -17.800) 18.373 7.516 ( -6.535 0.000 6.766) 9.407 9.594 ( 6.472 -0.000 -10.856) 12.638 9.908 ( 3.811 -0.000 -14.125) 14.630 11.598 ( -1.191 0.000 9.494) 9.568 12.011 ( -0.488 0.000 -4.139) 4.168 12.289 ( -10.450 0.000 1.696) 10.587 12.894 ( 4.476 -0.000 -0.207) 4.481 12.935 ( -0.309 0.000 1.591) 1.621 13.349 ( 0.376 -0.000 -5.116) 5.130 13.704 ( -5.021 0.000 0.772) 5.080 13.864 ( 2.439 -0.000 1.085) 2.670 ======================= Grid point 353 (155/462) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 6.008 -1.624 16.254) 17.405 2.616 ( -9.211 -10.275 34.280) 36.953 3.337 ( -8.737 1.337 31.263) 32.488 3.731 ( -11.441 -24.598 35.589) 44.750 4.932 ( -13.941 -0.280 -20.063) 24.433 5.947 ( 26.536 -1.781 21.074) 33.933 6.487 ( 5.693 -3.964 -18.228) 19.503 7.441 ( -8.173 5.147 7.939) 12.503 9.530 ( 7.024 8.922 -11.278) 16.004 9.872 ( 4.219 -0.980 -13.766) 14.431 11.626 ( 0.017 3.738 7.409) 8.298 11.976 ( -0.764 0.685 -3.786) 3.923 12.217 ( -9.108 -5.373 3.647) 11.186 12.924 ( 1.582 2.054 0.847) 2.727 12.962 ( 2.280 -1.640 -0.273) 2.822 13.312 ( 0.285 0.411 -5.213) 5.237 13.666 ( -5.188 -2.845 0.386) 5.929 13.917 ( 3.138 -1.168 2.075) 3.939 ======================= Grid point 354 (156/462) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 9.136 -0.237 7.325) 11.712 2.931 ( -7.510 -17.246 28.401) 34.065 3.462 ( -1.739 -1.645 20.409) 20.549 4.213 ( -13.870 -32.589 31.167) 47.179 4.670 ( -11.931 -5.278 -16.980) 21.413 6.379 ( 14.715 -3.265 11.063) 18.698 6.534 ( 12.127 -3.787 -8.801) 15.455 7.297 ( -10.615 7.236 10.298) 16.465 9.388 ( 7.415 12.296 -11.647) 18.489 9.821 ( 3.380 2.933 -11.585) 12.419 11.611 ( 2.346 5.669 4.370) 7.532 11.913 ( -1.605 2.321 -2.962) 4.091 12.262 ( -7.131 -9.840 4.482) 12.952 12.900 ( 0.559 3.611 0.500) 3.688 13.001 ( 1.240 -1.207 -2.065) 2.694 13.284 ( 1.605 0.487 -3.686) 4.050 13.661 ( -5.232 -5.487 0.223) 7.585 13.998 ( 3.689 -1.751 3.077) 5.113 ======================= Grid point 355 (157/462) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 10.337 4.870 1.858) 11.577 3.263 ( -5.550 -18.918 13.484) 23.885 3.613 ( 0.778 -1.474 19.873) 19.942 4.467 ( -5.787 -10.531 -15.272) 19.432 4.819 ( -14.405 -36.697 27.134) 47.858 6.470 ( 4.264 -1.255 -17.024) 17.595 6.773 ( 11.187 2.811 18.142) 21.498 7.183 ( -10.500 -1.235 11.865) 15.892 9.218 ( 7.402 13.278 -12.104) 19.432 9.697 ( 1.302 9.674 -7.970) 12.602 11.607 ( 5.469 4.829 2.453) 7.697 11.848 ( -0.704 2.409 -1.622) 2.988 12.337 ( -7.085 -9.487 1.423) 11.926 12.859 ( 0.401 3.476 1.152) 3.684 12.982 ( -1.147 0.202 -5.619) 5.738 13.292 ( 3.825 1.285 -0.342) 4.049 13.697 ( -4.707 -8.102 0.643) 9.392 14.092 ( 3.725 -1.489 3.878) 5.580 ======================= Grid point 356 (158/462) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 9.677 8.203 0.928) 12.720 3.463 ( -1.695 -11.316 -1.069) 11.492 3.798 ( 0.540 -2.660 16.104) 16.331 4.482 ( -5.202 -16.209 -8.818) 19.172 5.350 ( -9.939 -32.660 22.847) 41.078 6.303 ( 0.322 13.781 -10.507) 17.333 6.962 ( 1.317 -6.448 12.012) 13.697 7.254 ( -7.309 -9.651 12.154) 17.155 9.036 ( 6.633 12.566 -12.969) 19.238 9.468 ( -1.375 17.474 -3.803) 17.936 11.648 ( 7.983 3.129 1.353) 8.681 11.811 ( 0.802 1.824 -0.337) 2.021 12.362 ( -6.047 -7.211 -3.415) 10.011 12.804 ( -1.780 5.259 -2.443) 6.066 12.935 ( -0.399 -2.259 -3.258) 3.985 13.327 ( 4.897 2.535 1.970) 5.856 13.773 ( -4.016 -9.115 1.334) 10.049 14.178 ( 3.060 -0.560 4.339) 5.338 ======================= Grid point 357 (159/462) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 8.736 9.495 2.719) 13.186 3.566 ( -0.879 -6.321 0.755) 6.426 3.834 ( 0.268 2.878 -5.661) 6.356 4.696 ( -4.563 -25.028 3.147) 25.634 5.625 ( -11.845 2.891 13.164) 17.943 6.118 ( 3.387 -0.229 -0.703) 3.467 7.179 ( -1.386 -15.811 5.606) 16.833 7.375 ( -10.038 -8.301 15.094) 19.937 8.860 ( 3.862 8.513 -13.384) 16.325 9.143 ( -2.399 22.725 -0.794) 22.865 11.724 ( 8.222 2.139 1.302) 8.595 11.817 ( 2.831 0.375 0.213) 2.864 12.363 ( -2.678 -6.190 -6.070) 9.074 12.641 ( -2.807 7.695 -7.774) 11.293 12.984 ( -0.356 -5.258 0.704) 5.316 13.359 ( 5.052 4.227 2.678) 7.110 13.858 ( -3.552 -7.999 1.782) 8.932 14.239 ( 1.879 0.525 4.588) 4.986 ======================= Grid point 358 (160/462) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 6.377 11.111 6.017) 14.154 3.546 ( -4.302 9.174 0.573) 10.149 3.785 ( 1.583 -9.861 -14.133) 17.305 5.045 ( -1.763 -25.263 4.971) 25.808 5.263 ( -13.157 27.998 6.767) 31.666 6.279 ( 2.991 -5.597 5.576) 8.447 7.332 ( -7.043 1.470 7.171) 10.159 7.495 ( -6.664 -15.209 12.657) 20.878 8.698 ( -4.922 7.551 -5.533) 10.576 8.863 ( 4.127 8.863 -5.898) 11.418 11.799 ( 5.954 1.288 2.575) 6.614 11.872 ( 5.502 -0.393 -0.350) 5.527 12.390 ( -0.448 -6.170 -7.303) 9.571 12.442 ( -0.609 8.262 -8.419) 11.811 13.062 ( -1.138 -6.370 0.830) 6.524 13.365 ( 4.620 6.035 2.275) 7.934 13.924 ( -3.197 -5.476 1.820) 6.597 14.272 ( 0.528 1.564 4.745) 5.024 ======================= Grid point 359 (161/462) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 0.141 14.881 9.003) 17.393 3.311 ( -2.340 10.893 -9.174) 14.433 3.896 ( -0.107 -13.557 -7.191) 15.347 4.714 ( -13.608 34.547 8.905) 38.183 5.394 ( 1.287 -21.230 2.309) 21.393 6.337 ( -2.856 6.998 10.039) 12.566 7.112 ( -9.851 19.148 9.174) 23.406 7.698 ( -4.435 -9.538 8.178) 13.324 8.508 ( 0.748 5.196 -6.182) 8.110 8.949 ( 1.490 -17.638 -4.052) 18.159 11.872 ( 4.863 2.070 3.729) 6.469 11.930 ( 4.385 -0.237 -2.082) 4.860 12.266 ( 0.421 4.719 -7.991) 9.290 12.460 ( 3.296 -5.247 -5.289) 8.147 13.140 ( -1.348 -6.596 0.184) 6.734 13.336 ( 3.783 7.371 1.124) 8.361 13.955 ( -2.720 -2.509 1.584) 4.026 14.274 ( -0.775 2.780 4.672) 5.491 ======================= Grid point 360 (162/462) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -9.494 20.142 8.565) 23.858 3.119 ( 3.572 7.860 -9.442) 12.795 4.021 ( -4.802 -5.410 -2.673) 7.712 4.135 ( -10.758 29.278 12.057) 33.441 5.680 ( 4.388 -13.646 -0.760) 14.354 6.074 ( -12.871 35.735 24.593) 45.249 6.855 ( -6.090 4.159 -0.806) 7.419 7.712 ( -6.530 5.736 9.315) 12.740 8.545 ( 7.563 -11.168 -11.315) 17.606 9.251 ( 0.984 -24.168 -0.950) 24.207 11.832 ( 1.120 8.076 -2.632) 8.567 12.006 ( 3.229 -3.898 0.205) 5.066 12.235 ( 5.298 0.265 -1.828) 5.611 12.541 ( 2.575 -5.458 -3.539) 6.996 13.210 ( -0.553 -4.699 -0.498) 4.758 13.276 ( 2.833 6.486 -0.661) 7.108 13.951 ( -2.024 0.070 1.220) 2.364 14.239 ( -2.014 4.308 4.181) 6.332 ======================= Grid point 361 (163/462) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -12.848 22.945 8.728) 27.708 3.027 ( 4.526 7.984 -3.929) 9.983 3.522 ( -14.587 35.013 17.333) 41.702 4.207 ( 1.428 -10.795 -0.011) 10.889 5.450 ( -17.185 52.448 34.876) 65.287 5.868 ( 2.732 -6.268 -1.319) 6.963 6.799 ( -2.640 -5.452 -8.267) 10.249 7.580 ( -7.684 7.532 8.760) 13.875 8.781 ( 9.345 -17.426 -11.365) 22.807 9.582 ( 2.296 -21.345 -2.301) 21.591 11.703 ( -0.037 7.571 -3.097) 8.180 12.075 ( 1.193 -2.587 -1.880) 3.413 12.344 ( 7.016 -3.743 3.180) 8.564 12.612 ( -0.564 -4.738 -1.013) 4.878 13.180 ( 3.060 7.207 -2.395) 8.188 13.292 ( 0.347 -4.806 -1.830) 5.155 13.924 ( -1.160 1.804 0.713) 2.260 14.163 ( -3.291 5.822 3.304) 7.459 ======================= Grid point 362 (164/462) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -4.645 19.795 17.227) 26.650 2.829 ( -14.538 24.605 22.432) 36.332 3.148 ( 1.883 14.701 4.579) 15.513 4.377 ( 3.055 -5.113 3.164) 6.744 4.757 ( -17.676 52.496 45.165) 71.471 5.906 ( -2.027 -1.193 -4.460) 5.042 6.776 ( 2.208 -1.687 -13.606) 13.887 7.484 ( -8.796 -0.252 8.474) 12.216 9.062 ( 8.957 -17.474 -10.710) 22.366 9.843 ( 3.181 -15.188 -6.184) 16.704 11.594 ( -0.822 5.316 -0.357) 5.391 12.090 ( 0.334 -1.248 -3.256) 3.503 12.526 ( 6.238 -6.090 4.547) 9.833 12.626 ( -5.762 -2.350 1.040) 6.309 13.102 ( 3.336 6.012 -4.837) 8.407 13.344 ( 0.959 -3.613 -2.715) 4.620 13.887 ( -0.221 2.581 0.118) 2.593 14.046 ( -4.643 6.665 2.250) 8.429 ======================= Grid point 363 (165/462) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 8.568 8.678 27.297) 29.897 2.478 ( -20.238 22.411 41.112) 51.010 3.091 ( 4.343 5.979 3.092) 8.011 4.022 ( -24.374 45.315 47.975) 70.350 4.688 ( 14.259 -0.445 12.008) 18.647 5.792 ( -8.426 1.596 -8.402) 12.006 6.708 ( 4.980 2.435 -16.296) 17.213 7.482 ( -8.118 -5.503 7.234) 12.186 9.320 ( 7.682 -15.219 -10.082) 19.806 9.977 ( 2.706 -7.222 -10.707) 13.195 11.538 ( -1.685 2.191 3.797) 4.696 12.079 ( -0.150 -0.573 -3.779) 3.825 12.551 ( -9.055 0.868 1.640) 9.244 12.706 ( 4.537 -5.589 3.334) 7.933 13.021 ( 0.862 4.874 -4.373) 6.604 13.372 ( 1.007 -1.820 -3.726) 4.267 13.855 ( 0.775 2.392 -0.152) 2.519 13.906 ( -5.466 6.010 1.456) 8.253 ======================= Grid point 366 (166/462) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 8.483 -0.000 12.297) 14.940 2.632 ( -9.641 0.000 28.792) 30.363 3.453 ( -22.749 0.000 50.639) 55.514 3.704 ( 2.926 -0.000 19.905) 20.119 4.613 ( -11.968 0.000 -23.305) 26.198 6.329 ( 9.864 -0.000 -0.092) 9.865 6.463 ( 18.237 -0.000 3.516) 18.573 7.428 ( -9.669 0.000 8.620) 12.954 9.607 ( 7.417 -0.000 -11.559) 13.734 9.808 ( 4.652 -0.000 -15.743) 16.416 11.724 ( 1.648 -0.000 8.196) 8.360 11.955 ( 0.326 -0.000 -3.589) 3.604 12.083 ( -9.589 0.000 4.459) 10.575 12.955 ( 0.938 -0.000 0.227) 0.965 12.976 ( 2.114 -0.000 -1.916) 2.853 13.287 ( 1.072 -0.000 -4.164) 4.300 13.585 ( -5.402 0.000 0.461) 5.422 13.972 ( 4.182 -0.000 3.114) 5.214 ======================= Grid point 367 (167/462) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 11.694 0.275 6.175) 13.227 2.811 ( -7.003 -12.876 22.046) 26.474 3.547 ( -15.596 -3.175 40.668) 43.671 3.956 ( -3.897 -13.107 20.221) 24.410 4.355 ( -8.542 -3.685 -17.298) 19.641 6.330 ( 4.608 -4.126 -16.542) 17.660 6.807 ( 15.456 0.040 17.708) 23.504 7.325 ( -11.679 5.216 10.159) 16.334 9.542 ( 7.421 9.108 -12.762) 17.347 9.780 ( 4.500 -2.141 -14.523) 15.354 11.766 ( 3.480 5.387 6.313) 9.000 11.910 ( -0.799 2.114 -2.198) 3.153 12.082 ( -7.034 -7.948 4.996) 11.730 12.947 ( 0.455 1.960 -2.032) 2.859 12.974 ( 0.000 -0.487 -3.154) 3.191 13.295 ( 3.433 -0.289 -1.514) 3.763 13.541 ( -5.514 -2.837 0.590) 6.229 14.060 ( 5.115 -0.675 3.990) 6.522 ======================= Grid point 368 (168/462) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 14.829 3.298 -1.127) 15.233 3.061 ( -5.627 -15.128 14.133) 21.454 3.723 ( -6.233 -4.927 29.687) 30.731 4.115 ( -5.840 -14.177 -14.902) 21.381 4.423 ( -10.024 -21.011 25.724) 34.694 6.347 ( 4.951 -5.970 -16.947) 18.637 7.037 ( 5.226 2.732 14.485) 15.639 7.163 ( -12.940 5.396 12.592) 18.844 9.388 ( 6.879 11.814 -13.996) 19.565 9.741 ( 3.381 2.606 -11.154) 11.943 11.768 ( 3.628 5.055 3.734) 7.256 11.879 ( 2.475 2.721 0.068) 3.679 12.142 ( -6.865 -8.099 3.020) 11.038 12.901 ( -0.492 0.311 -4.450) 4.488 12.936 ( -0.565 2.962 -2.737) 4.072 13.351 ( 4.957 -0.518 0.281) 4.992 13.544 ( -5.007 -6.190 1.395) 8.082 14.163 ( 5.379 -0.396 4.356) 6.933 ======================= Grid point 369 (169/462) ======================= q-point: ( 0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 13.361 8.096 -1.226) 15.670 3.272 ( -1.203 -13.012 1.805) 13.192 3.933 ( 0.453 -2.261 23.296) 23.409 4.117 ( -6.309 -13.307 -13.358) 19.883 4.897 ( -11.213 -36.028 27.341) 46.597 6.336 ( 3.209 1.538 -13.819) 14.270 6.987 ( -8.352 3.047 10.568) 13.810 7.173 ( -6.869 -3.346 13.631) 15.626 9.193 ( 5.816 12.989 -15.075) 20.732 9.622 ( 1.337 10.183 -6.619) 12.218 11.778 ( 2.727 1.663 1.343) 3.465 11.883 ( 5.382 4.464 0.943) 7.056 12.182 ( -4.722 -6.829 0.420) 8.313 12.827 ( -1.776 4.452 -7.256) 8.696 12.891 ( 0.280 -0.455 -0.323) 0.624 13.423 ( 5.489 0.299 1.099) 5.606 13.608 ( -4.269 -8.894 2.500) 10.177 14.253 ( 4.569 0.642 4.115) 6.182 ======================= Grid point 370 (170/462) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 12.236 9.984 2.300) 15.959 3.423 ( 1.009 -10.416 -3.623) 11.074 3.914 ( -2.320 9.779 -4.639) 11.069 4.330 ( -3.628 -23.565 11.140) 26.317 5.432 ( -8.315 -29.657 20.239) 36.855 6.169 ( -1.087 10.977 -6.651) 12.880 7.022 ( -3.658 -9.404 6.127) 11.805 7.219 ( -12.902 -8.084 13.856) 20.586 8.962 ( 3.922 13.390 -15.756) 21.046 9.400 ( -0.290 17.965 -2.236) 18.106 11.796 ( 0.269 -0.735 0.008) 0.783 11.910 ( 7.711 2.917 -0.342) 8.252 12.235 ( -0.115 -5.083 -0.637) 5.124 12.670 ( -0.898 7.586 -7.844) 10.949 12.918 ( -0.688 -3.482 0.230) 3.556 13.484 ( 5.473 2.082 1.263) 5.990 13.708 ( -3.753 -9.386 3.129) 10.582 14.310 ( 2.869 1.601 3.609) 4.881 ======================= Grid point 371 (171/462) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 11.077 12.878 6.865) 18.321 3.547 ( -0.137 -9.453 -1.466) 9.567 3.648 ( -5.960 11.074 -11.804) 17.248 4.724 ( 1.087 -24.125 9.017) 25.777 5.539 ( -8.576 17.391 10.300) 21.956 6.138 ( -1.740 -14.534 -1.164) 14.684 7.200 ( -1.878 -14.161 5.120) 15.174 7.299 ( -15.016 -12.380 17.480) 26.159 8.711 ( 0.860 11.271 -13.544) 17.642 9.111 ( 0.523 20.957 -1.028) 20.989 11.818 ( -0.106 -3.356 -0.890) 3.474 11.978 ( 7.981 1.616 -0.437) 8.155 12.289 ( 1.170 -2.419 -3.654) 4.536 12.515 ( 2.904 7.664 -6.293) 10.333 12.967 ( -1.959 -5.283 0.790) 5.690 13.510 ( 4.848 4.508 0.598) 6.647 13.808 ( -3.317 -7.844 3.224) 9.106 14.331 ( 0.875 1.970 3.257) 3.906 ======================= Grid point 372 (172/462) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 4.388 20.493 10.671) 23.518 3.342 ( -4.176 8.767 -11.017) 14.686 3.686 ( 0.554 -11.674 -2.300) 11.911 5.034 ( -6.068 10.648 7.587) 14.414 5.222 ( 2.265 -0.783 5.131) 5.663 6.270 ( -6.821 -10.159 -0.560) 12.250 7.285 ( -6.407 6.994 9.702) 13.568 7.490 ( -8.366 -19.244 13.710) 25.066 8.535 ( -1.415 2.930 -4.838) 5.830 8.877 ( 3.456 10.078 -5.353) 11.923 11.877 ( 0.489 -5.524 -1.117) 5.657 12.019 ( 4.378 4.306 -1.763) 6.389 12.257 ( 2.294 1.263 -6.901) 7.381 12.489 ( 7.129 2.376 -1.682) 7.700 13.028 ( -2.438 -6.649 1.031) 7.156 13.483 ( 3.605 6.747 -0.682) 7.680 13.883 ( -2.753 -5.174 2.958) 6.565 14.324 ( -0.875 2.241 3.051) 3.886 ======================= Grid point 373 (173/462) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -6.570 26.501 8.435) 28.576 3.196 ( 4.224 4.788 -6.859) 9.371 3.863 ( 2.641 -11.389 1.817) 11.831 4.558 ( -10.464 35.559 10.401) 38.498 5.544 ( 8.836 -16.572 -0.520) 18.787 6.257 ( -11.976 -3.412 4.361) 13.194 7.003 ( -9.166 26.708 9.840) 29.902 7.694 ( -6.503 -8.102 10.337) 14.656 8.496 ( 4.746 0.619 -4.875) 6.832 8.939 ( 1.796 -18.192 -3.350) 18.585 11.910 ( -1.306 5.128 -4.278) 6.804 11.968 ( 2.274 -3.365 -4.262) 5.887 12.287 ( 5.886 -0.851 -0.064) 5.948 12.546 ( 5.945 0.475 -0.946) 6.039 13.106 ( -1.654 -7.202 0.654) 7.418 13.406 ( 2.118 7.817 -2.141) 8.378 13.924 ( -2.007 -2.272 2.494) 3.925 14.288 ( -2.253 3.203 2.636) 4.721 ======================= Grid point 374 (174/462) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -6.957 25.142 9.628) 27.807 3.157 ( 4.783 5.631 -2.262) 7.726 3.962 ( -7.050 29.960 13.084) 33.444 4.143 ( 3.471 -3.418 6.515) 8.135 5.794 ( 6.220 -6.781 -5.471) 10.706 6.098 ( -12.463 23.243 23.317) 35.203 6.618 ( -9.217 8.000 -2.520) 12.462 7.667 ( -7.346 7.500 8.521) 13.521 8.614 ( 9.400 -11.703 -9.357) 17.688 9.264 ( 0.738 -25.129 -0.543) 25.146 11.764 ( -0.681 6.804 -6.299) 9.297 12.017 ( -0.028 -4.318 -4.125) 5.971 12.396 ( 5.239 -2.538 3.975) 7.049 12.598 ( 3.278 0.205 0.569) 3.333 13.190 ( -0.236 -6.221 -0.668) 6.261 13.298 ( 0.843 6.972 -3.463) 7.830 13.934 ( -1.118 0.208 1.894) 2.210 14.214 ( -3.443 4.920 1.858) 6.286 ======================= Grid point 375 (175/462) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -0.002 18.013 15.962) 24.068 3.094 ( -0.896 11.637 7.825) 14.052 3.491 ( -6.880 29.932 13.854) 33.692 4.407 ( 10.112 -7.113 8.088) 14.774 5.588 ( -10.893 48.350 35.177) 60.776 5.820 ( -4.709 1.583 -6.693) 8.336 6.588 ( -0.010 -12.815 -12.073) 17.606 7.499 ( -7.911 8.832 7.149) 13.845 8.866 ( 9.255 -16.309 -9.746) 21.133 9.590 ( 1.209 -20.726 -2.606) 20.924 11.632 ( -1.223 4.737 -4.691) 6.778 12.029 ( -1.105 -3.180 -4.482) 5.606 12.519 ( 0.884 -3.108 5.469) 6.352 12.627 ( 2.449 0.879 2.474) 3.590 13.169 ( 0.030 5.613 -4.850) 7.419 13.278 ( 0.625 -4.790 -2.046) 5.246 13.922 ( -0.120 1.873 1.262) 2.262 14.094 ( -4.501 6.692 0.973) 8.123 ======================= Grid point 376 (176/462) ======================= q-point: (-0.08 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 7.022 7.404 20.388) 22.800 2.874 ( -12.526 25.507 32.613) 43.256 3.264 ( 3.132 9.740 2.901) 10.634 4.532 ( -4.647 18.645 18.432) 26.627 5.160 ( 2.497 28.459 34.394) 44.711 5.649 ( -6.726 2.752 -11.027) 13.206 6.660 ( 6.172 -3.921 -16.441) 17.994 7.381 ( -8.891 -0.070 8.260) 12.136 9.131 ( 8.174 -15.963 -9.749) 20.412 9.810 ( 1.988 -12.653 -6.597) 14.407 11.549 ( -1.748 1.320 -1.084) 2.444 12.022 ( -1.460 -2.467 -4.261) 5.136 12.508 ( -5.854 3.949 4.863) 8.574 12.724 ( 4.308 -3.866 3.673) 6.855 13.061 ( -0.476 4.662 -4.162) 6.267 13.324 ( 0.822 -3.077 -3.626) 4.827 13.902 ( 0.559 2.562 0.871) 2.763 13.942 ( -4.667 7.203 0.471) 8.596 ======================= Grid point 380 (177/462) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 15.951 -0.000 0.996) 15.982 2.754 ( -9.059 0.000 21.866) 23.668 3.581 ( -22.289 0.000 47.134) 52.139 3.898 ( -3.677 0.000 -12.153) 12.697 4.230 ( 1.060 -0.000 9.640) 9.698 6.239 ( 4.956 -0.000 -17.114) 17.817 7.057 ( 5.661 -0.000 15.465) 16.469 7.285 ( -12.885 0.000 10.777) 16.798 9.632 ( 7.956 -0.000 -12.064) 14.451 9.690 ( 4.564 -0.000 -17.032) 17.633 11.906 ( -0.863 0.000 -3.852) 3.948 11.911 ( 5.112 -0.000 6.443) 8.225 11.970 ( -6.346 0.000 8.248) 10.407 12.899 ( -1.734 0.000 -7.511) 7.709 12.984 ( 1.437 -0.000 -0.591) 1.554 13.341 ( 4.710 -0.000 0.326) 4.721 13.456 ( -5.735 0.000 0.927) 5.809 14.157 ( 6.475 -0.000 4.545) 7.911 ======================= Grid point 381 (178/462) ======================= q-point: ( 0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -1.456 -9.517 12.820) 16.032 2.941 ( 10.929 -0.501 0.004) 10.940 3.708 ( -16.174 -8.144 35.633) 39.970 3.774 ( -6.137 -9.646 -10.558) 15.562 4.396 ( 1.898 -2.147 20.172) 20.374 6.219 ( 5.896 -4.467 -16.656) 18.224 7.152 ( -6.876 0.934 12.558) 14.348 7.166 ( -11.392 4.491 11.025) 16.477 9.517 ( 6.426 9.896 -15.592) 19.553 9.707 ( 5.634 -2.952 -12.892) 14.376 11.834 ( -1.914 2.387 -1.213) 3.291 11.992 ( -2.656 -0.774 7.564) 8.054 12.020 ( 4.259 -1.231 3.846) 5.869 12.831 ( -0.815 -0.642 -7.890) 7.958 12.978 ( 0.910 2.470 -1.183) 2.885 13.395 ( 1.016 -0.908 0.848) 1.605 13.436 ( -1.386 -3.399 1.929) 4.146 14.271 ( 6.985 0.426 4.268) 8.197 ======================= Grid point 382 (179/462) ======================= q-point: ( 0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 9.279 4.254 -0.239) 10.211 3.104 ( 2.152 -12.548 3.619) 13.236 3.743 ( -6.436 -13.820 -7.780) 17.115 4.034 ( -4.449 -12.854 27.959) 31.092 4.605 ( -5.122 -11.929 22.996) 26.407 6.262 ( 6.845 -5.470 -15.236) 17.576 6.994 ( -13.490 6.051 12.075) 19.089 7.120 ( -12.630 -0.577 9.843) 16.023 9.327 ( 5.930 12.147 -16.538) 21.359 9.693 ( 4.375 3.140 -9.306) 10.752 11.781 ( -2.548 -0.226 -2.408) 3.513 11.998 ( -1.187 1.568 4.710) 5.104 12.129 ( 5.482 -1.102 4.808) 7.375 12.785 ( 0.297 -0.091 -7.389) 7.395 12.925 ( 0.219 4.041 -1.403) 4.283 13.439 ( -2.087 -6.060 1.766) 6.648 13.508 ( 2.467 -2.564 2.430) 4.308 14.363 ( 6.056 1.867 3.159) 7.081 ======================= Grid point 383 (180/462) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 9.454 4.515 3.377) 11.008 3.284 ( 3.366 -8.612 -4.077) 10.105 3.802 ( -6.988 -8.794 -5.841) 12.661 4.278 ( 3.073 -2.830 19.126) 19.577 5.000 ( -9.445 -33.622 22.307) 41.440 6.257 ( 3.641 5.747 -9.954) 12.057 6.902 ( -8.062 -4.602 8.075) 12.304 7.031 ( -18.331 -4.248 11.553) 22.080 9.096 ( 5.202 14.250 -16.868) 22.685 9.589 ( 2.514 10.818 -5.051) 12.200 11.739 ( -3.419 -2.142 -3.545) 5.370 12.014 ( 3.453 1.086 2.158) 4.215 12.238 ( 4.348 -0.830 4.214) 6.112 12.712 ( 1.481 4.889 -6.757) 8.471 12.884 ( -0.359 0.214 -0.884) 0.978 13.528 ( -0.306 -6.538 1.388) 6.690 13.591 ( 0.980 -3.379 3.442) 4.921 14.405 ( 3.898 3.269 1.806) 5.399 ======================= Grid point 384 (181/462) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 11.265 6.536 6.296) 14.466 3.393 ( 1.812 -8.734 -5.483) 10.471 3.653 ( -9.293 10.468 -2.603) 14.238 4.562 ( 5.420 -15.417 11.168) 19.793 5.475 ( -8.739 -25.676 14.511) 30.761 6.058 ( -1.441 12.973 -5.460) 14.149 6.994 ( -21.527 -13.624 17.095) 30.680 7.040 ( -0.213 -13.738 3.933) 14.291 8.832 ( 4.389 15.435 -15.953) 22.628 9.387 ( 1.157 17.866 -1.630) 17.977 11.723 ( -2.058 -4.674 -4.068) 6.529 12.075 ( 5.548 0.370 0.672) 5.600 12.294 ( 1.734 1.026 -0.018) 2.015 12.630 ( 5.357 6.247 -3.688) 9.018 12.887 ( -1.905 -2.856 -0.005) 3.432 13.598 ( 2.929 -0.038 -0.695) 3.011 13.684 ( -2.523 -7.507 4.843) 9.283 14.398 ( 1.296 3.529 0.982) 3.885 ======================= Grid point 385 (182/462) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 6.083 20.736 9.719) 23.695 3.298 ( -6.949 6.236 -9.152) 13.074 3.564 ( 3.275 -9.887 3.255) 10.912 4.950 ( 7.179 -19.170 5.442) 21.181 5.472 ( -8.185 19.588 8.678) 22.935 5.972 ( -6.524 -11.776 -7.517) 15.419 7.155 ( -17.916 -23.846 22.520) 37.373 7.263 ( 0.723 -10.835 4.725) 11.842 8.583 ( 3.818 11.618 -12.248) 17.308 9.121 ( 1.352 20.443 -1.171) 20.522 11.761 ( -0.518 -6.957 -4.283) 8.186 12.100 ( 2.189 4.098 -3.166) 5.622 12.288 ( 4.081 0.843 -1.297) 4.365 12.625 ( 7.401 4.608 -0.748) 8.750 12.919 ( -2.843 -5.445 1.501) 6.323 13.588 ( 2.117 4.387 -2.234) 5.359 13.791 ( -2.489 -7.107 4.536) 8.791 14.362 ( -0.913 2.791 0.940) 3.083 ======================= Grid point 386 (183/462) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( -9.267 25.816 3.235) 27.618 3.268 ( 3.914 2.836 -1.897) 5.192 3.824 ( 9.881 -9.455 8.584) 16.147 4.978 ( -7.214 30.068 8.174) 31.983 5.422 ( 8.914 -17.726 0.536) 19.849 5.956 ( -13.429 -10.449 -6.328) 18.154 7.287 ( -5.755 10.564 11.759) 16.822 7.480 ( -8.187 -20.501 13.948) 26.113 8.505 ( 3.435 -2.953 -3.910) 5.984 8.885 ( 3.079 11.635 -4.656) 12.904 11.824 ( -0.656 -6.551 -4.521) 7.987 11.987 ( 0.141 6.398 -7.574) 9.916 12.364 ( 6.313 -0.564 2.519) 6.820 12.649 ( 5.782 3.453 -0.098) 6.736 12.990 ( -1.997 -7.216 1.966) 7.741 13.502 ( 0.254 6.762 -3.773) 7.747 13.876 ( -1.712 -4.580 3.929) 6.272 14.312 ( -2.377 2.563 1.083) 3.660 ======================= Grid point 387 (184/462) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -7.515 22.482 6.504) 24.581 3.258 ( 3.290 3.180 -1.183) 4.726 4.171 ( 14.496 -7.981 12.266) 20.598 4.476 ( -8.303 35.635 10.341) 38.023 5.744 ( 8.650 -6.462 -7.966) 13.418 5.912 ( -14.651 -19.882 0.179) 24.698 6.976 ( -6.186 33.233 13.444) 36.379 7.666 ( -7.970 -5.539 10.908) 14.601 8.582 ( 7.031 -1.281 -4.610) 8.505 8.939 ( 1.569 -19.246 -2.635) 19.489 11.789 ( -1.436 5.119 -6.928) 8.733 11.911 ( -0.496 -4.069 -6.463) 7.653 12.472 ( 5.499 -0.611 4.792) 7.320 12.672 ( 3.728 2.265 1.378) 4.575 13.087 ( -0.706 -7.423 0.554) 7.477 13.365 ( -1.497 7.165 -4.769) 8.736 13.929 ( -0.828 -1.770 3.210) 3.758 14.242 ( -3.335 3.785 0.843) 5.114 ======================= Grid point 388 (185/462) ======================= q-point: (-0.15 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -2.535 14.567 11.027) 18.444 3.249 ( 3.205 4.205 2.219) 5.734 3.960 ( -7.784 35.416 13.373) 38.649 4.546 ( 14.348 -5.507 13.492) 20.451 5.674 ( -6.838 -1.079 -10.893) 12.906 6.129 ( -3.496 -6.474 9.392) 11.930 6.515 ( -1.449 29.505 9.347) 30.984 7.592 ( -8.004 9.152 7.810) 14.451 8.720 ( 9.161 -10.937 -8.609) 16.663 9.270 ( 0.321 -24.815 -0.394) 24.820 11.641 ( -1.550 5.238 -7.059) 8.926 11.921 ( -1.621 -4.543 -5.206) 7.098 12.571 ( 2.974 0.297 6.389) 7.054 12.694 ( 2.289 1.656 2.565) 3.816 13.166 ( -0.571 -3.183 -3.097) 4.477 13.225 ( -1.733 2.569 -3.584) 4.738 13.952 ( 0.073 0.569 2.475) 2.541 14.134 ( -3.991 5.904 0.372) 7.136 ======================= Grid point 389 (186/462) ======================= q-point: (-0.08 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 2.734 4.930 13.022) 14.190 3.244 ( 0.729 10.100 14.542) 17.720 3.527 ( -5.074 25.814 11.296) 28.630 4.783 ( 4.150 4.379 12.093) 13.514 5.468 ( -10.892 10.059 -9.045) 17.367 5.942 ( 2.301 28.980 31.177) 42.628 6.516 ( 7.016 -10.987 -12.996) 18.407 7.400 ( -8.303 9.492 7.350) 14.597 8.950 ( 8.494 -14.805 -9.395) 19.483 9.576 ( 0.867 -19.112 -2.965) 19.360 11.530 ( -1.159 1.855 -4.375) 4.891 11.924 ( -1.888 -3.815 -4.283) 6.038 12.578 ( -2.420 6.619 6.862) 9.836 12.744 ( 2.531 -2.455 2.281) 4.199 13.077 ( -1.193 3.435 -4.275) 5.613 13.254 ( 0.205 -4.580 -3.102) 5.535 13.947 ( -0.762 3.119 1.253) 3.447 13.998 ( -2.588 6.438 0.820) 6.987 ======================= Grid point 394 (187/462) ======================= q-point: ( 0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -8.640 0.000 18.164) 20.114 3.109 ( 13.229 -0.000 -3.886) 13.788 3.547 ( -2.648 0.000 -15.335) 15.562 3.732 ( -14.276 0.000 42.163) 44.514 4.572 ( 3.888 -0.000 18.267) 18.676 6.149 ( 6.993 -0.000 -16.412) 17.839 7.112 ( -13.832 0.000 8.621) 16.299 7.114 ( -13.683 0.000 11.808) 18.073 9.571 ( 5.557 -0.000 -17.149) 18.027 9.653 ( 7.671 -0.000 -12.412) 14.591 11.781 ( -4.246 0.000 -4.728) 6.355 11.987 ( -5.021 0.000 13.572) 14.471 12.151 ( 8.386 -0.000 2.641) 8.792 12.772 ( 1.022 -0.000 -7.594) 7.662 12.996 ( 0.965 -0.000 -2.172) 2.377 13.346 ( -5.105 0.000 2.757) 5.802 13.468 ( 4.200 -0.000 1.129) 4.349 14.392 ( 7.535 -0.000 3.153) 8.168 ======================= Grid point 395 (188/462) ======================= q-point: ( 0.38 0.31 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -6.445 -11.351 12.896) 18.349 3.204 ( 6.475 0.481 0.694) 6.530 3.491 ( -1.290 -6.670 -7.007) 9.759 3.976 ( -4.181 -12.603 33.271) 35.823 4.696 ( 0.182 3.409 15.473) 15.845 6.166 ( 8.241 -5.220 -16.223) 18.930 6.951 ( -19.544 0.893 8.886) 21.488 7.008 ( -13.524 2.733 10.594) 17.396 9.442 ( 6.617 9.816 -16.855) 20.597 9.690 ( 6.489 -2.204 -11.625) 13.495 11.699 ( -4.459 -0.763 -4.292) 6.236 12.026 ( -3.829 -0.126 11.917) 12.518 12.255 ( 7.151 1.260 2.581) 7.706 12.749 ( 2.454 -0.329 -6.453) 6.912 12.967 ( 0.835 3.028 -2.880) 4.261 13.339 ( -4.125 -4.092 4.018) 7.064 13.534 ( 3.250 -1.653 1.095) 3.807 14.483 ( 6.379 1.747 1.169) 6.716 ======================= Grid point 396 (189/462) ======================= q-point: ( 0.46 0.31 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -2.231 -11.184 6.848) 13.303 3.266 ( 0.982 -1.064 0.619) 1.575 3.614 ( 4.087 -10.478 0.735) 11.271 4.376 ( 2.040 -12.769 23.588) 26.900 4.729 ( -7.570 -5.129 14.578) 17.208 6.242 ( 7.743 -5.523 -15.531) 18.212 6.762 ( -21.928 -1.069 10.991) 24.551 6.886 ( -11.254 1.439 10.387) 15.382 9.243 ( 6.770 13.421 -17.107) 22.773 9.685 ( 4.942 3.302 -8.493) 10.367 11.639 ( -3.323 -1.618 -3.593) 5.154 12.068 ( -0.759 -0.511 7.855) 7.908 12.323 ( 3.598 1.340 2.443) 4.550 12.740 ( 3.197 1.049 -4.921) 5.961 12.909 ( 1.250 3.913 -2.577) 4.849 13.410 ( -3.161 -7.648 4.842) 9.588 13.603 ( 2.314 -2.260 0.833) 3.340 14.509 ( 3.867 3.758 -0.924) 5.471 ======================= Grid point 397 (190/462) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( -3.542 -1.920 2.326) 4.652 3.287 ( 2.087 -10.492 2.856) 11.072 3.761 ( 6.794 6.266 3.304) 9.815 4.549 ( 0.358 -3.775 9.085) 9.845 5.051 ( -6.950 -30.803 16.163) 35.474 6.202 ( 1.689 9.100 -9.125) 12.998 6.637 ( -23.721 -10.178 14.663) 29.686 6.912 ( -2.052 -9.075 7.088) 11.696 9.004 ( 6.707 15.757 -16.793) 23.985 9.592 ( 3.061 10.765 -4.634) 12.113 11.619 ( -1.048 -2.977 -3.332) 4.589 12.132 ( 2.062 -1.162 3.598) 4.306 12.329 ( -0.330 1.914 0.601) 2.033 12.741 ( 5.076 2.126 -1.957) 5.841 12.862 ( 0.558 2.352 -1.593) 2.895 13.527 ( -2.164 -8.634 4.693) 10.063 13.656 ( 0.964 -1.625 0.322) 1.917 14.467 ( 0.963 4.586 -2.128) 5.147 ======================= Grid point 398 (191/462) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( -4.824 1.211 -1.349) 5.154 3.430 ( -4.232 -0.447 0.570) 4.294 3.706 ( 11.555 11.325 11.795) 20.023 4.786 ( 2.445 -19.508 4.370) 20.140 5.403 ( -7.750 -17.095 5.821) 19.652 5.949 ( -0.468 17.698 -5.808) 18.632 6.722 ( -22.179 -24.836 23.015) 40.477 7.134 ( 2.888 -14.144 4.021) 14.985 8.750 ( 6.799 15.948 -15.329) 23.142 9.401 ( 1.683 17.581 -1.604) 17.734 11.649 ( 0.918 -4.758 -3.679) 6.084 12.143 ( 0.211 3.683 -3.910) 5.376 12.331 ( 1.794 -1.699 3.109) 3.971 12.768 ( 6.284 4.034 -0.557) 7.488 12.844 ( -1.472 -1.984 0.835) 2.608 13.613 ( -0.258 -0.861 -1.402) 1.666 13.701 ( -1.731 -6.005 4.362) 7.621 14.390 ( -1.356 3.609 -1.852) 4.278 ======================= Grid point 399 (192/462) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( -10.985 17.338 -0.063) 20.525 3.328 ( -0.114 3.178 -0.534) 3.224 3.969 ( 15.215 -5.408 14.855) 21.941 5.135 ( 0.702 -21.321 2.608) 21.491 5.337 ( -12.085 12.839 6.028) 18.634 5.734 ( 2.295 4.158 -11.162) 12.130 7.064 ( -16.003 -30.976 23.860) 42.249 7.362 ( 1.158 -7.980 5.372) 9.690 8.551 ( 6.946 9.208 -11.850) 16.536 9.142 ( 1.660 20.504 -1.040) 20.598 11.709 ( 1.348 -5.450 -4.112) 6.959 12.013 ( -1.821 6.397 -7.594) 10.095 12.437 ( 4.414 -2.882 4.170) 6.721 12.763 ( 3.633 4.307 0.221) 5.639 12.899 ( -0.403 -5.110 2.178) 5.569 13.542 ( -1.849 4.685 -4.941) 7.056 13.813 ( -1.253 -6.444 5.364) 8.477 14.316 ( -2.634 2.224 -0.755) 3.529 ======================= Grid point 400 (193/462) ======================= q-point: (-0.23 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -10.234 18.420 2.800) 21.257 3.312 ( 2.061 1.241 -0.256) 2.419 4.368 ( 16.760 -7.079 16.083) 24.283 4.916 ( -6.677 30.590 6.909) 32.063 5.409 ( -16.049 -22.949 -0.850) 28.017 5.727 ( 11.303 -3.947 -9.730) 15.428 7.329 ( -5.188 7.727 13.533) 16.425 7.472 ( -7.628 -15.714 12.372) 21.406 8.560 ( 5.384 -7.876 -4.789) 10.675 8.902 ( 3.277 13.480 -3.904) 14.412 11.759 ( 0.511 -2.869 -4.020) 4.965 11.842 ( -2.350 4.811 -8.907) 10.393 12.557 ( 4.653 -1.858 4.316) 6.613 12.757 ( 2.440 2.847 1.903) 4.205 12.987 ( -0.355 -6.248 1.106) 6.355 13.390 ( -3.544 6.301 -5.945) 9.360 13.910 ( -0.409 -3.816 4.690) 6.060 14.248 ( -3.220 2.439 -0.062) 4.040 ======================= Grid point 401 (194/462) ======================= q-point: (-0.15 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -6.128 11.628 5.675) 14.317 3.335 ( 3.596 1.004 1.484) 4.017 4.415 ( -8.502 30.745 9.072) 33.164 4.782 ( 15.275 -0.765 14.994) 21.418 5.422 ( -9.850 -11.707 -7.524) 17.050 5.937 ( 5.353 -13.968 -4.065) 15.501 7.072 ( -1.809 30.919 14.206) 34.075 7.610 ( -8.902 -2.846 10.719) 14.221 8.690 ( 7.406 -1.695 -5.584) 9.429 8.941 ( 1.246 -19.739 -2.177) 19.898 11.648 ( -1.783 6.095 -7.416) 9.763 11.809 ( -0.614 -4.238 -4.494) 6.208 12.656 ( 3.558 -0.652 4.556) 5.817 12.761 ( 1.069 2.580 2.444) 3.711 13.071 ( -0.517 -6.063 -1.102) 6.183 13.219 ( -3.840 5.157 -5.193) 8.265 13.973 ( 0.324 -1.038 3.883) 4.032 14.162 ( -3.494 4.278 0.109) 5.525 ======================= Grid point 402 (195/462) ======================= q-point: (-0.08 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -0.494 2.847 6.851) 7.435 3.394 ( 4.276 0.538 4.616) 6.316 3.952 ( -7.857 30.895 11.925) 34.036 4.916 ( -1.288 4.550 3.587) 5.935 5.461 ( 4.273 1.055 -0.747) 4.464 6.138 ( -2.580 -15.019 1.508) 15.314 6.740 ( 4.506 29.868 14.266) 33.406 7.502 ( -8.271 10.171 8.036) 15.377 8.814 ( 8.696 -9.836 -9.237) 16.053 9.265 ( -0.307 -24.052 -0.701) 24.065 11.523 ( -0.023 3.145 -5.325) 6.185 11.826 ( -0.961 -3.538 -3.336) 4.956 12.695 ( -1.675 6.528 5.226) 8.528 12.746 ( 0.871 -1.500 0.087) 1.736 13.064 ( -1.436 1.294 -4.604) 4.993 13.170 ( -0.161 -4.493 -1.227) 4.661 13.990 ( -1.102 3.159 1.910) 3.852 14.059 ( -1.509 4.497 1.533) 4.986 ======================= Grid point 408 (196/462) ======================= q-point: ( 0.38 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -8.159 0.000 16.027) 17.984 3.245 ( -3.315 0.000 8.427) 9.055 3.432 ( 2.413 -0.000 0.452) 2.455 4.104 ( 5.359 -0.000 24.410) 24.991 4.812 ( -2.306 0.000 10.976) 11.216 6.107 ( 7.294 -0.000 -17.394) 18.861 6.740 ( -21.885 0.000 7.458) 23.121 6.959 ( -12.188 0.000 11.659) 16.867 9.493 ( 7.274 -0.000 -16.561) 18.088 9.660 ( 7.306 -0.000 -12.728) 14.676 11.618 ( -3.169 0.000 -3.088) 4.424 12.060 ( -4.959 0.000 12.939) 13.857 12.349 ( 4.494 -0.000 1.229) 4.659 12.746 ( 3.941 -0.000 -5.420) 6.701 12.983 ( 1.790 -0.000 -3.390) 3.834 13.294 ( -3.716 0.000 5.404) 6.558 13.560 ( 2.051 -0.000 0.706) 2.169 14.566 ( 4.923 -0.000 -1.517) 5.151 ======================= Grid point 409 (197/462) ======================= q-point: ( 0.46 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( -6.731 -10.948 12.663) 18.042 3.250 ( -5.775 0.220 9.137) 10.811 3.583 ( 6.172 -9.459 9.357) 14.667 4.408 ( 7.659 -8.997 19.854) 23.104 4.763 ( -7.857 6.819 6.211) 12.116 6.086 ( -0.315 -6.881 -16.316) 17.711 6.574 ( -14.352 -1.236 8.224) 16.588 6.873 ( -10.470 3.078 11.226) 15.656 9.385 ( 7.950 10.572 -16.731) 21.328 9.690 ( 6.625 -2.268 -11.483) 13.449 11.581 ( -0.801 -0.312 -1.340) 1.592 12.089 ( -4.636 -1.158 10.804) 11.813 12.378 ( 0.846 1.232 -0.005) 1.495 12.762 ( 4.351 0.304 -4.071) 5.966 12.967 ( 2.845 3.013 -2.818) 5.011 13.327 ( -2.863 -4.404 6.475) 8.337 13.595 ( 0.893 -1.941 0.104) 2.139 14.574 ( 2.207 2.388 -4.053) 5.196 ======================= Grid point 410 (198/462) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( -6.059 -13.625 10.313) 18.130 3.242 ( -2.643 -0.603 5.318) 5.969 3.916 ( 10.842 -9.158 11.383) 18.193 4.539 ( -13.181 7.005 3.374) 15.303 4.804 ( 4.246 -17.102 16.195) 23.933 6.054 ( -11.022 -11.538 -7.696) 17.715 6.495 ( -7.568 4.814 7.276) 11.549 6.843 ( -3.329 -4.104 8.572) 10.069 9.189 ( 8.275 14.607 -16.958) 23.863 9.691 ( 5.140 3.017 -8.412) 10.309 11.584 ( 1.476 -0.273 -0.431) 1.562 12.137 ( -2.573 -3.033 7.043) 8.088 12.338 ( -2.605 2.020 -0.849) 3.404 12.789 ( 4.254 0.204 -2.139) 4.766 12.934 ( 3.185 4.635 -1.747) 5.889 13.428 ( -1.970 -7.374 6.938) 10.314 13.628 ( -0.389 -2.441 -1.018) 2.673 14.504 ( -0.643 3.888 -5.382) 6.671 ======================= Grid point 411 (199/462) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( -7.315 -0.440 7.349) 10.378 3.348 ( 0.175 -7.299 1.883) 7.540 4.054 ( 4.029 12.328 7.995) 15.236 4.509 ( -6.887 -19.763 6.357) 21.873 5.175 ( 2.982 -15.692 6.541) 17.260 6.044 ( -8.150 -5.920 -0.985) 10.121 6.374 ( -13.799 -1.249 15.173) 20.548 7.017 ( 3.411 -12.164 4.143) 13.295 8.958 ( 8.551 16.354 -16.504) 24.758 9.605 ( 3.382 10.381 -4.835) 11.940 11.616 ( 2.943 -0.901 -0.899) 3.206 12.152 ( -1.665 2.514 -3.403) 4.546 12.311 ( -3.085 -4.408 5.552) 7.731 12.830 ( 3.294 -0.404 -0.180) 3.324 12.896 ( 3.092 4.979 -0.713) 5.904 13.556 ( -1.238 -5.858 3.707) 7.042 13.637 ( -1.946 -3.213 0.121) 3.758 14.394 ( -2.570 3.408 -4.741) 6.380 ======================= Grid point 412 (200/462) ======================= q-point: (-0.31 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -10.867 10.847 1.525) 15.430 3.355 ( -0.923 2.206 0.830) 2.531 4.143 ( 7.047 -8.422 11.735) 16.072 4.767 ( -8.641 -19.561 6.802) 22.440 5.348 ( 1.533 -2.566 -1.433) 3.315 5.908 ( 3.638 14.811 -4.607) 15.932 6.576 ( -17.478 -31.741 25.484) 44.299 7.265 ( 2.975 -12.833 3.362) 13.595 8.731 ( 8.897 15.255 -15.220) 23.314 9.423 ( 2.191 17.114 -2.032) 17.373 11.663 ( 3.127 -1.837 -1.959) 4.122 12.014 ( -3.409 5.809 -7.127) 9.806 12.426 ( -0.492 -7.425 5.884) 9.486 12.849 ( 0.828 3.020 2.030) 3.732 12.893 ( 4.005 0.173 -0.498) 4.039 13.521 ( -3.381 2.467 -5.618) 7.005 13.745 ( -0.836 -7.672 6.769) 10.265 14.296 ( -3.223 1.645 -2.699) 4.514 ======================= Grid point 413 (201/462) ======================= q-point: (-0.23 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -12.076 15.347 -0.353) 19.532 3.356 ( 1.735 0.798 2.682) 3.292 4.531 ( 12.115 -15.183 12.551) 23.127 4.868 ( -18.796 -13.757 1.744) 23.357 5.270 ( -1.042 13.721 4.873) 14.598 5.805 ( 11.316 5.204 -8.370) 15.006 7.032 ( -12.872 -33.253 21.915) 41.854 7.453 ( -0.215 -5.613 5.895) 8.143 8.574 ( 8.539 7.096 -12.572) 16.773 9.174 ( 2.283 20.256 -1.274) 20.424 11.709 ( 2.181 -2.289 -2.757) 4.195 11.831 ( -3.552 6.485 -7.554) 10.571 12.560 ( 0.542 -6.782 3.419) 7.614 12.834 ( 1.068 2.899 2.618) 4.049 12.944 ( 2.059 -1.909 0.284) 2.822 13.373 ( -4.548 4.924 -6.520) 9.351 13.880 ( -0.028 -5.700 6.338) 8.524 14.228 ( -3.250 0.951 -1.014) 3.534 ======================= Grid point 414 (202/462) ======================= q-point: (-0.15 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -8.043 9.996 1.228) 12.888 3.400 ( 2.983 0.267 3.455) 4.572 4.627 ( -13.060 11.939 0.152) 17.695 5.050 ( 2.324 -26.139 4.714) 26.662 5.128 ( 5.273 13.693 11.119) 18.411 5.858 ( 5.706 -2.567 -6.542) 9.052 7.398 ( -7.242 -13.753 14.470) 21.236 7.467 ( -3.354 5.384 9.608) 11.513 8.613 ( 5.165 -10.402 -6.531) 13.324 8.939 ( 3.942 14.775 -3.500) 15.688 11.654 ( -2.417 5.265 -7.192) 9.235 11.745 ( 1.369 -1.649 -2.141) 3.030 12.664 ( 0.343 -5.253 0.618) 5.301 12.820 ( 0.086 2.916 0.859) 3.041 13.002 ( 0.801 -3.407 1.033) 3.649 13.206 ( -3.836 5.245 -4.640) 7.985 13.984 ( 0.552 -2.865 5.506) 6.231 14.165 ( -3.200 2.131 -0.181) 3.848 ======================= Grid point 415 (203/462) ======================= q-point: (-0.08 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -1.838 1.955 2.590) 3.729 3.467 ( 2.948 -0.523 4.419) 5.338 4.247 ( -10.580 19.092 -0.171) 21.828 4.991 ( -3.343 9.307 2.432) 10.184 5.544 ( 14.447 -12.816 9.132) 21.362 5.889 ( -5.909 -7.921 -2.662) 10.234 7.263 ( 1.809 24.517 11.307) 27.059 7.532 ( -9.547 -1.536 10.521) 14.290 8.780 ( 6.861 -2.677 -6.655) 9.927 8.932 ( 0.354 -18.259 -2.390) 18.418 11.540 ( 1.058 3.252 -4.668) 5.786 11.767 ( 0.571 -1.810 -1.730) 2.568 12.709 ( -2.083 -0.930 -4.274) 4.845 12.757 ( -2.063 1.388 -0.008) 2.487 13.042 ( 0.090 1.608 -1.013) 1.903 13.125 ( 0.182 -2.025 1.042) 2.285 14.032 ( -1.117 2.360 2.817) 3.841 14.101 ( -1.066 1.835 2.195) 3.053 ======================= Grid point 422 (204/462) ======================= q-point: ( 0.46 0.46 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -8.666 0.000 15.362) 17.638 3.254 ( -8.845 0.000 15.535) 17.876 3.676 ( 7.902 -0.000 15.067) 17.013 4.585 ( 9.650 -0.000 15.589) 18.334 4.726 ( -11.541 0.000 0.961) 11.581 5.854 ( -11.773 0.000 -11.404) 16.391 6.517 ( -0.284 0.000 2.523) 2.539 6.849 ( -9.536 0.000 10.858) 14.451 9.460 ( 8.745 -0.000 -16.376) 18.565 9.660 ( 7.262 -0.000 -12.708) 14.636 11.590 ( 2.266 -0.000 1.113) 2.524 12.082 ( -6.929 0.000 11.053) 13.045 12.374 ( -1.829 0.000 -2.026) 2.730 12.796 ( 4.896 -0.000 -3.303) 5.906 13.010 ( 3.319 -0.000 -2.207) 3.986 13.315 ( -2.074 0.000 7.811) 8.082 13.581 ( -0.429 0.000 -0.765) 0.877 14.564 ( -0.451 0.000 -6.690) 6.705 ======================= Grid point 423 (205/462) ======================= q-point: (-0.46 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( -8.204 -11.007 13.558) 19.295 3.252 ( -7.388 0.244 13.994) 15.826 3.979 ( 8.505 -10.270 18.957) 23.177 4.486 ( -15.343 8.942 -3.014) 18.012 4.834 ( 5.260 -6.392 16.000) 18.015 5.688 ( -14.237 -8.806 -6.044) 17.798 6.551 ( 3.880 2.461 -1.073) 4.718 6.822 ( -5.065 -1.401 9.458) 10.820 9.363 ( 9.352 11.407 -16.653) 22.246 9.693 ( 6.718 -2.613 -11.385) 13.475 11.637 ( 4.216 1.351 2.479) 5.074 12.093 ( -6.437 -3.308 9.716) 12.115 12.307 ( -4.171 1.471 -3.369) 5.560 12.835 ( 4.993 0.294 -2.137) 5.439 13.015 ( 2.781 2.865 -1.375) 4.223 13.382 ( -1.221 -4.057 8.562) 9.553 13.572 ( -1.734 -1.864 -2.196) 3.362 14.477 ( -2.890 1.898 -7.810) 8.541 ======================= Grid point 424 (206/462) ======================= q-point: (-0.38 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -7.990 -9.445 10.734) 16.379 3.288 ( -2.877 -4.503 8.793) 10.289 4.106 ( -20.485 5.343 -1.961) 21.261 4.377 ( 9.268 -8.396 15.738) 20.102 5.101 ( -0.008 -11.294 14.895) 18.693 5.686 ( -11.457 -16.987 1.267) 20.529 6.472 ( -0.520 10.600 1.369) 10.701 6.939 ( 2.816 -9.052 4.063) 10.314 9.175 ( 9.778 15.325 -16.687) 24.677 9.701 ( 5.420 2.695 -8.618) 10.531 11.680 ( 4.395 2.550 2.313) 5.582 12.126 ( -3.114 0.072 -0.363) 3.136 12.223 ( -6.720 -4.044 3.880) 8.750 12.880 ( 4.808 0.458 -0.860) 4.905 12.985 ( 1.814 4.153 -0.552) 4.566 13.497 ( -1.063 -4.731 4.982) 6.952 13.558 ( -2.682 -3.608 -0.612) 4.537 14.351 ( -4.065 2.046 -6.724) 8.119 ======================= Grid point 425 (207/462) ======================= q-point: (-0.31 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -10.689 6.483 2.570) 12.762 3.375 ( -1.293 -1.272 4.608) 4.953 3.947 ( -13.824 -17.413 4.739) 22.733 4.637 ( 0.890 -5.285 11.886) 13.038 5.311 ( -0.871 -7.632 6.372) 9.980 5.903 ( -4.496 -20.151 7.721) 22.043 6.342 ( -2.441 5.029 7.486) 9.342 7.148 ( 2.976 -11.897 2.076) 12.438 8.959 ( 10.058 16.496 -16.172) 25.195 9.623 ( 4.008 9.904 -5.445) 11.992 11.708 ( 3.888 2.302 1.074) 4.644 11.992 ( -4.645 5.003 -6.609) 9.501 12.319 ( -3.973 -9.546 7.015) 12.495 12.914 ( 2.131 2.153 1.377) 3.328 12.954 ( 2.825 2.376 -1.137) 3.862 13.456 ( -3.931 0.830 -6.209) 7.396 13.681 ( -0.366 -7.836 8.445) 11.526 14.244 ( -3.879 0.603 -4.102) 5.678 ======================= Grid point 426 (208/462) ======================= q-point: (-0.23 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -12.411 13.451 -2.666) 18.495 3.404 ( -0.154 -0.337 5.384) 5.396 4.213 ( -10.812 -30.146 6.411) 32.661 4.735 ( -0.932 -1.561 5.999) 6.268 5.381 ( -3.430 -0.983 7.121) 7.965 6.001 ( 8.242 8.962 -5.127) 13.211 6.575 ( -9.123 -30.147 20.745) 37.715 7.357 ( 0.694 -11.973 3.815) 12.585 8.751 ( 9.886 14.838 -15.340) 23.520 9.453 ( 3.079 16.501 -2.814) 17.020 11.722 ( 2.436 2.049 -1.157) 3.387 11.821 ( -3.692 4.862 -5.431) 8.171 12.447 ( -3.021 -9.437 3.097) 10.382 12.900 ( -0.035 2.862 2.977) 4.130 12.964 ( 2.607 0.419 -2.321) 3.516 13.335 ( -3.472 3.272 -5.677) 7.416 13.843 ( 0.232 -6.972 8.020) 10.629 14.181 ( -3.322 -0.478 -1.844) 3.830 ======================= Grid point 427 (209/462) ======================= q-point: (-0.15 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -8.362 9.380 -1.444) 12.649 3.451 ( 0.369 -1.007 4.663) 4.785 4.416 ( -15.905 -12.961 0.579) 20.526 4.822 ( 0.876 -11.004 1.008) 11.085 5.434 ( 3.966 1.642 14.691) 15.306 5.910 ( 3.964 8.742 -6.201) 11.428 7.028 ( -9.792 -30.082 15.895) 35.404 7.538 ( -0.343 -6.603 8.256) 10.577 8.601 ( 8.235 6.841 -13.470) 17.207 9.218 ( 2.921 19.719 -1.820) 20.017 11.642 ( -1.862 3.921 -5.271) 6.828 11.762 ( 2.048 1.511 -0.440) 2.583 12.539 ( -3.074 -8.461 -1.773) 9.175 12.854 ( -1.320 3.990 -2.616) 4.950 12.990 ( 1.095 -2.403 1.682) 3.131 13.221 ( -1.119 4.898 -2.071) 5.434 13.983 ( 0.640 -4.736 7.141) 8.592 14.139 ( -3.051 0.031 -0.601) 3.110 ======================= Grid point 428 (210/462) ======================= q-point: (-0.08 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -2.253 2.075 0.715) 3.145 3.504 ( -0.300 -2.022 4.481) 4.926 4.244 ( -9.430 6.504 -8.242) 14.112 5.001 ( -5.874 -11.219 7.012) 14.475 5.620 ( 10.758 1.975 2.542) 11.229 5.804 ( -3.411 -0.948 5.395) 6.453 7.341 ( -10.686 -18.766 11.549) 24.489 7.587 ( 0.342 9.595 8.579) 12.876 8.625 ( 3.674 -11.019 -7.238) 13.686 8.983 ( 3.298 15.591 -3.831) 16.390 11.568 ( 1.922 1.959 -2.913) 4.002 11.770 ( 2.019 0.764 -0.229) 2.171 12.582 ( -3.285 -6.942 -5.772) 9.607 12.730 ( -3.258 4.189 -6.548) 8.429 13.077 ( 2.292 -2.850 3.972) 5.399 13.143 ( 0.104 4.334 0.679) 4.388 14.062 ( -1.626 1.415 2.739) 3.486 14.113 ( -0.514 -1.560 3.574) 3.933 ======================= Grid point 436 (211/462) ======================= q-point: (-0.46 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( -10.198 0.000 15.596) 18.634 3.253 ( -9.851 0.000 16.552) 19.262 4.126 ( -1.465 0.000 16.374) 16.439 4.355 ( -6.285 0.000 -1.923) 6.573 4.915 ( -9.711 0.000 24.499) 26.354 5.453 ( -2.077 0.000 -11.297) 11.486 6.632 ( 8.801 -0.000 -6.161) 10.743 6.806 ( -5.683 0.000 10.155) 11.637 9.465 ( 10.531 -0.000 -16.483) 19.560 9.660 ( 6.998 -0.000 -12.264) 14.120 11.739 ( 6.096 -0.000 3.963) 7.271 12.047 ( -8.099 0.000 11.205) 13.825 12.228 ( -5.431 0.000 -5.430) 7.680 12.886 ( 5.082 -0.000 -1.674) 5.350 13.056 ( 1.921 -0.000 -0.999) 2.165 13.408 ( -0.520 0.000 9.701) 9.714 13.509 ( -2.971 0.000 -3.871) 4.880 14.384 ( -4.594 0.000 -8.491) 9.654 ======================= Grid point 437 (212/462) ======================= q-point: (-0.38 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( -9.589 -11.534 13.806) 20.386 3.252 ( -9.266 -1.709 13.697) 16.625 3.901 ( -21.986 5.653 -4.704) 23.183 4.534 ( 9.417 -1.834 16.382) 18.985 4.962 ( -24.658 -12.018 32.490) 42.521 5.480 ( 11.666 -5.846 -12.869) 18.327 6.615 ( 4.223 7.963 -4.295) 9.985 6.882 ( 0.707 -6.996 5.006) 8.632 9.380 ( 10.893 12.343 -16.300) 23.167 9.701 ( 6.887 -3.127 -11.259) 13.563 11.810 ( 4.795 4.061 4.463) 7.707 12.077 ( -5.199 -5.112 9.589) 12.046 12.102 ( -7.162 0.749 -5.472) 9.044 12.935 ( 4.703 0.037 -1.426) 4.915 13.047 ( 0.788 2.818 -0.405) 2.954 13.440 ( -3.486 -0.984 -5.029) 6.197 13.504 ( -0.371 -4.016 9.491) 10.312 14.263 ( -4.907 0.540 -7.064) 8.618 ======================= Grid point 438 (213/462) ======================= q-point: (-0.31 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( -9.015 -0.338 4.502) 10.082 3.293 ( -7.688 -10.709 7.796) 15.316 3.585 ( -20.032 -5.266 3.225) 20.962 4.684 ( -3.720 -1.158 14.317) 14.838 5.127 ( -18.412 -15.703 25.929) 35.467 5.700 ( 12.088 -13.752 -4.010) 18.744 6.508 ( 4.164 10.169 -2.357) 11.238 7.042 ( 1.727 -9.554 2.488) 10.023 9.200 ( 10.789 16.007 -15.993) 25.068 9.719 ( 6.167 2.415 -8.930) 11.118 11.822 ( 2.923 4.571 4.201) 6.862 11.940 ( -6.026 3.510 -6.687) 9.661 12.190 ( -4.090 -8.440 7.849) 12.230 12.966 ( 2.277 0.917 -1.695) 2.983 13.006 ( 0.465 3.050 -0.220) 3.093 13.371 ( -2.869 -0.499 -5.924) 6.601 13.645 ( 0.070 -6.278 10.009) 11.815 14.165 ( -4.090 -0.399 -4.475) 6.076 ======================= Grid point 439 (214/462) ======================= q-point: (-0.23 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -12.028 12.055 -3.987) 17.490 3.377 ( -4.881 -5.497 3.491) 8.138 3.707 ( -14.588 -28.457 12.028) 34.165 4.745 ( -2.020 -1.972 7.453) 7.970 5.230 ( -18.517 -12.199 17.208) 28.068 6.034 ( 5.787 -13.721 1.114) 14.933 6.452 ( 5.139 2.916 2.965) 6.611 7.224 ( 0.798 -11.599 4.107) 12.331 8.988 ( 10.158 16.974 -15.641) 25.217 9.653 ( 5.042 9.595 -6.033) 12.405 11.774 ( -4.432 4.625 -5.303) 8.316 11.823 ( 2.198 3.314 2.510) 4.702 12.299 ( -3.944 -8.228 3.359) 9.723 12.952 ( -0.820 1.694 2.957) 3.505 12.963 ( 0.154 1.558 -6.122) 6.319 13.312 ( -0.169 1.410 -3.287) 3.581 13.809 ( 0.293 -7.028 9.433) 11.767 14.112 ( -3.203 -1.487 -2.297) 4.213 ======================= Grid point 440 (215/462) ======================= q-point: (-0.15 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -8.439 8.831 -2.420) 12.452 3.406 ( -4.982 -5.473 1.029) 7.473 4.010 ( -13.369 -25.057 12.061) 30.855 4.740 ( 0.337 1.970 -7.549) 7.810 5.379 ( -12.687 -20.140 22.301) 32.618 6.078 ( 2.390 9.946 -4.569) 11.203 6.669 ( -1.752 -19.790 9.893) 22.194 7.445 ( 0.505 -12.806 7.754) 14.979 8.770 ( 8.939 15.397 -15.306) 23.478 9.493 ( 3.597 16.287 -3.367) 17.016 11.645 ( -1.821 3.460 -3.267) 5.095 11.822 ( 2.606 2.945 1.220) 4.118 12.363 ( -4.263 -7.732 -1.918) 9.035 12.858 ( -1.860 4.266 -6.922) 8.341 12.981 ( 0.226 -2.535 3.491) 4.320 13.275 ( 1.396 3.544 -0.805) 3.893 13.969 ( 0.428 -6.177 8.430) 10.460 14.087 ( -2.816 -1.460 -0.991) 3.323 ======================= Grid point 441 (216/462) ======================= q-point: (-0.08 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -3.379 2.231 0.759) 4.119 3.428 ( -5.224 -6.761 -0.414) 8.554 4.158 ( -6.064 -3.018 1.916) 7.040 4.705 ( -8.025 -14.821 -2.825) 17.089 5.734 ( -3.370 -16.976 15.690) 23.360 5.856 ( 0.973 15.410 -0.362) 15.444 6.981 ( -8.141 -23.029 9.769) 26.307 7.654 ( -0.969 -6.842 9.190) 11.498 8.595 ( 6.758 7.500 -13.554) 16.901 9.252 ( 1.839 20.155 -2.157) 20.353 11.604 ( 2.589 0.975 -0.564) 2.824 11.824 ( 2.909 2.344 0.501) 3.769 12.390 ( -3.802 -7.598 -5.941) 10.368 12.713 ( -1.969 5.528 -8.092) 9.995 13.073 ( 1.688 -4.844 4.501) 6.824 13.227 ( 1.011 5.329 0.124) 5.425 14.059 ( -2.695 0.203 0.229) 2.713 14.103 ( 0.328 -4.557 6.868) 8.249 ======================= Grid point 450 (217/462) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -12.770 0.000 16.625) 20.963 3.208 ( -11.348 0.000 12.870) 17.159 3.619 ( -22.250 0.000 -9.348) 24.134 4.710 ( -36.217 0.000 37.111) 51.854 4.800 ( 11.444 -0.000 19.044) 22.217 5.537 ( 16.501 -0.000 -13.985) 21.630 6.693 ( 6.427 -0.000 -12.552) 14.101 6.871 ( -0.390 0.000 10.251) 10.259 9.521 ( 12.723 -0.000 -16.225) 20.619 9.658 ( 6.412 -0.000 -11.652) 13.300 11.947 ( 5.416 -0.000 4.048) 6.762 11.953 ( -10.415 0.000 -0.685) 10.437 12.051 ( -3.698 0.000 6.039) 7.081 12.971 ( 3.165 -0.000 -2.845) 4.256 13.070 ( -0.091 0.000 -0.256) 0.271 13.349 ( -2.935 0.000 -5.846) 6.541 13.549 ( 0.182 -0.000 10.849) 10.850 14.161 ( -4.629 0.000 -5.820) 7.436 ======================= Grid point 451 (218/462) ======================= q-point: (-0.31 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -11.615 -13.364 14.253) 22.730 3.100 ( -16.707 3.317 3.795) 17.451 3.320 ( -16.945 -4.163 -2.206) 17.588 4.571 ( -34.920 -7.038 37.523) 51.739 5.057 ( 4.317 -0.347 15.909) 16.488 5.675 ( 12.988 -7.530 -10.941) 18.576 6.637 ( 5.839 4.630 -10.347) 12.751 6.990 ( 1.914 -4.746 8.016) 9.510 9.434 ( 11.105 13.850 -15.265) 23.413 9.721 ( 7.773 -4.116 -11.281) 14.304 11.810 ( -8.838 -0.170 -4.289) 9.825 11.977 ( 2.161 5.362 4.614) 7.397 12.116 ( -2.017 -4.817 7.736) 9.333 12.960 ( -0.096 0.044 -5.977) 5.978 13.043 ( -1.003 2.433 0.315) 2.651 13.308 ( 0.439 -1.069 -3.568) 3.751 13.652 ( 0.209 -3.344 10.894) 11.397 14.079 ( -3.667 -0.664 -3.945) 5.427 ======================= Grid point 452 (219/462) ======================= q-point: (-0.23 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -12.294 10.812 -4.919) 17.095 3.116 ( -13.408 -22.250 8.795) 27.426 3.294 ( -13.717 -15.463 7.518) 21.995 4.597 ( -29.559 -17.395 36.062) 49.767 5.075 ( -3.717 6.881 3.362) 8.513 5.906 ( 5.284 -14.032 -2.621) 15.221 6.598 ( 8.339 4.382 -7.151) 11.827 7.150 ( 2.265 -6.681 8.540) 11.077 9.240 ( 9.774 16.948 -14.963) 24.631 9.757 ( 7.240 2.347 -9.063) 11.834 11.691 ( -6.424 -0.743 -4.512) 7.885 11.956 ( 2.312 6.274 5.019) 8.360 12.192 ( -3.001 -4.314 4.029) 6.622 12.905 ( -0.877 -0.649 -7.786) 7.862 12.992 ( -2.016 2.889 1.758) 3.937 13.322 ( 2.593 -0.032 -1.587) 3.040 13.792 ( 0.068 -5.586 10.264) 11.686 14.035 ( -2.786 -1.751 -2.340) 4.037 ======================= Grid point 453 (220/462) ======================= q-point: (-0.15 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -9.760 7.582 -2.152) 12.545 3.197 ( -8.695 -10.165 -3.309) 13.780 3.555 ( -15.148 -30.314 15.564) 37.291 4.774 ( -1.643 0.936 1.708) 2.548 4.958 ( -26.283 -21.499 25.156) 42.259 6.065 ( -3.381 -6.328 -0.885) 7.228 6.633 ( 8.936 -0.029 -2.772) 9.356 7.353 ( 1.524 -9.716 9.836) 13.909 9.005 ( 8.520 17.852 -14.832) 24.724 9.698 ( 5.422 10.003 -6.066) 12.894 11.622 ( -2.475 -0.968 -2.231) 3.470 11.932 ( 2.915 5.898 3.123) 7.283 12.220 ( -3.567 -4.086 -0.526) 5.450 12.836 ( -0.210 2.298 -8.312) 8.627 12.973 ( -1.483 -1.450 4.108) 4.602 13.332 ( 2.469 2.048 -1.081) 3.385 13.942 ( -0.245 -6.358 8.713) 10.789 14.022 ( -2.270 -2.264 -0.842) 3.315 ======================= Grid point 454 (221/462) ======================= q-point: (-0.08 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -6.926 1.598 1.833) 7.340 3.207 ( -6.318 -10.113 -5.970) 13.336 3.899 ( -13.420 -28.249 15.382) 34.853 4.538 ( -3.774 10.537 -12.931) 17.102 5.399 ( -14.998 -38.224 28.555) 50.014 5.977 ( -6.758 7.151 -0.237) 9.842 6.772 ( 3.976 -7.740 1.627) 8.852 7.569 ( -1.438 -10.628 9.733) 14.483 8.760 ( 7.486 16.320 -14.601) 23.142 9.526 ( 2.776 17.466 -3.179) 17.969 11.634 ( 2.157 -1.991 0.806) 3.044 11.912 ( 3.452 4.428 0.959) 5.696 12.224 ( -2.568 -4.694 -4.008) 6.685 12.722 ( -0.260 5.546 -7.358) 9.218 13.048 ( 0.708 -5.347 3.857) 6.631 13.305 ( 1.422 4.183 -0.985) 4.526 14.012 ( -2.398 -2.024 -0.402) 3.164 14.087 ( -0.332 -5.364 7.684) 9.377 ======================= Grid point 464 (222/462) ======================= q-point: (-0.31 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -21.346 0.000 20.997) 29.942 3.000 ( -13.277 0.000 -11.612) 17.639 3.022 ( -15.148 0.000 5.677) 16.177 4.321 ( -42.809 0.000 46.467) 63.180 5.279 ( 7.661 -0.000 15.459) 17.253 5.627 ( 5.568 -0.000 -17.231) 18.108 6.646 ( 6.129 -0.000 -12.428) 13.857 7.075 ( 4.583 -0.000 11.072) 11.983 9.624 ( 13.500 -0.000 -15.558) 20.599 9.648 ( 5.694 -0.000 -10.914) 12.310 11.664 ( -8.896 0.000 -3.979) 9.745 12.085 ( 1.677 -0.000 2.822) 3.283 12.111 ( -1.547 0.000 10.293) 10.408 12.893 ( -1.639 0.000 -8.548) 8.704 13.045 ( -1.957 0.000 0.392) 1.996 13.308 ( 3.245 -0.000 -1.461) 3.559 13.708 ( -0.010 0.000 11.020) 11.020 14.009 ( -2.902 0.000 -3.074) 4.227 ======================= Grid point 465 (223/462) ======================= q-point: (-0.23 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -24.024 -6.055 8.770) 26.282 2.759 ( -10.372 -5.644 7.270) 13.867 2.968 ( -13.115 -10.681 -3.246) 17.222 4.210 ( -43.541 -12.800 49.710) 67.310 5.256 ( 1.374 16.388 -3.351) 16.784 5.715 ( 1.000 -15.700 -3.200) 16.054 6.657 ( 8.198 -0.425 -10.124) 13.034 7.221 ( 4.943 -0.867 11.451) 12.503 9.478 ( 8.695 15.039 -13.465) 21.979 9.770 ( 9.160 -4.562 -11.385) 15.308 11.558 ( -6.593 -2.192 -2.867) 7.516 12.090 ( 1.194 3.345 3.958) 5.318 12.168 ( -1.231 0.127 6.807) 6.918 12.826 ( -0.314 -1.185 -8.293) 8.383 13.006 ( -2.811 1.848 1.142) 3.553 13.348 ( 3.601 -0.365 -1.211) 3.817 13.801 ( -0.498 -3.008 10.369) 10.808 13.968 ( -2.205 -1.212 -2.211) 3.350 ======================= Grid point 466 (224/462) ======================= q-point: (-0.15 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -15.075 4.288 0.189) 15.674 2.921 ( -6.620 -11.184 -2.325) 13.203 3.010 ( -19.885 -31.065 11.996) 38.786 4.338 ( -39.017 -30.087 48.783) 69.336 4.952 ( -2.869 16.422 -11.285) 20.131 5.899 ( -2.682 -10.577 2.103) 11.113 6.709 ( 9.301 -1.020 -8.602) 12.710 7.373 ( 2.669 -2.370 11.897) 12.421 9.254 ( 7.756 17.824 -13.494) 23.663 9.817 ( 7.660 2.982 -8.554) 11.864 11.531 ( -3.059 -4.607 -1.161) 5.650 12.079 ( 2.010 5.016 3.419) 6.394 12.171 ( -0.809 1.624 2.533) 3.116 12.803 ( 2.010 -0.895 -7.246) 7.573 12.959 ( -3.413 0.257 2.901) 4.487 13.375 ( 2.772 0.921 -1.661) 3.360 13.912 ( -1.209 -4.503 6.997) 8.408 13.961 ( -1.646 -2.911 0.658) 3.408 ======================= Grid point 467 (225/462) ======================= q-point: (-0.08 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -15.221 -0.770 2.516) 15.446 2.955 ( -2.075 -10.089 -9.050) 13.711 3.350 ( -19.692 -35.010 16.520) 43.433 4.602 ( -6.164 12.892 -8.558) 16.656 4.780 ( -26.286 -43.421 38.929) 63.967 5.943 ( -4.657 -0.368 1.757) 4.991 6.793 ( 8.616 -2.335 -6.015) 10.764 7.509 ( -1.897 -4.717 11.246) 12.342 8.998 ( 7.372 18.599 -13.479) 24.124 9.747 ( 5.269 11.637 -5.316) 13.836 11.591 ( 0.254 -6.592 0.326) 6.605 12.049 ( 3.110 6.467 2.272) 7.527 12.161 ( 0.917 0.284 -0.775) 1.234 12.756 ( 1.328 4.709 -5.390) 7.279 12.994 ( -0.552 -5.922 2.588) 6.487 13.363 ( 1.627 2.899 -1.994) 3.877 13.948 ( -1.803 -2.697 -0.554) 3.291 14.051 ( -1.396 -5.861 7.381) 9.527 ======================= Grid point 478 (226/462) ======================= q-point: (-0.23 -0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -28.931 0.000 24.018) 37.602 2.589 ( -22.804 0.000 -2.781) 22.973 2.742 ( -1.334 0.000 -4.865) 5.044 3.925 ( -47.808 0.000 55.735) 73.430 5.306 ( -8.054 0.000 -19.864) 21.434 5.615 ( 5.057 -0.000 11.368) 12.442 6.680 ( 7.920 -0.000 -9.550) 12.407 7.363 ( 5.064 -0.000 11.274) 12.359 9.631 ( 4.911 -0.000 -10.197) 11.318 9.738 ( 12.732 -0.000 -13.832) 18.799 11.454 ( -5.087 0.000 -0.678) 5.132 12.116 ( -0.736 0.000 1.156) 1.371 12.251 ( 1.699 -0.000 9.338) 9.491 12.762 ( 0.956 -0.000 -7.767) 7.826 12.988 ( -3.365 0.000 1.004) 3.512 13.380 ( 3.392 -0.000 -1.496) 3.707 13.840 ( -1.329 0.000 9.804) 9.894 13.920 ( -1.666 0.000 -2.123) 2.699 ======================= Grid point 479 (227/462) ======================= q-point: (-0.15 -0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -24.929 -0.320 6.310) 25.717 2.413 ( -26.690 -24.672 13.658) 38.828 2.748 ( 0.172 -5.061 -3.383) 6.090 3.850 ( -47.076 -17.067 58.072) 76.679 4.986 ( -8.145 9.895 -15.387) 20.025 5.799 ( 2.179 -6.622 7.294) 10.089 6.720 ( 7.406 -2.041 -9.838) 12.482 7.484 ( 2.451 0.829 11.216) 11.510 9.487 ( 6.480 14.986 -11.470) 19.954 9.853 ( 10.290 -3.491 -10.335) 14.996 11.433 ( -2.780 -3.578 1.260) 4.703 12.113 ( -0.293 0.146 0.253) 0.414 12.303 ( 3.313 5.559 7.362) 9.802 12.757 ( 2.941 -3.314 -6.088) 7.529 12.941 ( -4.029 1.454 1.731) 4.620 13.403 ( 2.544 0.346 -2.079) 3.303 13.887 ( -1.553 -1.113 1.580) 2.479 13.915 ( -1.877 -3.270 5.162) 6.392 ======================= Grid point 480 (228/462) ======================= q-point: (-0.08 -0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -26.612 -4.821 -0.563) 27.051 2.664 ( -16.724 -29.409 11.709) 35.800 2.850 ( -2.743 -12.977 4.394) 13.972 4.095 ( -38.853 -38.249 54.179) 76.863 4.660 ( -6.263 10.745 -10.631) 16.361 5.916 ( 0.182 -2.105 4.016) 4.537 6.786 ( 7.243 -4.443 -9.807) 12.976 7.547 ( -2.212 1.571 11.100) 11.426 9.254 ( 6.933 18.096 -11.828) 22.703 9.901 ( 8.547 4.932 -7.449) 12.363 11.495 ( -0.870 -6.600 1.835) 6.906 12.110 ( 0.636 0.462 -0.574) 0.974 12.294 ( 5.193 8.138 4.492) 10.648 12.807 ( 3.862 2.294 -3.417) 5.644 12.908 ( -2.632 -5.312 1.521) 6.120 13.398 ( 1.622 1.721 -2.585) 3.503 13.890 ( -1.160 -2.200 -1.023) 2.689 13.997 ( -2.606 -5.492 6.782) 9.108 ======================= Grid point 492 (229/462) ======================= q-point: (-0.15 -0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -33.493 0.000 -7.099) 34.237 2.035 ( -28.023 0.000 37.532) 46.840 2.720 ( 3.499 -0.000 -2.464) 4.279 3.554 ( -50.295 0.000 63.579) 81.068 4.832 ( -8.991 0.000 -13.916) 16.568 5.853 ( 3.530 -0.000 7.313) 8.121 6.715 ( 6.343 -0.000 -10.515) 12.280 7.583 ( -0.033 0.000 10.191) 10.191 9.606 ( 4.691 -0.000 -9.880) 10.937 9.881 ( 13.370 -0.000 -10.426) 16.955 11.397 ( -1.946 0.000 3.857) 4.320 12.112 ( 0.432 -0.000 -0.641) 0.773 12.452 ( 4.349 -0.000 8.595) 9.632 12.717 ( 2.861 -0.000 -5.888) 6.547 12.922 ( -2.961 0.000 1.700) 3.414 13.418 ( 1.968 -0.000 -2.370) 3.081 13.861 ( -0.861 0.000 -2.056) 2.229 13.907 ( -3.139 0.000 7.528) 8.156 ======================= Grid point 493 (230/462) ======================= q-point: (-0.08 -0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -33.149 -6.523 -1.394) 33.813 2.165 ( -24.946 -23.801 37.548) 50.977 2.791 ( 5.623 -3.985 -1.350) 7.022 3.555 ( -46.280 -23.109 64.327) 82.546 4.622 ( -5.570 4.836 -9.118) 11.729 5.937 ( 1.425 -0.980 3.817) 4.190 6.739 ( 6.606 -2.989 -11.209) 13.350 7.616 ( -3.639 2.114 9.392) 10.292 9.485 ( 5.951 13.934 -10.233) 18.283 9.997 ( 12.403 -0.361 -9.371) 15.549 11.434 ( -1.277 -3.444 4.892) 6.117 12.115 ( 1.076 -0.036 -1.603) 1.931 12.500 ( 4.525 6.989 5.678) 10.078 12.791 ( 2.661 -8.178 -2.390) 8.926 12.886 ( 0.493 3.766 0.875) 3.898 13.415 ( 1.410 0.810 -2.749) 3.194 13.847 ( -0.537 -1.214 -1.672) 2.135 13.938 ( -3.713 -3.566 6.025) 7.925 ======================= Grid point 506 (231/462) ======================= q-point: (-0.08 -0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -24.177 0.000 14.356) 28.118 1.998 ( -24.234 0.000 48.421) 54.147 2.838 ( 6.525 -0.000 1.539) 6.704 3.266 ( -48.663 0.000 69.851) 85.130 4.557 ( -1.113 0.000 -5.290) 5.406 5.952 ( -1.326 0.000 0.890) 1.597 6.723 ( 7.785 -0.000 -13.256) 15.373 7.634 ( -5.779 0.000 8.145) 9.987 9.591 ( 5.390 -0.000 -9.955) 11.321 10.080 ( 13.220 -0.000 -12.711) 18.339 11.437 ( -1.518 0.000 7.064) 7.225 12.114 ( 1.100 -0.000 -2.537) 2.765 12.635 ( -0.978 0.000 6.445) 6.519 12.730 ( 3.908 -0.000 -4.089) 5.657 12.948 ( 4.435 -0.000 -1.233) 4.603 13.417 ( 1.145 -0.000 -2.935) 3.150 13.822 ( 0.005 -0.000 -1.819) 1.819 13.899 ( -4.590 0.000 4.727) 6.589 ======================= Grid point 507 (232/462) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 5.020 -0.000 29.026) 29.457 2.938 ( -6.636 0.000 18.959) 20.087 3.397 ( -0.310 0.000 29.857) 29.859 4.415 ( -23.778 0.000 38.677) 45.402 4.999 ( 11.209 -0.000 30.763) 32.742 5.552 ( -17.009 0.000 -11.416) 20.485 6.253 ( 6.163 -0.000 -21.315) 22.188 7.702 ( -5.659 0.000 4.168) 7.028 9.323 ( 8.242 -0.000 -14.842) 16.977 9.700 ( 5.163 -0.000 -17.119) 17.881 11.683 ( -0.840 0.000 7.300) 7.348 11.989 ( -0.061 0.000 -4.489) 4.489 12.573 ( -10.929 0.000 3.038) 11.343 12.772 ( 5.285 -0.000 -0.218) 5.290 12.944 ( 1.082 -0.000 0.061) 1.084 13.286 ( 1.533 -0.000 -6.616) 6.792 13.814 ( 2.130 -0.000 0.334) 2.157 13.847 ( -6.151 0.000 1.231) 6.273 ======================= Grid point 508 (233/462) ======================= q-point: ( 0.08 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 1.956 -0.645 22.216) 22.311 3.053 ( -5.360 -8.738 16.457) 19.388 3.549 ( -2.405 5.600 31.130) 31.721 4.521 ( -19.062 -14.563 35.912) 43.187 5.235 ( -19.536 -1.453 -12.230) 23.094 5.469 ( 18.874 -7.384 28.660) 35.102 6.199 ( 6.221 -2.953 -21.115) 22.210 7.649 ( -4.911 2.907 4.917) 7.533 9.259 ( 7.843 8.178 -13.774) 17.836 9.650 ( 5.353 -0.635 -17.193) 18.019 11.690 ( -1.238 4.158 5.685) 7.151 11.962 ( -0.281 -0.307 -4.172) 4.193 12.488 ( -10.058 -3.099 5.086) 11.689 12.841 ( 4.724 -0.544 0.762) 4.816 12.948 ( 0.254 0.363 -0.222) 0.495 13.252 ( 1.284 0.438 -6.867) 6.999 13.803 ( -5.673 -2.860 0.783) 6.401 13.860 ( 2.593 -1.505 1.305) 3.270 ======================= Grid point 509 (234/462) ======================= q-point: ( 0.15 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -0.538 0.122 14.748) 14.758 3.242 ( -1.301 -10.781 6.890) 12.861 3.671 ( -5.975 1.338 36.087) 36.603 4.742 ( -14.079 -11.297 10.853) 21.062 5.000 ( -16.343 -13.796 1.190) 21.421 6.011 ( 18.725 -7.643 15.520) 25.493 6.220 ( 6.819 -7.425 -6.174) 11.821 7.577 ( -6.398 3.681 8.211) 11.041 9.117 ( 7.456 11.994 -12.568) 18.905 9.600 ( 6.305 1.013 -17.353) 18.491 11.629 ( -1.135 6.752 4.257) 8.062 11.917 ( -0.739 1.785 -4.193) 4.616 12.492 ( -8.195 -7.290 6.267) 12.632 12.886 ( 1.722 2.259 1.714) 3.318 12.952 ( 1.580 -1.082 -1.453) 2.404 13.214 ( 1.382 0.473 -6.493) 6.655 13.795 ( -5.422 -5.099 0.446) 7.456 13.936 ( 3.014 -2.613 2.410) 4.660 ======================= Grid point 510 (235/462) ======================= q-point: ( 0.23 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -0.970 2.065 8.026) 8.344 3.377 ( 2.091 -6.058 -2.906) 7.037 3.882 ( -8.639 -6.648 36.314) 37.915 4.600 ( -13.792 -7.404 -13.607) 20.741 5.280 ( -5.281 -22.205 20.387) 30.604 6.154 ( 9.987 -3.178 -22.146) 24.500 6.619 ( 9.389 -9.899 29.097) 32.136 7.528 ( -9.093 -0.940 12.721) 15.665 8.943 ( 7.573 13.681 -12.554) 20.053 9.523 ( 6.159 4.862 -15.768) 17.613 11.555 ( 0.424 6.771 3.725) 7.740 11.847 ( -0.439 2.901 -3.525) 4.587 12.539 ( -7.955 -7.510 2.813) 11.296 12.865 ( 0.192 2.933 2.430) 3.813 12.965 ( 0.198 -0.085 -3.728) 3.734 13.195 ( 3.000 0.450 -3.659) 4.753 13.820 ( -4.830 -7.126 0.682) 8.636 14.035 ( 3.101 -3.034 3.552) 5.607 ======================= Grid point 511 (236/462) ======================= q-point: ( 0.31 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 0.458 3.805 3.321) 5.071 3.445 ( 2.480 -5.458 -6.255) 8.664 4.047 ( -10.919 -2.327 18.758) 21.829 4.567 ( -6.043 -16.313 -2.370) 17.557 5.664 ( 0.280 -17.812 16.890) 24.548 6.112 ( 5.716 4.156 -17.273) 18.663 6.990 ( 2.144 -8.289 20.371) 22.097 7.596 ( -10.323 -11.045 18.239) 23.690 8.757 ( 8.180 13.397 -13.837) 20.925 9.385 ( 4.208 10.944 -11.691) 16.557 11.517 ( 3.239 5.030 2.944) 6.668 11.788 ( 0.650 2.560 -2.313) 3.511 12.514 ( -8.078 -3.772 -3.574) 9.605 12.836 ( -1.770 4.382 -1.755) 5.041 12.932 ( -0.593 -2.464 -1.163) 2.789 13.223 ( 4.296 0.845 0.186) 4.383 13.880 ( -3.945 -8.099 1.275) 9.099 14.138 ( 2.700 -2.520 4.487) 5.811 ======================= Grid point 512 (237/462) ======================= q-point: ( 0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 2.835 4.062 1.990) 5.338 3.524 ( 2.569 -8.273 -6.094) 10.592 3.947 ( -9.930 5.033 -0.219) 11.135 4.822 ( -3.061 -21.409 8.690) 23.308 5.918 ( 1.609 14.825 -10.348) 18.151 5.998 ( 0.816 -11.028 15.946) 19.405 7.226 ( -1.005 -12.643 7.864) 14.923 7.780 ( -11.860 -10.519 22.485) 27.511 8.606 ( 8.563 6.589 -15.295) 18.726 9.154 ( 0.746 17.850 -5.853) 18.800 11.539 ( 6.231 2.698 1.884) 7.047 11.763 ( 1.900 1.389 -1.327) 2.702 12.428 ( -6.176 -2.593 -6.635) 9.428 12.675 ( -4.137 6.716 -8.159) 11.348 12.999 ( -0.088 -5.072 2.521) 5.665 13.263 ( 4.107 2.127 1.953) 5.021 13.954 ( -3.243 -7.112 1.595) 7.978 14.228 ( 1.888 -1.401 5.159) 5.669 ======================= Grid point 513 (238/462) ======================= q-point: (-0.54 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 4.545 3.856 3.367) 6.846 3.652 ( 2.172 -7.290 -0.483) 7.622 3.705 ( -8.645 5.286 -11.370) 15.230 5.134 ( -1.775 -17.668 7.209) 19.164 5.585 ( -8.561 18.849 -0.910) 20.722 6.242 ( 4.593 -4.339 12.806) 14.280 7.449 ( -1.008 -16.191 1.580) 16.299 7.797 ( -9.921 9.146 15.378) 20.459 8.636 ( 5.728 -10.775 -9.751) 15.620 8.844 ( -3.261 20.076 -0.167) 20.340 11.614 ( 8.170 1.190 1.741) 8.438 11.777 ( 3.006 -0.277 -1.258) 3.271 12.362 ( -2.646 -2.632 -7.017) 7.947 12.462 ( -5.040 5.928 -9.867) 12.566 13.084 ( -0.151 -5.243 1.385) 5.425 13.286 ( 3.258 3.600 2.604) 5.509 14.010 ( -2.807 -4.569 1.446) 5.554 14.292 ( 0.846 -0.020 5.536) 5.601 ======================= Grid point 514 (239/462) ======================= q-point: (-0.46 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 4.090 4.601 5.916) 8.538 3.378 ( -8.873 12.549 -9.132) 17.878 3.831 ( 2.040 -14.385 -5.455) 15.519 5.073 ( -9.598 26.779 7.569) 29.437 5.470 ( -5.306 -17.646 1.098) 18.459 6.412 ( 3.228 -0.099 13.439) 13.821 7.457 ( -11.846 20.541 11.215) 26.230 7.743 ( 2.111 -12.799 -0.938) 13.006 8.498 ( -0.740 20.121 -1.044) 20.162 8.901 ( 0.289 -21.835 -2.708) 22.004 11.719 ( 8.343 1.181 2.682) 8.843 11.821 ( 3.664 -1.547 -1.674) 4.315 12.248 ( -3.401 5.533 -7.549) 9.959 12.366 ( -0.042 -5.862 -8.436) 10.273 13.157 ( -0.011 -4.810 -0.197) 4.814 13.277 ( 1.954 4.934 2.630) 5.923 14.029 ( -2.435 -1.476 1.072) 3.043 14.324 ( -0.299 1.564 5.468) 5.695 ======================= Grid point 515 (240/462) ======================= q-point: (-0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -1.456 7.616 9.053) 11.920 3.034 ( -5.570 11.726 -12.513) 18.030 4.015 ( 0.701 -14.420 -4.548) 15.137 4.587 ( -15.129 30.100 13.777) 36.396 5.650 ( -1.452 -13.073 -1.715) 13.265 6.490 ( -3.897 7.712 20.503) 22.250 7.023 ( -10.114 26.424 6.247) 28.975 7.920 ( -3.552 -3.366 9.570) 10.748 8.304 ( 5.007 0.848 -10.409) 11.582 9.191 ( 2.689 -20.034 -4.484) 20.705 11.763 ( 3.454 5.122 -1.499) 6.357 11.916 ( 5.233 -4.318 2.787) 7.334 12.133 ( -0.177 0.684 -4.633) 4.687 12.423 ( 3.266 -7.175 -7.604) 10.953 13.214 ( 0.193 -3.755 -1.344) 3.993 13.233 ( 0.613 5.733 1.966) 6.091 14.009 ( -1.953 1.274 0.643) 2.419 14.316 ( -1.517 3.253 4.915) 6.086 ======================= Grid point 516 (241/462) ======================= q-point: (-0.31 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -14.814 14.702 7.900) 22.316 2.826 ( 5.454 6.206 -8.603) 11.927 4.065 ( -16.570 23.387 15.590) 32.627 4.197 ( -1.723 -5.985 1.544) 6.417 5.762 ( 0.376 -4.916 -1.434) 5.135 6.256 ( -21.572 31.680 37.732) 53.784 6.736 ( 2.162 6.415 -9.033) 11.288 7.860 ( -8.274 7.376 13.344) 17.347 8.469 ( 9.468 -18.088 -13.222) 24.324 9.442 ( 6.148 -14.809 -8.583) 18.187 11.685 ( 0.100 5.607 -1.813) 5.893 12.038 ( 1.066 -3.386 -0.260) 3.559 12.183 ( 6.674 -4.225 2.728) 8.357 12.530 ( 4.769 -7.962 -6.447) 11.300 13.149 ( -1.052 7.196 1.748) 7.480 13.260 ( 1.068 -3.303 -2.935) 4.546 13.960 ( -1.294 3.163 0.089) 3.418 14.265 ( -2.830 4.709 4.048) 6.824 ======================= Grid point 517 (242/462) ======================= q-point: (-0.23 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -16.992 16.378 10.712) 25.918 2.828 ( 9.179 3.143 -1.638) 9.840 3.619 ( -20.159 26.455 28.001) 43.478 4.311 ( 1.097 -7.981 -2.150) 8.338 5.618 ( -20.533 31.016 35.382) 51.337 5.943 ( -6.210 2.701 7.202) 9.886 6.623 ( 2.823 5.769 -12.322) 13.895 7.777 ( -8.976 1.342 10.993) 14.255 8.763 ( 9.351 -19.135 -11.374) 24.144 9.626 ( 8.911 -9.204 -12.986) 18.242 11.615 ( -0.655 3.247 1.105) 3.492 12.055 ( 0.355 -0.968 -3.264) 3.423 12.389 ( 7.033 -6.739 5.721) 11.296 12.657 ( 3.957 -7.878 -4.861) 10.068 13.035 ( -1.541 8.149 1.005) 8.354 13.292 ( 1.586 -2.460 -3.975) 4.937 13.896 ( -0.475 3.951 -0.601) 4.024 14.175 ( -4.232 5.469 3.072) 7.567 ======================= Grid point 518 (243/462) ======================= q-point: (-0.15 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -7.295 10.301 23.905) 27.033 2.913 ( 9.768 1.830 0.773) 9.968 3.268 ( -21.145 19.448 37.886) 47.547 4.413 ( 4.417 -3.687 -1.135) 5.865 5.148 ( -29.627 32.039 52.341) 68.146 5.914 ( -4.272 -1.492 -3.108) 5.489 6.475 ( 3.713 5.946 -16.577) 17.998 7.747 ( -8.887 -2.578 8.137) 12.322 9.045 ( 8.748 -16.505 -11.509) 21.941 9.730 ( 9.577 -4.286 -16.515) 19.567 11.599 ( -0.871 0.593 4.330) 4.456 12.043 ( 0.617 -0.277 -4.000) 4.057 12.581 ( 5.370 -4.394 3.611) 7.822 12.757 ( -2.179 -6.712 -1.541) 7.223 12.918 ( 1.751 7.389 -0.730) 7.629 13.309 ( 1.769 -1.505 -4.971) 5.487 13.837 ( 0.469 3.477 -1.003) 3.649 14.059 ( -5.614 5.088 2.130) 7.870 ======================= Grid point 519 (244/462) ======================= q-point: (-0.08 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 3.603 2.677 31.868) 32.182 2.949 ( -1.080 7.523 10.134) 12.667 3.195 ( -8.492 1.112 37.124) 38.099 4.480 ( -3.338 3.415 11.065) 12.051 4.839 ( -18.314 16.385 50.503) 56.164 5.796 ( -11.184 0.231 -6.856) 13.121 6.342 ( 5.873 2.932 -20.051) 21.098 7.731 ( -7.596 -2.455 5.592) 9.746 9.251 ( 8.271 -10.014 -13.484) 18.722 9.747 ( 7.516 -0.621 -17.853) 19.381 11.632 ( -0.884 -1.072 6.671) 6.814 12.021 ( 0.427 0.185 -4.392) 4.416 12.668 ( -3.808 -1.386 1.748) 4.413 12.733 ( -1.007 1.291 0.633) 1.756 12.915 ( 3.984 -0.242 -1.345) 4.212 13.306 ( 1.622 -0.617 -5.943) 6.191 13.805 ( 1.425 1.851 -0.588) 2.409 13.938 ( -6.411 3.172 1.538) 7.316 ======================= Grid point 521 (245/462) ======================= q-point: ( 0.08 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 0.156 -0.000 16.311) 16.312 3.036 ( -6.741 0.000 17.884) 19.112 3.790 ( 0.195 -0.000 25.556) 25.556 4.417 ( -24.204 0.000 45.486) 51.525 4.864 ( -20.118 0.000 -17.649) 26.763 5.914 ( 25.809 -0.000 24.234) 35.403 6.108 ( 6.979 -0.000 -18.316) 19.601 7.651 ( -3.992 0.000 4.737) 6.195 9.314 ( 8.290 -0.000 -15.249) 17.357 9.582 ( 4.633 -0.000 -16.660) 17.292 11.755 ( -0.331 0.000 5.360) 5.370 11.927 ( -0.109 0.000 -3.706) 3.708 12.375 ( -10.527 0.000 6.604) 12.427 12.895 ( 4.106 -0.000 0.294) 4.116 12.950 ( -0.179 0.000 0.131) 0.222 13.221 ( 1.290 -0.000 -7.135) 7.251 13.722 ( -5.398 0.000 0.869) 5.467 13.898 ( 3.417 -0.000 2.202) 4.065 ======================= Grid point 522 (246/462) ======================= q-point: ( 0.15 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 0.577 0.769 10.356) 10.401 3.130 ( -5.486 -7.834 12.848) 16.017 3.905 ( -2.366 4.865 25.632) 26.197 4.456 ( -19.491 -2.412 1.463) 19.694 4.652 ( -17.805 -17.054 23.209) 33.860 6.036 ( 7.841 -3.266 -22.989) 24.508 6.457 ( 22.631 -2.542 26.690) 35.085 7.611 ( -5.545 3.286 6.971) 9.494 9.252 ( 7.941 7.600 -14.746) 18.392 9.541 ( 5.596 -1.949 -17.613) 18.583 11.747 ( 0.609 5.491 4.369) 7.043 11.900 ( -0.288 0.681 -3.436) 3.514 12.340 ( -9.443 -5.212 7.666) 13.233 12.927 ( 0.898 0.715 -0.625) 1.307 12.952 ( 0.641 -0.274 -0.614) 0.929 13.196 ( 2.673 -0.014 -5.725) 6.318 13.680 ( -5.370 -2.569 0.873) 6.017 13.972 ( 4.128 -1.229 3.119) 5.317 ======================= Grid point 523 (247/462) ======================= q-point: ( 0.23 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 2.858 2.613 4.643) 6.046 3.250 ( -3.039 -8.278 1.176) 8.896 4.020 ( -4.534 -1.655 28.399) 28.806 4.242 ( -12.664 -4.192 -9.241) 16.228 4.979 ( -14.786 -25.720 31.205) 43.057 6.037 ( 8.187 -5.855 -23.207) 25.295 6.898 ( 14.855 -1.398 23.611) 27.930 7.531 ( -8.793 3.959 11.114) 14.714 9.111 ( 7.299 11.106 -14.241) 19.479 9.512 ( 6.716 -0.389 -17.940) 19.160 11.705 ( 2.370 7.214 4.677) 8.918 11.854 ( -0.136 1.954 -2.624) 3.275 12.363 ( -8.635 -6.330 4.739) 11.709 12.902 ( -1.119 0.633 -1.591) 2.046 12.935 ( -0.744 1.566 -2.618) 3.140 13.221 ( 5.088 -0.636 -2.356) 5.643 13.678 ( -5.030 -5.463 1.371) 7.552 14.072 ( 4.429 -1.890 3.909) 6.202 ======================= Grid point 524 (248/462) ======================= q-point: ( 0.31 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 6.119 4.829 0.458) 7.809 3.299 ( -1.014 -7.294 -8.160) 10.992 4.109 ( -5.840 4.638 7.047) 10.260 4.261 ( -6.411 -17.104 15.042) 23.662 5.397 ( -11.328 -28.450 25.474) 39.833 6.055 ( 7.912 -3.967 -21.436) 23.191 7.146 ( 3.136 3.566 17.277) 17.918 7.497 ( -9.801 -3.958 17.480) 20.428 8.931 ( 6.836 12.682 -14.780) 20.641 9.452 ( 6.254 3.992 -15.712) 17.376 11.682 ( 4.585 6.708 4.683) 9.378 11.816 ( 1.092 2.267 -1.365) 2.863 12.344 ( -8.146 -3.722 -0.688) 8.982 12.832 ( -2.862 2.977 -8.159) 9.145 12.904 ( -0.514 -0.365 2.907) 2.975 13.288 ( 5.750 -0.294 -0.309) 5.766 13.730 ( -4.200 -8.037 2.341) 9.366 14.179 ( 3.939 -1.731 4.340) 6.112 ======================= Grid point 525 (249/462) ======================= q-point: ( 0.38 0.08 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 9.232 5.881 -0.093) 10.946 3.347 ( 1.221 -9.441 -10.732) 14.345 3.987 ( -4.598 8.409 1.246) 9.665 4.557 ( -6.076 -19.396 17.100) 26.562 5.818 ( -8.575 -25.038 20.593) 33.534 6.005 ( 5.963 4.815 -17.154) 18.789 7.180 ( -4.072 -0.148 10.528) 11.289 7.635 ( -10.738 -11.361 22.057) 27.035 8.727 ( 6.219 12.339 -16.297) 21.367 9.322 ( 3.786 10.910 -10.696) 15.740 11.701 ( 6.847 4.896 3.932) 9.290 11.797 ( 1.729 1.830 -1.256) 2.813 12.283 ( -5.164 -2.543 -3.756) 6.873 12.662 ( -3.163 6.812 -9.571) 12.166 12.949 ( -0.946 -3.856 2.990) 4.971 13.354 ( 5.506 1.075 0.476) 5.630 13.819 ( -3.480 -8.546 2.973) 9.694 14.271 ( 2.703 -1.078 4.440) 5.308 ======================= Grid point 526 (250/462) ======================= q-point: (-0.54 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 11.030 6.448 2.367) 12.994 3.434 ( 2.384 -10.603 -12.789) 16.783 3.781 ( -5.905 12.181 0.946) 13.570 4.872 ( -5.009 -20.599 12.656) 24.690 5.769 ( -4.023 17.947 -2.177) 18.521 6.181 ( -1.914 -18.199 8.877) 20.339 7.265 ( -2.057 -10.215 4.675) 11.421 7.797 ( -13.509 -8.124 23.202) 28.050 8.546 ( 4.635 4.281 -16.713) 17.864 9.091 ( 0.527 18.386 -4.454) 18.926 11.768 ( 8.761 2.948 2.816) 9.663 11.793 ( 1.602 -0.514 -2.221) 2.786 12.252 ( -1.142 -2.548 -4.610) 5.390 12.450 ( -2.172 8.336 -9.896) 13.120 13.016 ( -1.314 -4.978 2.154) 5.581 13.393 ( 4.758 3.036 0.550) 5.671 13.910 ( -3.045 -6.929 2.975) 8.133 14.335 ( 1.113 -0.333 4.361) 4.513 ======================= Grid point 527 (251/462) ======================= q-point: (-0.46 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 10.424 8.265 6.141) 14.652 3.368 ( -4.609 8.803 -14.434) 17.524 3.676 ( -0.584 -6.439 1.169) 6.571 5.173 ( -2.676 -19.481 7.283) 20.970 5.387 ( -8.526 26.283 4.598) 28.012 6.407 ( -3.167 -11.327 6.512) 13.443 7.448 ( -1.709 -12.217 3.844) 12.921 7.767 ( -8.075 10.186 11.999) 17.690 8.578 ( -1.697 -17.282 -5.436) 18.196 8.784 ( -0.104 21.926 -1.111) 21.954 11.817 ( 3.423 -2.097 -4.458) 5.999 11.872 ( 7.682 1.072 4.334) 8.886 12.190 ( -2.710 2.539 -11.542) 12.125 12.324 ( 4.358 1.938 -2.972) 5.619 13.082 ( -1.350 -5.200 1.050) 5.474 13.391 ( 3.480 5.012 0.189) 6.104 13.971 ( -2.674 -4.145 2.603) 5.577 14.366 ( -0.440 0.625 4.060) 4.132 ======================= Grid point 528 (252/462) ======================= q-point: (-0.38 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 2.625 14.542 11.556) 18.759 3.052 ( -1.973 10.665 -14.098) 17.787 3.825 ( 1.219 -12.033 -0.658) 12.113 4.923 ( -12.109 29.838 11.029) 34.038 5.440 ( 0.686 -15.893 1.998) 16.033 6.520 ( -6.233 -7.542 5.774) 11.361 7.330 ( -11.412 24.852 12.112) 29.909 7.802 ( 2.586 -13.380 1.196) 13.680 8.451 ( -2.577 18.793 1.113) 19.001 8.875 ( 1.108 -24.013 -2.815) 24.203 11.836 ( 3.368 3.138 -5.861) 7.453 11.946 ( 0.009 -1.563 0.791) 1.752 12.111 ( 5.943 -1.530 -4.993) 7.912 12.377 ( 6.195 -1.619 -2.564) 6.897 13.141 ( -0.927 -4.970 -0.082) 5.056 13.343 ( 1.893 6.524 -0.365) 6.803 13.994 ( -2.187 -1.127 2.114) 3.243 14.361 ( -1.813 2.065 3.399) 4.371 ======================= Grid point 529 (253/462) ======================= q-point: (-0.31 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -10.763 22.154 9.749) 26.489 2.939 ( 9.516 4.617 -6.698) 12.519 4.007 ( 2.098 -10.467 1.186) 10.741 4.442 ( -14.359 29.467 17.150) 36.995 5.648 ( 3.094 -10.743 -2.377) 11.430 6.546 ( -9.991 -1.920 9.793) 14.121 6.859 ( -11.822 31.415 10.957) 35.309 7.945 ( -7.898 3.123 13.171) 15.672 8.310 ( 8.711 -5.135 -11.378) 15.222 9.199 ( 3.194 -21.590 -4.693) 22.324 11.733 ( -0.243 5.614 -5.544) 7.894 11.983 ( 0.096 -4.669 -4.016) 6.160 12.248 ( 8.479 -3.519 3.662) 9.884 12.474 ( 6.224 -3.800 -2.569) 7.732 13.194 ( -0.270 -4.021 -1.209) 4.207 13.256 ( 0.606 7.125 -1.146) 7.242 13.981 ( -1.527 1.496 1.534) 2.631 14.311 ( -3.083 3.837 2.433) 5.490 ======================= Grid point 530 (254/462) ======================= q-point: (-0.23 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -8.387 19.851 14.746) 26.112 2.980 ( 9.633 3.366 -1.328) 10.290 3.945 ( -15.576 26.314 23.025) 38.278 4.249 ( 4.566 -6.403 4.296) 8.961 5.762 ( 1.679 -3.804 -4.281) 5.968 6.274 ( -19.212 38.395 36.863) 56.588 6.550 ( -3.918 -2.947 -13.973) 14.808 7.797 ( -10.591 8.489 11.774) 17.968 8.551 ( 10.534 -17.757 -10.746) 23.276 9.464 ( 5.806 -15.549 -9.518) 19.133 11.636 ( -1.279 2.582 -2.718) 3.961 12.006 ( 0.135 -2.993 -5.031) 5.855 12.440 ( 7.108 -5.084 5.972) 10.584 12.584 ( 3.850 -4.420 -1.384) 6.023 13.135 ( -0.357 7.620 -1.760) 7.829 13.242 ( 0.941 -3.275 -2.993) 4.535 13.941 ( -0.676 3.293 0.862) 3.470 14.214 ( -4.372 5.431 1.416) 7.115 ======================= Grid point 531 (255/462) ======================= q-point: (-0.15 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -0.352 11.474 24.336) 26.908 3.057 ( 8.703 1.483 1.264) 8.919 3.569 ( -18.363 23.744 32.607) 44.319 4.456 ( 9.872 -4.366 4.839) 11.829 5.657 ( -11.500 26.509 25.719) 38.684 5.833 ( -13.803 12.340 9.257) 20.699 6.440 ( 0.624 1.204 -16.080) 16.137 7.674 ( -9.938 1.398 9.285) 13.672 8.846 ( 9.266 -17.218 -10.186) 22.048 9.630 ( 7.069 -8.924 -14.309) 18.285 11.596 ( -2.021 -0.796 0.781) 2.308 12.005 ( 0.133 -1.882 -4.983) 5.328 12.627 ( 5.726 -3.438 4.653) 8.140 12.650 ( -2.030 -3.678 2.081) 4.689 13.017 ( 0.715 6.512 -3.160) 7.273 13.270 ( 1.376 -2.211 -4.538) 5.232 13.893 ( 0.408 3.865 0.401) 3.907 14.078 ( -5.559 6.195 0.696) 8.352 ======================= Grid point 532 (256/462) ======================= q-point: (-0.08 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 3.849 3.450 26.864) 27.357 3.132 ( 5.401 6.879 2.312) 9.047 3.369 ( -15.023 7.390 41.530) 44.777 4.622 ( 3.452 4.863 12.069) 13.462 5.332 ( -8.492 27.731 45.324) 53.809 5.586 ( -14.648 1.945 -11.161) 18.518 6.317 ( 5.238 3.664 -19.477) 20.499 7.638 ( -7.591 -3.039 6.835) 10.657 9.095 ( 8.156 -13.875 -11.503) 19.783 9.685 ( 6.593 -2.999 -17.082) 18.554 11.619 ( -2.068 -3.565 3.909) 5.680 11.992 ( -0.046 -0.819 -4.619) 4.691 12.607 ( -7.382 2.180 3.982) 8.666 12.769 ( 4.144 -2.065 2.992) 5.513 12.950 ( 1.760 2.116 -2.611) 3.794 13.271 ( 1.373 -0.994 -5.936) 6.173 13.859 ( 1.626 3.075 0.575) 3.526 13.928 ( -6.043 5.334 0.568) 8.081 ======================= Grid point 535 (257/462) ======================= q-point: ( 0.15 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 3.548 -0.000 5.888) 6.874 3.090 ( -6.272 0.000 11.992) 13.533 3.950 ( -8.010 0.000 -6.689) 10.435 4.359 ( -5.917 0.000 12.615) 13.933 4.480 ( -22.931 0.000 45.166) 50.654 5.938 ( 7.521 -0.000 -23.769) 24.931 6.880 ( 18.406 -0.000 23.558) 29.895 7.612 ( -6.786 0.000 7.660) 10.233 9.308 ( 9.404 -0.000 -16.439) 18.939 9.458 ( 4.546 -0.000 -17.395) 17.979 11.830 ( 2.242 -0.000 2.842) 3.620 11.882 ( 0.242 -0.000 -3.366) 3.375 12.249 ( -9.156 0.000 10.221) 13.723 12.907 ( -1.901 0.000 -4.726) 5.094 12.957 ( 0.600 -0.000 0.144) 0.617 13.211 ( 5.060 -0.000 -3.047) 5.906 13.603 ( -5.508 0.000 1.207) 5.639 14.045 ( 5.140 -0.000 3.736) 6.354 ======================= Grid point 536 (258/462) ======================= q-point: ( 0.23 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 7.123 2.061 1.569) 7.580 3.123 ( -4.017 -5.039 2.317) 6.848 3.817 ( -9.583 -9.241 -9.085) 16.117 4.337 ( -6.783 9.234 30.275) 32.371 4.709 ( -15.464 -18.699 34.681) 42.327 5.899 ( 8.306 -4.321 -23.660) 25.445 7.200 ( 9.121 0.484 19.477) 21.512 7.549 ( -9.600 3.427 10.195) 14.417 9.232 ( 7.779 8.543 -16.238) 19.930 9.437 ( 6.784 -3.838 -18.333) 19.921 11.835 ( 0.899 3.306 -1.058) 3.586 11.876 ( 3.462 1.597 1.215) 4.002 12.241 ( -7.995 -2.749 9.016) 12.359 12.833 ( -3.253 -0.433 -6.771) 7.525 12.957 ( 0.393 1.316 0.092) 1.376 13.271 ( 6.192 -0.400 -1.136) 6.308 13.568 ( -5.273 -3.117 1.952) 6.428 14.144 ( 5.688 -0.667 3.985) 6.977 ======================= Grid point 537 (259/462) ======================= q-point: ( 0.31 0.15 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 10.829 4.057 -1.876) 11.715 3.142 ( -0.344 -5.460 -8.289) 9.931 3.867 ( -7.622 -15.737 -1.176) 17.525 4.375 ( -5.054 5.525 30.058) 30.977 5.049 ( -14.353 -24.427 29.694) 41.041 5.926 ( 9.221 -6.884 -22.307) 25.100 7.328 ( -3.031 5.746 13.282) 14.786 7.468 ( -10.366 -0.307 15.910) 18.992 9.066 ( 6.125 11.048 -16.204) 20.547 9.442 ( 8.193 -1.109 -17.695) 19.531 11.794 ( 0.204 1.677 -1.518) 2.271 11.912 ( 6.103 4.804 3.372) 8.467 12.224 ( -6.862 -1.262 4.445) 8.273 12.757 ( -2.294 -0.339 -7.555) 7.903 12.929 ( -0.713 2.339 0.820) 2.580 13.349 ( 6.093 -0.826 -0.590) 6.177 13.595 ( -4.265 -6.608 3.353) 8.550 14.248 ( 5.230 -0.472 3.698) 6.423 ======================= Grid point 538 (260/462) ======================= q-point: ( 0.38 0.15 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 13.889 5.235 -2.100) 14.991 3.179 ( 2.826 -7.391 -10.413) 13.078 3.950 ( -6.135 -6.402 -0.927) 8.915 4.483 ( -5.204 -2.083 26.955) 27.532 5.445 ( -12.424 -29.417 23.056) 39.387 5.977 ( 8.992 -3.533 -18.724) 21.070 7.220 ( -9.723 5.888 11.569) 16.218 7.514 ( -12.595 -6.830 18.198) 23.162 8.854 ( 5.014 12.700 -16.726) 21.591 9.406 ( 7.278 4.325 -14.413) 16.715 11.774 ( -0.577 -0.621 -2.285) 2.437 11.921 ( 5.361 7.219 3.422) 9.621 12.204 ( -1.270 -1.045 1.480) 2.213 12.652 ( -1.045 4.757 -8.844) 10.097 12.915 ( -1.696 -1.341 2.271) 3.136 13.428 ( 5.780 -0.445 -0.663) 5.835 13.683 ( -3.452 -8.451 4.410) 10.138 14.329 ( 3.678 0.174 3.091) 4.807 ======================= Grid point 539 (261/462) ======================= q-point: (-0.54 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 15.569 6.007 0.457) 16.694 3.262 ( 4.236 -8.324 -10.396) 13.975 3.852 ( -7.101 7.564 0.032) 10.375 4.687 ( -5.000 -12.064 20.435) 24.251 5.840 ( -11.223 -25.119 17.181) 32.436 5.932 ( 5.898 6.484 -14.429) 16.883 7.168 ( -6.169 -3.841 8.556) 11.226 7.606 ( -17.107 -13.451 21.521) 30.606 8.611 ( 4.263 12.924 -17.471) 22.145 9.287 ( 4.680 11.855 -8.986) 15.595 11.750 ( -2.137 -1.973 -4.373) 5.252 11.933 ( 6.679 3.997 3.275) 8.445 12.227 ( 2.420 0.782 -1.073) 2.760 12.499 ( 1.701 7.868 -7.817) 11.221 12.947 ( -2.293 -4.040 2.405) 5.231 13.485 ( 5.222 1.381 -1.148) 5.522 13.792 ( -3.114 -8.182 4.601) 9.889 14.376 ( 1.544 0.536 2.586) 3.059 ======================= Grid point 540 (262/462) ======================= q-point: (-0.46 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 15.264 7.479 2.561) 17.189 3.319 ( 1.816 0.779 -9.409) 9.615 3.644 ( -6.704 5.081 2.377) 8.741 4.961 ( -2.284 -16.376 13.350) 21.251 5.673 ( -3.325 22.047 0.600) 22.304 6.131 ( -8.834 -20.923 2.415) 22.839 7.291 ( -0.982 -11.998 4.959) 13.019 7.754 ( -16.873 -11.655 24.132) 31.668 8.400 ( 3.386 3.864 -16.191) 16.986 9.068 ( 2.027 19.030 -3.540) 19.462 11.742 ( -0.618 -5.015 -5.930) 7.791 12.003 ( 5.654 1.936 2.643) 6.535 12.173 ( 1.953 5.294 -7.252) 9.188 12.430 ( 7.161 4.729 -1.860) 8.781 12.997 ( -2.495 -5.105 2.125) 6.067 13.494 ( 3.988 3.945 -1.985) 5.950 13.888 ( -2.789 -6.324 4.242) 8.109 14.391 ( -0.475 0.625 2.291) 2.421 ======================= Grid point 541 (263/462) ======================= q-point: (-0.38 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 6.016 17.936 11.524) 22.151 3.080 ( -0.808 9.262 -12.112) 15.269 3.704 ( 2.937 -9.985 2.529) 10.711 5.224 ( -5.276 2.744 10.414) 11.992 5.306 ( -0.840 9.522 2.806) 9.963 6.252 ( -12.073 -15.418 -1.287) 19.624 7.472 ( -2.875 -4.353 7.435) 9.083 7.747 ( -6.059 3.736 10.003) 12.278 8.471 ( -2.431 -18.689 -0.751) 18.861 8.789 ( 2.095 19.195 -2.531) 19.474 11.789 ( 0.786 -7.555 -6.798) 10.194 11.935 ( -0.826 7.552 -7.309) 10.542 12.192 ( 8.689 -0.270 1.943) 8.907 12.470 ( 7.983 2.703 -0.426) 8.439 13.056 ( -2.051 -5.449 1.525) 6.019 13.445 ( 2.166 6.042 -2.822) 7.012 13.954 ( -2.278 -3.596 3.698) 5.639 14.378 ( -2.013 1.228 1.895) 3.025 ======================= Grid point 542 (264/462) ======================= q-point: (-0.31 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -8.789 23.336 6.828) 25.854 3.091 ( 9.719 4.669 -2.584) 11.088 3.948 ( 8.388 -10.006 6.036) 14.384 4.808 ( -11.367 30.382 13.605) 35.176 5.526 ( 4.987 -12.209 -1.054) 13.230 6.270 ( -14.105 -13.851 -4.079) 20.185 7.263 ( -9.279 27.054 14.936) 32.266 7.877 ( -1.273 -12.259 6.180) 13.788 8.432 ( 0.967 16.269 -0.511) 16.306 8.876 ( 1.980 -24.363 -2.796) 24.603 11.766 ( -0.866 6.694 -7.830) 10.338 11.856 ( 0.748 -7.312 -7.258) 10.330 12.339 ( 7.951 -2.094 4.732) 9.487 12.537 ( 7.292 0.948 0.180) 7.356 13.117 ( -1.157 -5.161 0.300) 5.298 13.346 ( 0.316 7.072 -3.404) 7.855 13.983 ( -1.606 -0.691 3.088) 3.549 14.330 ( -3.163 2.759 1.204) 4.367 ======================= Grid point 543 (265/462) ======================= q-point: (-0.23 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -5.897 18.815 13.351) 23.812 3.125 ( 7.604 3.247 -1.648) 8.431 4.232 ( 7.907 1.751 11.617) 14.161 4.378 ( -8.169 20.540 17.307) 28.075 5.674 ( 1.587 -5.562 -6.180) 8.465 6.259 ( -9.135 -13.316 -10.787) 19.420 6.829 ( -11.976 35.565 25.004) 45.094 7.902 ( -10.842 9.857 14.319) 20.487 8.403 ( 11.036 -9.473 -11.300) 18.418 9.210 ( 3.312 -21.623 -5.243) 22.495 11.631 ( -1.415 3.817 -5.786) 7.074 11.900 ( -0.076 -5.708 -7.133) 9.136 12.500 ( 6.010 -3.267 5.946) 9.063 12.619 ( 5.521 -0.130 1.534) 5.732 13.165 ( -0.692 -2.719 -1.811) 3.340 13.223 ( -0.502 5.462 -3.656) 6.592 13.980 ( -0.770 1.790 2.445) 3.126 14.239 ( -4.141 4.826 0.420) 6.373 ======================= Grid point 544 (266/462) ======================= q-point: (-0.15 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -1.702 10.104 19.255) 21.812 3.178 ( 7.259 1.003 0.092) 7.329 3.929 ( -14.424 26.891 27.095) 40.808 4.604 ( 14.723 -4.002 10.884) 18.741 5.612 ( -8.208 -0.230 -10.434) 13.278 6.226 ( 2.578 7.110 -14.759) 16.584 6.407 ( -13.692 23.571 32.120) 42.128 7.701 ( -10.305 9.951 11.707) 18.501 8.656 ( 9.709 -16.459 -10.359) 21.737 9.459 ( 5.239 -14.337 -10.403) 18.472 11.552 ( -2.413 -0.215 -2.410) 3.417 11.918 ( -0.464 -4.363 -6.241) 7.629 12.642 ( 1.811 -1.821 6.281) 6.786 12.688 ( 3.620 -0.531 3.335) 4.951 13.071 ( -1.212 5.595 -4.427) 7.237 13.218 ( 0.785 -2.920 -3.798) 4.855 13.955 ( 0.281 3.263 1.958) 3.816 14.105 ( -4.909 6.575 -0.057) 8.205 ======================= Grid point 545 (267/462) ======================= q-point: (-0.08 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -0.225 2.679 19.074) 19.263 3.270 ( 7.820 0.853 -0.383) 7.876 3.644 ( -15.090 18.279 37.562) 44.415 4.838 ( 5.554 3.856 12.206) 13.954 5.363 ( -13.326 4.993 -12.473) 18.924 5.951 ( 1.274 27.495 26.652) 38.313 6.307 ( 2.642 3.428 -7.979) 9.077 7.581 ( -8.609 1.415 10.138) 13.375 8.914 ( 8.162 -15.260 -10.841) 20.421 9.586 ( 6.292 -6.759 -15.002) 17.616 11.550 ( -2.447 -4.370 1.521) 5.234 11.924 ( -0.672 -3.173 -5.148) 6.085 12.626 ( -4.833 5.690 6.296) 9.766 12.798 ( 2.882 -3.649 3.555) 5.853 12.978 ( 0.822 2.865 -3.735) 4.779 13.228 ( 1.045 -1.619 -5.581) 5.904 13.928 ( -0.694 3.794 1.413) 4.108 13.951 ( -3.014 6.477 0.529) 7.163 ======================= Grid point 549 (268/462) ======================= q-point: ( 0.23 0.23 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 11.076 -0.000 -1.619) 11.194 3.052 ( -2.666 0.000 -1.356) 2.992 3.590 ( -8.662 0.000 -1.844) 8.857 4.536 ( -22.401 0.000 42.138) 47.722 4.639 ( 1.390 -0.000 22.577) 22.620 5.808 ( 9.198 -0.000 -23.611) 25.340 7.378 ( -0.768 0.000 15.458) 15.477 7.520 ( -11.238 0.000 10.687) 15.508 9.315 ( 10.702 -0.000 -17.944) 20.893 9.322 ( 4.714 -0.000 -17.929) 18.539 11.820 ( -1.522 0.000 -4.462) 4.714 11.973 ( 6.704 -0.000 2.523) 7.163 12.218 ( -6.277 0.000 12.018) 13.558 12.739 ( -2.779 0.000 -7.501) 7.999 12.971 ( 0.314 -0.000 -0.481) 0.575 13.341 ( 6.365 -0.000 -0.498) 6.384 13.495 ( -5.347 0.000 2.763) 6.019 14.242 ( 6.474 -0.000 3.463) 7.342 ======================= Grid point 550 (269/462) ======================= q-point: ( 0.31 0.23 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 13.934 2.401 -3.785) 14.637 3.032 ( 1.076 -3.047 -7.155) 7.851 3.597 ( -7.940 -11.125 7.907) 15.790 4.556 ( -13.970 0.768 35.077) 37.765 4.859 ( -5.764 -8.954 23.858) 26.126 5.802 ( 10.309 -5.146 -22.396) 25.186 7.397 ( -9.820 2.540 11.558) 15.378 7.431 ( -13.338 1.099 13.059) 18.699 9.165 ( 6.268 9.360 -17.422) 20.747 9.383 ( 9.672 -4.723 -18.426) 21.339 11.760 ( -2.714 -0.296 -4.640) 5.383 12.071 ( 7.803 2.099 2.670) 8.510 12.217 ( -4.659 1.964 10.576) 11.723 12.676 ( -0.669 -1.181 -6.726) 6.862 12.951 ( -0.634 1.886 -1.029) 2.240 13.407 ( 4.578 0.047 -0.134) 4.580 13.494 ( -3.317 -4.671 3.847) 6.901 14.340 ( 6.112 0.343 2.282) 6.533 ======================= Grid point 551 (270/462) ======================= q-point: ( 0.38 0.23 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 15.796 3.147 -3.416) 16.465 3.072 ( 4.249 -5.166 -7.437) 10.002 3.739 ( -7.722 -12.201 8.884) 16.954 4.640 ( -5.951 2.545 26.933) 27.700 5.095 ( -12.103 -19.418 22.060) 31.783 5.882 ( 11.008 -7.916 -19.179) 23.488 7.255 ( -12.677 6.829 12.230) 18.893 7.365 ( -17.757 -4.480 13.508) 22.757 8.970 ( 5.622 11.891 -17.077) 21.555 9.420 ( 9.582 -1.197 -16.961) 19.517 11.703 ( -3.548 -1.460 -4.517) 5.927 12.096 ( 2.891 6.489 3.994) 8.150 12.245 ( 3.049 0.712 5.910) 6.688 12.642 ( 1.284 1.123 -6.207) 6.437 12.903 ( -1.697 1.427 -0.168) 2.223 13.465 ( 3.048 -2.142 0.161) 3.729 13.576 ( -1.495 -6.349 4.324) 7.826 14.405 ( 4.392 1.311 0.860) 4.663 ======================= Grid point 552 (271/462) ======================= q-point: ( 0.46 0.23 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 14.341 3.136 -4.371) 15.316 3.175 ( 7.372 -5.957 -2.641) 9.839 3.811 ( -6.881 -1.992 5.422) 8.984 4.708 ( -4.757 0.766 21.346) 21.883 5.411 ( -11.814 -27.675 13.452) 32.961 5.978 ( 8.773 -1.894 -12.489) 15.380 7.124 ( -10.210 1.757 11.664) 15.601 7.333 ( -21.233 -11.232 17.114) 29.494 8.738 ( 5.185 13.987 -16.807) 22.472 9.401 ( 7.920 4.638 -13.300) 16.160 11.650 ( -3.453 -1.904 -4.405) 5.912 12.082 ( 3.752 4.452 3.854) 6.983 12.293 ( 3.319 2.944 0.492) 4.464 12.589 ( 4.798 5.083 -4.558) 8.345 12.886 ( -2.558 -2.131 1.464) 3.637 13.532 ( 3.601 -1.485 -1.226) 4.084 13.682 ( -2.274 -7.395 5.190) 9.317 14.423 ( 1.873 1.831 -0.092) 2.621 ======================= Grid point 553 (272/462) ======================= q-point: (-0.46 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 8.314 1.990 -7.949) 11.674 3.388 ( 13.187 -3.966 5.838) 14.957 3.677 ( -8.021 11.961 3.563) 14.836 4.850 ( -3.291 -10.133 15.897) 19.137 5.695 ( -10.192 -24.389 -0.174) 26.433 5.908 ( 0.540 13.935 -1.336) 14.009 7.163 ( -2.995 -9.018 7.373) 12.027 7.432 ( -21.533 -21.223 23.718) 38.427 8.487 ( 5.427 14.216 -16.571) 22.498 9.291 ( 5.162 12.220 -8.115) 15.551 11.623 ( -1.414 -3.568 -4.954) 6.267 12.097 ( 2.307 3.528 -0.184) 4.219 12.256 ( 4.151 4.772 -1.628) 6.531 12.583 ( 8.050 4.797 -1.285) 9.459 12.912 ( -3.069 -4.418 2.537) 5.948 13.560 ( 3.073 1.605 -3.233) 4.740 13.793 ( -2.605 -7.393 5.567) 9.614 14.406 ( -0.522 1.371 -0.199) 1.480 ======================= Grid point 554 (273/462) ======================= q-point: (-0.38 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 2.765 5.680 -7.485) 9.794 3.380 ( -4.573 18.996 5.877) 20.403 3.690 ( 12.961 -7.545 8.937) 17.458 5.108 ( 0.771 -15.349 9.326) 17.976 5.608 ( -3.039 24.147 1.216) 24.368 5.829 ( -14.908 -17.919 -2.797) 23.477 7.356 ( 0.465 -13.443 4.619) 14.222 7.672 ( -17.753 -17.257 26.062) 35.947 8.298 ( 6.133 3.070 -14.857) 16.364 9.079 ( 2.634 19.108 -3.442) 19.594 11.648 ( 0.625 -5.968 -6.107) 8.561 11.987 ( -0.491 7.806 -7.295) 10.695 12.314 ( 7.483 0.216 3.698) 8.350 12.614 ( 7.682 4.050 -0.488) 8.698 12.965 ( -2.724 -5.462 2.773) 6.704 13.514 ( 1.217 4.539 -4.817) 6.730 13.894 ( -2.114 -5.641 5.290) 8.017 14.374 ( -2.160 0.866 0.083) 2.329 ======================= Grid point 555 (274/462) ======================= q-point: (-0.31 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -8.027 18.776 3.296) 20.684 3.233 ( 3.307 5.206 -1.648) 6.384 4.048 ( 16.616 -6.907 12.635) 21.987 5.175 ( -8.712 26.471 10.404) 29.747 5.424 ( 6.868 -11.037 -0.561) 13.011 5.825 ( -17.353 -15.978 -6.232) 24.397 7.516 ( -3.154 4.392 9.361) 10.810 7.741 ( -6.144 -6.115 10.013) 13.244 8.446 ( 0.878 -20.561 -0.795) 20.595 8.807 ( 2.367 18.801 -2.717) 19.143 11.702 ( 1.051 -5.971 -6.884) 9.173 11.815 ( -0.546 7.110 -8.471) 11.073 12.444 ( 7.028 -1.250 4.932) 8.676 12.653 ( 6.465 2.639 0.487) 7.000 13.030 ( -1.906 -5.550 1.741) 6.121 13.404 ( -0.887 6.114 -5.499) 8.271 13.967 ( -1.400 -2.904 4.736) 5.729 14.327 ( -3.095 1.572 0.095) 3.472 ======================= Grid point 556 (275/462) ======================= q-point: (-0.23 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -8.537 15.941 9.646) 20.495 3.223 ( 5.360 2.197 -2.600) 6.350 4.450 ( 18.711 -5.522 14.421) 24.261 4.741 ( -10.904 29.399 15.073) 34.791 5.559 ( -2.121 -3.727 -9.795) 10.692 5.859 ( -6.401 -19.823 -5.615) 21.574 7.283 ( -6.759 25.795 15.441) 30.814 7.898 ( -6.424 -8.557 10.551) 15.027 8.475 ( 5.221 12.448 -4.831) 14.337 8.889 ( 1.998 -24.213 -2.496) 24.423 11.634 ( -1.273 5.739 -7.162) 9.265 11.769 ( 0.689 -5.771 -7.179) 9.237 12.578 ( 5.474 -1.797 5.269) 7.807 12.705 ( 4.865 1.143 1.796) 5.310 13.089 ( -1.222 -4.735 -0.307) 4.899 13.258 ( -2.340 6.162 -5.336) 8.481 14.006 ( -0.612 -0.078 4.119) 4.165 14.251 ( -3.666 3.541 -0.165) 5.100 ======================= Grid point 557 (276/462) ======================= q-point: (-0.15 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -6.470 8.073 12.714) 16.392 3.268 ( 7.123 0.431 -1.059) 7.214 4.320 ( -12.257 27.786 21.003) 36.924 4.832 ( 14.372 -2.777 13.644) 20.011 5.419 ( -7.537 -0.716 -12.961) 15.010 6.053 ( 5.579 -14.208 -11.866) 19.334 6.927 ( -8.460 30.949 24.280) 40.236 7.833 ( -11.573 12.327 15.481) 22.925 8.506 ( 10.466 -9.995 -12.023) 18.815 9.213 ( 3.146 -20.547 -5.743) 21.565 11.513 ( -1.932 2.266 -4.513) 5.407 11.805 ( 0.272 -5.020 -5.954) 7.792 12.697 ( 3.406 -2.139 5.135) 6.523 12.748 ( 1.531 1.658 2.738) 3.548 13.078 ( -2.514 3.073 -4.568) 6.052 13.162 ( -0.196 -1.771 -2.890) 3.395 14.015 ( 0.140 2.159 3.547) 4.155 14.137 ( -3.875 5.844 -0.233) 7.016 ======================= Grid point 558 (277/462) ======================= q-point: (-0.08 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -3.991 1.128 11.567) 12.288 3.359 ( 7.696 -0.297 -1.216) 7.797 3.989 ( -13.216 21.262 29.241) 38.493 4.908 ( -9.073 4.157 -3.926) 10.725 5.355 ( 7.459 5.109 3.230) 9.601 6.174 ( 10.231 -4.199 -19.491) 22.410 6.624 ( -5.493 25.695 32.683) 41.936 7.628 ( -10.185 10.107 13.815) 19.919 8.727 ( 8.721 -14.942 -11.703) 20.887 9.433 ( 4.932 -12.439 -11.244) 17.478 11.478 ( -1.369 -2.828 -0.125) 3.145 11.831 ( -0.158 -3.990 -4.627) 6.112 12.699 ( -4.664 6.038 3.195) 8.271 12.793 ( 1.385 -3.086 3.458) 4.837 12.991 ( 0.218 1.518 -3.901) 4.191 13.179 ( 1.131 -2.135 -3.767) 4.475 13.970 ( -3.790 6.279 0.767) 7.374 14.033 ( 0.949 4.284 2.635) 5.118 ======================= Grid point 563 (278/462) ======================= q-point: ( 0.31 0.31 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 2.475 -0.000 -4.265) 4.931 3.014 ( 14.920 -0.000 -4.934) 15.714 3.512 ( -6.602 0.000 15.504) 16.851 4.573 ( -18.519 0.000 35.751) 40.263 4.944 ( -0.808 0.000 17.569) 17.587 5.740 ( 11.086 -0.000 -21.407) 24.107 7.305 ( -17.801 0.000 10.014) 20.425 7.374 ( -13.532 0.000 12.411) 18.362 9.206 ( 6.234 -0.000 -17.421) 18.503 9.324 ( 11.047 -0.000 -19.139) 22.098 11.680 ( -3.707 0.000 -4.914) 6.156 12.191 ( 5.978 -0.000 1.575) 6.182 12.274 ( -2.245 0.000 12.991) 13.184 12.628 ( 1.799 -0.000 -6.050) 6.311 12.945 ( -0.630 0.000 -2.369) 2.451 13.432 ( -4.332 0.000 5.451) 6.963 13.476 ( 4.946 -0.000 -0.646) 4.988 14.427 ( 5.801 -0.000 0.175) 5.804 ======================= Grid point 564 (279/462) ======================= q-point: ( 0.38 0.31 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 3.833 -3.193 -1.138) 5.117 3.153 ( 14.057 0.841 -3.878) 14.607 3.616 ( -4.841 -6.524 17.735) 19.507 4.671 ( -12.037 -8.644 28.782) 32.373 5.002 ( -6.215 1.616 13.901) 15.313 5.784 ( 11.280 -6.417 -17.969) 22.166 7.146 ( -21.898 -3.137 10.237) 24.376 7.264 ( -13.563 4.389 12.967) 19.271 9.081 ( 6.992 9.971 -17.313) 21.167 9.375 ( 10.569 -4.806 -18.647) 21.966 11.614 ( -2.944 -0.763 -3.708) 4.796 12.214 ( 0.306 3.549 3.741) 5.166 12.349 ( 2.510 1.280 8.112) 8.587 12.632 ( 3.325 -0.967 -4.383) 5.586 12.906 ( -0.290 1.974 -2.634) 3.304 13.445 ( -2.599 -2.780 5.573) 6.749 13.542 ( 2.894 -2.663 -0.151) 3.935 14.473 ( 4.034 1.262 -2.018) 4.684 ======================= Grid point 565 (280/462) ======================= q-point: ( 0.46 0.31 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 5.817 -3.395 -1.384) 6.876 3.280 ( 8.584 -1.142 1.214) 8.744 3.784 ( 0.684 -4.085 14.147) 14.740 4.818 ( -6.192 2.625 17.444) 18.696 5.029 ( -12.050 -16.889 11.047) 23.504 5.927 ( 9.903 -8.981 -11.389) 17.562 7.028 ( -23.213 -8.448 13.532) 28.166 7.125 ( -11.896 4.853 13.030) 18.299 8.883 ( 6.776 13.260 -16.935) 22.551 9.425 ( 9.811 -1.583 -16.668) 19.406 11.576 ( -1.474 -0.583 -2.239) 2.744 12.191 ( 0.689 3.565 2.906) 4.651 12.378 ( 1.027 3.345 2.902) 4.546 12.668 ( 4.792 -0.007 -1.461) 5.010 12.862 ( 0.064 1.612 -1.351) 2.104 13.514 ( -0.393 -4.360 3.458) 5.579 13.614 ( 0.296 -4.362 1.376) 4.583 14.462 ( 1.425 2.262 -3.387) 4.315 ======================= Grid point 566 (281/462) ======================= q-point: (-0.46 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 6.243 1.816 -2.916) 7.126 3.428 ( 0.473 -7.324 5.816) 9.364 3.889 ( 8.201 9.434 8.761) 15.264 4.790 ( -9.437 -4.086 13.911) 17.300 5.254 ( -7.746 -21.607 0.740) 22.965 6.037 ( 4.759 2.074 -3.954) 6.526 7.031 ( -23.138 -17.520 19.582) 35.011 7.082 ( -6.058 -4.432 11.508) 13.740 8.652 ( 6.726 15.020 -16.352) 23.199 9.412 ( 7.866 4.466 -12.972) 15.815 11.562 ( 0.406 -0.491 -1.789) 1.899 12.155 ( -0.222 4.118 -2.300) 4.722 12.359 ( 2.215 2.881 3.142) 4.804 12.720 ( 6.392 1.958 -0.540) 6.707 12.851 ( -1.154 -1.198 1.124) 2.008 13.567 ( 1.191 -1.056 -2.689) 3.125 13.703 ( -2.110 -7.042 5.646) 9.269 14.409 ( -0.992 1.924 -3.283) 3.932 ======================= Grid point 567 (282/462) ======================= q-point: (-0.38 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 3.141 5.654 -0.987) 6.542 3.442 ( -8.681 4.334 0.578) 9.720 3.966 ( 14.883 4.467 13.018) 20.272 4.952 ( -3.464 -16.214 11.284) 20.056 5.392 ( -8.654 -15.884 -7.358) 19.528 5.892 ( -1.724 18.352 0.909) 18.455 7.179 ( -8.478 -16.610 9.764) 21.051 7.312 ( -11.991 -24.348 23.175) 35.688 8.417 ( 7.415 14.245 -16.041) 22.699 9.305 ( 5.171 12.047 -8.188) 15.457 11.578 ( 2.168 -1.732 -2.753) 3.909 12.028 ( -1.742 6.956 -6.841) 9.911 12.419 ( 4.449 -0.594 5.081) 6.780 12.752 ( 6.338 3.856 -0.994) 7.485 12.886 ( -1.933 -4.184 3.068) 5.537 13.529 ( -0.444 2.445 -6.142) 6.625 13.824 ( -1.733 -6.980 6.788) 9.890 14.350 ( -2.459 0.690 -2.128) 3.325 ======================= Grid point 568 (283/462) ======================= q-point: (-0.31 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( -10.542 15.350 2.822) 18.834 3.304 ( 1.930 3.867 -1.707) 4.647 4.283 ( 16.449 -5.782 15.202) 23.132 5.241 ( -1.472 -17.525 7.465) 19.106 5.375 ( -13.996 -6.892 -6.829) 17.030 5.581 ( 0.866 21.105 0.446) 21.128 7.410 ( -2.373 -17.611 5.259) 18.532 7.642 ( -13.712 -15.212 25.313) 32.560 8.274 ( 8.251 0.460 -14.438) 16.635 9.096 ( 2.972 18.793 -4.044) 19.451 11.621 ( 2.916 -3.167 -4.080) 5.931 11.846 ( -2.098 7.808 -8.223) 11.532 12.530 ( 4.427 -2.031 4.693) 6.764 12.766 ( 4.997 3.219 -0.077) 5.944 12.949 ( -1.490 -4.797 2.761) 5.732 13.414 ( -2.389 4.550 -7.096) 8.761 13.937 ( -0.970 -4.853 6.419) 8.105 14.299 ( -3.044 0.341 -1.131) 3.265 ======================= Grid point 569 (284/462) ======================= q-point: (-0.23 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -12.757 13.394 5.201) 19.215 3.308 ( 5.826 2.455 -0.414) 6.336 4.693 ( 15.918 -7.411 14.918) 23.041 5.067 ( -12.563 20.380 5.729) 24.617 5.320 ( -10.182 -5.256 -6.478) 13.163 5.618 ( 8.600 -11.350 -0.538) 14.250 7.574 ( -2.725 8.692 9.220) 12.961 7.720 ( -7.182 -11.559 10.243) 17.033 8.470 ( 2.590 -21.452 -2.368) 21.737 8.830 ( 2.911 18.529 -2.996) 18.995 11.658 ( -1.730 7.230 -7.543) 10.591 11.673 ( 2.249 -3.854 -4.979) 6.686 12.637 ( 3.124 -2.552 3.255) 5.183 12.784 ( 3.236 1.785 0.336) 3.711 13.014 ( -0.955 -4.253 1.800) 4.715 13.261 ( -3.411 5.257 -6.202) 8.817 14.020 ( -0.250 -2.043 5.801) 6.155 14.242 ( -3.229 1.664 -0.679) 3.695 ======================= Grid point 570 (285/462) ======================= q-point: (-0.15 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -9.999 6.651 6.681) 13.743 3.365 ( 7.234 1.245 0.774) 7.381 4.609 ( -16.342 19.021 7.329) 26.126 5.035 ( 4.894 6.989 7.197) 11.162 5.286 ( 6.250 -9.409 -0.841) 11.327 5.868 ( 5.345 -12.921 -3.447) 14.401 7.351 ( -3.647 22.898 12.109) 26.158 7.869 ( -9.446 -5.662 13.533) 17.447 8.540 ( 7.273 9.266 -8.033) 14.258 8.901 ( 1.504 -23.110 -1.992) 23.244 11.507 ( -1.206 4.440 -5.573) 7.227 11.719 ( 1.833 -3.593 -4.221) 5.839 12.713 ( 0.702 -2.429 0.433) 2.565 12.789 ( -0.002 0.546 -0.193) 0.579 13.050 ( -1.203 0.315 -0.512) 1.345 13.134 ( -1.182 1.463 -2.316) 2.983 14.067 ( 0.123 0.860 4.982) 5.057 14.162 ( -2.956 3.779 -0.127) 4.800 ======================= Grid point 571 (286/462) ======================= q-point: (-0.08 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -5.223 0.083 5.893) 7.875 3.445 ( 6.906 0.975 -0.520) 6.993 4.233 ( -15.971 14.528 11.852) 24.629 4.859 ( -5.612 12.084 -3.550) 13.789 5.587 ( 14.067 -1.227 9.659) 17.108 6.042 ( 3.175 -10.702 -8.792) 14.209 7.086 ( -2.640 22.277 17.142) 28.233 7.781 ( -11.887 12.527 18.641) 25.411 8.577 ( 9.926 -8.777 -13.541) 18.945 9.200 ( 2.402 -18.999 -6.124) 20.105 11.447 ( 0.811 -0.251 -1.388) 1.627 11.758 ( 1.090 -3.162 -3.275) 4.680 12.673 ( -5.675 1.704 -4.496) 7.438 12.802 ( -0.664 -2.589 1.069) 2.878 12.985 ( -0.613 3.104 -1.640) 3.563 13.160 ( 2.260 -1.951 0.367) 3.008 14.021 ( -3.355 6.271 0.984) 7.180 14.117 ( 1.261 2.499 4.040) 4.915 ======================= Grid point 577 (287/462) ======================= q-point: ( 0.38 0.38 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 1.167 -0.000 4.941) 5.077 3.289 ( 10.610 -0.000 -1.633) 10.735 3.685 ( -0.472 0.000 22.282) 22.287 4.650 ( -7.326 0.000 20.972) 22.214 5.022 ( -9.252 0.000 9.563) 13.306 5.754 ( 9.809 -0.000 -13.498) 16.686 6.912 ( -22.957 0.000 9.521) 24.853 7.222 ( -13.217 0.000 13.089) 18.601 9.139 ( 7.726 -0.000 -17.003) 18.676 9.322 ( 11.189 -0.000 -19.782) 22.727 11.569 ( -0.539 0.000 -1.557) 1.648 12.252 ( -1.425 0.000 2.764) 3.110 12.430 ( -1.423 0.000 9.035) 9.147 12.644 ( 4.929 -0.000 -4.264) 6.517 12.910 ( 2.121 -0.000 -3.371) 3.983 13.435 ( -3.117 0.000 7.948) 8.538 13.551 ( 2.418 -0.000 -1.931) 3.094 14.499 ( 2.323 -0.000 -4.769) 5.305 ======================= Grid point 578 (288/462) ======================= q-point: ( 0.46 0.38 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 0.158 -4.993 6.953) 8.561 3.371 ( 4.353 2.401 2.887) 5.749 3.901 ( 5.974 -4.092 20.791) 22.016 4.783 ( -1.128 -9.693 9.231) 13.432 4.886 ( -14.774 5.675 6.717) 17.193 5.844 ( 6.058 -7.963 -4.634) 11.026 6.743 ( -20.468 -4.816 9.635) 23.129 7.131 ( -12.048 3.392 13.209) 18.197 9.026 ( 8.266 10.891 -17.332) 22.076 9.376 ( 10.862 -5.226 -18.741) 22.283 11.572 ( 1.790 0.477 0.567) 1.938 12.233 ( -1.645 1.613 0.970) 2.499 12.433 ( -4.359 1.741 6.846) 8.301 12.693 ( 4.673 -1.500 -2.244) 5.397 12.910 ( 3.929 2.461 -2.518) 5.276 13.482 ( -1.891 -2.991 7.655) 8.433 13.571 ( 0.514 -2.438 -2.122) 3.273 14.463 ( -0.076 1.362 -6.380) 6.524 ======================= Grid point 579 (289/462) ======================= q-point: ( 0.54 0.38 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 2.232 -5.871 4.708) 7.849 3.381 ( -2.573 1.907 6.988) 7.687 4.174 ( 11.761 1.899 12.569) 17.318 4.656 ( -19.292 -1.270 9.534) 21.557 4.983 ( 2.390 -11.899 -1.449) 12.223 6.023 ( 1.806 -9.089 3.035) 9.751 6.681 ( -19.292 -10.324 12.555) 25.227 7.058 ( -7.788 0.361 12.525) 14.753 8.831 ( 8.332 14.218 -16.961) 23.649 9.432 ( 9.803 -1.843 -16.602) 19.368 11.596 ( 3.176 1.952 1.585) 4.051 12.173 ( -1.991 3.392 -3.420) 5.212 12.410 ( -3.791 -0.067 7.303) 8.228 12.759 ( 3.702 -1.975 -0.675) 4.250 12.903 ( 4.057 3.762 -1.023) 5.627 13.534 ( -0.400 -1.571 -2.338) 2.845 13.627 ( -1.820 -6.252 5.994) 8.850 14.382 ( -2.081 1.496 -6.091) 6.608 ======================= Grid point 580 (290/462) ======================= q-point: (-0.38 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( -3.905 6.539 5.046) 9.136 3.386 ( -1.245 -1.600 1.576) 2.568 4.217 ( 0.113 3.446 8.197) 8.893 4.746 ( -5.651 -14.965 15.628) 22.364 5.132 ( 4.026 -9.225 -8.086) 12.911 6.071 ( 0.106 7.684 -0.018) 7.685 6.780 ( -20.860 -23.491 21.876) 38.282 7.149 ( -1.681 -10.089 10.835) 14.900 8.610 ( 8.566 15.483 -16.382) 24.114 9.421 ( 7.793 4.326 -13.139) 15.877 11.616 ( 3.825 2.554 1.094) 4.727 12.040 ( -3.083 5.813 -6.528) 9.269 12.455 ( -1.772 -3.356 7.294) 8.222 12.824 ( 3.687 -1.372 -1.037) 4.068 12.895 ( 2.702 3.098 1.465) 4.364 13.488 ( -2.092 0.675 -7.183) 7.511 13.759 ( -1.184 -7.280 8.430) 11.201 14.301 ( -2.996 0.233 -4.259) 5.212 ======================= Grid point 581 (291/462) ======================= q-point: (-0.31 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( -14.382 12.894 0.709) 19.328 3.397 ( 3.905 3.507 2.634) 5.873 4.385 ( 2.479 -14.125 11.929) 18.653 4.924 ( -11.181 -11.034 3.981) 16.205 5.275 ( 9.010 -6.036 -0.716) 10.868 5.870 ( 0.875 18.034 -1.089) 18.088 7.071 ( -14.340 -27.220 17.234) 35.264 7.418 ( -3.948 -18.471 16.167) 24.862 8.397 ( 9.392 13.882 -16.443) 23.480 9.315 ( 5.442 11.697 -8.796) 15.615 11.636 ( 3.816 1.678 -0.443) 4.192 11.862 ( -3.139 6.894 -7.386) 10.579 12.539 ( -1.331 -4.654 4.805) 6.821 12.853 ( 3.831 2.163 -2.370) 4.997 12.924 ( 0.927 -1.140 4.256) 4.503 13.376 ( -3.258 2.669 -7.905) 8.957 13.902 ( -0.476 -6.177 8.093) 10.192 14.246 ( -3.072 -0.834 -2.406) 3.991 ======================= Grid point 582 (292/462) ======================= q-point: (-0.23 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -14.561 12.084 1.438) 18.976 3.427 ( 4.837 2.926 3.644) 6.726 4.765 ( 5.604 -19.939 10.570) 23.253 4.824 ( -17.318 -3.218 -7.561) 19.169 5.423 ( 3.327 6.851 10.130) 12.674 5.702 ( 8.737 7.258 -1.779) 11.497 7.385 ( -7.431 -23.712 8.952) 26.413 7.696 ( -8.312 -8.436 20.203) 23.418 8.287 ( 9.127 -1.579 -14.500) 17.206 9.115 ( 3.787 18.061 -4.850) 19.080 11.639 ( 0.145 2.406 -4.528) 5.129 11.700 ( 0.961 4.704 -4.162) 6.353 12.606 ( -2.100 -5.049 0.941) 5.549 12.834 ( 1.438 2.633 -3.101) 4.314 12.990 ( 0.686 -2.310 4.612) 5.204 13.243 ( -2.635 3.873 -5.647) 7.337 14.024 ( 0.124 -3.902 7.378) 8.347 14.207 ( -2.927 -0.368 -1.292) 3.220 ======================= Grid point 583 (293/462) ======================= q-point: (-0.15 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -10.472 6.587 3.065) 12.745 3.484 ( 5.208 1.775 3.920) 6.756 4.515 ( -17.592 5.427 -10.687) 21.287 5.149 ( -1.503 -13.836 5.268) 14.881 5.374 ( 10.772 10.082 10.893) 18.340 5.815 ( 5.605 -4.580 2.540) 7.671 7.639 ( -1.264 3.278 6.453) 7.347 7.673 ( -8.291 -7.135 10.511) 15.170 8.497 ( 2.685 -21.238 -3.196) 21.644 8.869 ( 3.664 17.820 -3.059) 18.448 11.521 ( -0.448 4.514 -5.192) 6.895 11.702 ( 3.103 -0.170 -2.020) 3.707 12.637 ( -3.333 -4.917 -3.082) 6.692 12.763 ( -2.533 1.906 -5.659) 6.486 13.063 ( 1.201 -1.267 4.286) 4.627 13.144 ( -0.429 3.381 -1.287) 3.643 14.109 ( 0.036 -0.540 5.843) 5.868 14.163 ( -2.256 0.832 0.220) 2.414 ======================= Grid point 584 (294/462) ======================= q-point: (-0.08 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -4.143 0.403 3.320) 5.324 3.548 ( 5.014 2.033 2.350) 5.899 4.154 ( -15.795 5.111 -8.934) 18.852 5.067 ( -1.285 17.045 6.310) 18.221 5.669 ( 8.239 -16.511 0.742) 18.467 5.945 ( 1.732 -1.682 8.766) 9.092 7.426 ( -0.749 19.361 5.341) 20.099 7.827 ( -10.576 -6.219 15.939) 20.114 8.602 ( 7.683 7.832 -9.552) 14.547 8.898 ( -0.166 -20.638 -1.313) 20.680 11.470 ( 3.109 1.345 -1.745) 3.810 11.731 ( 2.359 -1.103 -1.827) 3.181 12.579 ( -5.518 0.845 -7.196) 9.107 12.692 ( -3.949 -4.498 -6.006) 8.480 13.053 ( 0.535 5.166 1.716) 5.470 13.173 ( 2.374 -2.492 3.014) 4.575 14.066 ( -2.921 4.621 0.792) 5.525 14.186 ( 1.141 0.449 5.423) 5.560 ======================= Grid point 591 (295/462) ======================= q-point: ( 0.46 0.46 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( -4.287 0.000 11.126) 11.924 3.462 ( 1.256 -0.000 5.299) 5.446 4.104 ( 7.225 -0.000 24.394) 25.442 4.749 ( -19.265 0.000 2.189) 19.389 4.796 ( 7.640 -0.000 -0.626) 7.665 5.816 ( -3.179 0.000 8.684) 9.248 6.553 ( -12.378 0.000 3.497) 12.863 7.102 ( -11.291 0.000 12.983) 17.206 9.104 ( 9.050 -0.000 -17.451) 19.658 9.326 ( 11.558 -0.000 -19.460) 22.633 11.630 ( 4.496 -0.000 2.784) 5.288 12.217 ( -2.591 0.000 -0.884) 2.738 12.411 ( -8.798 0.000 8.234) 12.050 12.731 ( 6.012 -0.000 -2.837) 6.647 12.966 ( 4.498 -0.000 -1.857) 4.866 13.502 ( -1.613 0.000 9.974) 10.104 13.528 ( -0.700 0.000 -4.628) 4.681 14.408 ( -1.976 0.000 -8.004) 8.244 ======================= Grid point 592 (296/462) ======================= q-point: (-0.46 -0.54 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -5.610 -6.591 11.129) 14.099 3.471 ( -1.996 3.399 6.939) 7.981 4.385 ( 3.862 1.125 8.463) 9.370 4.478 ( -16.971 -0.446 14.176) 22.118 4.929 ( 11.695 -4.643 -7.288) 14.541 5.896 ( -13.078 -10.315 22.029) 27.618 6.477 ( -4.820 -2.730 -3.003) 6.302 7.057 ( -8.538 0.627 12.736) 15.346 9.003 ( 9.871 11.373 -17.626) 23.183 9.384 ( 11.009 -5.136 -18.371) 22.024 11.702 ( 5.509 2.377 3.805) 7.105 12.152 ( -3.124 2.095 -4.484) 5.853 12.370 ( -9.028 -2.043 9.728) 13.428 12.791 ( 5.756 -0.560 -1.999) 6.118 12.989 ( 3.632 2.393 -0.794) 4.421 13.476 ( -2.135 -0.658 -6.111) 6.506 13.589 ( -1.059 -4.010 9.970) 10.798 14.315 ( -3.254 0.484 -7.583) 8.266 ======================= Grid point 593 (297/462) ======================= q-point: (-0.38 -0.54 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -8.769 -2.330 5.843) 10.792 3.450 ( -0.931 1.395 6.019) 6.248 4.133 ( -19.646 -0.480 4.832) 20.237 4.710 ( 2.665 -4.536 14.137) 15.084 5.110 ( 14.748 -5.361 -4.813) 16.414 6.058 ( -12.451 -11.177 20.021) 26.093 6.450 ( -8.062 -7.122 2.235) 10.987 7.094 ( -3.326 -5.161 11.393) 12.942 8.820 ( 10.241 14.850 -17.048) 24.820 9.442 ( 9.861 -1.624 -16.417) 19.220 11.743 ( 5.025 4.846 3.759) 7.929 12.020 ( -4.285 4.341 -6.634) 9.012 12.393 ( -6.767 -5.213 9.044) 12.440 12.854 ( 5.008 -0.593 -1.832) 5.366 12.984 ( 2.269 3.335 0.970) 4.149 13.402 ( -3.154 -0.483 -8.110) 8.715 13.720 ( -0.532 -5.938 10.176) 11.794 14.225 ( -3.440 -0.443 -5.564) 6.557 ======================= Grid point 594 (298/462) ======================= q-point: (-0.31 -0.54 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( -14.512 10.867 -0.931) 18.154 3.485 ( -0.251 -0.026 4.892) 4.899 4.141 ( -12.885 -19.360 13.035) 26.660 4.786 ( -2.342 -0.285 -0.479) 2.408 5.361 ( 12.094 -4.894 5.646) 14.216 6.064 ( 0.294 8.383 -0.122) 8.390 6.618 ( -16.280 -26.761 19.641) 36.972 7.271 ( -1.564 -12.455 11.923) 17.312 8.614 ( 10.496 16.033 -16.576) 25.338 9.431 ( 8.178 4.415 -13.266) 16.197 11.746 ( 3.930 5.882 2.530) 7.513 11.854 ( -3.937 4.979 -6.508) 9.091 12.450 ( -5.603 -5.956 5.243) 9.714 12.889 ( 3.015 0.563 -3.893) 4.955 12.980 ( 0.881 1.967 4.070) 4.605 13.308 ( -2.355 0.749 -7.474) 7.872 13.872 ( -0.089 -6.331 9.634) 11.529 14.170 ( -3.016 -1.734 -3.423) 4.880 ======================= Grid point 595 (299/462) ======================= q-point: (-0.23 -0.54 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -14.189 11.479 -0.437) 18.256 3.513 ( -0.709 -0.452 4.558) 4.634 4.409 ( -12.159 -21.958 11.165) 27.471 4.699 ( -2.175 -0.265 -8.129) 8.419 5.589 ( 5.610 -3.269 12.862) 14.408 5.930 ( 5.966 13.074 -3.254) 14.734 6.966 ( -12.882 -29.540 15.058) 35.571 7.547 ( -3.998 -16.844 16.735) 24.078 8.412 ( 10.690 14.288 -16.996) 24.643 9.332 ( 6.330 11.343 -9.142) 15.885 11.665 ( -1.767 6.091 -4.302) 7.664 11.762 ( 2.658 3.879 -0.091) 4.703 12.482 ( -5.575 -5.643 0.347) 7.940 12.842 ( -0.681 2.701 -6.971) 7.507 13.015 ( 0.208 -0.819 6.037) 6.096 13.235 ( 0.314 2.110 -4.025) 4.556 14.019 ( 0.283 -5.257 8.723) 10.189 14.144 ( -2.640 -1.990 -1.958) 3.842 ======================= Grid point 596 (300/462) ======================= q-point: (-0.15 -0.54 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -9.365 6.916 1.807) 11.781 3.548 ( -1.597 -2.287 4.189) 5.033 4.323 ( -10.849 6.241 -10.839) 16.557 4.873 ( -4.623 -23.609 5.801) 24.746 5.740 ( 7.965 13.522 9.377) 18.282 5.851 ( 2.514 -2.600 4.309) 5.625 7.303 ( -10.045 -26.624 9.985) 30.157 7.787 ( -4.943 -3.514 15.511) 16.655 8.307 ( 8.585 -2.376 -13.789) 16.416 9.149 ( 4.577 17.326 -5.069) 18.624 11.553 ( 0.492 4.273 -3.167) 5.341 11.752 ( 3.186 2.741 -0.442) 4.226 12.478 ( -5.769 -5.595 -3.743) 8.866 12.715 ( -3.069 3.661 -8.753) 9.972 13.085 ( 0.606 -2.373 5.988) 6.470 13.192 ( 1.448 3.437 -1.188) 3.914 14.121 ( -2.157 -0.501 0.230) 2.227 14.144 ( 0.178 -3.534 6.512) 7.411 ======================= Grid point 597 (301/462) ======================= q-point: (-0.08 -0.54 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -2.568 1.071 3.242) 4.273 3.598 ( -2.688 -4.641 4.089) 6.744 3.995 ( -7.282 10.017 -15.307) 19.690 5.145 ( -4.787 -15.096 6.484) 17.113 5.597 ( -1.276 10.059 -0.877) 10.177 6.064 ( 6.567 -3.748 14.914) 16.722 7.581 ( -10.617 -18.266 10.779) 23.719 7.705 ( 0.895 13.014 1.835) 13.173 8.510 ( 1.756 -20.547 -2.802) 20.811 8.909 ( 2.503 18.511 -2.828) 18.892 11.530 ( 4.723 1.514 -0.518) 4.987 11.757 ( 3.137 1.294 -1.064) 3.556 12.445 ( -5.110 -4.360 -6.708) 9.493 12.563 ( -4.077 2.237 -9.095) 10.215 13.140 ( 1.141 4.166 0.977) 4.428 13.184 ( 1.468 -2.779 3.942) 5.041 14.082 ( -2.584 1.823 0.234) 3.171 14.232 ( 0.676 -1.423 6.492) 6.681 ======================= Grid point 605 (302/462) ======================= q-point: (-0.46 -0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( -8.197 0.000 13.238) 15.571 3.490 ( -5.825 0.000 6.538) 8.757 4.188 ( -24.717 0.000 -2.314) 24.825 4.663 ( 9.374 -0.000 23.638) 25.429 5.015 ( 16.964 -0.000 -11.085) 20.265 5.781 ( -25.911 0.000 36.952) 45.131 6.415 ( 5.426 -0.000 -13.820) 14.847 7.048 ( -7.329 0.000 12.623) 14.597 9.102 ( 11.314 -0.000 -17.975) 21.239 9.341 ( 11.244 -0.000 -18.473) 21.626 11.826 ( 6.449 -0.000 4.499) 7.863 12.084 ( -4.561 0.000 -6.428) 7.882 12.306 ( -9.702 0.000 11.446) 15.005 12.845 ( 5.619 -0.000 -2.133) 6.010 13.041 ( 2.495 -0.000 -0.149) 2.499 13.385 ( -3.411 0.000 -7.908) 8.612 13.629 ( -0.379 0.000 11.287) 11.293 14.220 ( -3.739 0.000 -7.284) 8.188 ======================= Grid point 606 (303/462) ======================= q-point: (-0.38 -0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( -9.192 -3.636 9.206) 13.508 3.439 ( -7.847 0.207 4.906) 9.257 3.872 ( -24.834 -1.751 3.304) 25.114 4.871 ( 7.140 6.294 12.269) 15.528 5.210 ( 16.883 -6.259 -3.654) 18.373 5.807 ( -29.252 -13.818 40.831) 52.094 6.379 ( 6.724 0.998 -16.703) 18.034 7.079 ( -3.807 -2.480 12.299) 13.112 9.024 ( 12.085 11.953 -17.598) 24.466 9.401 ( 10.923 -4.971 -17.605) 21.307 11.903 ( 5.203 4.102 4.472) 7.993 11.956 ( -5.775 1.989 -7.046) 9.325 12.306 ( -7.484 -3.578 10.470) 13.358 12.889 ( 3.658 -0.167 -2.960) 4.709 13.050 ( 1.082 2.064 1.168) 2.607 13.296 ( -2.609 -0.978 -8.032) 8.502 13.728 ( -0.101 -3.151 11.374) 11.803 14.134 ( -3.369 -0.684 -5.732) 6.683 ======================= Grid point 607 (304/462) ======================= q-point: (-0.31 -0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( -13.730 8.885 -1.791) 16.452 3.420 ( -7.864 -6.156 4.056) 10.780 3.795 ( -18.415 -17.030 15.180) 29.319 4.855 ( 3.523 9.837 -0.135) 10.449 5.459 ( 5.396 -4.985 9.129) 11.718 6.003 ( -18.196 -18.225 28.491) 38.405 6.346 ( 4.220 -3.220 -10.389) 11.667 7.202 ( -1.258 -7.202 12.548) 14.523 8.856 ( 11.855 15.752 -16.792) 25.896 9.461 ( 10.329 -1.287 -15.875) 18.983 11.801 ( -5.568 2.561 -6.508) 8.940 11.915 ( 3.929 6.793 4.524) 9.058 12.341 ( -6.168 -4.230 6.275) 9.763 12.880 ( -0.224 0.289 -5.826) 5.838 13.039 ( -0.267 2.050 3.497) 4.062 13.250 ( 0.890 -0.828 -5.584) 5.715 13.864 ( 0.013 -5.030 10.777) 11.893 14.082 ( -2.671 -2.011 -3.958) 5.181 ======================= Grid point 608 (305/462) ======================= q-point: (-0.23 -0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -13.178 10.350 -1.339) 16.810 3.422 ( -8.801 -6.513 0.795) 10.978 4.031 ( -14.189 -25.366 18.091) 34.235 4.703 ( 1.462 11.173 -9.339) 14.636 5.630 ( -4.791 -7.567 17.869) 19.988 6.111 ( 1.968 3.884 1.885) 4.744 6.526 ( -7.458 -24.387 8.627) 26.922 7.419 ( -1.169 -12.288 14.829) 19.294 8.651 ( 11.090 17.177 -16.418) 26.221 9.458 ( 9.081 4.643 -12.884) 16.432 11.669 ( -3.159 2.795 -4.596) 6.238 11.886 ( 2.929 7.100 3.440) 8.416 12.346 ( -6.226 -3.588 1.279) 7.299 12.800 ( -1.895 1.750 -8.530) 8.911 13.047 ( -1.209 0.010 5.990) 6.111 13.250 ( 2.933 0.567 -3.207) 4.383 14.009 ( -0.100 -5.516 9.155) 10.689 14.066 ( -2.042 -2.840 -2.028) 4.043 ======================= Grid point 609 (306/462) ======================= q-point: (-0.15 -0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -8.214 6.511 1.620) 10.606 3.403 ( -10.221 -8.206 -1.625) 13.208 4.268 ( -8.400 -4.747 8.533) 12.880 4.542 ( -4.164 -8.555 -6.112) 11.308 5.824 ( -3.719 -9.353 13.601) 16.920 6.044 ( 4.016 10.687 4.531) 12.283 6.853 ( -10.030 -28.105 9.144) 31.210 7.695 ( -3.253 -14.112 16.540) 21.984 8.434 ( 10.289 15.447 -16.768) 25.013 9.370 ( 6.873 11.442 -8.844) 16.011 11.596 ( 0.759 2.211 -1.538) 2.798 11.846 ( 2.639 5.623 1.276) 6.342 12.314 ( -6.167 -3.660 -2.427) 7.570 12.675 ( -1.524 4.011 -9.520) 10.442 13.094 ( -0.995 -2.410 6.374) 6.886 13.246 ( 2.541 2.335 -2.127) 4.054 14.062 ( -2.122 -2.732 -1.376) 3.723 14.146 ( 0.053 -4.477 8.262) 9.397 ======================= Grid point 610 (307/462) ======================= q-point: (-0.08 -0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -2.108 0.972 4.212) 4.809 3.383 ( -10.600 -10.664 -4.581) 15.719 4.076 ( 0.535 15.527 -8.058) 17.502 4.768 ( -11.497 -27.434 8.595) 30.962 5.755 ( -3.100 13.304 -3.225) 14.036 6.191 ( 4.506 -5.696 19.712) 21.007 7.175 ( -11.223 -27.845 9.272) 31.421 7.868 ( -3.398 1.804 10.404) 11.092 8.318 ( 6.691 -2.696 -11.676) 13.724 9.183 ( 3.555 17.958 -4.780) 18.920 11.613 ( 5.251 0.508 1.377) 5.452 11.820 ( 3.059 3.260 -0.757) 4.534 12.273 ( -5.014 -4.334 -4.918) 8.253 12.524 ( -1.104 5.681 -9.761) 11.347 13.174 ( 0.332 -3.902 4.809) 6.202 13.215 ( 1.241 3.703 -1.200) 4.085 14.057 ( -2.217 -1.012 -0.260) 2.451 14.251 ( -0.109 -3.070 6.853) 7.510 ======================= Grid point 619 (308/462) ======================= q-point: (-0.38 -0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -10.459 0.000 8.450) 13.446 3.358 ( -10.248 0.000 2.554) 10.561 3.553 ( -27.003 0.000 6.317) 27.732 5.178 ( 8.750 -0.000 17.071) 19.183 5.265 ( 14.617 -0.000 -12.296) 19.101 5.611 ( -35.633 0.000 47.400) 59.300 6.355 ( 8.720 -0.000 -19.565) 21.420 7.115 ( -1.388 0.000 12.754) 12.830 9.164 ( 14.082 -0.000 -17.789) 22.688 9.357 ( 10.422 -0.000 -17.242) 20.146 11.832 ( -7.553 0.000 -6.821) 10.177 12.028 ( 4.660 -0.000 3.848) 6.044 12.275 ( -5.814 0.000 10.861) 12.319 12.881 ( -0.424 0.000 -5.275) 5.292 13.080 ( -0.180 0.000 1.767) 1.776 13.224 ( 0.960 -0.000 -6.010) 6.086 13.787 ( -0.030 0.000 11.778) 11.778 14.052 ( -2.793 0.000 -5.094) 5.809 ======================= Grid point 620 (309/462) ======================= q-point: (-0.31 -0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( -12.734 6.125 -3.130) 14.473 3.236 ( -13.393 -4.056 4.615) 14.735 3.435 ( -21.778 -14.485 16.338) 30.839 5.105 ( 4.931 17.041 -1.266) 17.786 5.461 ( -11.425 -4.101 19.723) 23.159 5.691 ( -15.542 -21.320 28.198) 38.616 6.337 ( 10.261 0.110 -17.155) 19.990 7.223 ( 1.191 -2.658 13.237) 13.553 9.096 ( 13.091 13.521 -16.871) 25.275 9.431 ( 11.218 -5.616 -16.589) 20.799 11.696 ( -6.848 -0.044 -5.628) 8.864 12.070 ( 2.988 4.149 3.902) 6.432 12.290 ( -4.530 -0.521 7.908) 9.128 12.813 ( -2.864 -0.201 -7.169) 7.722 13.075 ( -1.518 1.274 3.162) 3.731 13.234 ( 4.027 -1.079 -3.917) 5.720 13.886 ( -0.264 -2.616 11.252) 11.555 14.000 ( -2.070 -1.460 -4.045) 4.773 ======================= Grid point 621 (310/462) ======================= q-point: (-0.23 -0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -11.952 8.405 -1.820) 14.724 3.174 ( -13.329 -7.812 -1.908) 15.567 3.609 ( -18.685 -25.547 21.098) 38.038 4.872 ( 1.994 17.006 -9.191) 19.433 5.509 ( -23.242 -10.326 33.405) 41.985 5.998 ( -8.083 -18.166 14.114) 24.383 6.374 ( 11.595 -2.181 -13.489) 17.921 7.398 ( 1.659 -5.930 14.509) 15.761 8.916 ( 11.401 17.170 -15.896) 26.028 9.508 ( 11.104 -1.054 -14.976) 18.674 11.604 ( -4.067 -1.218 -3.598) 5.565 12.052 ( 2.344 7.022 4.037) 8.432 12.268 ( -4.975 0.711 3.174) 5.944 12.736 ( -1.224 0.167 -7.830) 7.927 13.064 ( -2.758 0.309 5.131) 5.834 13.273 ( 4.171 -0.281 -3.355) 5.360 13.972 ( -1.626 -2.931 -0.831) 3.453 14.016 ( -0.588 -4.288 7.886) 8.996 ======================= Grid point 622 (311/462) ======================= q-point: (-0.15 -0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -8.038 5.311 1.943) 9.828 3.102 ( -13.065 -9.554 -6.024) 17.270 3.921 ( -17.017 -28.936 19.994) 39.072 4.576 ( 0.175 16.183 -11.974) 20.132 5.671 ( -16.873 -16.247 28.636) 36.996 6.128 ( -8.918 -4.385 10.526) 14.476 6.525 ( 6.642 -13.104 -6.072) 15.896 7.616 ( -0.647 -9.015 15.094) 17.593 8.688 ( 9.995 18.590 -15.371) 26.110 9.511 ( 9.403 5.393 -12.193) 16.314 11.587 ( -0.210 -2.641 -1.015) 2.837 11.995 ( 2.440 8.660 3.073) 9.508 12.210 ( -4.712 0.012 -0.218) 4.717 12.659 ( 1.045 3.050 -8.612) 9.196 13.080 ( -2.978 -2.314 5.923) 7.022 13.288 ( 3.100 1.356 -3.217) 4.669 13.984 ( -1.612 -3.507 -1.829) 4.271 14.134 ( -0.843 -4.912 8.326) 9.704 ======================= Grid point 623 (312/462) ======================= q-point: (-0.08 -0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -4.691 -0.268 5.595) 7.306 3.047 ( -10.116 -11.127 -9.470) 17.772 4.220 ( -7.538 -7.358 10.471) 14.853 4.311 ( -8.962 -6.493 -2.583) 11.364 5.805 ( -3.913 0.668 2.037) 4.462 6.217 ( -11.341 -13.249 28.225) 33.179 6.766 ( -1.126 -19.241 -0.810) 19.291 7.821 ( -4.690 -9.528 14.626) 18.075 8.447 ( 9.182 16.731 -15.395) 24.520 9.410 ( 6.211 12.831 -8.427) 16.560 11.653 ( 3.043 -4.119 0.696) 5.168 11.931 ( 3.410 7.352 1.646) 8.270 12.161 ( -2.842 -0.926 -2.136) 3.674 12.550 ( 2.117 6.451 -8.959) 11.241 13.139 ( -1.602 -4.775 4.617) 6.833 13.266 ( 1.758 2.928 -2.728) 4.371 14.001 ( -1.727 -2.974 -0.697) 3.509 14.239 ( -1.187 -4.381 6.608) 8.017 ======================= Grid point 633 (313/462) ======================= q-point: (-0.31 -0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -11.210 0.000 -5.075) 12.306 3.045 ( -16.075 0.000 -2.188) 16.223 3.177 ( -24.089 0.000 27.467) 36.534 5.258 ( 1.131 -0.000 -18.370) 18.405 5.374 ( -40.036 0.000 51.948) 65.586 5.554 ( 6.292 -0.000 10.951) 12.630 6.358 ( 11.453 -0.000 -14.458) 18.445 7.330 ( 3.688 -0.000 13.093) 13.602 9.285 ( 15.295 -0.000 -16.724) 22.664 9.369 ( 9.418 -0.000 -15.975) 18.544 11.578 ( -6.187 0.000 -3.809) 7.266 12.139 ( 0.570 -0.000 2.367) 2.434 12.315 ( -1.944 0.000 8.335) 8.559 12.724 ( -2.540 0.000 -7.065) 7.508 13.079 ( -2.817 0.000 3.308) 4.345 13.259 ( 5.071 -0.000 -3.506) 6.165 13.939 ( -1.474 0.000 -4.005) 4.268 13.940 ( -0.864 0.000 11.073) 11.107 ======================= Grid point 634 (314/462) ======================= q-point: (-0.23 -0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -10.586 6.478 -1.443) 12.494 2.867 ( -16.365 -7.134 -5.130) 18.575 3.213 ( -22.863 -17.212 27.960) 40.009 5.009 ( -2.303 12.419 -16.330) 20.644 5.290 ( -38.161 -7.407 50.861) 64.015 5.797 ( 1.202 -12.715 7.590) 14.857 6.410 ( 11.369 -0.841 -12.832) 17.164 7.483 ( 3.826 -1.602 13.401) 14.028 9.175 ( 11.480 15.535 -15.341) 24.667 9.491 ( 12.109 -6.541 -15.540) 20.758 11.510 ( -3.685 -1.966 -1.426) 4.414 12.140 ( -0.756 1.171 1.531) 2.071 12.314 ( -0.745 5.536 6.046) 8.232 12.670 ( 0.094 -1.345 -6.382) 6.523 13.059 ( -3.984 0.321 4.164) 5.772 13.297 ( 4.526 -0.275 -3.733) 5.873 13.907 ( -1.093 -1.523 -3.362) 3.849 14.018 ( -1.582 -2.697 9.766) 10.254 ======================= Grid point 635 (315/462) ======================= q-point: (-0.15 -0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -13.211 3.256 1.912) 13.740 2.770 ( -10.048 -8.848 -7.848) 15.519 3.447 ( -21.305 -26.949 26.041) 43.108 4.690 ( -2.838 13.374 -12.941) 18.825 5.376 ( -33.153 -18.850 47.423) 60.856 5.978 ( -4.013 -8.113 5.678) 10.684 6.489 ( 10.985 -4.029 -11.808) 16.623 7.641 ( 0.987 -2.841 13.684) 14.010 8.964 ( 9.765 18.452 -14.227) 25.264 9.582 ( 11.537 -0.229 -14.191) 18.290 11.524 ( -0.862 -4.274 0.633) 4.406 12.116 ( -0.742 1.898 0.505) 2.100 12.243 ( 0.708 8.722 4.053) 9.644 12.659 ( 3.356 0.457 -6.723) 7.528 13.042 ( -4.834 -1.535 4.981) 7.109 13.316 ( 3.353 0.755 -4.001) 5.275 13.906 ( -0.995 -3.077 -2.491) 4.082 14.108 ( -2.151 -4.418 8.024) 9.409 ======================= Grid point 636 (316/462) ======================= q-point: (-0.08 -0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -16.284 -4.924 4.480) 17.593 2.760 ( -1.228 -7.866 -8.678) 11.776 3.761 ( -20.105 -29.256 23.104) 42.354 4.405 ( -1.795 12.913 -8.090) 15.344 5.645 ( -20.035 -23.403 32.744) 44.959 6.016 ( -11.147 -5.853 11.643) 17.148 6.626 ( 8.572 -7.902 -9.297) 14.911 7.766 ( -3.969 -4.255 13.412) 14.620 8.716 ( 8.969 19.607 -13.520) 25.449 9.572 ( 9.330 7.199 -11.959) 16.790 11.602 ( 0.526 -5.733 0.898) 5.827 12.078 ( 0.475 3.539 0.083) 3.572 12.177 ( 3.177 6.788 2.991) 8.070 12.621 ( 4.827 5.551 -7.405) 10.438 13.068 ( -3.644 -5.233 4.160) 7.614 13.302 ( 2.139 2.119 -3.806) 4.853 13.929 ( -1.088 -3.753 -1.278) 4.111 14.195 ( -2.529 -5.046 6.009) 8.244 ======================= Grid point 647 (317/462) ======================= q-point: (-0.23 -0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -24.962 0.000 -5.475) 25.555 2.585 ( -3.609 0.000 0.442) 3.636 3.015 ( -23.792 0.000 32.038) 39.906 4.905 ( -7.405 0.000 -15.566) 17.238 5.112 ( -41.322 0.000 52.970) 67.181 5.811 ( 4.583 -0.000 7.284) 8.606 6.442 ( 9.257 -0.000 -12.601) 15.636 7.612 ( 3.632 -0.000 12.517) 13.034 9.368 ( 8.178 -0.000 -15.117) 17.187 9.440 ( 15.460 -0.000 -14.733) 21.356 11.459 ( -1.973 0.000 1.310) 2.368 12.131 ( -1.972 0.000 0.212) 1.983 12.417 ( 2.269 -0.000 6.188) 6.591 12.622 ( 1.219 -0.000 -5.421) 5.557 13.036 ( -4.673 0.000 3.665) 5.939 13.322 ( 4.148 -0.000 -4.076) 5.815 13.861 ( -0.616 0.000 -3.646) 3.698 14.038 ( -2.775 0.000 8.942) 9.363 ======================= Grid point 648 (318/462) ======================= q-point: (-0.15 -0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -27.303 -2.004 -2.806) 27.519 2.607 ( 1.462 -3.178 0.037) 3.499 3.072 ( -23.431 -16.215 33.317) 43.840 4.678 ( -5.363 5.698 -13.000) 15.173 5.057 ( -41.007 -11.783 54.914) 69.541 5.929 ( 1.898 -3.026 4.797) 5.980 6.471 ( 8.110 -2.717 -13.221) 15.746 7.728 ( 0.644 0.052 12.033) 12.050 9.222 ( 9.096 15.376 -13.951) 22.667 9.595 ( 13.672 -4.948 -14.567) 20.581 11.480 ( -0.372 -2.511 3.348) 4.201 12.105 ( -1.370 0.179 -1.047) 1.733 12.429 ( 3.586 8.087 4.641) 9.990 12.648 ( 4.255 -3.369 -4.349) 6.955 12.998 ( -5.529 0.077 3.672) 6.638 13.336 ( 3.257 0.479 -4.399) 5.495 13.843 ( -0.401 -1.831 -3.114) 3.634 14.075 ( -3.579 -2.770 7.276) 8.569 ======================= Grid point 649 (319/462) ======================= q-point: (-0.08 -0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -25.392 -9.055 3.014) 27.127 2.697 ( 6.492 -3.153 -1.222) 7.320 3.315 ( -21.967 -24.501 31.505) 45.557 4.463 ( -2.415 7.493 -7.842) 11.112 5.226 ( -34.804 -26.350 51.281) 67.345 5.972 ( -1.151 0.689 1.485) 2.001 6.545 ( 7.063 -7.048 -12.337) 15.867 7.783 ( -4.321 0.621 11.410) 12.216 9.000 ( 8.691 18.505 -12.601) 24.016 9.674 ( 12.010 2.131 -14.480) 18.933 11.551 ( -0.001 -3.809 3.485) 5.162 12.081 ( -0.243 0.298 -2.275) 2.307 12.388 ( 5.027 8.966 4.705) 11.305 12.708 ( 7.341 2.381 -5.722) 9.607 12.970 ( -5.898 -4.013 3.820) 8.091 13.325 ( 2.325 1.474 -4.468) 5.248 13.858 ( -0.361 -3.406 -1.970) 3.951 14.125 ( -3.963 -4.702 5.194) 8.049 ======================= Grid point 661 (320/462) ======================= q-point: (-0.15 -0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -29.164 0.000 2.331) 29.257 2.651 ( 5.709 -0.000 3.580) 6.739 2.919 ( -23.674 0.000 38.440) 45.145 4.570 ( -3.971 0.000 -10.502) 11.227 4.846 ( -43.419 0.000 58.201) 72.612 5.970 ( 1.549 -0.000 3.697) 4.008 6.440 ( 6.912 -0.000 -15.104) 16.610 7.803 ( -2.071 0.000 10.545) 10.746 9.348 ( 7.552 -0.000 -15.032) 16.822 9.629 ( 15.822 -0.000 -13.849) 21.027 11.495 ( 0.190 -0.000 5.546) 5.549 12.083 ( -0.462 0.000 -2.247) 2.294 12.604 ( 6.001 -0.000 5.568) 8.187 12.612 ( 3.108 -0.000 -3.937) 5.016 12.958 ( -4.838 0.000 1.921) 5.206 13.345 ( 2.781 -0.000 -4.683) 5.447 13.806 ( 0.063 -0.000 -3.118) 3.119 14.051 ( -4.644 0.000 5.976) 7.569 ======================= Grid point 662 (321/462) ======================= q-point: (-0.08 -0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -20.859 -5.617 14.461) 25.996 2.769 ( 8.899 -1.242 1.042) 9.045 3.021 ( -22.482 -13.727 41.329) 49.009 4.461 ( -0.196 2.644 -6.737) 7.240 4.847 ( -40.152 -16.294 58.738) 72.992 5.981 ( -1.520 1.024 0.173) 1.841 6.445 ( 6.526 -4.433 -15.959) 17.802 7.812 ( -5.894 1.609 9.024) 10.898 9.238 ( 8.216 12.788 -13.649) 20.428 9.729 ( 13.324 -0.824 -15.877) 20.744 11.550 ( 0.033 -1.308 6.117) 6.255 12.063 ( 0.370 -0.007 -3.313) 3.334 12.575 ( 4.244 5.838 1.547) 7.381 12.767 ( 7.324 -4.517 -0.570) 8.623 12.890 ( -5.948 1.814 0.918) 6.285 13.336 ( 2.193 0.806 -4.975) 5.497 13.804 ( 0.375 -2.047 -2.254) 3.068 14.047 ( -5.245 -2.992 4.097) 7.298 ======================= Grid point 675 (322/462) ======================= q-point: (-0.08 -0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -6.141 0.000 28.558) 29.211 2.841 ( 0.100 -0.000 7.754) 7.755 3.019 ( -10.746 0.000 40.299) 41.707 4.451 ( -0.540 0.000 0.129) 0.555 4.667 ( -35.175 0.000 58.797) 68.516 5.936 ( -6.272 0.000 -2.548) 6.770 6.375 ( 7.067 -0.000 -18.930) 20.206 7.798 ( -7.348 0.000 6.834) 10.035 9.329 ( 8.142 -0.000 -15.010) 17.077 9.760 ( 11.024 -0.000 -17.092) 20.339 11.591 ( -0.148 0.000 7.489) 7.490 12.043 ( 0.594 -0.000 -4.097) 4.140 12.664 ( 4.569 -0.000 -2.083) 5.021 12.759 ( -5.174 0.000 5.377) 7.462 12.887 ( 3.192 -0.000 -3.142) 4.479 13.330 ( 1.870 -0.000 -5.568) 5.874 13.784 ( 1.031 -0.000 -1.644) 1.941 13.978 ( -6.211 0.000 2.740) 6.789 ======================= Grid point 676 (323/462) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -2.467 0.000 23.036) 23.168 3.063 ( 7.272 -0.000 -1.923) 7.522 4.148 ( -10.840 0.000 36.674) 38.243 4.760 ( 13.660 -0.000 7.237) 15.459 5.313 ( -22.428 0.000 -10.789) 24.888 5.584 ( 10.722 -0.000 -12.845) 16.732 6.182 ( -17.094 0.000 40.221) 43.703 7.646 ( 2.361 -0.000 -13.047) 13.259 9.061 ( 4.874 -0.000 -7.330) 8.802 9.355 ( 5.285 -0.000 -15.715) 16.580 11.796 ( -0.225 0.000 3.689) 3.696 11.907 ( -0.023 0.000 -3.301) 3.301 12.668 ( -9.846 0.000 5.867) 11.462 12.780 ( 5.575 -0.000 0.683) 5.617 12.944 ( 1.188 -0.000 0.226) 1.210 13.131 ( 1.809 -0.000 -8.010) 8.211 13.829 ( 3.293 -0.000 1.005) 3.443 13.860 ( -5.635 0.000 0.005) 5.635 ======================= Grid point 677 (324/462) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( -5.616 0.228 16.244) 17.189 3.136 ( 6.048 -1.965 -5.157) 8.187 4.269 ( -10.779 -1.612 32.834) 34.595 4.918 ( -14.260 0.827 -0.541) 14.294 5.024 ( -2.430 -6.711 1.491) 7.292 5.627 ( 14.138 -0.815 -21.161) 25.463 6.415 ( -6.310 -10.260 44.311) 45.919 7.612 ( 5.053 -1.245 -11.879) 12.969 9.025 ( 3.408 5.682 -5.848) 8.837 9.294 ( 5.093 1.520 -16.280) 17.126 11.782 ( -0.811 4.312 3.587) 5.667 11.883 ( -0.071 0.638 -3.410) 3.470 12.617 ( -9.021 -3.134 6.546) 11.578 12.861 ( 4.636 -1.348 0.872) 4.907 12.947 ( 0.219 1.080 0.767) 1.343 13.095 ( 1.632 0.010 -8.089) 8.252 13.812 ( -5.129 -2.404 0.062) 5.665 13.894 ( 3.779 -1.686 1.894) 4.550 ======================= Grid point 678 (325/462) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -7.227 1.689 10.053) 12.496 3.179 ( 5.129 -2.557 -11.339) 12.705 4.401 ( -11.748 -8.597 24.184) 28.227 4.621 ( -19.953 2.328 1.584) 20.151 5.248 ( 6.379 -11.200 1.963) 13.038 5.682 ( 11.541 -3.522 -14.029) 18.505 6.844 ( 0.990 -12.285 37.360) 39.341 7.635 ( 3.704 -3.288 -6.115) 7.869 8.912 ( 1.970 10.034 -4.520) 11.180 9.217 ( 6.541 2.250 -18.519) 19.769 11.725 ( -0.903 6.351 4.978) 8.120 11.834 ( 0.201 2.533 -3.650) 4.447 12.607 ( -8.557 -4.343 3.884) 10.352 12.915 ( 0.601 -0.469 -1.227) 1.444 12.937 ( -0.147 1.766 2.624) 3.166 13.077 ( 4.002 -1.109 -6.197) 7.460 13.802 ( -4.602 -4.778 0.320) 6.641 13.993 ( 4.090 -3.069 2.928) 5.892 ======================= Grid point 679 (326/462) ======================= q-point: ( 0.23 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -6.338 3.431 4.449) 8.470 3.186 ( 3.622 -4.921 -15.201) 16.383 4.351 ( -14.606 -1.646 -6.306) 15.994 4.622 ( -9.444 -7.619 31.646) 33.892 5.467 ( 10.682 -11.259 -14.890) 21.508 5.831 ( 6.362 -7.524 3.309) 10.394 7.228 ( -0.651 -7.468 28.093) 29.076 7.720 ( 0.609 -8.506 2.043) 8.769 8.740 ( 0.910 13.012 -3.709) 13.561 9.138 ( 8.395 2.578 -20.410) 22.219 11.663 ( 0.120 7.237 6.266) 9.573 11.779 ( 1.100 3.031 -2.720) 4.219 12.551 ( -8.968 -1.474 -1.224) 9.170 12.852 ( -2.677 2.943 -6.800) 7.878 12.950 ( -0.889 -0.693 5.367) 5.484 13.140 ( 5.785 -2.057 -1.830) 6.407 13.838 ( -3.688 -6.959 1.024) 7.942 14.113 ( 3.865 -3.579 3.790) 6.489 ======================= Grid point 680 (327/462) ======================= q-point: ( 0.31 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -2.796 3.007 2.338) 4.725 3.211 ( 2.712 -9.015 -15.674) 18.284 4.153 ( -9.499 5.191 -2.016) 11.010 4.854 ( -7.286 -12.263 22.920) 26.996 5.607 ( 12.083 -7.158 -21.547) 25.720 6.065 ( 3.055 -8.866 12.333) 15.493 7.389 ( -6.552 -0.631 17.909) 19.081 7.940 ( -0.277 -16.799 8.178) 18.686 8.527 ( -0.273 15.057 -2.560) 15.275 9.064 ( 8.688 3.761 -18.843) 21.088 11.623 ( 2.232 7.029 6.790) 10.025 11.743 ( 1.971 2.659 -1.765) 3.752 12.428 ( -8.531 0.149 -4.096) 9.465 12.692 ( -4.286 5.538 -9.173) 11.541 13.001 ( -1.041 -2.811 4.885) 5.731 13.225 ( 5.123 -1.238 -0.135) 5.273 13.911 ( -2.706 -7.489 1.560) 8.115 14.231 ( 3.057 -3.141 4.241) 6.099 ======================= Grid point 681 (328/462) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 1.181 1.710 3.900) 4.419 3.284 ( 2.336 -12.471 -15.589) 20.099 3.937 ( -6.997 10.351 -0.132) 12.494 5.087 ( -4.870 -12.919 14.432) 19.973 5.646 ( 6.832 0.476 -15.041) 16.526 6.300 ( 2.591 -7.049 12.722) 14.773 7.411 ( -7.077 -2.783 10.290) 12.795 8.239 ( 4.195 -17.387 -3.691) 18.263 8.283 ( -6.767 14.968 8.506) 18.498 8.973 ( 5.425 6.890 -11.669) 14.597 11.623 ( 4.818 5.597 6.352) 9.741 11.728 ( 2.437 1.427 -1.992) 3.456 12.307 ( -6.101 -0.744 -4.752) 7.769 12.479 ( -5.350 6.453 -10.026) 13.068 13.061 ( -0.873 -3.265 3.089) 4.579 13.291 ( 3.929 0.146 0.676) 3.989 13.988 ( -2.046 -5.924 1.523) 6.450 14.328 ( 1.908 -2.116 4.258) 5.123 ======================= Grid point 682 (329/462) ======================= q-point: (-0.54 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 3.893 1.664 5.458) 6.907 3.348 ( -1.783 -7.830 -15.789) 17.714 3.735 ( -3.176 6.830 2.317) 7.881 5.276 ( -1.734 -8.806 5.753) 10.661 5.547 ( -2.847 7.420 -2.638) 8.374 6.494 ( 2.277 -4.777 10.743) 11.976 7.479 ( -1.987 -9.653 1.939) 10.044 7.997 ( -4.028 18.936 1.148) 19.393 8.510 ( 1.531 -14.005 -0.378) 14.093 8.847 ( -1.577 7.316 0.195) 7.487 11.670 ( 6.072 2.479 2.547) 7.035 11.747 ( 4.065 -0.324 0.054) 4.078 12.224 ( -5.105 -0.153 -9.058) 10.398 12.276 ( -3.141 3.453 -4.887) 6.758 13.110 ( -0.464 -2.977 1.141) 3.222 13.324 ( 2.341 1.605 1.113) 3.049 14.038 ( -1.641 -3.115 1.140) 3.701 14.392 ( 0.653 -0.678 3.825) 3.939 ======================= Grid point 683 (330/462) ======================= q-point: (-0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 5.547 2.529 5.861) 8.457 3.152 ( -9.647 9.891 -9.913) 17.005 3.779 ( 2.324 -9.549 -0.767) 9.858 5.225 ( -6.508 16.712 6.816) 19.186 5.492 ( -3.289 -8.321 0.674) 8.972 6.628 ( 1.044 -2.582 6.372) 6.954 7.659 ( 4.260 -15.396 -4.883) 16.705 7.676 ( -8.421 21.404 9.097) 24.734 8.529 ( -1.130 12.471 2.875) 12.848 8.868 ( -0.894 -12.858 -0.912) 12.921 11.714 ( 4.023 0.276 -2.895) 4.964 11.857 ( 7.442 -2.029 5.726) 9.607 12.062 ( -5.493 -0.145 -10.232) 11.614 12.254 ( 1.549 -1.525 -2.468) 3.289 13.148 ( 0.155 -2.448 -0.650) 2.538 13.318 ( 0.432 2.955 1.337) 3.272 14.048 ( -1.293 -0.005 0.682) 1.461 14.414 ( -0.621 1.069 2.979) 3.225 ======================= Grid point 684 (331/462) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 4.902 4.944 8.636) 11.092 2.790 ( -10.482 12.977 -8.001) 18.501 3.957 ( 2.299 -11.882 -1.428) 12.186 4.906 ( -13.310 21.518 16.641) 30.283 5.579 ( 1.387 -7.157 -5.505) 9.135 6.659 ( -0.313 1.535 -2.679) 3.103 7.337 ( -13.357 23.286 22.007) 34.713 7.925 ( 8.560 -17.959 -9.582) 22.082 8.326 ( -8.120 14.029 13.063) 20.818 9.040 ( 5.752 -12.026 -10.639) 17.056 11.706 ( 0.447 2.119 -2.326) 3.178 11.975 ( -2.173 -3.753 -5.071) 6.672 12.061 ( 8.210 -5.924 4.251) 10.981 12.305 ( 4.594 -3.344 -3.055) 6.452 13.173 ( 0.895 -1.861 -2.293) 3.086 13.271 ( -1.568 4.206 1.477) 4.725 14.018 ( -0.867 2.786 0.166) 2.923 14.388 ( -1.934 2.811 1.910) 3.910 ======================= Grid point 685 (332/462) ======================= q-point: (-0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -13.290 16.063 8.366) 22.465 2.717 ( 9.118 1.848 -0.671) 9.328 4.123 ( 2.116 -8.723 -0.538) 8.992 4.568 ( -16.293 20.838 24.104) 35.787 5.640 ( 4.246 -4.528 -10.248) 11.981 6.524 ( -2.127 8.818 -10.732) 14.052 7.029 ( -18.601 21.738 34.788) 45.041 8.078 ( -1.453 4.859 -2.880) 5.832 8.289 ( 0.886 -14.193 6.479) 15.627 9.183 ( 9.877 -8.495 -16.511) 21.032 11.662 ( -1.532 1.097 -0.021) 1.884 11.973 ( -0.856 -3.593 -5.950) 7.003 12.299 ( 7.898 -7.203 7.414) 13.009 12.414 ( 6.818 -5.257 -3.631) 9.344 13.184 ( -2.440 4.337 0.607) 5.013 13.190 ( 0.642 -0.360 -2.816) 2.911 13.957 ( -0.276 4.784 -0.444) 4.812 14.317 ( -3.321 4.159 0.869) 5.393 ======================= Grid point 686 (333/462) ======================= q-point: (-0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -8.090 11.184 19.017) 23.498 2.806 ( 10.024 1.802 -0.483) 10.196 4.197 ( -8.264 7.273 17.518) 20.690 4.333 ( -4.984 6.209 13.656) 15.807 5.660 ( 5.170 -1.931 -13.625) 14.700 6.252 ( -6.248 12.214 -7.677) 15.721 6.748 ( -21.236 19.992 35.787) 46.167 7.949 ( -7.372 3.524 2.320) 8.494 8.582 ( 6.503 -16.843 -3.087) 18.317 9.287 ( 11.341 -5.767 -19.116) 22.962 11.651 ( -1.501 -1.068 2.312) 2.956 11.964 ( -0.163 -2.003 -5.570) 5.921 12.520 ( 5.502 -3.925 5.255) 8.561 12.566 ( 7.707 -7.844 -1.394) 11.085 13.068 ( -4.823 5.940 1.895) 7.883 13.195 ( 2.023 -0.900 -5.343) 5.784 13.881 ( 0.577 5.418 -0.896) 5.522 14.208 ( -4.717 4.801 0.048) 6.731 ======================= Grid point 687 (334/462) ======================= q-point: (-0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -0.944 4.360 28.511) 28.858 2.901 ( 10.476 1.658 -1.730) 10.747 4.061 ( -17.093 10.733 37.160) 42.287 4.405 ( 9.548 0.245 0.835) 9.588 5.627 ( 3.467 0.805 -12.849) 13.333 5.956 ( -10.864 8.916 -4.991) 14.914 6.463 ( -21.849 17.209 33.596) 43.615 7.835 ( -6.494 0.789 -2.661) 7.062 8.840 ( 6.584 -12.785 -5.904) 15.546 9.353 ( 10.262 -3.866 -18.958) 21.901 11.685 ( -1.030 -2.715 3.839) 4.813 11.950 ( 0.452 -1.000 -4.953) 5.073 12.631 ( 4.873 -1.253 0.826) 5.099 12.754 ( 3.919 -6.115 2.723) 7.757 12.939 ( -4.930 5.414 1.868) 7.557 13.187 ( 2.034 -0.366 -6.700) 7.012 13.820 ( 1.686 4.249 -0.682) 4.621 14.077 ( -5.815 4.383 -0.354) 7.290 ======================= Grid point 688 (335/462) ======================= q-point: (-0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.688 0.759 28.922) 28.940 2.987 ( 9.442 1.608 -2.030) 9.790 4.045 ( -14.050 3.194 39.819) 42.346 4.555 ( 15.224 1.460 2.415) 15.483 5.563 ( -0.492 0.204 -8.338) 8.355 5.664 ( -13.085 5.295 -7.657) 16.059 6.240 ( -20.378 10.414 33.415) 40.500 7.729 ( -2.630 0.311 -9.089) 9.467 9.003 ( 5.907 -6.494 -7.572) 11.593 9.377 ( 7.529 -2.087 -17.125) 18.823 11.746 ( -0.441 -2.942 4.295) 5.225 11.932 ( 0.395 -0.078 -4.119) 4.139 12.699 ( 2.842 -0.779 1.412) 3.267 12.780 ( -6.374 2.979 3.960) 8.074 12.906 ( 3.081 -1.309 0.159) 3.351 13.163 ( 1.913 0.018 -7.648) 7.883 13.801 ( 2.673 1.984 0.145) 3.332 13.951 ( -6.091 2.600 -0.236) 6.627 ======================= Grid point 690 (336/462) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -6.125 0.000 10.960) 12.556 3.131 ( 3.148 -0.000 -8.366) 8.939 4.267 ( -15.520 0.000 11.313) 19.206 4.699 ( -15.332 0.000 10.633) 18.658 5.045 ( -0.556 0.000 10.577) 10.592 5.619 ( 7.189 -0.000 -15.876) 17.428 6.671 ( 8.444 -0.000 39.629) 40.518 7.597 ( 8.180 -0.000 -13.463) 15.753 9.060 ( 2.642 -0.000 -6.092) 6.640 9.248 ( 3.632 -0.000 -15.021) 15.454 11.830 ( -0.216 0.000 2.500) 2.510 11.863 ( -0.265 0.000 -2.542) 2.556 12.532 ( -8.909 0.000 7.329) 11.536 12.901 ( 1.958 -0.000 0.104) 1.961 12.959 ( -0.289 0.000 1.393) 1.423 13.065 ( 3.284 -0.000 -7.573) 8.254 13.736 ( -4.894 0.000 0.514) 4.921 13.949 ( 4.576 -0.000 2.506) 5.217 ======================= Grid point 691 (337/462) ======================= q-point: ( 0.15 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -4.899 1.652 6.270) 8.126 3.088 ( 1.600 -1.971 -16.436) 16.630 4.131 ( -16.920 -7.280 0.846) 18.439 4.672 ( -8.075 5.075 27.324) 28.940 5.155 ( 1.397 -8.605 1.132) 8.791 5.623 ( 1.081 -5.265 -5.279) 7.534 7.075 ( 10.795 -2.731 31.773) 33.668 7.618 ( 7.105 -1.036 -9.989) 12.302 9.005 ( 1.729 5.526 -5.939) 8.295 9.181 ( 4.253 0.617 -16.246) 16.805 11.816 ( 0.078 3.244 1.332) 3.508 11.842 ( 0.254 1.158 -0.829) 1.447 12.493 ( -8.151 -1.795 6.077) 10.324 12.881 ( -3.076 0.134 -3.842) 4.924 12.965 ( -0.435 0.434 2.519) 2.592 13.093 ( 6.795 -0.863 -3.962) 7.913 13.700 ( -4.650 -2.550 1.052) 5.407 14.039 ( 5.093 -1.475 3.102) 6.143 ======================= Grid point 692 (338/462) ======================= q-point: ( 0.23 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -1.708 3.901 1.363) 4.471 3.018 ( 1.529 -4.821 -19.956) 20.587 4.096 ( -10.508 -9.057 1.758) 13.984 4.721 ( -7.408 3.203 30.592) 31.639 5.309 ( 7.973 -11.810 -14.915) 20.628 5.736 ( -4.308 -12.139 8.605) 15.490 7.394 ( 4.632 -0.082 22.688) 23.156 7.666 ( 3.015 -3.762 -0.905) 4.906 8.874 ( 0.781 9.603 -5.656) 11.172 9.115 ( 6.892 0.662 -19.245) 20.453 11.774 ( 0.349 3.007 -0.568) 3.080 11.833 ( 2.170 3.437 3.029) 5.069 12.437 ( -8.213 0.356 2.400) 8.564 12.789 ( -3.971 1.179 -6.917) 8.062 12.970 ( -1.291 0.462 4.170) 4.389 13.178 ( 7.029 -1.636 -2.064) 7.507 13.715 ( -3.868 -5.656 2.078) 7.160 14.151 ( 4.891 -2.304 3.435) 6.406 ======================= Grid point 693 (339/462) ======================= q-point: ( 0.31 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 3.418 3.832 -0.257) 5.141 3.002 ( 3.097 -7.912 -17.743) 19.672 4.093 ( -5.735 -1.690 1.279) 6.114 4.831 ( -7.679 -2.809 27.800) 28.978 5.462 ( 11.952 -11.754 -23.189) 28.614 5.954 ( -6.700 -16.054 15.453) 23.268 7.471 ( -4.404 4.744 12.673) 14.230 7.816 ( -0.613 -9.874 9.843) 13.955 8.687 ( -0.392 12.349 -4.797) 13.254 9.066 ( 9.547 0.808 -20.869) 22.963 11.746 ( 1.347 1.581 -0.902) 2.264 11.835 ( 3.498 5.925 5.178) 8.612 12.323 ( -7.493 2.064 -0.675) 7.801 12.648 ( -3.562 4.569 -9.277) 10.937 12.987 ( -2.059 -1.434 4.946) 5.546 13.271 ( 6.328 -1.427 -1.484) 6.655 13.786 ( -2.861 -7.704 2.983) 8.743 14.261 ( 3.829 -2.322 3.357) 5.597 ======================= Grid point 694 (340/462) ======================= q-point: ( 0.38 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 7.822 2.941 1.819) 8.553 3.060 ( 4.839 -9.800 -15.234) 18.749 3.999 ( -4.832 7.120 1.272) 8.698 4.988 ( -7.033 -7.715 21.327) 23.745 5.585 ( 11.146 -7.023 -21.192) 24.953 6.203 ( -6.805 -15.621 14.775) 22.553 7.409 ( -7.741 3.399 11.203) 14.035 8.025 ( -3.142 -14.953 7.045) 16.825 8.460 ( -2.822 14.350 -1.384) 14.690 9.025 ( 9.215 2.835 -17.783) 20.228 11.745 ( 1.007 -0.034 -2.482) 2.679 11.824 ( 4.356 7.484 6.731) 10.968 12.221 ( -3.616 1.003 -2.187) 4.343 12.454 ( -2.856 7.436 -9.899) 12.706 13.025 ( -2.138 -2.873 4.077) 5.427 13.345 ( 5.331 -0.224 -1.323) 5.497 13.885 ( -2.222 -7.437 3.139) 8.373 14.350 ( 2.226 -1.891 3.000) 4.187 ======================= Grid point 695 (341/462) ======================= q-point: ( 0.46 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 10.151 3.251 2.147) 10.873 3.161 ( 4.847 -8.021 -11.221) 14.620 3.816 ( -5.580 10.083 1.953) 11.688 5.159 ( -4.939 -9.630 13.710) 17.467 5.602 ( 5.077 3.428 -11.252) 12.812 6.404 ( -7.405 -13.091 10.242) 18.197 7.390 ( -4.368 -3.110 7.519) 9.235 8.174 ( 4.152 8.610 -16.179) 18.792 8.287 ( -11.655 -11.725 20.292) 26.174 8.948 ( 4.789 7.430 -9.488) 12.968 11.717 ( -0.250 0.388 -3.728) 3.756 11.870 ( 7.008 2.788 6.371) 9.873 12.133 ( -3.038 3.909 -8.217) 9.593 12.292 ( 1.731 4.678 -3.878) 6.318 13.067 ( -1.828 -3.223 2.668) 4.566 13.384 ( 3.907 1.551 -1.374) 4.423 13.971 ( -1.867 -5.415 2.776) 6.365 14.408 ( 0.546 -1.167 2.441) 2.760 ======================= Grid point 696 (342/462) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 11.045 3.463 -1.134) 11.631 3.157 ( -1.345 8.091 -2.323) 8.525 3.704 ( -1.569 -2.344 1.063) 3.014 5.310 ( -1.131 -6.378 4.490) 7.882 5.461 ( -4.234 11.387 3.552) 12.658 6.521 ( -8.636 -10.712 3.630) 14.230 7.504 ( 1.445 -10.546 2.174) 10.864 7.911 ( -3.686 17.374 1.040) 17.791 8.528 ( -0.579 -17.282 1.148) 17.330 8.801 ( -2.975 10.604 1.998) 11.193 11.709 ( 1.608 -2.652 -5.151) 6.013 11.945 ( -4.377 4.367 -9.474) 11.313 11.994 ( 8.819 0.361 5.401) 10.348 12.291 ( 5.479 1.740 -0.597) 5.780 13.105 ( -1.218 -3.031 1.176) 3.472 13.377 ( 2.031 3.271 -1.442) 4.112 14.023 ( -1.539 -2.561 2.278) 3.757 14.428 ( -0.930 0.066 1.617) 1.867 ======================= Grid point 697 (343/462) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 7.349 4.032 -10.569) 13.490 2.929 ( -3.471 18.555 13.016) 22.929 3.834 ( 3.458 -10.740 1.113) 11.338 5.153 ( -8.825 19.714 10.571) 24.047 5.474 ( 0.167 -7.032 1.324) 7.158 6.533 ( -9.635 -7.192 -4.289) 12.765 7.605 ( -9.736 14.577 13.742) 22.274 7.762 ( 8.125 -10.828 -3.997) 14.115 8.532 ( -3.532 16.336 5.435) 17.575 8.825 ( -0.150 -17.020 -2.485) 17.201 11.721 ( 1.194 2.245 -4.408) 5.089 11.811 ( -2.579 -5.145 -10.322) 11.818 12.165 ( 8.974 -2.349 7.008) 11.625 12.351 ( 7.122 0.452 -0.071) 7.137 13.136 ( -0.412 -2.545 -0.444) 2.616 13.324 ( -0.026 4.608 -1.351) 4.802 14.036 ( -1.108 0.469 1.754) 2.127 14.404 ( -2.184 1.813 0.584) 2.898 ======================= Grid point 698 (344/462) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -5.227 15.403 4.394) 16.849 2.899 ( 8.593 6.258 4.542) 11.560 4.056 ( 6.701 -9.407 3.371) 12.032 4.831 ( -13.630 21.336 20.023) 32.279 5.566 ( 3.607 -4.890 -6.225) 8.699 6.418 ( -9.749 -1.790 -12.430) 15.898 7.340 ( -14.244 20.318 25.982) 35.927 8.034 ( 11.897 -12.814 -11.919) 21.162 8.291 ( -11.243 12.201 16.434) 23.353 9.032 ( 6.539 -13.471 -11.952) 19.159 11.644 ( -2.128 1.483 -2.661) 3.716 11.838 ( 0.293 -7.139 -9.063) 11.540 12.368 ( 8.214 -4.545 6.901) 11.651 12.453 ( 7.827 -1.348 0.986) 8.003 13.158 ( 0.393 -1.902 -2.281) 2.996 13.232 ( -1.899 5.618 -1.105) 6.033 14.010 ( -0.506 3.161 1.190) 3.415 14.332 ( -3.330 3.688 -0.413) 4.986 ======================= Grid point 699 (345/462) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -2.551 11.334 17.341) 20.872 2.957 ( 8.980 2.974 -0.588) 9.478 4.289 ( 8.937 -3.423 7.542) 12.185 4.539 ( -13.989 17.436 25.777) 34.120 5.603 ( 4.466 -2.210 -11.763) 12.775 6.178 ( -9.714 3.730 -17.398) 20.272 7.058 ( -17.899 22.648 34.022) 44.619 7.979 ( -4.365 11.086 0.142) 11.915 8.411 ( 3.393 -16.578 2.564) 17.115 9.183 ( 9.456 -9.032 -17.483) 21.833 11.610 ( -2.712 -1.949 0.333) 3.356 11.867 ( 0.373 -5.228 -8.092) 9.641 12.572 ( 7.197 -4.480 2.361) 8.800 12.584 ( 6.008 -3.115 5.957) 9.015 13.110 ( -3.448 6.236 -0.773) 7.167 13.166 ( 1.178 -1.159 -4.385) 4.686 13.958 ( 0.374 4.885 0.741) 4.955 14.217 ( -4.424 5.171 -1.069) 6.889 ======================= Grid point 700 (346/462) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -0.501 4.475 23.947) 24.367 3.028 ( 9.652 1.073 -3.674) 10.383 4.279 ( -15.254 13.682 34.287) 39.943 4.582 ( 14.521 -0.312 7.704) 16.441 5.561 ( -1.080 -0.322 -12.995) 13.044 5.862 ( -6.528 6.647 -20.613) 22.620 6.755 ( -19.254 23.903 37.895) 48.766 7.796 ( -4.849 6.313 -0.710) 7.992 8.688 ( 4.867 -15.143 -2.392) 16.085 9.271 ( 9.520 -5.728 -19.568) 22.503 11.633 ( -2.671 -4.420 2.755) 5.854 11.884 ( 0.551 -3.786 -6.655) 7.676 12.683 ( 4.284 -0.668 2.695) 5.105 12.756 ( 3.308 -4.551 6.124) 8.316 12.972 ( -3.417 5.909 -1.255) 6.940 13.157 ( 1.469 -0.530 -6.239) 6.431 13.905 ( 1.579 4.974 0.749) 5.273 14.073 ( -5.257 5.674 -1.131) 7.817 ======================= Grid point 701 (347/462) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -2.920 0.776 21.969) 22.175 3.102 ( 9.383 1.391 -5.134) 10.786 4.210 ( -14.046 6.392 38.509) 41.486 4.819 ( 15.731 2.847 8.599) 18.153 5.343 ( -19.066 1.761 -11.659) 22.417 5.646 ( 9.936 4.132 -22.264) 24.728 6.490 ( -16.995 20.350 40.880) 48.725 7.676 ( -0.405 2.930 -6.445) 7.092 8.901 ( 4.210 -10.924 -4.700) 12.615 9.305 ( 7.571 -3.450 -18.579) 20.357 11.699 ( -1.864 -5.530 4.012) 7.082 11.891 ( 0.355 -2.234 -5.036) 5.520 12.712 ( -4.308 2.464 5.766) 7.607 12.833 ( 1.929 2.735 2.794) 4.360 12.908 ( 1.559 -1.876 -1.065) 2.661 13.131 ( 1.498 -0.020 -7.501) 7.649 13.878 ( 2.823 3.553 1.262) 4.710 13.928 ( -5.450 4.636 -0.609) 7.180 ======================= Grid point 704 (348/462) ======================= q-point: ( 0.15 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -1.429 0.000 3.059) 3.376 2.951 ( 1.466 -0.000 -22.698) 22.746 3.916 ( -13.750 0.000 7.989) 15.903 4.832 ( -4.131 0.000 26.299) 26.622 5.099 ( 0.588 -0.000 -1.532) 1.641 5.542 ( -3.971 0.000 0.923) 4.077 7.390 ( 8.792 -0.000 25.348) 26.830 7.630 ( 6.905 -0.000 -9.767) 11.961 9.022 ( 2.269 -0.000 -7.787) 8.111 9.116 ( 2.798 -0.000 -14.945) 15.204 11.815 ( -0.643 0.000 -3.374) 3.435 11.881 ( 2.182 -0.000 2.584) 3.382 12.442 ( -6.565 0.000 7.349) 9.855 12.798 ( -5.024 0.000 -5.243) 7.261 12.980 ( -0.571 0.000 2.713) 2.772 13.156 ( 7.784 -0.000 -2.577) 8.199 13.634 ( -4.684 0.000 1.818) 5.025 14.117 ( 5.751 -0.000 3.005) 6.489 ======================= Grid point 705 (349/462) ======================= q-point: ( 0.23 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 3.113 2.935 -1.022) 4.399 2.845 ( 4.081 -3.295 -21.229) 21.868 3.901 ( -9.675 -7.192 11.711) 16.807 4.916 ( -4.319 5.756 25.659) 26.649 5.154 ( 5.191 -8.307 -11.451) 15.069 5.569 ( -7.362 -9.055 9.539) 15.073 7.585 ( 1.725 2.958 10.873) 11.399 7.663 ( 2.211 -2.679 3.550) 4.967 8.946 ( 1.556 5.946 -8.388) 10.398 9.059 ( 5.190 -1.061 -16.898) 17.709 11.773 ( -1.014 0.497 -3.918) 4.078 11.933 ( 4.466 1.244 3.280) 5.679 12.404 ( -5.775 2.547 6.036) 8.733 12.699 ( -4.412 -0.093 -5.875) 7.348 12.985 ( -1.565 0.440 3.108) 3.507 13.238 ( 7.560 -0.509 -2.169) 7.882 13.620 ( -4.084 -3.504 3.036) 6.179 14.214 ( 5.632 -0.925 2.537) 6.246 ======================= Grid point 706 (350/462) ======================= q-point: ( 0.31 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 8.814 3.138 -2.403) 9.660 2.848 ( 6.534 -5.525 -15.503) 17.708 3.987 ( -6.624 -6.889 9.507) 13.480 4.957 ( -5.708 4.391 25.068) 26.082 5.273 ( 9.253 -11.774 -19.396) 24.504 5.733 ( -8.802 -15.680 14.948) 23.384 7.550 ( -4.038 5.038 4.672) 7.970 7.761 ( -5.684 -4.902 11.732) 13.927 8.793 ( -0.070 9.413 -7.001) 11.731 9.036 ( 9.609 -1.156 -20.406) 22.585 11.732 ( -1.213 -0.690 -4.045) 4.278 11.993 ( 5.655 3.326 4.034) 7.701 12.311 ( -4.736 5.471 3.975) 8.256 12.605 ( -1.963 2.326 -7.124) 7.747 12.978 ( -2.955 -0.234 4.041) 5.011 13.321 ( 6.793 -0.936 -2.250) 7.217 13.675 ( -2.973 -6.748 4.181) 8.477 14.307 ( 4.465 -1.094 1.762) 4.923 ======================= Grid point 707 (351/462) ======================= q-point: ( 0.38 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 12.414 2.719 -0.818) 12.735 2.933 ( 8.703 -6.912 -11.048) 15.670 4.014 ( -5.647 0.945 5.672) 8.059 5.013 ( -6.790 0.468 23.116) 24.097 5.429 ( 10.616 -13.053 -21.237) 27.094 5.967 ( -8.984 -17.460 14.870) 24.631 7.443 ( -8.246 5.188 8.580) 12.982 7.836 ( -9.579 -9.992 8.993) 16.507 8.593 ( -2.011 11.943 -3.857) 12.711 9.035 ( 11.725 -0.249 -20.916) 23.980 11.701 ( -2.294 -1.584 -4.162) 5.010 12.017 ( 4.078 6.276 5.285) 9.162 12.232 ( 0.179 4.224 1.088) 4.366 12.478 ( 0.628 6.643 -7.566) 10.088 12.985 ( -3.436 -2.249 4.486) 6.082 13.394 ( 5.932 -0.632 -2.649) 6.527 13.777 ( -2.305 -7.810 4.519) 9.313 14.374 ( 2.521 -0.956 1.011) 2.879 ======================= Grid point 708 (352/462) ======================= q-point: ( 0.46 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 12.469 3.097 -4.922) 13.758 3.106 ( 11.277 -6.719 -1.878) 13.261 3.895 ( -6.818 9.336 3.570) 12.099 5.105 ( -6.399 -4.490 18.445) 20.033 5.567 ( 9.048 -7.726 -17.716) 21.341 6.161 ( -11.227 -13.825 11.646) 21.279 7.364 ( -7.369 0.335 9.942) 12.380 7.953 ( -7.050 -16.536 1.872) 18.073 8.369 ( -5.827 12.949 3.912) 14.729 9.021 ( 10.048 3.110 -16.716) 19.750 11.654 ( -3.327 -1.230 -4.192) 5.491 12.032 ( 4.290 3.784 5.317) 7.810 12.155 ( 1.210 7.506 -5.309) 9.273 12.389 ( 5.884 5.316 -2.562) 8.333 13.014 ( -3.192 -3.325 3.942) 6.065 13.438 ( 4.679 0.935 -3.342) 5.825 13.886 ( -2.002 -6.933 4.287) 8.394 14.409 ( 0.455 -0.895 0.491) 1.117 ======================= Grid point 709 (353/462) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 10.938 3.341 -9.396) 14.802 3.328 ( 11.979 2.512 8.668) 14.998 3.687 ( -7.241 6.477 1.852) 9.890 5.232 ( -3.625 -7.388 11.067) 13.792 5.579 ( 2.868 4.980 -6.801) 8.904 6.230 ( -14.871 -11.575 5.023) 19.503 7.412 ( -2.338 -7.186 7.094) 10.365 8.053 ( 4.696 4.262 -15.465) 16.715 8.255 ( -14.742 -12.500 21.972) 29.263 8.945 ( 5.303 9.094 -8.839) 13.746 11.617 ( -1.703 -3.287 -5.372) 6.524 11.952 ( -0.984 8.596 -7.736) 11.606 12.149 ( 7.938 1.388 5.716) 9.880 12.411 ( 7.973 3.514 -0.387) 8.722 13.051 ( -2.559 -3.532 2.900) 5.237 13.432 ( 2.783 2.921 -3.975) 5.664 13.974 ( -1.659 -4.798 3.873) 6.385 14.417 ( -1.194 -0.535 0.024) 1.309 ======================= Grid point 710 (354/462) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 7.838 5.886 -9.889) 13.923 3.270 ( -1.883 19.258 12.249) 22.901 3.776 ( 9.113 -10.092 4.763) 14.408 5.333 ( 0.147 2.685 0.187) 2.696 5.442 ( -5.191 6.116 9.499) 12.433 6.204 ( -16.117 -11.429 -3.738) 20.109 7.582 ( 1.265 -11.045 3.689) 11.714 7.864 ( -1.708 12.655 1.425) 12.849 8.518 ( -3.280 -22.274 4.572) 22.974 8.771 ( -0.788 15.545 0.175) 15.566 11.630 ( 0.162 -6.243 -7.865) 10.043 11.773 ( -0.567 7.654 -6.890) 10.313 12.294 ( 8.094 -1.200 6.785) 10.630 12.469 ( 8.231 2.306 0.445) 8.560 13.087 ( -1.712 -3.211 1.390) 3.895 13.372 ( 0.563 4.393 -4.123) 6.050 14.029 ( -1.178 -1.965 3.411) 4.109 14.393 ( -2.330 0.664 -0.596) 2.495 ======================= Grid point 711 (355/462) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 1.654 11.968 0.769) 12.106 3.112 ( 0.500 9.457 4.630) 10.542 4.106 ( 15.047 -7.814 9.290) 19.333 5.101 ( -9.236 20.536 13.836) 26.428 5.501 ( 1.263 -5.207 -1.532) 5.573 6.097 ( -15.268 -8.632 -11.778) 21.127 7.583 ( -8.742 13.900 15.212) 22.384 7.904 ( 7.209 -13.992 -3.476) 16.119 8.506 ( -5.684 19.862 7.295) 21.910 8.805 ( 2.599 -18.893 -4.768) 19.658 11.622 ( -1.384 2.194 -5.980) 6.519 11.690 ( 1.065 -5.209 -7.622) 9.293 12.463 ( 7.201 -2.615 6.806) 10.247 12.556 ( 7.837 0.480 1.735) 8.041 13.114 ( -0.876 -2.522 -0.584) 2.733 13.272 ( -1.481 5.246 -3.742) 6.611 14.047 ( -0.561 1.002 2.924) 3.142 14.331 ( -3.141 2.622 -1.246) 4.277 ======================= Grid point 712 (356/462) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -2.224 10.334 13.479) 17.130 3.072 ( 5.186 2.654 -3.327) 6.708 4.470 ( 18.048 -3.976 12.124) 22.103 4.805 ( -12.686 19.819 22.499) 32.557 5.529 ( -1.260 -2.410 -8.258) 8.695 5.917 ( -8.753 -3.655 -19.902) 22.047 7.365 ( -12.579 18.108 24.624) 33.052 8.128 ( 8.961 5.567 -12.536) 16.384 8.265 ( -9.529 -2.988 17.468) 20.121 9.025 ( 7.091 -13.102 -12.990) 19.765 11.553 ( -2.759 -0.333 -1.376) 3.101 11.734 ( 1.296 -6.408 -8.473) 10.702 12.629 ( 5.505 -3.501 6.092) 8.926 12.664 ( 6.221 -0.865 2.947) 6.938 13.119 ( -1.611 0.171 -2.454) 2.941 13.149 ( -1.549 3.960 -3.487) 5.499 14.032 ( 0.276 3.441 2.528) 4.278 14.227 ( -3.794 4.754 -1.598) 6.289 ======================= Grid point 713 (357/462) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -5.238 4.201 17.679) 18.911 3.110 ( 9.208 -0.061 -6.527) 11.286 4.540 ( -13.974 16.561 30.856) 37.704 4.849 ( 17.829 -1.020 12.519) 21.809 5.378 ( -14.010 0.303 -12.082) 18.503 5.757 ( 7.719 1.926 -25.997) 27.187 7.122 ( -14.236 21.512 31.818) 40.961 7.895 ( -3.567 14.821 2.197) 15.401 8.507 ( 2.635 -16.678 0.259) 16.887 9.158 ( 9.003 -7.856 -18.293) 21.849 11.550 ( -3.352 -4.219 2.300) 5.859 11.778 ( 1.250 -5.489 -7.110) 9.069 12.754 ( 3.135 0.114 3.770) 4.904 12.774 ( 2.695 -4.083 4.998) 6.994 12.996 ( -3.402 5.478 -2.334) 6.857 13.123 ( 0.973 -0.540 -5.263) 5.379 14.001 ( 1.335 4.614 2.416) 5.377 14.090 ( -4.192 6.284 -1.377) 7.678 ======================= Grid point 714 (358/462) ======================= q-point: (-0.08 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -7.524 -0.027 14.598) 16.423 3.179 ( 9.464 0.507 -8.501) 12.732 4.418 ( -13.450 9.850 36.145) 39.805 4.950 ( -17.439 2.462 -5.953) 18.591 5.216 ( 11.825 5.002 2.819) 13.145 5.681 ( 15.031 3.102 -24.937) 29.281 6.895 ( -11.169 21.433 36.661) 43.910 7.716 ( -1.018 7.807 -0.662) 7.901 8.743 ( 2.576 -13.917 -2.775) 14.423 9.214 ( 8.525 -4.352 -19.895) 22.078 11.617 ( -2.479 -6.640 4.783) 8.551 11.814 ( 0.786 -4.114 -5.336) 6.783 12.740 ( -5.926 4.037 3.565) 8.008 12.877 ( 0.884 -3.256 3.650) 4.971 12.915 ( 1.929 2.156 -1.187) 3.128 13.099 ( 1.865 0.318 -6.626) 6.890 13.936 ( -4.519 6.089 -0.422) 7.594 13.984 ( 2.783 4.562 2.440) 5.874 ======================= Grid point 718 (359/462) ======================= q-point: ( 0.23 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 7.338 -0.000 -2.422) 7.727 2.757 ( 8.469 -0.000 -17.662) 19.588 3.841 ( -8.713 0.000 17.658) 19.691 5.050 ( 2.857 -0.000 -11.284) 11.640 5.108 ( -2.141 0.000 22.557) 22.659 5.477 ( -6.917 0.000 9.611) 11.841 7.630 ( 0.534 -0.000 -3.761) 3.799 7.697 ( -7.054 0.000 15.113) 16.678 8.964 ( 4.893 -0.000 -12.669) 13.581 8.981 ( 3.089 -0.000 -14.058) 14.394 11.720 ( -2.338 0.000 -5.191) 5.693 12.029 ( 6.491 -0.000 2.822) 7.077 12.422 ( -3.271 0.000 7.149) 7.862 12.608 ( -3.384 0.000 -4.838) 5.904 12.984 ( -2.385 0.000 2.407) 3.389 13.312 ( 7.378 -0.000 -2.394) 7.757 13.568 ( -3.984 0.000 4.283) 5.850 14.292 ( 5.663 -0.000 1.129) 5.774 ======================= Grid point 719 (360/462) ======================= q-point: ( 0.31 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 12.557 1.282 -4.082) 13.266 2.804 ( 10.029 -2.409 -9.893) 14.292 3.911 ( -7.143 -4.649 18.081) 19.989 5.034 ( 0.652 -4.424 -6.648) 8.012 5.196 ( -0.893 2.123 12.593) 12.802 5.551 ( -5.544 -10.256 11.203) 16.169 7.578 ( -3.875 3.197 1.057) 5.133 7.675 ( -13.747 -2.529 11.647) 18.195 8.854 ( 2.031 6.806 -10.297) 12.509 8.984 ( 8.609 -3.046 -18.321) 20.471 11.658 ( -2.781 -1.030 -5.049) 5.855 12.120 ( 6.463 1.364 2.065) 6.921 12.394 ( -1.514 5.939 6.027) 8.596 12.564 ( -0.218 -0.662 -4.022) 4.082 12.961 ( -3.711 0.199 2.636) 4.556 13.379 ( 6.385 0.005 -2.705) 6.934 13.591 ( -3.031 -4.553 5.354) 7.654 14.360 ( 4.569 -0.163 -0.476) 4.596 ======================= Grid point 720 (361/462) ======================= q-point: ( 0.38 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 12.067 1.431 -6.654) 13.854 2.949 ( 14.179 -3.832 -1.293) 14.745 3.997 ( -6.143 -1.493 14.279) 15.616 5.080 ( -2.632 -3.843 4.068) 6.184 5.243 ( 0.014 -5.305 -0.655) 5.346 5.749 ( -3.566 -14.680 10.107) 18.176 7.469 ( -7.697 5.281 5.995) 11.094 7.625 ( -16.685 -7.200 10.336) 20.906 8.691 ( 0.027 9.711 -6.976) 11.957 9.012 ( 12.028 -2.697 -21.470) 24.757 11.613 ( -2.749 -1.639 -3.880) 5.029 12.158 ( 3.338 3.836 1.932) 5.440 12.340 ( 1.843 6.612 2.852) 7.433 12.538 ( 3.657 3.519 -3.645) 6.249 12.940 ( -4.507 -1.561 4.005) 6.229 13.434 ( 5.324 -0.624 -3.234) 6.260 13.681 ( -2.237 -6.979 5.584) 9.214 14.397 ( 2.510 -0.014 -1.708) 3.036 ======================= Grid point 721 (362/462) ======================= q-point: ( 0.46 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 11.715 2.636 -7.750) 14.291 3.209 ( 15.360 -5.634 4.058) 16.856 3.971 ( -5.692 7.280 9.434) 13.206 5.111 ( -6.794 -1.091 13.462) 15.118 5.354 ( 0.725 -15.041 -11.277) 18.813 5.965 ( -3.117 -11.252 7.283) 13.761 7.357 ( -8.841 3.012 10.047) 13.718 7.642 ( -14.660 -14.410 8.654) 22.304 8.494 ( -2.362 11.738 -2.466) 12.224 9.043 ( 12.574 -0.947 -20.977) 24.475 11.575 ( -2.449 -0.711 -2.527) 3.590 12.137 ( 0.908 4.606 -0.319) 4.706 12.280 ( 3.805 7.283 0.543) 8.235 12.531 ( 7.654 4.693 -1.450) 9.095 12.952 ( -4.359 -3.355 4.671) 7.217 13.472 ( 4.197 0.015 -4.584) 6.215 13.795 ( -1.970 -7.373 5.592) 9.461 14.401 ( 0.242 -0.265 -2.149) 2.179 ======================= Grid point 722 (363/462) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 11.081 4.349 -7.759) 14.209 3.520 ( 12.391 -8.201 5.578) 15.871 3.797 ( -3.558 16.612 8.786) 19.126 5.165 ( -5.924 -5.843 11.615) 14.288 5.478 ( -0.966 -13.239 -11.203) 17.370 6.025 ( -8.532 -0.675 5.252) 10.041 7.342 ( -5.884 -4.210 10.085) 12.412 7.803 ( -6.640 -21.530 2.920) 22.719 8.285 ( -6.570 11.670 5.876) 14.625 9.038 ( 10.089 3.385 -16.585) 19.706 11.542 ( -1.017 -0.412 -2.451) 2.685 12.014 ( -0.919 8.430 -6.459) 10.659 12.303 ( 6.842 2.309 5.128) 8.857 12.563 ( 8.311 4.127 -0.609) 9.299 12.985 ( -3.678 -3.968 4.222) 6.862 13.463 ( 2.323 1.883 -6.007) 6.710 13.908 ( -1.564 -6.323 5.433) 8.483 14.385 ( -1.463 -0.748 -2.018) 2.602 ======================= Grid point 723 (364/462) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 9.919 6.546 -6.147) 13.379 3.467 ( -11.602 12.334 2.826) 17.167 3.927 ( 19.672 -2.902 13.709) 24.153 5.280 ( -1.044 -7.895 4.256) 9.029 5.514 ( -3.002 -2.454 -4.180) 5.701 5.878 ( -16.681 1.514 2.992) 17.015 7.464 ( -1.422 -10.847 6.461) 12.705 7.983 ( 6.208 2.254 -13.978) 15.460 8.204 ( -14.906 -15.490 23.516) 31.861 8.951 ( 5.590 10.110 -9.569) 15.000 11.536 ( 1.134 -1.971 -4.096) 4.685 11.830 ( -1.055 8.756 -7.257) 11.421 12.420 ( 6.988 -0.496 6.120) 9.303 12.608 ( 7.666 3.070 0.154) 8.259 13.026 ( -2.764 -3.793 2.970) 5.554 13.395 ( 0.065 3.498 -6.529) 7.407 14.002 ( -0.990 -4.099 5.077) 6.600 14.357 ( -2.402 -0.480 -1.896) 3.098 ======================= Grid point 724 (365/462) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 3.312 10.841 1.432) 11.426 3.207 ( -5.808 7.810 -0.318) 9.738 4.331 ( 20.562 -5.092 14.517) 25.680 5.337 ( -0.077 9.402 0.035) 9.402 5.431 ( -6.320 0.795 5.400) 8.351 5.698 ( -16.154 -9.145 -6.242) 19.585 7.661 ( 0.021 -8.591 5.046) 9.963 7.848 ( -1.006 5.693 0.497) 5.803 8.509 ( -3.647 -22.867 6.465) 24.041 8.761 ( 1.211 16.727 -2.377) 16.939 11.563 ( 2.722 -3.144 -5.845) 7.174 11.660 ( -1.851 6.000 -6.107) 8.759 12.557 ( 5.696 -1.749 5.768) 8.292 12.669 ( 6.487 1.331 1.037) 6.703 13.061 ( -1.769 -3.021 1.284) 3.729 13.284 ( -1.891 4.348 -5.907) 7.575 14.065 ( -0.357 -1.251 4.632) 4.811 14.309 ( -2.835 1.005 -1.943) 3.581 ======================= Grid point 725 (366/462) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -9.132 9.708 10.534) 16.988 3.139 ( 7.649 2.560 -5.702) 9.877 4.757 ( 20.597 -4.511 15.114) 25.942 5.076 ( -12.030 20.248 16.741) 28.896 5.335 ( -11.890 -3.836 -11.934) 17.277 5.684 ( 2.837 -6.901 -11.115) 13.387 7.587 ( -7.785 13.007 13.699) 20.431 8.006 ( 4.487 -17.118 -2.489) 17.871 8.469 ( -4.839 20.970 6.154) 22.384 8.814 ( 3.819 -17.306 -5.290) 18.495 11.524 ( -2.305 2.840 -2.989) 4.723 11.624 ( 2.594 -4.799 -6.509) 8.492 12.679 ( 3.332 -2.617 4.205) 5.970 12.739 ( 4.343 -0.484 1.186) 4.528 13.080 ( -1.071 -1.268 -0.340) 1.695 13.156 ( -2.545 4.355 -4.269) 6.609 14.094 ( 0.351 1.522 4.246) 4.524 14.230 ( -3.015 3.296 -1.867) 4.842 ======================= Grid point 726 (367/462) ======================= q-point: (-0.15 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -11.465 3.440 10.743) 16.083 3.195 ( 11.256 1.500 -6.003) 12.844 4.775 ( -18.272 13.702 19.505) 30.035 5.024 ( -6.790 3.533 0.458) 7.668 5.242 ( 14.245 -2.821 2.832) 14.796 5.732 ( 11.910 -0.954 -18.224) 21.791 7.404 ( -10.673 14.201 21.299) 27.735 8.139 ( 0.969 20.556 -1.371) 20.624 8.299 ( -2.313 -16.403 6.551) 17.814 9.015 ( 7.225 -11.222 -13.507) 18.989 11.478 ( -2.947 -2.183 1.336) 3.903 11.682 ( 2.641 -4.830 -5.699) 7.924 12.748 ( -1.523 -2.190 0.038) 2.668 12.802 ( 1.806 -2.434 0.946) 3.176 13.015 ( -2.623 4.550 -0.482) 5.274 13.108 ( 1.568 0.167 -1.998) 2.546 14.090 ( -0.294 4.007 3.073) 5.058 14.125 ( -1.570 5.065 -0.388) 5.317 ======================= Grid point 727 (368/462) ======================= q-point: (-0.08 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -9.894 -1.135 7.885) 12.702 3.248 ( 9.014 2.639 -9.300) 13.217 4.546 ( -20.425 1.452 12.837) 24.168 4.773 ( -10.084 12.842 5.299) 17.166 5.495 ( 14.574 3.988 1.109) 15.150 5.766 ( 15.952 2.243 -13.748) 21.178 7.250 ( -9.186 13.736 27.205) 31.830 7.874 ( -1.861 16.330 4.611) 17.070 8.544 ( 1.106 -15.956 -1.322) 16.049 9.115 ( 8.780 -5.791 -18.905) 21.634 11.533 ( -1.806 -6.346 5.202) 8.402 11.737 ( 1.882 -4.095 -4.310) 6.236 12.688 ( -7.440 0.578 -2.861) 7.992 12.855 ( -0.515 -3.962 -2.218) 4.570 12.952 ( -0.658 3.005 3.195) 4.435 13.117 ( 3.875 1.338 -1.851) 4.498 13.977 ( -3.548 6.935 -0.038) 7.790 14.101 ( 2.695 4.202 3.694) 6.210 ======================= Grid point 732 (369/462) ======================= q-point: ( 0.31 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 11.895 -0.000 -3.315) 12.348 2.911 ( 14.458 -0.000 -4.917) 15.271 3.947 ( -5.855 0.000 23.123) 23.852 4.920 ( -0.154 0.000 -12.227) 12.228 5.297 ( -6.149 0.000 16.664) 17.763 5.502 ( -0.323 0.000 7.563) 7.570 7.528 ( -19.531 0.000 11.151) 22.490 7.556 ( -5.310 0.000 2.162) 5.733 8.887 ( 4.118 -0.000 -12.335) 13.004 8.912 ( 8.343 -0.000 -17.939) 19.784 11.586 ( -2.137 0.000 -3.992) 4.528 12.209 ( 4.614 -0.000 0.288) 4.623 12.496 ( 1.282 -0.000 7.498) 7.606 12.531 ( 1.606 -0.000 -3.293) 3.664 12.928 ( -4.200 0.000 1.647) 4.512 13.433 ( 5.603 -0.000 -3.657) 6.691 13.562 ( -2.993 0.000 6.869) 7.492 14.399 ( 3.647 -0.000 -2.866) 4.638 ======================= Grid point 733 (370/462) ======================= q-point: ( 0.38 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 11.563 1.523 -1.951) 11.825 3.087 ( 15.035 -2.868 -1.195) 15.353 4.054 ( -3.989 0.519 22.477) 22.834 4.889 ( -0.655 -8.995 -12.307) 15.258 5.271 ( -10.342 3.720 14.089) 17.869 5.635 ( 3.248 -8.766 5.591) 10.893 7.382 ( -21.489 -4.662 11.831) 24.970 7.478 ( -7.576 3.464 5.467) 9.964 8.770 ( 3.304 8.014 -11.018) 14.019 8.953 ( 10.744 -4.862 -20.312) 23.487 11.555 ( -0.507 -0.600 -1.820) 1.982 12.231 ( 1.495 1.856 -0.834) 2.525 12.476 ( 2.459 6.390 1.587) 7.029 12.601 ( 4.361 -0.991 1.730) 4.795 12.891 ( -4.190 -0.655 2.273) 4.811 13.462 ( 4.108 0.004 -4.095) 5.800 13.615 ( -2.200 -4.629 7.011) 8.685 14.404 ( 1.752 0.271 -4.612) 4.941 ======================= Grid point 734 (371/462) ======================= q-point: ( 0.46 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 11.886 3.564 -2.935) 12.751 3.321 ( 11.393 -5.880 3.039) 13.176 4.117 ( -0.558 6.522 16.555) 17.802 4.968 ( -0.091 -14.143 -12.190) 18.671 5.169 ( -15.275 0.720 14.466) 21.050 5.861 ( 5.172 -10.435 2.070) 11.829 7.322 ( -20.653 -10.755 14.444) 27.401 7.371 ( -8.096 3.282 8.067) 11.891 8.605 ( 1.172 10.424 -7.439) 12.860 9.012 ( 12.871 -3.995 -22.332) 26.084 11.554 ( 0.736 0.498 0.250) 0.923 12.185 ( -0.755 3.864 -2.778) 4.818 12.431 ( 3.548 6.232 2.092) 7.470 12.666 ( 6.340 2.106 0.263) 6.686 12.885 ( -3.983 -2.577 4.022) 6.220 13.476 ( 2.771 -0.445 -5.605) 6.269 13.719 ( -1.772 -6.489 7.070) 9.759 14.374 ( -0.363 0.073 -5.062) 5.076 ======================= Grid point 735 (372/462) ======================= q-point: ( 0.54 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 11.613 5.635 -2.995) 13.251 3.523 ( 1.356 -5.370 3.450) 6.526 4.107 ( 6.591 11.605 11.857) 17.853 5.060 ( -2.681 -9.242 -3.385) 10.201 5.154 ( -12.761 -12.683 7.672) 19.559 5.999 ( 1.901 -1.196 -2.657) 3.479 7.290 ( -10.510 -1.922 12.408) 16.374 7.448 ( -11.145 -19.366 12.387) 25.548 8.413 ( -1.235 11.898 -2.776) 12.280 9.056 ( 12.506 -1.387 -21.233) 24.682 11.554 ( 1.595 2.268 1.145) 3.000 12.060 ( -2.085 6.925 -5.879) 9.320 12.446 ( 5.159 2.614 4.601) 7.391 12.705 ( 6.467 3.190 -0.725) 7.247 12.916 ( -3.381 -3.669 4.795) 6.920 13.453 ( 0.901 0.639 -7.548) 7.628 13.843 ( -1.222 -6.734 7.079) 9.847 14.332 ( -1.847 -0.851 -4.353) 4.804 ======================= Grid point 736 (373/462) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 10.582 7.379 -1.761) 13.020 3.454 ( -11.560 6.802 0.576) 13.425 4.243 ( 14.891 0.241 13.756) 20.274 5.149 ( -1.323 -11.061 -8.186) 13.824 5.253 ( -10.300 -12.920 10.786) 19.732 5.893 ( -3.859 10.588 -2.978) 11.657 7.340 ( -5.952 -8.845 9.560) 14.320 7.747 ( -2.990 -24.686 6.134) 25.611 8.216 ( -5.635 11.249 5.765) 13.840 9.046 ( 9.800 3.613 -16.993) 19.946 11.551 ( 2.639 2.513 0.454) 3.672 11.879 ( -2.330 8.299 -7.192) 11.226 12.531 ( 4.868 -0.114 5.501) 7.346 12.730 ( 5.431 2.635 -1.021) 6.122 12.965 ( -2.230 -3.520 4.578) 6.190 13.376 ( -1.105 2.098 -8.310) 8.642 13.966 ( -0.568 -5.521 6.713) 8.710 14.295 ( -2.461 -1.494 -3.389) 4.446 ======================= Grid point 737 (374/462) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -10.184 12.185 4.060) 16.391 3.256 ( 5.590 5.720 -2.928) 8.517 4.590 ( 15.654 -7.342 14.402) 22.503 5.147 ( -11.109 -9.513 -12.612) 19.313 5.420 ( -0.445 -8.488 9.084) 12.440 5.631 ( -4.434 15.915 1.012) 16.552 7.511 ( -2.132 -14.346 6.082) 15.727 7.949 ( 5.863 6.029 -12.619) 15.165 8.197 ( -12.205 -19.853 23.009) 32.750 8.950 ( 5.942 10.407 -10.599) 15.998 11.561 ( 3.472 1.040 -1.252) 3.834 11.687 ( -2.277 7.779 -6.781) 10.568 12.625 ( 2.516 -1.424 4.342) 5.216 12.752 ( 3.862 1.282 -1.455) 4.322 13.020 ( -0.819 -2.551 4.177) 4.962 13.263 ( -2.331 2.959 -7.251) 8.171 14.070 ( 0.051 -3.241 6.171) 6.970 14.261 ( -2.533 -0.863 -2.717) 3.814 ======================= Grid point 738 (375/462) ======================= q-point: (-0.23 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -15.299 8.839 5.689) 18.563 3.285 ( 11.288 4.990 -1.875) 12.483 4.903 ( -13.037 -2.977 -4.623) 14.150 5.043 ( 7.489 -10.096 4.267) 13.275 5.358 ( -2.523 15.923 8.077) 18.032 5.631 ( 7.769 -4.902 0.183) 9.188 7.712 ( -1.603 -1.774 4.503) 5.098 7.826 ( -0.921 -4.121 -0.048) 4.223 8.515 ( -3.312 -18.916 6.344) 20.224 8.770 ( 2.928 14.179 -3.318) 14.853 11.524 ( -2.461 4.768 -4.541) 7.029 11.594 ( 4.145 -0.368 -2.670) 4.944 12.683 ( -0.648 -2.536 1.102) 2.840 12.760 ( 0.737 -0.007 -2.764) 2.860 13.071 ( 0.454 -0.876 3.699) 3.828 13.151 ( -1.706 3.102 -4.058) 5.385 14.141 ( 0.557 -0.504 5.598) 5.648 14.214 ( -2.329 0.972 -2.103) 3.285 ======================= Grid point 739 (376/462) ======================= q-point: (-0.15 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -13.104 3.806 6.132) 14.960 3.345 ( 11.152 4.605 -2.966) 12.425 4.577 ( -22.863 0.490 -9.908) 24.922 5.171 ( -3.413 14.164 9.301) 17.285 5.419 ( 13.821 -8.045 8.447) 18.086 5.782 ( 12.602 -1.284 -4.015) 13.288 7.573 ( -6.881 11.235 9.762) 16.398 8.056 ( 1.139 -18.597 -0.193) 18.633 8.452 ( -1.883 19.763 3.484) 20.156 8.839 ( 3.670 -13.860 -4.455) 15.014 11.442 ( -1.451 0.479 -0.261) 1.551 11.640 ( 3.665 -2.122 -3.179) 5.295 12.676 ( -4.689 -0.970 -3.430) 5.890 12.738 ( -2.498 -3.401 -4.632) 6.266 13.061 ( -0.378 3.824 1.386) 4.085 13.134 ( 2.228 -0.087 1.993) 2.991 14.133 ( -2.376 3.668 -0.449) 4.393 14.190 ( 1.339 1.654 4.344) 4.837 ======================= Grid point 740 (377/462) ======================= q-point: (-0.08 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -8.652 -0.419 4.790) 9.899 3.351 ( 7.645 6.841 -8.689) 13.444 4.278 ( -18.294 -3.390 -5.736) 19.469 4.996 ( -5.106 15.436 15.213) 22.266 5.635 ( 10.900 -0.956 -10.718) 15.317 5.952 ( 13.425 1.137 5.859) 14.692 7.427 ( -8.918 7.844 15.948) 19.884 8.169 ( 0.293 21.506 3.778) 21.838 8.314 ( -1.308 -17.288 1.831) 17.433 8.999 ( 6.698 -8.655 -13.261) 17.193 11.480 ( 0.321 -4.607 4.507) 6.453 11.693 ( 2.835 -2.732 -2.796) 4.829 12.565 ( -7.909 0.127 -5.304) 9.524 12.723 ( -3.801 -5.365 -7.099) 9.676 13.023 ( -0.196 3.734 3.747) 5.294 13.180 ( 3.730 0.632 1.329) 4.010 14.032 ( -2.578 6.044 0.149) 6.572 14.211 ( 2.258 2.981 4.627) 5.950 ======================= Grid point 746 (378/462) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 7.420 -0.000 4.865) 8.872 3.231 ( 15.571 -0.000 -3.319) 15.921 4.206 ( -1.032 0.000 25.821) 25.842 4.723 ( -0.497 0.000 -12.963) 12.972 5.225 ( -15.532 0.000 10.751) 18.890 5.673 ( 7.600 -0.000 3.051) 8.189 7.161 ( -23.476 0.000 14.423) 27.552 7.448 ( -8.236 0.000 6.375) 10.415 8.825 ( 4.647 -0.000 -12.178) 13.034 8.878 ( 11.353 -0.000 -21.092) 23.954 11.560 ( 2.288 -0.000 0.794) 2.422 12.238 ( -0.439 0.000 -2.382) 2.422 12.574 ( 4.849 -0.000 -2.516) 5.463 12.638 ( -1.445 0.000 8.502) 8.624 12.865 ( -0.274 0.000 0.056) 0.279 13.470 ( 2.650 -0.000 -5.875) 6.445 13.611 ( -1.926 0.000 8.805) 9.013 14.378 ( 0.238 -0.000 -6.750) 6.754 ======================= Grid point 747 (379/462) ======================= q-point: ( 0.46 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( 6.764 0.812 4.229) 8.018 3.397 ( 9.590 -1.576 0.823) 9.754 4.345 ( 2.820 5.031 18.780) 19.645 4.712 ( 1.280 -9.410 -11.507) 14.920 5.071 ( -19.228 0.933 12.391) 22.894 5.836 ( 9.278 -6.106 -1.284) 11.181 7.034 ( -23.035 -7.204 18.129) 30.186 7.373 ( -8.616 2.534 8.185) 12.151 8.709 ( 4.691 9.055 -11.733) 15.545 8.942 ( 12.398 -5.913 -21.656) 25.645 11.607 ( 3.974 1.087 2.852) 5.011 12.187 ( -2.040 2.201 -3.910) 4.929 12.560 ( 1.762 5.171 2.731) 6.108 12.701 ( -1.135 -3.865 3.662) 5.444 12.881 ( 3.074 0.930 0.519) 3.253 13.449 ( 0.882 -0.383 -7.180) 7.245 13.683 ( -1.270 -3.757 9.027) 9.860 14.321 ( -1.366 -0.054 -7.315) 7.442 ======================= Grid point 748 (380/462) ======================= q-point: ( 0.54 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 8.436 2.977 1.927) 9.151 3.492 ( -1.316 -1.190 3.812) 4.205 4.378 ( 2.419 7.497 7.217) 10.684 4.803 ( 0.580 -11.344 -10.443) 15.430 5.004 ( -12.209 -5.431 20.695) 24.634 5.982 ( 7.052 -3.137 -8.752) 11.669 7.062 ( -20.800 -14.686 21.634) 33.412 7.320 ( -6.260 -1.073 10.423) 12.205 8.545 ( 2.917 11.231 -8.272) 14.251 9.019 ( 13.374 -4.342 -22.620) 26.634 11.651 ( 4.278 3.558 3.797) 6.737 12.070 ( -3.292 4.990 -5.835) 8.354 12.555 ( 0.826 1.883 5.721) 6.079 12.753 ( 0.846 -2.113 -0.298) 2.295 12.917 ( 2.895 0.897 3.150) 4.371 13.398 ( -0.922 -0.249 -8.772) 8.823 13.800 ( -0.632 -5.555 8.844) 10.463 14.256 ( -2.310 -1.022 -6.348) 6.833 ======================= Grid point 749 (381/462) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -2.625 8.241 1.919) 8.859 3.410 ( -0.197 3.495 0.730) 3.576 4.403 ( 0.080 -4.186 9.925) 10.772 4.864 ( -3.509 -9.500 -10.420) 14.531 5.185 ( 1.136 -7.537 19.525) 20.960 5.949 ( 2.971 5.441 -11.967) 13.478 7.170 ( -14.647 -12.440 16.176) 25.119 7.470 ( -3.734 -16.888 13.994) 22.249 8.359 ( 0.637 12.469 -3.769) 13.042 9.063 ( 12.413 -1.064 -21.154) 24.550 11.665 ( 4.047 5.423 3.675) 7.700 11.899 ( -3.520 6.763 -6.893) 10.278 12.594 ( -1.087 -0.951 5.962) 6.135 12.779 ( 2.990 -0.084 -3.107) 4.313 12.972 ( 1.742 -0.183 5.796) 6.055 13.312 ( -2.182 0.581 -9.281) 9.551 13.936 ( -0.035 -5.733 8.300) 10.088 14.210 ( -2.470 -2.237 -4.844) 5.879 ======================= Grid point 750 (382/462) ======================= q-point: (-0.31 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( -16.192 11.079 1.430) 19.672 3.443 ( 8.522 5.529 1.600) 10.284 4.637 ( 1.651 -15.030 12.324) 19.507 4.807 ( -10.775 -5.219 -11.702) 16.742 5.454 ( 7.515 -5.417 14.176) 16.934 5.786 ( 2.534 10.934 -7.845) 13.694 7.307 ( -8.230 -14.822 10.490) 19.936 7.809 ( 0.821 -21.667 5.394) 22.344 8.173 ( -4.711 11.030 6.201) 13.502 9.048 ( 9.993 4.021 -17.131) 20.236 11.653 ( 2.626 5.803 1.881) 6.642 11.719 ( -1.654 6.772 -5.869) 9.112 12.617 ( -3.940 -2.272 2.666) 5.271 12.784 ( 2.532 1.181 -3.956) 4.843 13.041 ( 1.106 -0.698 6.882) 7.005 13.214 ( -1.648 1.179 -7.465) 7.735 14.066 ( 0.475 -4.536 7.513) 8.789 14.186 ( -2.237 -2.514 -3.593) 4.923 ======================= Grid point 751 (383/462) ======================= q-point: (-0.23 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -15.644 9.178 3.625) 18.496 3.488 ( 8.567 4.922 1.910) 10.063 4.575 ( -16.760 -0.029 -15.161) 22.600 4.981 ( 1.367 -18.497 10.370) 21.249 5.619 ( 4.832 12.859 3.726) 14.233 5.715 ( 9.475 -3.035 5.498) 11.367 7.521 ( -4.441 -18.144 6.779) 19.872 7.917 ( 5.366 10.499 -11.444) 16.431 8.238 ( -9.468 -20.689 20.198) 30.424 8.956 ( 7.049 10.014 -10.875) 16.378 11.541 ( -1.621 5.861 -3.973) 7.263 11.663 ( 3.852 3.955 0.177) 5.523 12.602 ( -5.360 -3.248 -1.213) 6.383 12.734 ( -1.886 1.885 -5.880) 6.457 13.110 ( 0.986 -0.442 6.460) 6.550 13.149 ( 0.572 1.467 -3.423) 3.767 14.165 ( -1.360 -1.255 -0.156) 1.858 14.176 ( 0.289 -2.625 4.244) 4.998 ======================= Grid point 752 (384/462) ======================= q-point: (-0.15 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -11.831 5.090 5.293) 13.924 3.536 ( 8.717 5.417 0.533) 10.277 4.228 ( -19.165 0.751 -15.629) 24.741 5.250 ( -0.947 -8.497 4.158) 9.507 5.550 ( 4.610 6.711 5.604) 9.884 5.931 ( 11.943 -2.115 7.606) 14.316 7.703 ( -1.059 7.987 -0.579) 8.078 7.805 ( -2.883 -15.102 3.203) 15.705 8.518 ( -2.542 -13.482 4.352) 14.393 8.816 ( 3.816 10.313 -2.167) 11.208 11.455 ( 0.720 2.675 -0.874) 2.905 11.667 ( 3.585 1.594 -0.996) 4.048 12.557 ( -6.499 -2.699 -3.998) 8.094 12.620 ( -4.910 0.357 -7.731) 9.166 13.117 ( 1.117 2.628 0.124) 2.858 13.178 ( 1.547 -0.599 4.685) 4.970 14.133 ( -1.857 0.960 -1.387) 2.508 14.251 ( 1.272 -0.416 5.773) 5.926 ======================= Grid point 753 (385/462) ======================= q-point: (-0.08 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -5.860 1.106 5.303) 7.980 3.504 ( 6.289 11.412 -8.043) 15.313 3.955 ( -15.205 -6.998 -7.634) 18.397 5.227 ( -1.901 10.877 7.511) 13.354 5.616 ( 3.017 -4.956 -4.725) 7.482 6.165 ( 10.807 -0.650 10.991) 15.428 7.526 ( -5.181 9.889 5.006) 12.235 8.055 ( -1.985 -18.952 1.413) 19.108 8.473 ( 0.958 16.281 0.862) 16.332 8.860 ( 1.891 -9.541 -2.684) 10.090 11.483 ( 3.321 -1.905 3.309) 5.061 11.692 ( 3.157 -0.500 -1.780) 3.658 12.441 ( -7.061 1.129 -5.740) 9.169 12.535 ( -5.764 -4.881 -8.576) 11.427 13.092 ( 0.311 3.208 1.758) 3.671 13.236 ( 2.509 -0.392 2.891) 3.848 14.074 ( -1.899 3.588 -0.064) 4.060 14.299 ( 1.602 1.309 5.084) 5.488 ======================= Grid point 760 (386/462) ======================= q-point: ( 0.46 0.46 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 0.111 -0.000 8.404) 8.405 3.512 ( 7.385 -0.000 0.148) 7.386 4.521 ( -1.932 0.000 11.227) 11.392 4.615 ( 8.332 -0.000 -12.844) 15.310 4.933 ( -17.845 0.000 19.633) 26.531 5.898 ( 11.122 -0.000 -6.483) 12.873 6.837 ( -24.041 0.000 23.685) 33.748 7.341 ( -8.494 0.000 8.142) 11.766 8.773 ( 5.814 -0.000 -13.302) 14.517 8.885 ( 13.430 -0.000 -21.449) 25.306 11.705 ( 5.814 -0.000 4.471) 7.334 12.140 ( -3.256 0.000 -5.005) 5.971 12.611 ( -8.956 0.000 9.183) 12.827 12.682 ( 6.256 -0.000 -2.048) 6.583 12.947 ( 4.868 -0.000 0.586) 4.903 13.389 ( -1.096 0.000 -8.561) 8.631 13.713 ( -0.563 0.000 10.131) 10.146 14.242 ( -2.263 0.000 -8.081) 8.392 ======================= Grid point 761 (387/462) ======================= q-point: (-0.46 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( -2.965 -2.467 7.704) 8.615 3.546 ( 1.198 2.732 0.772) 3.081 4.408 ( -14.388 2.523 1.830) 14.722 4.688 ( 9.831 -2.752 -10.108) 14.366 5.016 ( -1.741 -4.179 26.056) 26.446 5.973 ( 10.019 -1.313 -14.764) 17.891 6.795 ( -23.655 -9.236 29.670) 39.053 7.303 ( -6.571 -0.449 9.136) 11.263 8.675 ( 6.454 9.358 -12.449) 16.858 8.958 ( 13.528 -5.493 -21.603) 26.074 11.793 ( 5.890 2.868 5.006) 8.245 12.034 ( -4.447 2.688 -6.222) 8.107 12.569 ( -7.590 -0.704 8.404) 11.346 12.752 ( 5.354 -0.992 -1.977) 5.793 13.001 ( 3.794 1.270 2.606) 4.775 13.306 ( -2.528 -0.529 -9.506) 9.851 13.803 ( 0.003 -2.943 10.213) 10.628 14.163 ( -2.551 -0.912 -7.345) 7.829 ======================= Grid point 762 (388/462) ======================= q-point: (-0.38 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -11.716 4.983 1.798) 12.858 3.532 ( 1.235 0.739 2.157) 2.593 4.290 ( -13.493 -7.936 9.716) 18.423 4.734 ( 4.388 0.865 -8.100) 9.253 5.290 ( 6.877 -6.376 18.975) 21.166 5.958 ( 8.047 1.941 -18.631) 20.387 6.896 ( -21.628 -14.580 27.729) 38.069 7.365 ( -3.247 -7.645 12.332) 14.868 8.521 ( 5.427 12.149 -9.432) 16.310 9.038 ( 13.627 -3.636 -21.849) 26.006 11.833 ( 4.925 5.952 4.948) 9.174 11.880 ( -4.631 4.456 -6.680) 9.269 12.554 ( -7.145 -2.192 5.963) 9.561 12.803 ( 4.268 0.139 -2.898) 5.161 13.048 ( 2.042 1.048 5.497) 5.957 13.217 ( -2.139 -0.704 -9.244) 9.514 13.928 ( 0.395 -4.514 9.659) 10.669 14.110 ( -2.270 -2.416 -5.901) 6.768 ======================= Grid point 763 (389/462) ======================= q-point: (-0.31 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( -16.102 10.274 0.688) 19.113 3.558 ( 0.031 -0.654 2.053) 2.154 4.440 ( -8.569 -18.794 14.696) 25.350 4.637 ( -2.730 5.504 -10.705) 12.343 5.585 ( 8.560 -5.690 12.834) 16.442 5.890 ( 8.779 5.322 -13.785) 17.187 7.039 ( -16.429 -16.537 19.237) 30.223 7.601 ( -2.053 -16.434 14.096) 21.748 8.344 ( 3.331 13.740 -5.298) 15.098 9.079 ( 12.734 -0.193 -20.313) 23.975 11.714 ( -3.434 5.390 -5.741) 8.591 11.828 ( 3.843 7.312 4.290) 9.308 12.525 ( -7.202 -2.250 1.908) 7.783 12.792 ( -0.064 1.840 -4.958) 5.289 13.101 ( 0.541 0.019 7.195) 7.215 13.163 ( 1.046 -0.543 -6.302) 6.412 14.063 ( 0.455 -4.731 8.025) 9.327 14.092 ( -1.617 -3.449 -3.832) 5.403 ======================= Grid point 764 (390/462) ======================= q-point: (-0.23 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -14.740 9.071 3.195) 17.600 3.581 ( -1.852 -2.440 1.940) 3.626 4.375 ( -6.872 10.003 -14.841) 19.172 4.744 ( -6.514 -22.220 13.992) 27.054 5.783 ( 6.663 1.038 -4.993) 8.390 5.886 ( 10.202 2.625 7.948) 13.196 7.231 ( -11.172 -19.699 12.696) 25.963 7.915 ( 3.430 -16.327 2.034) 16.807 8.161 ( -4.011 10.964 7.252) 13.743 9.067 ( 10.937 4.372 -16.500) 20.273 11.579 ( -0.941 4.997 -3.569) 6.212 11.793 ( 2.958 7.172 2.956) 8.302 12.470 ( -7.248 -2.510 -1.335) 7.786 12.687 ( -3.706 3.107 -7.298) 8.755 13.156 ( 1.939 -0.554 0.046) 2.017 13.162 ( 0.710 0.282 3.884) 3.959 14.092 ( -1.515 -3.396 -3.156) 4.877 14.189 ( 0.830 -3.688 7.394) 8.304 ======================= Grid point 765 (391/462) ======================= q-point: (-0.15 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -10.020 5.438 5.588) 12.696 3.609 ( -4.985 -5.946 1.314) 7.870 4.019 ( -5.487 13.547 -16.511) 22.051 5.048 ( -6.044 -19.618 10.201) 22.923 5.721 ( 3.357 8.498 -4.903) 10.369 6.105 ( 10.519 -2.572 12.112) 16.247 7.480 ( -7.553 -21.669 8.419) 24.443 7.895 ( 5.358 14.483 -10.452) 18.646 8.286 ( -7.492 -18.416 16.181) 25.634 8.994 ( 7.886 9.333 -10.198) 15.915 11.516 ( 2.597 3.265 -0.370) 4.188 11.752 ( 2.564 5.230 0.906) 5.894 12.402 ( -7.281 -2.913 -3.537) 8.603 12.532 ( -4.699 3.498 -8.403) 10.243 13.159 ( 2.189 1.483 -1.855) 3.230 13.215 ( -0.126 -0.935 6.054) 6.127 14.095 ( -1.385 -1.880 -1.881) 2.998 14.287 ( 0.842 -2.156 6.138) 6.560 ======================= Grid point 766 (392/462) ======================= q-point: (-0.08 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -3.395 1.465 6.466) 7.448 3.603 ( -14.446 -6.817 -11.608) 19.746 3.708 ( 5.686 11.814 -3.535) 13.579 5.260 ( -2.948 -10.527 4.585) 11.855 5.590 ( -2.899 6.409 -0.616) 7.061 6.351 ( 9.356 -1.779 11.934) 15.269 7.664 ( 1.221 12.038 -4.658) 12.965 7.759 ( -6.401 -18.883 6.284) 20.905 8.518 ( -1.306 -11.375 2.638) 11.750 8.871 ( 2.014 10.040 -1.183) 10.308 11.552 ( 5.923 0.327 2.602) 6.478 11.731 ( 2.818 2.377 -0.861) 3.786 12.328 ( -6.497 -3.205 -5.027) 8.817 12.369 ( -4.797 2.756 -8.714) 10.321 13.143 ( 0.888 2.428 -0.391) 2.614 13.268 ( 0.796 -1.312 3.724) 4.028 14.080 ( -1.449 0.495 -0.450) 1.596 14.354 ( 0.768 -0.539 4.970) 5.057 ======================= Grid point 774 (393/462) ======================= q-point: (-0.46 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( -7.138 0.000 7.894) 10.643 3.545 ( -3.815 0.000 -0.663) 3.872 4.198 ( -21.480 0.000 4.058) 21.860 4.796 ( 16.835 -0.000 -8.949) 19.066 5.162 ( 1.624 -0.000 23.732) 23.787 5.968 ( 10.493 -0.000 -21.330) 23.772 6.664 ( -25.463 0.000 37.427) 45.267 7.284 ( -4.991 0.000 8.429) 9.795 8.754 ( 8.916 -0.000 -14.580) 17.090 8.926 ( 13.428 -0.000 -20.051) 24.132 11.924 ( 5.953 -0.000 4.981) 7.762 11.945 ( -5.696 0.000 -6.744) 8.828 12.518 ( -8.195 0.000 8.235) 11.618 12.802 ( 5.039 -0.000 -2.007) 5.424 13.071 ( 2.531 -0.000 3.679) 4.465 13.200 ( -2.878 0.000 -9.517) 9.943 13.860 ( 0.415 -0.000 10.785) 10.793 14.074 ( -2.339 0.000 -7.234) 7.603 ======================= Grid point 775 (394/462) ======================= q-point: (-0.38 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( -13.030 4.172 1.962) 13.822 3.486 ( -6.349 -2.486 -0.191) 6.821 4.048 ( -18.429 -7.900 12.957) 23.873 4.863 ( 11.106 8.585 -7.361) 15.850 5.397 ( 5.644 -6.944 15.670) 18.045 5.939 ( 10.803 -0.383 -22.892) 25.316 6.675 ( -26.067 -7.660 38.355) 47.002 7.328 ( -2.002 -4.128 10.068) 11.064 8.689 ( 9.626 9.927 -13.302) 19.187 8.998 ( 13.538 -4.783 -20.157) 24.748 11.811 ( -5.984 1.735 -6.582) 9.063 11.999 ( 4.883 3.697 4.662) 7.698 12.484 ( -7.083 -0.665 6.245) 9.466 12.824 ( 0.872 0.487 -3.020) 3.181 13.110 ( 0.419 0.499 1.033) 1.221 13.133 ( 0.720 -1.151 -3.608) 3.855 13.957 ( 0.491 -2.268 10.388) 10.644 14.012 ( -1.751 -1.739 -6.253) 6.723 ======================= Grid point 776 (395/462) ======================= q-point: (-0.31 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( -15.960 8.662 0.288) 18.162 3.450 ( -8.962 -5.696 -0.927) 10.660 4.154 ( -13.703 -18.255 18.655) 29.479 4.729 ( 3.589 14.240 -9.625) 17.558 5.661 ( 6.272 -6.936 8.138) 12.396 5.951 ( 12.945 -0.823 -16.852) 21.266 6.756 ( -23.955 -12.901 31.928) 41.948 7.496 ( -0.701 -10.293 13.480) 16.975 8.551 ( 8.317 13.703 -10.476) 19.149 9.079 ( 13.910 -2.777 -20.300) 24.765 11.677 ( -4.394 1.936 -5.320) 7.167 12.009 ( 3.555 6.813 4.630) 8.972 12.435 ( -6.779 0.107 2.800) 7.335 12.759 ( -3.455 1.803 -5.261) 6.547 13.126 ( 3.405 -1.494 -3.367) 5.016 13.162 ( -0.121 -0.113 4.901) 4.903 13.987 ( -1.318 -3.412 -4.979) 6.178 14.078 ( 0.510 -3.661 9.276) 9.985 ======================= Grid point 777 (396/462) ======================= q-point: (-0.23 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -13.553 7.808 2.890) 15.906 3.402 ( -12.137 -7.716 -2.838) 14.659 4.424 ( -9.036 -19.857 12.768) 25.278 4.463 ( -1.736 13.410 -5.455) 14.581 5.813 ( 4.980 -1.930 -3.811) 6.561 6.057 ( 12.180 -1.949 -1.214) 12.394 6.900 ( -19.337 -18.365 23.612) 35.619 7.760 ( -0.700 -14.428 13.568) 19.818 8.371 ( 5.548 15.884 -6.720) 18.117 9.125 ( 13.408 0.653 -18.998) 23.262 11.590 ( -1.131 1.298 -2.959) 3.423 11.966 ( 2.250 8.910 4.331) 10.159 12.358 ( -6.869 0.113 0.009) 6.870 12.635 ( -3.656 3.297 -7.070) 8.615 13.167 ( 3.927 -0.899 -3.598) 5.402 13.194 ( -1.764 -0.437 6.686) 6.928 13.998 ( -0.995 -4.390 -3.756) 5.863 14.196 ( 0.303 -3.884 7.817) 8.734 ======================= Grid point 778 (397/462) ======================= q-point: (-0.15 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -8.294 4.565 5.594) 10.996 3.326 ( -14.799 -9.581 -5.937) 18.602 4.166 ( 2.802 17.209 -10.112) 20.156 4.733 ( -12.052 -23.072 17.182) 31.189 5.792 ( 2.846 4.286 -9.339) 10.662 6.268 ( 10.512 -3.912 8.143) 13.861 7.121 ( -14.733 -22.822 17.277) 32.193 8.026 ( 5.572 -9.074 -2.333) 10.901 8.173 ( -4.304 10.589 8.873) 14.470 9.118 ( 11.219 4.942 -15.667) 19.893 11.579 ( 2.899 0.258 -0.171) 2.915 11.889 ( 1.597 8.827 3.336) 9.571 12.271 ( -6.562 -0.429 -2.033) 6.883 12.486 ( -2.524 4.789 -8.212) 9.836 13.186 ( 3.007 0.622 -3.612) 4.741 13.228 ( -2.260 -1.436 6.360) 6.901 14.024 ( -0.932 -3.998 -2.341) 4.725 14.297 ( 0.029 -3.310 6.047) 6.894 ======================= Grid point 779 (398/462) ======================= q-point: (-0.08 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -1.658 0.629 7.028) 7.248 3.230 ( -14.355 -10.498 -9.442) 20.135 3.929 ( 3.931 14.942 -5.066) 16.260 5.001 ( -10.766 -20.704 12.938) 26.683 5.659 ( -0.501 8.210 -6.466) 10.463 6.502 ( 8.267 -3.189 8.823) 12.504 7.397 ( -10.885 -23.970 12.724) 29.240 7.889 ( 5.527 17.693 -9.236) 20.710 8.320 ( -6.331 -15.541 12.831) 21.125 9.036 ( 6.596 10.000 -9.892) 15.535 11.644 ( 5.756 -0.880 0.965) 5.902 11.827 ( 2.809 6.294 2.713) 7.407 12.181 ( -5.618 -0.618 -5.113) 7.622 12.336 ( -1.313 4.991 -7.106) 8.783 13.177 ( 1.534 1.691 -2.288) 3.232 13.268 ( -1.236 -2.268 4.037) 4.792 14.046 ( -1.057 -2.371 -0.862) 2.735 14.371 ( -0.288 -2.255 4.402) 4.955 ======================= Grid point 788 (399/462) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -15.636 0.000 0.405) 15.641 3.347 ( -10.012 0.000 -3.021) 10.458 3.872 ( -18.540 0.000 20.839) 27.892 5.011 ( 9.509 -0.000 -13.004) 16.110 5.489 ( 3.915 -0.000 12.571) 13.167 5.913 ( 12.319 -0.000 -21.761) 25.006 6.580 ( -28.580 0.000 43.810) 52.308 7.358 ( 1.160 -0.000 9.329) 9.401 8.814 ( 12.918 -0.000 -15.048) 19.832 8.975 ( 12.318 -0.000 -18.210) 21.985 11.700 ( -6.389 0.000 -5.720) 8.575 12.106 ( 3.546 -0.000 3.628) 5.073 12.451 ( -5.169 0.000 5.892) 7.838 12.783 ( -4.025 0.000 -3.724) 5.484 13.096 ( 4.828 -0.000 -6.620) 8.194 13.161 ( -1.011 0.000 6.192) 6.274 13.936 ( -1.166 0.000 -6.330) 6.436 14.022 ( 0.291 -0.000 10.634) 10.638 ======================= Grid point 789 (400/462) ======================= q-point: (-0.31 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -15.429 5.525 0.022) 16.388 3.218 ( -13.235 -4.807 -3.704) 14.560 3.900 ( -17.438 -11.873 25.336) 32.969 4.886 ( 3.027 11.978 -15.359) 19.712 5.673 ( 4.512 -7.028 6.248) 10.430 5.955 ( 13.227 -3.301 -17.507) 22.189 6.571 ( -28.320 -5.184 42.534) 51.362 7.490 ( 2.909 -4.854 11.177) 12.528 8.770 ( 11.814 11.790 -13.341) 21.367 9.058 ( 13.492 -5.187 -18.510) 23.486 11.596 ( -4.763 -0.265 -3.827) 6.116 12.141 ( 1.975 2.824 3.063) 4.611 12.414 ( -4.240 2.825 3.992) 6.472 12.692 ( -4.664 0.820 -4.274) 6.379 13.132 ( 5.860 -1.129 -5.422) 8.063 13.184 ( -2.603 -0.223 6.552) 7.054 13.898 ( -0.633 -2.144 -5.647) 6.074 14.108 ( -0.244 -1.943 9.708) 9.904 ======================= Grid point 790 (401/462) ======================= q-point: (-0.23 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -11.871 5.724 2.462) 13.407 3.092 ( -15.989 -7.169 -5.295) 18.305 4.099 ( -16.738 -20.265 25.368) 36.529 4.615 ( 1.067 14.380 -13.776) 19.942 5.808 ( 2.764 -2.481 -1.565) 4.030 6.096 ( 12.981 -8.665 -10.991) 19.089 6.627 ( -26.046 -10.636 38.023) 47.300 7.702 ( 1.875 -8.459 13.058) 15.671 8.622 ( 9.223 15.753 -10.637) 21.127 9.151 ( 14.251 -2.221 -18.896) 23.772 11.551 ( -1.610 -1.675 -1.298) 2.661 12.123 ( 1.091 5.422 2.895) 6.242 12.325 ( -4.661 4.901 2.387) 7.173 12.594 ( -2.138 2.396 -5.777) 6.610 13.177 ( 4.019 -0.916 -3.736) 5.563 13.198 ( -3.039 -0.782 5.286) 6.147 13.901 ( -0.382 -4.089 -4.419) 6.033 14.199 ( -0.810 -3.176 7.905) 8.558 ======================= Grid point 791 (402/462) ======================= q-point: (-0.15 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -7.093 2.909 5.371) 9.361 2.957 ( -16.464 -8.727 -7.456) 20.070 4.331 ( -2.586 3.481 -3.696) 5.697 4.391 ( -12.495 -12.591 17.478) 24.903 5.800 ( 2.298 2.054 -8.838) 9.360 6.329 ( 11.072 -9.999 -3.891) 15.418 6.771 ( -22.885 -17.903 33.216) 44.131 7.929 ( -0.713 -10.054 12.030) 15.694 8.419 ( 6.342 18.113 -7.333) 20.545 9.194 ( 13.210 1.833 -18.212) 22.573 11.584 ( 1.407 -3.109 0.780) 3.500 12.063 ( 1.327 8.096 3.421) 8.889 12.215 ( -4.385 4.006 0.741) 5.986 12.488 ( 0.655 4.947 -7.549) 9.050 13.201 ( 2.781 -0.218 -3.627) 4.576 13.207 ( -3.575 -1.585 4.699) 6.114 13.935 ( -0.407 -4.963 -2.910) 5.768 14.282 ( -1.262 -3.673 5.705) 6.901 ======================= Grid point 792 (403/462) ======================= q-point: (-0.08 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -2.096 -1.544 8.208) 8.610 2.842 ( -13.664 -10.221 -9.240) 19.405 4.126 ( 1.921 12.949 -5.286) 14.118 4.651 ( -15.789 -22.438 20.818) 34.440 5.704 ( 1.897 5.457 -9.766) 11.347 6.556 ( 7.264 -7.938 -1.578) 10.874 7.023 ( -18.104 -23.372 28.092) 40.782 8.100 ( 4.707 -1.814 -5.844) 7.720 8.206 ( -3.830 9.639 10.595) 14.827 9.163 ( 10.223 6.572 -15.695) 19.850 11.661 ( 1.946 -3.376 0.491) 3.927 12.004 ( 3.105 7.461 4.839) 9.419 12.120 ( -2.024 3.677 -2.147) 4.714 12.373 ( 2.522 6.394 -7.294) 10.023 13.197 ( 2.164 1.120 -3.811) 4.524 13.230 ( -3.327 -3.280 3.997) 6.148 13.980 ( -0.600 -4.451 -1.368) 4.695 14.347 ( -1.620 -3.495 3.614) 5.282 ======================= Grid point 802 (404/462) ======================= q-point: (-0.31 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -12.688 0.000 0.424) 12.696 2.966 ( -16.913 0.000 -4.788) 17.578 3.782 ( -19.733 0.000 30.491) 36.320 4.859 ( -0.412 0.000 -20.258) 20.262 5.717 ( 5.667 -0.000 4.414) 7.183 5.954 ( 7.349 -0.000 -12.033) 14.099 6.501 ( -26.823 0.000 43.068) 50.737 7.585 ( 5.302 -0.000 10.487) 11.751 8.955 ( 15.172 -0.000 -14.474) 20.968 9.016 ( 10.883 -0.000 -16.805) 20.021 11.522 ( -3.327 0.000 -1.369) 3.597 12.180 ( -0.736 0.000 1.632) 1.790 12.436 ( -1.285 0.000 3.534) 3.760 12.618 ( -3.697 0.000 -3.146) 4.854 13.160 ( 6.269 -0.000 -5.966) 8.654 13.185 ( -4.366 0.000 6.581) 7.898 13.838 ( -0.065 0.000 -5.706) 5.707 14.151 ( -1.344 0.000 9.057) 9.156 ======================= Grid point 803 (405/462) ======================= q-point: (-0.23 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -10.420 3.960 1.670) 11.271 2.757 ( -17.604 -5.657 -4.663) 19.070 3.842 ( -20.242 -12.002 31.946) 39.678 4.655 ( -1.197 6.804 -17.446) 18.764 5.814 ( 3.097 -0.126 0.101) 3.101 6.003 ( 4.400 -9.262 -7.502) 12.705 6.502 ( -23.918 -3.463 38.943) 45.833 7.747 ( 4.361 -3.171 11.124) 12.362 8.871 ( 10.983 13.742 -12.931) 21.833 9.144 ( 14.093 -5.692 -17.192) 22.947 11.508 ( -0.819 -1.746 1.300) 2.326 12.159 ( -2.514 0.848 0.346) 2.675 12.409 ( 0.081 6.186 3.448) 7.083 12.566 ( -0.428 0.532 -3.837) 3.897 13.171 ( -5.413 -0.447 6.007) 8.099 13.195 ( 5.170 -0.459 -5.818) 7.797 13.820 ( 0.210 -2.556 -4.964) 5.587 14.199 ( -2.331 -1.831 7.376) 7.949 ======================= Grid point 804 (406/462) ======================= q-point: (-0.15 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -16.089 -1.968 3.408) 16.563 2.642 ( -7.165 -3.935 -3.753) 8.995 4.038 ( -19.476 -18.951 30.076) 40.534 4.439 ( -0.466 7.851 -11.137) 13.634 5.795 ( 1.671 1.900 -6.894) 7.343 6.195 ( 3.654 -15.337 -5.118) 16.576 6.567 ( -22.373 -8.937 37.852) 44.869 7.911 ( 0.510 -4.375 11.022) 11.870 8.696 ( 8.566 16.989 -10.147) 21.563 9.240 ( 14.112 -0.857 -18.273) 23.104 11.561 ( 0.848 -3.223 2.939) 4.444 12.108 ( -2.803 1.131 -1.163) 3.238 12.336 ( 1.698 9.328 5.027) 10.732 12.526 ( 3.367 3.362 -6.074) 7.716 13.153 ( -6.206 -1.810 5.406) 8.428 13.213 ( 4.000 0.168 -5.762) 7.016 13.843 ( 0.189 -4.599 -3.567) 5.823 14.246 ( -2.910 -3.271 5.084) 6.709 ======================= Grid point 805 (407/462) ======================= q-point: (-0.08 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -17.917 -10.404 6.761) 21.794 2.633 ( 3.111 -1.519 -3.068) 4.626 4.223 ( -6.252 -1.207 4.930) 8.052 4.335 ( -11.561 -11.395 17.185) 23.640 5.725 ( 3.472 3.419 -11.163) 12.181 6.407 ( 1.313 -15.741 -6.633) 17.132 6.745 ( -20.587 -16.461 37.851) 46.125 8.023 ( -4.065 -5.155 8.386) 10.650 8.481 ( 6.615 18.656 -5.919) 20.660 9.254 ( 12.521 3.918 -18.400) 22.598 11.635 ( 0.223 -2.876 2.379) 3.739 12.049 ( -1.861 1.402 -2.785) 3.631 12.284 ( 4.797 9.284 6.818) 12.478 12.465 ( 5.707 6.501 -7.041) 11.154 13.153 ( -5.324 -3.904 3.955) 7.696 13.209 ( 2.719 0.805 -5.042) 5.784 13.895 ( -0.009 -5.369 -2.002) 5.730 14.287 ( -3.177 -4.053 2.761) 5.843 ======================= Grid point 816 (408/462) ======================= q-point: (-0.23 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -23.616 0.000 -1.392) 23.657 2.597 ( -2.428 0.000 1.386) 2.796 3.740 ( -21.454 0.000 36.222) 42.099 4.553 ( -1.810 0.000 -16.816) 16.914 5.873 ( -5.845 0.000 -0.739) 5.891 5.897 ( 5.971 -0.000 0.446) 5.987 6.455 ( -21.072 0.000 32.306) 38.571 7.855 ( 3.813 -0.000 9.873) 10.584 9.031 ( 9.081 -0.000 -16.025) 18.419 9.140 ( 15.943 -0.000 -13.823) 21.101 11.512 ( 0.666 -0.000 3.809) 3.867 12.122 ( -3.520 0.000 -1.152) 3.704 12.502 ( 3.605 -0.000 2.359) 4.308 12.544 ( 0.430 -0.000 -2.255) 2.295 13.133 ( -6.614 0.000 5.388) 8.531 13.214 ( 4.969 -0.000 -6.227) 7.966 13.772 ( 0.650 -0.000 -4.871) 4.914 14.195 ( -3.711 0.000 6.046) 7.094 ======================= Grid point 817 (409/462) ======================= q-point: (-0.15 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -22.812 -3.515 5.556) 23.740 2.610 ( 2.778 -0.388 0.630) 2.875 3.816 ( -20.669 -10.592 36.891) 43.593 4.415 ( -0.504 2.310 -12.225) 12.451 5.781 ( -3.586 1.055 -2.336) 4.408 6.022 ( 0.363 -8.583 1.285) 8.687 6.448 ( -20.089 -5.288 29.482) 36.065 7.953 ( 0.004 -0.813 8.272) 8.312 8.931 ( 8.705 12.028 -12.889) 19.662 9.268 ( 14.871 -2.595 -16.308) 22.223 11.569 ( 1.299 -1.451 5.063) 5.425 12.068 ( -2.702 0.224 -2.563) 3.731 12.502 ( 2.556 5.227 2.614) 6.378 12.575 ( 5.842 0.955 -2.615) 6.471 13.086 ( -7.387 -0.754 4.649) 8.760 13.224 ( 3.949 0.265 -6.284) 7.426 13.770 ( 0.846 -2.814 -3.846) 4.840 14.194 ( -4.487 -2.066 4.059) 6.393 ======================= Grid point 818 (410/462) ======================= q-point: (-0.08 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -16.685 -8.083 14.179) 23.340 2.682 ( 7.348 -0.866 -0.263) 7.403 4.009 ( -19.099 -15.364 33.912) 41.843 4.322 ( 1.264 2.531 -5.445) 6.136 5.718 ( 2.083 0.878 -10.103) 10.353 6.152 ( -5.593 -12.837 2.769) 14.274 6.540 ( -19.403 -12.909 30.018) 38.003 7.980 ( -5.083 -0.787 5.361) 7.429 8.762 ( 7.731 15.624 -8.466) 19.380 9.323 ( 13.320 1.995 -18.517) 22.897 11.634 ( 0.345 -0.997 4.395) 4.520 12.018 ( -1.206 0.422 -3.760) 3.972 12.491 ( 3.844 5.276 4.716) 8.053 12.592 ( 8.255 5.895 -4.348) 11.036 13.053 ( -7.072 -3.436 3.973) 8.809 13.216 ( 2.900 0.655 -6.014) 6.709 13.812 ( 0.784 -4.754 -2.398) 5.382 14.199 ( -4.734 -3.778 1.866) 6.338 ======================= Grid point 830 (411/462) ======================= q-point: (-0.15 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -17.534 0.000 16.652) 24.181 2.668 ( 6.478 -0.000 0.166) 6.480 3.767 ( -19.750 0.000 40.630) 45.176 4.351 ( 1.555 -0.000 -10.396) 10.511 5.705 ( -9.393 0.000 4.799) 10.548 5.987 ( 1.646 -0.000 -2.666) 3.133 6.352 ( -20.021 0.000 25.488) 32.411 7.978 ( -3.023 0.000 4.388) 5.329 9.021 ( 7.933 -0.000 -14.398) 16.439 9.325 ( 14.745 -0.000 -14.890) 20.955 11.618 ( 1.492 -0.000 6.092) 6.272 12.021 ( -1.465 0.000 -3.574) 3.863 12.559 ( 2.821 -0.000 -1.368) 3.135 12.674 ( 7.483 -0.000 1.688) 7.671 13.016 ( -8.115 0.000 3.707) 8.922 13.225 ( 3.323 -0.000 -6.773) 7.545 13.739 ( 1.449 -0.000 -3.184) 3.498 14.141 ( -5.547 0.000 2.606) 6.129 ======================= Grid point 831 (412/462) ======================= q-point: (-0.08 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 846 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -7.764 -2.966 26.447) 27.722 2.768 ( 9.124 -0.932 -0.700) 9.199 3.878 ( -18.148 -7.452 40.142) 44.680 4.332 ( 5.095 -0.104 -5.887) 7.787 5.651 ( -4.169 -2.341 -1.108) 4.908 5.980 ( -5.755 -4.065 -0.505) 7.064 6.341 ( -19.724 -8.310 25.382) 33.202 7.931 ( -6.158 0.528 -0.277) 6.187 8.961 ( 7.648 8.601 -10.681) 15.702 9.378 ( 12.309 1.163 -17.102) 21.103 11.674 ( 0.731 0.440 5.536) 5.601 11.984 ( -0.227 0.029 -4.145) 4.152 12.587 ( 4.044 0.926 -0.053) 4.149 12.751 ( 7.602 3.653 0.063) 8.435 12.947 ( -8.539 -1.881 3.789) 9.530 13.211 ( 2.599 0.255 -6.958) 7.432 13.760 ( 1.723 -2.568 -1.954) 3.658 14.099 ( -5.955 -2.424 0.983) 6.504 ======================= Grid point 844 (413/462) ======================= q-point: (-0.08 -0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -0.101 0.000 31.926) 31.926 2.869 ( 9.509 -0.000 -1.023) 9.564 3.913 ( -15.369 0.000 41.470) 44.226 4.389 ( 10.570 -0.000 -3.265) 11.063 5.578 ( -5.463 0.000 4.164) 6.869 5.842 ( -9.520 0.000 -6.696) 11.640 6.215 ( -19.502 0.000 25.363) 31.994 7.837 ( -5.540 0.000 -6.288) 8.381 9.034 ( 7.145 -0.000 -10.432) 12.644 9.406 ( 9.530 -0.000 -16.430) 18.994 11.728 ( 0.659 -0.000 5.434) 5.473 11.955 ( 0.239 -0.000 -4.133) 4.140 12.644 ( 4.877 -0.000 -0.150) 4.879 12.842 ( -6.737 0.000 1.967) 7.018 12.864 ( 2.678 -0.000 2.046) 3.370 13.190 ( 2.237 -0.000 -7.622) 7.944 13.758 ( 2.408 -0.000 -0.891) 2.568 14.009 ( -6.429 0.000 0.294) 6.436 ======================= Grid point 845 (414/462) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 7.972 -0.000 -13.330) 15.532 2.904 ( -7.972 0.000 13.330) 15.532 4.758 ( 15.267 -0.000 -15.484) 21.745 4.758 ( -15.267 0.000 15.484) 21.745 5.208 ( 19.590 -0.000 -7.326) 20.915 5.208 ( -19.590 0.000 7.326) 20.915 7.096 ( 14.472 -0.000 -38.767) 41.380 7.096 ( -14.472 0.000 38.767) 41.380 9.087 ( 2.501 -0.000 -8.838) 9.185 9.087 ( -2.501 0.000 8.838) 9.185 11.852 ( 0.043 -0.000 -2.251) 2.251 11.852 ( -0.043 0.000 2.251) 2.251 12.771 ( 7.573 -0.000 -2.654) 8.024 12.771 ( -7.573 0.000 2.654) 8.024 12.986 ( 0.286 -0.000 -4.823) 4.831 12.986 ( -0.286 0.000 4.823) 4.831 13.850 ( -4.542 0.000 -0.887) 4.628 13.850 ( 4.542 -0.000 0.887) 4.628 ======================= Grid point 847 (415/462) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -4.056 1.848 -6.098) 7.554 2.898 ( -0.784 -2.140 -4.709) 5.232 4.603 ( -20.613 -4.054 -1.255) 21.045 4.785 ( 12.599 -3.901 -28.956) 31.818 5.120 ( -13.054 1.355 25.213) 28.424 5.460 ( 18.042 -1.475 6.636) 19.280 7.092 ( 19.275 -7.375 -37.078) 42.435 7.269 ( -6.385 -5.458 34.471) 35.480 9.022 ( 1.508 4.117 -8.678) 9.723 9.081 ( -4.561 4.253 10.198) 11.954 11.817 ( 0.072 2.443 -2.892) 3.786 11.854 ( -0.432 1.921 3.399) 3.928 12.708 ( -7.055 -1.301 1.491) 7.328 12.861 ( 7.132 -2.022 -1.692) 7.604 12.942 ( -0.916 0.874 -5.250) 5.400 13.013 ( -1.104 -0.074 5.907) 6.010 13.808 ( -4.003 -2.112 -0.366) 4.540 13.931 ( 5.052 -2.068 1.543) 5.672 ======================= Grid point 848 (416/462) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -5.288 2.774 -12.519) 13.871 2.881 ( -2.584 -4.211 -6.481) 8.149 4.413 ( -16.043 -4.005 -3.093) 16.823 4.812 ( 13.861 -8.002 -31.559) 35.385 5.161 ( -10.280 0.013 28.254) 30.066 5.752 ( 12.137 -5.187 10.481) 16.854 7.231 ( 18.785 -12.591 -31.542) 38.811 7.532 ( -0.563 -6.665 26.093) 26.937 8.894 ( 1.798 7.326 -10.584) 12.998 9.008 ( -7.134 7.028 12.409) 15.946 11.757 ( 0.643 3.488 -3.142) 4.738 11.841 ( -0.342 3.395 5.315) 6.316 12.639 ( -7.244 -0.079 -0.082) 7.245 12.846 ( -3.707 2.944 -4.930) 6.835 12.983 ( 7.348 -3.608 -2.636) 8.600 13.044 ( -1.530 -0.380 6.588) 6.774 13.809 ( -3.195 -4.587 0.370) 5.602 14.048 ( 5.151 -3.682 2.236) 6.715 ======================= Grid point 849 (417/462) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -3.151 0.266 -9.992) 10.481 2.865 ( -2.385 -6.425 -10.072) 12.182 4.270 ( -9.494 0.551 -1.724) 9.665 4.912 ( 14.565 -11.505 -28.707) 34.185 5.248 ( -8.597 -2.390 24.240) 25.830 6.040 ( 7.786 -7.809 10.984) 15.565 7.428 ( 13.867 -13.961 -23.941) 30.990 7.767 ( 0.763 -4.139 17.128) 17.638 8.734 ( 4.555 7.032 -15.268) 17.416 8.897 ( -9.655 7.832 15.614) 19.959 11.703 ( 1.558 3.059 -2.437) 4.210 11.829 ( 0.451 4.789 7.061) 8.543 12.523 ( -8.486 2.493 -0.599) 8.865 12.695 ( -4.774 4.711 -7.972) 10.418 13.073 ( -1.558 -0.695 5.997) 6.235 13.107 ( 5.847 -3.865 -1.451) 7.158 13.860 ( -2.067 -6.453 1.067) 6.860 14.181 ( 4.500 -4.188 2.530) 6.647 ======================= Grid point 850 (418/462) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -0.048 -2.519 0.136) 2.523 2.871 ( 0.072 -9.719 -14.772) 17.683 4.123 ( -5.654 6.593 -0.619) 8.708 5.072 ( 12.849 -12.192 -21.783) 28.076 5.345 ( -5.824 -4.044 15.781) 17.300 6.305 ( 5.219 -7.896 10.696) 14.283 7.592 ( 4.154 -10.955 -12.057) 16.812 7.871 ( 1.597 2.394 4.414) 5.269 8.642 ( 10.055 0.380 -20.695) 23.012 8.786 ( -11.845 6.444 20.305) 24.374 11.682 ( 2.604 1.690 -1.403) 3.407 11.814 ( 1.030 6.718 8.444) 10.840 12.369 ( -8.649 3.081 -1.224) 9.263 12.496 ( -5.569 5.650 -9.310) 12.232 13.101 ( -1.655 -0.906 4.626) 4.996 13.214 ( 4.690 -3.209 -0.995) 5.769 13.940 ( -1.122 -6.318 1.153) 6.520 14.301 ( 3.324 -3.697 2.285) 5.471 ======================= Grid point 851 (419/462) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -0.435 -1.246 7.176) 7.296 2.951 ( 4.192 -13.539 -15.341) 20.886 3.941 ( -4.256 10.511 0.428) 11.348 5.234 ( 7.640 -8.620 -10.883) 15.847 5.434 ( -1.459 -4.859 4.780) 6.970 6.523 ( 3.332 -5.626 9.048) 11.163 7.626 ( -8.647 0.112 7.110) 11.196 7.862 ( 9.321 -0.461 -16.545) 18.995 8.612 ( 1.526 3.124 -5.408) 6.429 8.774 ( -2.261 -3.443 7.773) 8.797 11.693 ( 1.687 0.459 -0.920) 1.976 11.793 ( 2.689 7.225 9.512) 12.243 12.211 ( -7.319 3.034 -6.518) 10.259 12.308 ( -4.897 3.247 -4.307) 7.285 13.121 ( -1.132 -0.727 2.748) 3.060 13.292 ( 3.009 -2.005 -0.518) 3.652 14.012 ( -0.538 -4.388 0.753) 4.484 14.391 ( 1.984 -2.544 1.595) 3.598 ======================= Grid point 852 (420/462) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -0.596 -0.038 3.272) 3.326 3.097 ( 3.448 -8.617 -6.324) 11.231 3.766 ( -2.499 7.097 0.845) 7.571 5.326 ( 1.737 -2.651 -1.825) 3.658 5.502 ( 0.873 -2.748 -0.941) 3.033 6.653 ( 1.195 -2.033 3.846) 4.512 7.546 ( -4.597 2.613 4.642) 7.036 7.878 ( 4.438 -1.815 -9.434) 10.582 8.557 ( -1.283 1.900 1.343) 2.657 8.852 ( 0.766 -2.745 0.527) 2.899 11.676 ( -0.526 1.351 0.251) 1.471 11.854 ( 6.084 1.499 8.410) 10.487 12.022 ( -6.910 2.179 -9.058) 11.599 12.235 ( -1.589 0.436 -0.342) 1.682 13.131 ( -0.402 -0.267 0.900) 1.021 13.333 ( 1.044 -0.668 -0.158) 1.250 14.053 ( -0.161 -1.545 0.245) 1.573 14.439 ( 0.654 -0.914 0.575) 1.263 ======================= Grid point 860 (421/462) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 1.551 -0.000 -26.727) 26.772 2.803 ( -9.518 0.000 5.609) 11.048 4.331 ( -17.818 0.000 1.921) 17.921 4.695 ( 13.106 -0.000 -33.092) 35.593 5.183 ( -9.202 0.000 26.947) 28.475 5.662 ( 8.008 -0.000 10.176) 12.949 7.042 ( 23.898 -0.000 -38.419) 45.245 7.440 ( 1.162 -0.000 31.253) 31.275 9.003 ( -0.161 0.000 -7.049) 7.051 9.117 ( -6.233 0.000 10.230) 11.980 11.812 ( -0.642 0.000 -2.857) 2.928 11.882 ( -0.177 0.000 2.896) 2.901 12.631 ( -6.309 0.000 2.016) 6.624 12.887 ( -3.742 0.000 -1.846) 4.173 12.930 ( 8.563 -0.000 -4.773) 9.804 13.037 ( -1.569 0.000 6.333) 6.524 13.745 ( -3.804 0.000 0.433) 3.829 13.994 ( 5.709 -0.000 1.647) 5.941 ======================= Grid point 861 (422/462) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 0.742 1.230 -25.889) 25.929 2.743 ( -6.853 -2.444 0.042) 7.276 4.206 ( -11.145 -3.025 5.409) 12.752 4.661 ( 14.520 -5.304 -34.233) 37.561 5.256 ( -7.816 1.598 26.447) 27.624 5.825 ( 0.889 -5.489 11.761) 13.009 7.125 ( 23.907 -6.310 -35.631) 43.370 7.682 ( 3.827 -1.462 23.567) 23.920 8.920 ( -0.549 4.214 -7.177) 8.341 9.072 ( -8.500 3.927 10.998) 14.444 11.768 ( -0.637 1.412 -3.571) 3.892 11.900 ( 0.514 0.800 3.805) 3.922 12.571 ( -5.684 0.633 1.781) 5.990 12.794 ( -5.575 2.119 -3.764) 7.053 13.022 ( 8.442 -1.595 -3.340) 9.218 13.064 ( -1.996 -0.276 6.656) 6.955 13.725 ( -3.297 -2.651 1.412) 4.460 14.090 ( 5.805 -1.899 1.676) 6.333 ======================= Grid point 862 (423/462) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 5.507 -1.395 -17.855) 18.737 2.701 ( -3.829 -3.213 -4.327) 6.611 4.183 ( -5.762 -1.770 5.397) 8.091 4.727 ( 15.734 -10.920 -32.198) 37.463 5.317 ( -7.651 1.682 25.001) 26.199 6.011 ( -2.068 -10.959 11.275) 15.858 7.277 ( 19.360 -9.517 -30.049) 36.991 7.874 ( 1.872 -1.032 15.658) 15.804 8.779 ( 1.307 7.193 -10.660) 12.926 8.971 ( -10.480 5.614 13.335) 17.866 11.720 ( -0.091 0.928 -3.639) 3.757 11.928 ( 1.897 1.701 4.810) 5.443 12.483 ( -6.583 3.846 2.641) 8.069 12.645 ( -5.243 4.413 -6.647) 9.547 13.084 ( -2.689 -0.279 6.380) 6.929 13.127 ( 7.450 -2.485 -3.047) 8.424 13.762 ( -2.277 -5.546 2.420) 6.465 14.203 ( 5.020 -2.961 1.386) 5.990 ======================= Grid point 863 (424/462) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 9.241 -3.798 -3.667) 10.643 2.683 ( 0.820 -4.775 -10.186) 11.279 4.154 ( -3.375 3.658 3.998) 6.384 4.888 ( 15.653 -14.280 -27.717) 34.888 5.373 ( -7.141 0.570 21.413) 22.580 6.230 ( -3.227 -13.942 10.356) 17.664 7.419 ( 11.395 -9.630 -22.246) 26.786 7.962 ( -1.768 1.920 9.605) 9.953 8.641 ( 6.971 4.098 -17.746) 19.501 8.858 ( -12.208 5.755 17.506) 22.104 11.695 ( 0.436 -0.432 -3.138) 3.197 11.961 ( 2.902 3.463 5.713) 7.283 12.343 ( -7.273 6.541 2.845) 10.187 12.460 ( -3.492 6.386 -8.498) 11.189 13.098 ( -2.856 -0.708 5.556) 6.287 13.225 ( 6.155 -2.557 -2.888) 7.264 13.846 ( -1.340 -6.816 2.699) 7.452 14.307 ( 3.565 -3.131 0.789) 4.810 ======================= Grid point 864 (425/462) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 2.896 0.900 1.833) 3.543 2.787 ( 11.855 -10.918 -8.500) 18.221 4.044 ( -3.642 9.473 2.973) 10.576 5.095 ( 13.006 -13.646 -20.740) 28.028 5.429 ( -4.845 -0.775 15.502) 16.260 6.438 ( -4.930 -12.809 8.408) 16.096 7.509 ( 2.641 -7.934 -10.661) 13.549 7.910 ( -1.468 6.190 0.286) 6.368 8.606 ( 10.526 -1.090 -20.287) 22.882 8.777 ( -12.088 2.129 20.002) 23.467 11.690 ( -0.618 -0.973 -2.309) 2.580 11.980 ( 3.245 5.177 7.130) 9.390 12.163 ( -5.177 7.898 -4.841) 10.612 12.305 ( -0.939 4.969 -2.162) 5.499 13.112 ( -2.468 -0.992 4.281) 5.040 13.301 ( 4.597 -1.644 -2.846) 5.651 13.942 ( -0.778 -6.026 2.333) 6.508 14.384 ( 1.882 -2.710 0.035) 3.300 ======================= Grid point 865 (426/462) ======================= q-point: ( 0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 3.814 1.301 -5.407) 6.744 3.070 ( 12.388 -8.401 3.509) 15.374 3.859 ( -4.966 11.306 2.344) 12.569 5.263 ( 6.369 -8.199 -9.995) 14.411 5.495 ( -0.364 -1.704 7.320) 7.524 6.551 ( -8.083 -8.551 3.193) 12.192 7.554 ( -3.729 -1.886 5.272) 6.727 7.829 ( 4.611 -0.108 -12.209) 13.051 8.586 ( 2.095 2.424 -4.337) 5.392 8.802 ( -3.939 -4.691 6.569) 8.981 11.660 ( -3.070 -0.209 -1.460) 3.406 11.948 ( -3.813 7.361 -8.342) 11.761 12.029 ( 5.696 2.943 8.546) 10.683 12.266 ( 2.844 2.648 0.613) 3.934 13.124 ( -1.785 -0.819 2.751) 3.380 13.339 ( 2.678 -0.251 -2.842) 3.913 14.019 ( -0.409 -3.873 1.823) 4.300 14.426 ( 0.332 -1.740 -0.852) 1.966 ======================= Grid point 866 (427/462) ======================= q-point: (-0.46 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 5.305 2.015 -8.577) 10.284 3.297 ( 7.326 5.885 13.145) 16.158 3.713 ( -1.954 -0.361 -0.325) 2.013 5.329 ( 0.653 -1.462 -1.861) 2.455 5.546 ( 0.595 1.118 3.700) 3.911 6.522 ( -10.723 -4.789 -4.074) 12.431 7.565 ( 0.516 0.321 4.083) 4.128 7.861 ( 1.966 -4.859 -4.148) 6.684 8.559 ( 0.665 1.118 -0.075) 1.303 8.843 ( -2.707 -1.699 1.759) 3.648 11.621 ( -2.982 -2.588 -3.569) 5.323 11.768 ( -2.842 5.190 -5.487) 8.069 12.157 ( 7.252 -0.622 9.032) 11.600 12.294 ( 5.556 1.620 0.990) 5.872 13.128 ( -0.975 -0.336 0.995) 1.433 13.334 ( 0.525 1.060 -2.659) 2.910 14.061 ( -0.063 -1.002 1.364) 1.693 14.426 ( -0.952 -0.184 -1.827) 2.068 ======================= Grid point 867 (428/462) ======================= q-point: (-0.38 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 6.071 3.145 -8.222) 10.693 3.239 ( -1.904 16.210 15.506) 22.513 3.866 ( 7.829 -10.748 2.138) 13.468 5.304 ( -1.950 3.846 1.939) 4.728 5.513 ( -1.817 6.162 3.704) 7.416 6.380 ( -12.230 -2.169 -9.522) 15.651 7.641 ( 8.251 -3.934 -5.867) 10.861 7.897 ( -6.778 0.856 12.487) 14.234 8.580 ( 3.257 -2.671 -3.543) 5.504 8.798 ( -3.950 3.513 1.741) 5.566 11.607 ( -2.159 -5.391 -8.441) 10.245 11.673 ( -1.924 1.048 -0.410) 2.229 12.326 ( 7.573 -1.013 7.360) 10.608 12.382 ( 7.267 -1.534 4.011) 8.440 13.121 ( -0.179 0.313 -1.048) 1.109 13.288 ( -1.578 2.153 -2.149) 3.427 14.064 ( 0.357 2.087 0.920) 2.308 14.382 ( -2.015 1.710 -2.680) 3.764 ======================= Grid point 868 (429/462) ======================= q-point: (-0.31 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 7.295 2.850 -2.953) 8.370 3.110 ( -3.291 11.481 13.197) 17.799 4.147 ( 12.360 -7.361 5.558) 15.422 5.210 ( -5.810 8.367 9.768) 14.113 5.400 ( -0.017 7.875 -3.808) 8.748 6.157 ( -14.287 0.050 -11.934) 18.615 7.737 ( 10.336 1.496 -11.271) 15.366 7.844 ( -11.221 4.564 17.769) 21.505 8.648 ( -3.915 -3.122 8.867) 10.183 8.718 ( 3.807 0.265 -10.240) 10.928 11.603 ( -1.695 -4.652 -4.429) 6.643 11.671 ( -1.200 -4.274 -3.421) 5.605 12.470 ( 8.843 -0.905 3.775) 9.658 12.559 ( 5.872 -4.507 8.112) 10.982 13.099 ( 0.513 0.938 -3.343) 3.510 13.208 ( -3.446 3.161 -1.288) 4.851 14.028 ( 0.978 4.772 0.544) 4.901 14.294 ( -2.945 3.506 -3.146) 5.555 ======================= Grid point 869 (430/462) ======================= q-point: (-0.23 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 9.163 0.031 2.956) 9.628 3.024 ( -3.831 6.325 9.221) 11.820 4.442 ( 16.988 -2.395 8.261) 19.041 5.083 ( -10.181 10.318 20.407) 25.031 5.257 ( 5.503 6.897 -16.834) 19.006 5.864 ( -17.684 1.700 -12.560) 21.757 7.636 ( -7.769 14.204 15.743) 22.582 7.755 ( 2.807 6.885 -12.610) 14.639 8.693 ( -8.273 -4.461 18.706) 20.935 8.783 ( 9.717 -8.163 -18.197) 22.185 11.638 ( -1.496 -4.994 0.490) 5.236 11.700 ( -0.209 -5.836 -5.853) 8.268 12.619 ( 8.476 -1.284 3.209) 9.154 12.737 ( 3.753 -4.557 7.239) 9.341 13.062 ( 0.927 1.337 -5.579) 5.812 13.102 ( -4.907 3.970 -0.042) 6.312 13.971 ( 1.936 6.191 0.481) 6.504 14.173 ( -3.736 4.782 -3.044) 6.789 ======================= Grid point 870 (431/462) ======================= q-point: (-0.15 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 8.882 -1.686 3.595) 9.729 2.962 ( -4.658 2.542 5.051) 7.326 4.739 ( 20.655 3.126 10.257) 23.272 4.976 ( -12.081 9.093 26.713) 30.695 5.125 ( 11.450 3.729 -26.748) 29.334 5.513 ( -21.781 1.669 -10.899) 24.413 7.439 ( -12.373 15.730 24.763) 31.839 7.540 ( 6.209 12.669 -22.973) 26.959 8.829 ( -4.630 -8.440 13.927) 16.930 8.888 ( 6.629 -8.589 -14.207) 17.876 11.706 ( -1.344 -5.182 3.515) 6.404 11.744 ( 0.819 -5.655 -5.795) 8.138 12.743 ( 7.057 0.294 2.460) 7.480 12.863 ( 0.807 -3.175 3.013) 4.450 12.980 ( -4.841 4.175 2.792) 6.976 13.020 ( 0.660 0.839 -6.441) 6.529 13.922 ( 3.141 5.750 0.864) 6.609 14.036 ( -4.205 5.070 -2.361) 6.997 ======================= Grid point 871 (432/462) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 7.483 -0.048 -13.806) 15.703 2.906 ( -7.483 -0.048 13.806) 15.703 4.874 ( 14.233 7.695 -16.676) 23.235 4.874 ( -14.233 7.695 16.676) 23.235 5.189 ( -13.266 -1.000 0.139) 13.304 5.189 ( 13.266 -1.000 -0.139) 13.304 7.281 ( 12.111 12.345 -31.204) 35.675 7.281 ( -12.111 12.345 31.204) 35.675 8.977 ( 4.160 -7.315 -11.475) 14.230 8.977 ( -4.160 -7.315 11.475) 14.230 11.789 ( 1.106 -4.332 -4.692) 6.481 11.789 ( -1.106 -4.332 4.692) 6.481 12.816 ( -2.840 2.316 -3.094) 4.796 12.816 ( 2.840 2.316 3.094) 4.796 12.977 ( 0.444 -0.342 -6.738) 6.761 12.977 ( -0.444 -0.342 6.738) 6.761 13.907 ( -4.216 4.033 -1.333) 5.985 13.907 ( 4.216 4.033 1.333) 5.985 ======================= Grid point 875 (433/462) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 6.823 -0.000 -26.293) 27.164 2.661 ( -4.773 0.000 1.018) 4.881 4.131 ( -7.383 0.000 11.007) 13.253 4.560 ( 15.506 -0.000 -35.454) 38.697 5.366 ( -5.704 0.000 24.353) 25.012 5.833 ( -5.839 0.000 12.856) 14.120 7.137 ( 25.391 -0.000 -35.998) 44.052 7.860 ( 2.168 -0.000 16.949) 17.087 8.896 ( -1.858 0.000 -4.089) 4.492 9.056 ( -10.071 0.000 9.567) 13.891 11.733 ( -1.560 0.000 -4.771) 5.020 11.945 ( 2.092 -0.000 3.561) 4.130 12.534 ( -3.694 0.000 1.955) 4.180 12.712 ( -6.597 0.000 -2.777) 7.157 13.080 ( -2.670 0.000 6.639) 7.156 13.094 ( 8.658 -0.000 -3.500) 9.339 13.679 ( -3.164 0.000 2.558) 4.069 14.158 ( 5.912 -0.000 0.770) 5.962 ======================= Grid point 876 (434/462) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 13.211 -1.923 -16.709) 21.387 2.631 ( -0.672 -0.447 -1.485) 1.690 4.158 ( -4.503 -1.506 12.318) 13.202 4.562 ( 16.372 -7.302 -33.963) 38.403 5.441 ( -5.573 3.073 22.849) 23.719 5.890 ( -7.866 -8.214 12.045) 16.566 7.222 ( 22.509 -3.871 -33.122) 40.233 7.956 ( -2.478 -0.703 10.100) 10.423 8.813 ( -1.218 5.079 -4.294) 6.761 8.975 ( -11.047 2.143 10.138) 15.146 11.678 ( -1.750 -0.500 -5.158) 5.469 12.004 ( 3.864 0.424 3.448) 5.196 12.492 ( -3.413 2.906 2.985) 5.385 12.596 ( -5.058 2.842 -3.995) 7.044 13.088 ( -3.656 -0.114 6.362) 7.339 13.177 ( 7.989 -0.707 -3.797) 8.874 13.690 ( -2.437 -3.466 3.744) 5.654 14.239 ( 5.169 -1.417 -0.336) 5.370 ======================= Grid point 877 (435/462) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 16.867 -5.227 -6.330) 18.759 2.631 ( 3.331 0.450 -3.391) 4.774 4.198 ( -3.107 1.690 10.456) 11.038 4.686 ( 16.232 -13.592 -30.041) 36.752 5.472 ( -6.341 3.550 21.148) 22.362 6.031 ( -7.908 -14.129 10.625) 19.366 7.310 ( 16.023 -4.993 -27.664) 32.357 7.973 ( -6.546 -1.709 6.625) 9.469 8.680 ( 2.954 6.849 -10.694) 13.038 8.883 ( -11.933 3.058 13.961) 18.619 11.640 ( -1.659 -1.954 -4.456) 5.141 12.067 ( 4.473 1.458 2.891) 5.522 12.396 ( -4.725 7.418 3.719) 9.549 12.469 ( -0.536 5.205 -5.173) 7.358 13.087 ( -4.210 -0.651 6.122) 7.458 13.255 ( 6.935 -1.301 -4.179) 8.201 13.762 ( -1.561 -6.030 4.165) 7.493 14.312 ( 3.615 -2.098 -1.382) 4.402 ======================= Grid point 878 (436/462) ======================= q-point: ( 0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 6.687 1.367 -6.764) 9.609 2.835 ( 17.070 -7.025 2.770) 18.665 4.156 ( -3.790 8.078 7.891) 11.911 4.894 ( 14.369 -16.253 -24.962) 33.072 5.495 ( -6.133 1.989 18.831) 19.904 6.208 ( -8.634 -15.331 8.116) 19.377 7.370 ( 9.211 -6.271 -19.865) 22.776 7.930 ( -9.200 1.098 6.607) 11.380 8.590 ( 10.268 1.436 -19.865) 22.408 8.795 ( -13.631 3.215 18.571) 23.260 11.623 ( -2.348 -2.360 -3.007) 4.486 12.099 ( 2.622 3.220 1.319) 4.357 12.239 ( -0.943 9.958 -0.962) 10.048 12.386 ( 2.401 5.649 0.531) 6.161 13.092 ( -3.945 -1.330 5.518) 6.912 13.318 ( 5.521 -1.135 -4.670) 7.319 13.864 ( -0.987 -6.582 3.855) 7.691 14.363 ( 1.702 -2.324 -2.148) 3.593 ======================= Grid point 879 (437/462) ======================= q-point: ( 0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 8.804 2.959 -8.095) 12.321 3.181 ( 16.479 -7.956 6.990) 19.589 3.994 ( -5.637 13.621 6.299) 16.030 5.109 ( 9.681 -14.260 -17.813) 24.786 5.534 ( -4.308 -0.198 14.284) 14.921 6.314 ( -10.993 -10.477 2.957) 15.471 7.458 ( 4.511 -9.041 -8.602) 13.270 7.823 ( -6.330 3.584 2.419) 7.665 8.598 ( 11.332 -1.086 -19.409) 22.501 8.739 ( -12.869 -1.161 18.114) 22.250 11.592 ( -3.712 -0.711 -1.703) 4.145 11.991 ( -1.000 9.318 -6.214) 11.244 12.192 ( 5.154 3.489 5.941) 8.604 12.378 ( 5.702 4.298 1.735) 7.348 13.102 ( -3.271 -1.476 4.372) 5.656 13.349 ( 3.618 -0.041 -5.210) 6.344 13.965 ( -0.567 -5.507 3.382) 6.488 14.388 ( -0.002 -2.176 -2.686) 3.457 ======================= Grid point 880 (438/462) ======================= q-point: ( 0.54 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 10.087 4.358 -8.667) 13.995 3.550 ( 16.576 -7.966 9.249) 20.585 3.748 ( -7.604 15.978 6.489) 18.847 5.257 ( 3.561 -8.411 -8.478) 12.462 5.583 ( -2.027 -0.713 7.269) 7.580 6.264 ( -14.022 -4.977 -2.759) 15.132 7.578 ( -1.556 -4.664 6.306) 7.996 7.769 ( 2.543 -4.099 -8.198) 9.512 8.591 ( 1.689 1.887 -1.865) 3.145 8.766 ( -4.268 -5.261 3.172) 7.481 11.536 ( -3.158 0.111 -2.366) 3.948 11.811 ( -1.000 8.389 -5.057) 9.846 12.295 ( 6.749 -0.334 7.305) 9.951 12.419 ( 7.401 3.222 1.883) 8.289 13.111 ( -2.438 -1.120 2.750) 3.842 13.334 ( 1.377 1.174 -5.368) 5.665 14.045 ( -0.141 -3.297 2.966) 4.437 14.385 ( -1.205 -1.341 -3.174) 3.650 ======================= Grid point 881 (439/462) ======================= q-point: (-0.38 0.15 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 11.049 5.185 -7.488) 14.319 3.479 ( -9.540 13.704 6.664) 17.979 3.934 ( 18.296 -6.379 11.358) 22.460 5.314 ( 0.396 -1.942 -2.020) 2.830 5.579 ( -2.580 2.966 3.011) 4.952 6.091 ( -16.856 -2.762 -7.095) 18.495 7.651 ( 1.966 -2.862 3.289) 4.782 7.851 ( 0.262 -6.817 -1.685) 7.027 8.585 ( 1.464 0.574 -0.007) 1.572 8.780 ( -3.747 -1.038 1.018) 4.019 11.494 ( -0.664 -1.338 -4.623) 4.858 11.677 ( -2.035 4.443 -2.323) 5.411 12.450 ( 6.587 -2.022 7.896) 10.480 12.496 ( 8.061 1.420 2.374) 8.522 13.109 ( -1.545 -0.389 0.742) 1.757 13.279 ( -0.803 2.025 -4.831) 5.299 14.091 ( 0.338 -0.410 2.574) 2.628 14.350 ( -1.958 0.286 -3.583) 4.093 ======================= Grid point 882 (440/462) ======================= q-point: (-0.31 0.15 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 12.142 4.410 -4.193) 13.582 3.242 ( -10.464 9.389 6.607) 15.534 4.330 ( 20.583 -4.625 12.168) 24.354 5.298 ( -0.435 3.637 1.361) 3.908 5.481 ( -3.577 7.391 1.108) 8.285 5.839 ( -19.539 -2.108 -10.862) 22.455 7.757 ( 8.441 -3.898 -7.175) 11.744 7.890 ( -7.527 0.260 11.462) 13.715 8.614 ( 4.530 -2.021 -5.303) 7.261 8.723 ( -5.271 2.780 3.963) 7.157 11.499 ( 1.553 -3.593 -5.354) 6.633 11.606 ( -3.160 -0.106 -0.467) 3.196 12.595 ( 7.205 -0.225 4.684) 8.596 12.621 ( 5.402 -3.299 5.471) 8.366 13.093 ( -0.575 0.614 -1.446) 1.673 13.195 ( -2.632 2.707 -3.535) 5.172 14.101 ( 0.966 2.549 2.226) 3.520 14.279 ( -2.443 2.365 -3.669) 5.002 ======================= Grid point 883 (441/462) ======================= q-point: (-0.23 0.15 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 12.615 2.057 -1.039) 12.824 3.056 ( -10.811 4.680 4.737) 12.697 4.732 ( 22.985 -2.458 12.681) 26.366 5.229 ( -2.144 7.435 5.950) 9.760 5.323 ( -1.725 8.932 -3.354) 9.696 5.522 ( -21.444 -0.818 -13.831) 25.531 7.803 ( 10.032 5.016 -14.930) 18.674 7.824 ( -10.317 6.934 17.030) 21.084 8.667 ( -7.841 -2.844 14.698) 16.900 8.683 ( 7.689 -3.152 -15.041) 17.184 11.553 ( 1.929 -5.174 -3.112) 6.339 11.595 ( -2.753 -3.839 -0.133) 4.726 12.716 ( 6.050 -1.577 2.788) 6.846 12.756 ( 1.957 -3.885 4.609) 6.338 13.059 ( 0.660 1.798 -3.484) 3.975 13.096 ( -3.765 3.439 -1.029) 5.203 14.080 ( 1.877 4.804 2.064) 5.555 14.176 ( -2.800 4.350 -3.203) 6.084 ======================= Grid point 884 (442/462) ======================= q-point: (-0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 5.028 0.897 -12.167) 13.195 2.910 ( -5.028 0.897 12.167) 13.195 5.099 ( -13.823 4.515 -5.501) 15.547 5.099 ( 13.823 4.515 5.501) 15.547 5.192 ( 9.548 4.047 -21.564) 23.928 5.192 ( -9.548 4.047 21.564) 23.928 7.675 ( 9.952 13.297 -20.749) 26.578 7.675 ( -9.952 13.297 20.749) 26.578 8.750 ( 9.155 -7.388 -19.247) 22.557 8.750 ( -9.155 -7.388 19.247) 22.557 11.639 ( 2.783 -5.800 -5.901) 8.729 11.639 ( -2.783 -5.800 5.901) 8.729 12.815 ( -2.254 -2.489 -1.235) 3.577 12.815 ( 2.254 -2.489 1.235) 3.577 13.015 ( 2.366 3.014 -4.295) 5.756 13.015 ( -2.366 3.014 4.295) 5.756 14.051 ( -2.942 5.652 -2.255) 6.759 14.051 ( 2.942 5.652 2.255) 6.759 ======================= Grid point 890 (443/462) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 17.400 -0.000 -8.544) 19.385 2.639 ( 4.417 -0.000 -2.496) 5.074 4.205 ( -3.492 0.000 17.173) 17.524 4.472 ( 16.744 -0.000 -33.936) 37.842 5.558 ( -5.042 0.000 20.517) 21.128 5.795 ( -9.896 0.000 11.133) 14.896 7.243 ( 22.091 -0.000 -32.816) 39.559 7.933 ( -7.970 0.000 4.683) 9.244 8.820 ( -2.696 0.000 1.165) 2.937 8.909 ( -10.677 0.000 6.691) 12.600 11.609 ( -2.224 0.000 -5.315) 5.762 12.084 ( 5.218 -0.000 2.396) 5.742 12.509 ( -0.479 0.000 1.946) 2.004 12.540 ( -3.834 0.000 -2.038) 4.342 13.079 ( -4.887 0.000 6.277) 7.955 13.240 ( 7.589 -0.000 -4.557) 8.852 13.667 ( -2.245 0.000 5.088) 5.561 14.282 ( 4.624 -0.000 -2.266) 5.149 ======================= Grid point 891 (444/462) ======================= q-point: ( 0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 14.179 -0.041 -3.765) 14.670 2.713 ( 12.828 -1.724 -0.982) 12.981 4.283 ( -2.520 1.961 16.999) 17.297 4.509 ( 15.647 -9.025 -30.265) 35.246 5.586 ( -6.834 3.788 18.213) 19.818 5.826 ( -8.980 -9.799 9.715) 16.463 7.282 ( 18.100 -0.873 -29.514) 34.633 7.857 ( -10.980 -3.180 2.717) 11.750 8.736 ( -1.658 6.281 -2.804) 7.075 8.845 ( -10.121 -0.585 9.383) 13.814 11.563 ( -1.529 -1.417 -3.871) 4.396 12.153 ( 4.493 0.868 0.990) 4.682 12.459 ( -1.602 4.943 -0.323) 5.206 12.514 ( 1.956 2.434 0.234) 3.131 13.061 ( -5.678 -0.675 6.403) 8.585 13.295 ( 6.598 -0.345 -5.299) 8.469 13.708 ( -1.668 -3.676 5.711) 6.993 14.315 ( 3.207 -0.954 -3.877) 5.121 ======================= Grid point 892 (445/462) ======================= q-point: ( 0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 11.878 3.280 -5.404) 13.455 2.987 ( 16.845 -5.760 4.149) 18.280 4.295 ( -3.159 7.455 13.812) 16.010 4.664 ( 13.339 -15.001 -25.477) 32.435 5.570 ( -8.505 2.580 17.400) 19.538 5.950 ( -7.996 -13.821 6.813) 17.360 7.296 ( 12.370 -1.735 -23.338) 26.471 7.805 ( -11.967 -5.305 4.857) 13.962 8.617 ( 4.558 4.714 -11.937) 13.619 8.786 ( -11.693 1.638 13.752) 18.125 11.554 ( -0.815 -1.726 -1.584) 2.480 12.167 ( 1.357 3.051 -1.107) 3.518 12.362 ( 1.722 7.397 -0.740) 7.631 12.511 ( 4.746 4.487 1.607) 6.726 13.054 ( -5.507 -1.787 6.357) 8.599 13.335 ( 5.235 -0.667 -6.114) 8.077 13.797 ( -1.085 -5.710 5.473) 7.984 14.331 ( 1.302 -1.637 -4.758) 5.198 ======================= Grid point 893 (446/462) ======================= q-point: ( 0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 13.065 5.293 -5.971) 15.309 3.313 ( 14.982 -7.825 5.342) 17.727 4.191 ( -3.787 13.795 11.796) 18.542 4.869 ( 9.570 -16.991 -21.072) 28.711 5.557 ( -9.892 -0.215 16.523) 19.259 6.065 ( -7.728 -10.570 1.391) 13.167 7.342 ( 8.870 -6.701 -15.396) 18.990 7.760 ( -12.243 -2.442 8.469) 15.085 8.575 ( 11.663 -1.030 -21.232) 24.247 8.713 ( -13.947 2.082 18.516) 23.274 11.553 ( -0.839 0.253 0.418) 0.971 12.064 ( -1.237 8.110 -4.978) 9.596 12.334 ( 5.354 3.540 2.735) 6.977 12.532 ( 6.649 4.530 2.268) 8.359 13.062 ( -4.756 -2.283 5.581) 7.679 13.349 ( 3.371 -0.126 -7.093) 7.855 13.906 ( -0.552 -5.987 5.005) 7.823 14.329 ( -0.379 -2.239 -4.916) 5.416 ======================= Grid point 894 (447/462) ======================= q-point: ( 0.54 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 13.709 6.838 -6.014) 16.458 3.590 ( 5.003 -5.878 1.265) 7.822 4.050 ( 3.973 14.168 15.070) 21.062 5.056 ( 4.595 -15.391 -14.999) 21.977 5.567 ( -8.525 -2.304 12.563) 15.356 6.041 ( -9.863 -2.771 -3.926) 10.971 7.483 ( 5.610 -10.615 -6.163) 13.496 7.706 ( -7.408 -1.266 5.457) 9.288 8.607 ( 11.514 -1.564 -19.579) 22.768 8.667 ( -12.873 -2.392 17.665) 21.989 11.529 ( -0.454 2.690 1.093) 2.938 11.883 ( -1.638 9.215 -5.646) 10.931 12.415 ( 6.729 -0.062 4.570) 8.134 12.576 ( 6.953 3.799 2.690) 8.367 13.075 ( -3.731 -2.051 4.266) 6.027 13.320 ( 1.167 0.857 -7.594) 7.731 14.012 ( -0.005 -4.841 4.537) 6.635 14.316 ( -1.404 -2.337 -4.752) 5.479 ======================= Grid point 895 (448/462) ======================= q-point: (-0.38 0.23 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 14.259 7.459 -5.227) 16.919 3.502 ( -11.523 7.695 0.535) 13.866 4.242 ( 19.073 -0.428 16.305) 25.096 5.189 ( -0.102 -11.701 -9.318) 14.958 5.568 ( -5.473 -0.546 5.378) 7.692 5.863 ( -13.080 2.934 -4.889) 14.268 7.634 ( -1.910 -6.030 7.446) 9.770 7.727 ( 2.693 -7.475 -7.321) 10.804 8.612 ( -0.647 0.453 2.978) 3.081 8.701 ( -1.181 -4.560 -2.480) 5.323 11.495 ( 1.155 3.041 0.249) 3.262 11.708 ( -2.462 7.063 -4.223) 8.590 12.544 ( 6.228 -1.760 5.018) 8.189 12.632 ( 5.998 2.331 2.801) 7.018 13.085 ( -2.367 -1.191 2.828) 3.876 13.253 ( -0.820 1.500 -7.049) 7.253 14.098 ( 0.530 -2.615 4.070) 4.867 14.291 ( -1.825 -1.438 -4.535) 5.096 ======================= Grid point 896 (449/462) ======================= q-point: (-0.31 0.23 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 14.741 6.709 -3.706) 16.615 3.235 ( -14.144 8.109 2.581) 16.507 4.639 ( 21.433 -4.067 14.966) 26.456 5.229 ( -7.261 -8.076 -8.316) 13.679 5.514 ( -0.446 3.760 -4.130) 5.603 5.603 ( -14.035 6.935 1.023) 15.688 7.743 ( 2.053 -5.417 2.649) 6.370 7.816 ( -1.178 -6.757 -1.894) 7.116 8.631 ( 2.016 0.061 0.672) 2.126 8.700 ( -2.938 -0.495 -0.393) 3.005 11.487 ( 3.001 1.151 -1.112) 3.402 11.579 ( -3.573 3.097 -1.530) 4.970 12.669 ( 3.676 -2.252 4.225) 6.036 12.693 ( 3.924 0.112 1.574) 4.230 13.090 ( -0.520 0.269 1.774) 1.869 13.168 ( -2.034 1.818 -5.203) 5.875 14.152 ( 1.119 0.130 3.649) 3.820 14.245 ( -1.901 0.398 -4.150) 4.582 ======================= Grid point 897 (450/462) ======================= q-point: (-0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 0.711 5.069 -7.275) 8.895 2.988 ( -0.711 5.069 7.275) 8.895 5.063 ( -20.335 -4.367 -14.075) 25.113 5.063 ( 20.335 -4.367 14.075) 25.113 5.410 ( 9.103 8.120 -15.052) 19.374 5.410 ( -9.103 8.120 15.052) 19.374 7.845 ( 8.406 -1.893 -11.011) 13.982 7.845 ( -8.406 -1.893 11.011) 13.982 8.658 ( 6.554 0.393 -9.548) 11.587 8.658 ( -6.554 0.393 9.548) 11.588 11.522 ( 1.998 -1.577 -2.525) 3.585 11.522 ( -1.998 -1.577 2.525) 3.585 12.740 ( 0.815 -2.239 -1.414) 2.771 12.740 ( -0.815 -2.239 1.414) 2.771 13.092 ( -1.258 2.053 -1.757) 2.980 13.092 ( 1.258 2.053 1.757) 2.980 14.175 ( -1.791 2.683 -3.425) 4.705 14.175 ( 1.791 2.683 3.425) 4.705 ======================= Grid point 905 (451/462) ======================= q-point: ( 0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 13.658 -0.000 -3.741) 14.161 2.879 ( 16.078 -0.000 2.839) 16.327 4.411 ( 14.023 -0.000 -29.691) 32.836 4.420 ( -1.779 0.000 22.245) 22.316 5.636 ( -10.527 0.000 16.280) 19.387 5.708 ( -6.134 0.000 6.002) 8.582 7.297 ( 17.592 -0.000 -28.552) 33.537 7.692 ( -13.516 0.000 2.000) 13.663 8.745 ( -8.120 0.000 3.297) 8.764 8.775 ( -4.040 0.000 3.594) 5.407 11.525 ( 0.391 -0.000 -1.664) 1.709 12.205 ( 2.492 -0.000 -0.693) 2.586 12.483 ( 1.119 -0.000 -1.731) 2.061 12.578 ( 4.253 -0.000 1.620) 4.550 13.023 ( -6.786 0.000 6.661) 9.509 13.326 ( 5.491 -0.000 -6.426) 8.453 13.706 ( -1.448 0.000 6.902) 7.052 14.307 ( 2.090 -0.000 -6.025) 6.378 ======================= Grid point 906 (452/462) ======================= q-point: ( 0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 15.422 4.513 -3.033) 16.352 3.128 ( 13.909 -5.193 4.178) 15.423 4.407 ( 6.849 -2.890 -14.565) 16.352 4.541 ( 2.541 0.106 9.339) 9.679 5.579 ( -13.485 1.279 15.309) 20.441 5.751 ( -3.422 -8.800 2.490) 9.765 7.291 ( 13.058 1.682 -23.520) 26.954 7.594 ( -12.299 -6.512 3.195) 14.279 8.644 ( -1.843 3.794 -3.444) 5.446 8.752 ( -7.535 0.015 7.622) 10.718 11.545 ( 2.250 -0.445 1.009) 2.505 12.197 ( -0.291 1.881 -2.272) 2.964 12.466 ( 3.266 4.090 -1.464) 5.435 12.636 ( 5.943 2.256 1.522) 6.537 12.998 ( -6.757 -1.779 6.835) 9.774 13.338 ( 3.949 -0.338 -7.365) 8.364 13.765 ( -0.921 -3.244 7.091) 7.852 14.283 ( 0.516 -0.892 -7.169) 7.243 ======================= Grid point 907 (453/462) ======================= q-point: ( 0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 15.309 6.797 -2.701) 16.967 3.397 ( 10.560 -6.891 3.725) 13.148 4.404 ( -0.528 6.307 6.853) 9.329 4.637 ( 7.014 -8.805 -12.793) 17.041 5.512 ( -14.981 -1.120 17.604) 23.143 5.858 ( -2.174 -9.678 -3.170) 10.413 7.282 ( 9.508 -2.324 -16.458) 19.148 7.589 ( -11.673 -7.586 6.844) 15.513 8.570 ( 5.628 1.752 -12.070) 13.432 8.699 ( -9.976 1.563 11.778) 15.514 11.589 ( 2.779 1.284 3.073) 4.338 12.105 ( -2.409 5.610 -4.516) 7.594 12.460 ( 5.651 3.234 0.364) 6.521 12.682 ( 5.882 3.336 1.984) 7.047 13.003 ( -5.533 -2.901 6.436) 8.969 13.326 ( 2.055 -0.292 -8.361) 8.615 13.864 ( -0.282 -4.957 6.691) 8.332 14.249 ( -0.843 -1.998 -7.141) 7.463 ======================= Grid point 908 (454/462) ======================= q-point: ( 0.54 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( 15.075 8.323 -2.541) 17.406 3.569 ( 0.487 -2.703 0.914) 2.895 4.365 ( 4.039 8.056 12.793) 15.649 4.777 ( 4.064 -14.970 -15.588) 21.991 5.506 ( -11.433 -3.119 18.095) 21.631 5.870 ( -4.294 -3.561 -9.503) 11.019 7.378 ( 9.345 -8.411 -11.429) 16.991 7.596 ( -11.778 -5.594 10.413) 16.686 8.569 ( 10.947 -2.076 -18.821) 21.872 8.642 ( -11.794 1.244 16.390) 20.231 11.609 ( 2.575 4.146 4.056) 6.347 11.936 ( -3.018 8.065 -5.861) 10.417 12.524 ( 6.864 0.383 2.224) 7.226 12.712 ( 3.922 3.047 2.072) 5.381 13.030 ( -3.369 -2.605 5.987) 7.347 13.278 ( 0.049 0.286 -8.944) 8.949 13.981 ( 0.358 -5.135 6.092) 7.975 14.222 ( -1.539 -2.968 -6.433) 7.250 ======================= Grid point 909 (455/462) ======================= q-point: (-0.38 0.31 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 15.019 8.969 -2.180) 17.629 3.460 ( -11.363 6.824 -0.129) 13.255 4.531 ( 12.321 -2.878 13.940) 18.826 4.899 ( -2.511 -14.028 -12.683) 19.077 5.549 ( -5.456 -1.118 13.888) 14.963 5.739 ( -5.322 1.893 -11.439) 12.758 7.546 ( 6.105 -9.421 -5.765) 12.620 7.617 ( -6.710 -5.939 6.313) 10.961 8.611 ( 12.210 -2.301 -21.305) 24.663 8.620 ( -12.631 -2.201 20.407) 24.100 11.599 ( 2.780 5.849 4.006) 7.615 11.745 ( -3.174 7.824 -5.420) 10.033 12.627 ( 5.851 -0.814 2.725) 6.505 12.720 ( 0.803 1.551 0.927) 1.978 13.074 ( -0.785 -1.251 5.989) 6.168 13.201 ( -1.340 0.627 -8.363) 8.493 14.093 ( 0.907 -3.974 5.404) 6.769 14.203 ( -1.627 -3.048 -5.598) 6.578 ======================= Grid point 910 (456/462) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -9.855 8.637 -0.963) 13.139 3.185 ( 9.855 8.637 0.963) 13.139 4.877 ( -13.417 -8.796 -13.450) 20.935 4.877 ( 13.417 -8.796 13.450) 20.935 5.582 ( -2.330 3.750 -5.657) 7.176 5.582 ( 2.330 3.750 5.657) 7.176 7.687 ( 4.899 -7.467 -11.042) 14.201 7.687 ( -4.899 -7.467 11.042) 14.201 8.646 ( 10.080 -2.162 -18.723) 21.374 8.646 ( -10.080 -2.162 18.723) 21.374 11.581 ( -3.100 5.415 -3.205) 7.015 11.581 ( 3.100 5.415 3.205) 7.015 12.704 ( -0.006 -0.474 -3.063) 3.099 12.704 ( 0.006 -0.474 3.063) 3.099 13.125 ( -1.088 0.432 -5.965) 6.079 13.125 ( 1.088 0.432 5.965) 6.079 14.184 ( -1.389 -1.923 -4.734) 5.295 14.184 ( 1.389 -1.923 4.734) 5.295 ======================= Grid point 920 (457/462) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 17.200 -0.000 -2.311) 17.355 3.256 ( 9.453 -0.000 5.308) 10.841 4.327 ( 9.568 -0.000 -22.140) 24.119 4.685 ( -2.703 0.000 19.516) 19.702 5.502 ( -17.324 0.000 16.846) 24.164 5.674 ( 1.832 -0.000 -4.658) 5.005 7.311 ( 12.860 -0.000 -22.990) 26.342 7.411 ( -12.820 0.000 6.083) 14.190 8.623 ( -3.336 0.000 0.049) 3.337 8.717 ( -5.003 0.000 3.860) 6.319 11.604 ( 4.695 -0.000 3.483) 5.846 12.177 ( -2.018 0.000 -3.290) 3.860 12.529 ( 4.655 -0.000 -2.327) 5.204 12.731 ( 4.799 -0.000 1.876) 5.153 12.951 ( -6.092 0.000 7.014) 9.290 13.319 ( 2.134 -0.000 -8.244) 8.516 13.787 ( -0.421 0.000 8.034) 8.045 14.221 ( -0.507 0.000 -8.601) 8.616 ======================= Grid point 921 (458/462) ======================= q-point: ( 0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 13.592 5.873 -0.189) 14.807 3.443 ( 6.976 -5.006 3.199) 9.162 4.356 ( 8.813 -6.373 -15.205) 18.695 4.692 ( -5.491 5.760 9.234) 12.190 5.440 ( -14.743 -1.174 22.073) 26.570 5.702 ( 2.629 -5.966 -10.830) 12.641 7.270 ( 5.962 0.786 -11.752) 13.202 7.396 ( -7.018 -7.283 2.387) 10.392 8.583 ( 1.920 1.595 -4.643) 5.271 8.676 ( -6.629 0.728 6.162) 9.080 11.690 ( 5.366 1.478 5.048) 7.514 12.096 ( -3.604 2.984 -4.670) 6.610 12.562 ( 6.053 1.762 -1.720) 6.534 12.771 ( 0.152 0.769 2.337) 2.465 12.963 ( -1.610 -1.581 6.928) 7.286 13.275 ( 0.159 -0.239 -8.834) 8.838 13.862 ( 0.240 -2.630 8.080) 8.501 14.157 ( -1.295 -1.345 -8.702) 8.900 ======================= Grid point 922 (459/462) ======================= q-point: ( 0.54 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 845 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 12.164 6.440 -0.128) 13.764 3.543 ( -1.882 -0.848 1.082) 2.331 4.476 ( 5.598 -5.598 -2.650) 8.348 4.604 ( -3.372 -1.275 -1.728) 3.998 5.488 ( -7.865 -2.364 23.020) 24.441 5.699 ( 0.259 -4.080 -16.491) 16.990 7.320 ( 8.935 -5.555 -10.048) 14.549 7.430 ( -10.032 -7.318 7.910) 14.723 8.571 ( 7.588 0.664 -10.958) 13.345 8.625 ( -8.764 1.049 10.437) 13.669 11.750 ( 4.717 4.333 5.675) 8.558 11.947 ( -4.305 5.817 -5.852) 9.306 12.621 ( 6.808 0.324 0.010) 6.815 12.754 ( -3.292 0.428 1.171) 3.521 13.036 ( 1.288 -1.160 7.763) 7.955 13.206 ( -1.511 -0.132 -9.119) 9.244 13.971 ( 0.865 -4.012 7.550) 8.593 14.111 ( -1.542 -2.962 -7.855) 8.535 ======================= Grid point 923 (460/462) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( -11.544 6.775 0.075) 13.385 3.415 ( 11.544 6.775 -0.075) 13.385 4.625 ( -1.376 -7.987 -11.444) 14.023 4.625 ( 1.376 -7.987 11.444) 14.023 5.610 ( 2.001 -1.328 -19.660) 19.806 5.610 ( -2.001 -1.328 19.660) 19.806 7.471 ( 10.551 -7.912 -11.366) 17.410 7.471 ( -10.551 -7.912 11.366) 17.410 8.592 ( 13.720 -0.664 -22.088) 26.011 8.592 ( -13.720 -0.664 22.088) 26.011 11.765 ( -3.860 6.768 -5.841) 9.738 11.765 ( 3.860 6.768 5.841) 9.738 12.701 ( -0.671 -0.008 -4.032) 4.087 12.701 ( 0.671 -0.008 4.032) 4.087 13.124 ( -1.739 -0.334 -8.572) 8.753 13.124 ( 1.739 -0.334 8.572) 8.753 14.092 ( -1.320 -4.063 -6.672) 7.922 14.092 ( 1.320 -4.063 6.672) 7.922 ======================= Grid point 935 (461/462) ======================= q-point: ( 0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( 2.491 -0.000 5.418) 5.963 3.482 ( 8.629 -0.000 -3.051) 9.153 4.358 ( 14.014 -0.000 -10.922) 17.767 4.653 ( -14.500 0.000 5.228) 15.414 5.455 ( -10.087 0.000 26.897) 28.726 5.612 ( 5.784 -0.000 -19.017) 19.877 7.273 ( -9.020 0.000 12.436) 15.363 7.283 ( 8.372 -0.000 -17.602) 19.491 8.594 ( 2.269 -0.000 -2.560) 3.421 8.645 ( -4.951 0.000 3.661) 6.157 11.813 ( 6.140 -0.000 5.919) 8.528 12.031 ( -4.779 0.000 -5.311) 7.145 12.633 ( 6.763 -0.000 -3.288) 7.520 12.749 ( -6.101 0.000 3.893) 7.238 13.021 ( 3.280 -0.000 6.848) 7.593 13.202 ( -1.777 0.000 -8.586) 8.768 13.910 ( 0.836 -0.000 8.762) 8.802 14.066 ( -1.490 0.000 -9.176) 9.296 ======================= Grid point 936 (462/462) ======================= q-point: ( 0.54 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.31e-04 4.31e-04 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 0.663 0.856 -3.491) 3.655 3.514 ( -0.663 0.856 3.491) 3.655 4.500 ( 6.265 -1.313 -5.627) 8.523 4.500 ( -6.265 -1.313 5.627) 8.523 5.550 ( 6.117 -1.951 -24.261) 25.096 5.550 ( -6.117 -1.951 24.261) 25.096 7.294 ( 7.825 -3.818 -13.328) 15.920 7.294 ( -7.825 -3.818 13.328) 15.920 8.606 ( 6.143 0.881 -8.357) 10.409 8.606 ( -6.143 0.881 8.357) 10.409 11.907 ( -5.438 2.919 -5.944) 8.569 11.907 ( 5.438 2.919 5.944) 8.569 12.696 ( 2.357 -0.264 -3.318) 4.079 12.696 ( -2.357 -0.264 3.318) 4.079 13.115 ( -2.952 -0.192 -8.157) 8.676 13.115 ( 2.952 -0.192 8.157) 8.676 13.999 ( -1.306 -1.999 -8.680) 9.002 13.999 ( 1.306 -1.999 8.680) 9.002 =================== 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 3/30420 10.0 1920.022 2158.357 1005.916 0.000 -334.419 -0.000 3/30420 20.0 942.795 1329.456 1095.381 0.000 -347.522 -0.000 3/30420 30.0 410.893 695.074 615.616 0.000 -237.747 -0.000 3/30420 40.0 236.664 434.628 394.533 0.000 -161.100 -0.000 3/30420 50.0 163.635 314.941 287.427 0.000 -119.240 -0.000 3/30420 60.0 125.080 247.417 225.852 0.000 -94.029 -0.000 3/30420 70.0 101.026 203.008 185.115 0.000 -76.936 -0.000 3/30420 80.0 84.394 171.078 155.799 0.000 -64.468 -0.000 3/30420 90.0 72.185 146.985 133.721 0.000 -55.023 -0.000 3/30420 100.0 62.879 128.276 116.636 0.000 -47.704 -0.000 3/30420 110.0 55.596 113.451 103.144 0.000 -41.934 -0.000 3/30420 120.0 49.773 101.505 92.304 0.000 -37.314 -0.000 3/30420 130.0 45.031 91.733 83.457 0.000 -33.559 -0.000 3/30420 140.0 41.109 83.630 76.130 0.000 -30.463 -0.000 3/30420 150.0 37.819 76.823 69.982 0.000 -27.877 -0.000 3/30420 160.0 35.022 71.040 64.760 0.000 -25.690 -0.000 3/30420 170.0 32.620 66.073 60.274 0.000 -23.821 -0.000 3/30420 180.0 30.534 61.766 56.383 0.000 -22.207 -0.000 3/30420 190.0 28.707 57.998 52.977 0.000 -20.800 -0.000 3/30420 200.0 27.093 54.675 49.971 0.000 -19.564 -0.000 3/30420 210.0 25.657 51.723 47.299 0.000 -18.470 -0.000 3/30420 220.0 24.371 49.083 44.908 0.000 -17.494 -0.000 3/30420 230.0 23.213 46.709 42.756 0.000 -16.620 -0.000 3/30420 240.0 22.164 44.562 40.808 0.000 -15.831 -0.000 3/30420 250.0 21.209 42.610 39.036 0.000 -15.116 -0.000 3/30420 260.0 20.335 40.828 37.417 0.000 -14.464 -0.000 3/30420 270.0 19.534 39.194 35.931 0.000 -13.869 -0.000 3/30420 280.0 18.795 37.691 34.563 0.000 -13.322 -0.000 3/30420 290.0 18.112 36.302 33.299 0.000 -12.818 -0.000 3/30420 300.0 17.478 35.015 32.127 0.000 -12.351 -0.000 3/30420 310.0 16.889 33.820 31.037 0.000 -11.919 -0.000 3/30420 320.0 16.339 32.706 30.021 0.000 -11.517 -0.000 3/30420 330.0 15.825 31.665 29.072 0.000 -11.142 -0.000 3/30420 340.0 15.343 30.690 28.182 0.000 -10.792 -0.000 3/30420 350.0 14.890 29.775 27.347 0.000 -10.463 -0.000 3/30420 360.0 14.464 28.915 26.561 0.000 -10.155 -0.000 3/30420 370.0 14.062 28.104 25.820 0.000 -9.864 -0.000 3/30420 380.0 13.683 27.339 25.120 0.000 -9.591 -0.000 3/30420 390.0 13.324 26.615 24.458 0.000 -9.332 -0.000 3/30420 400.0 12.983 25.930 23.831 0.000 -9.088 -0.000 3/30420 410.0 12.660 25.280 23.236 0.000 -8.856 -0.000 3/30420 420.0 12.353 24.662 22.671 0.000 -8.636 -0.000 3/30420 430.0 12.061 24.075 22.133 0.000 -8.427 -0.000 3/30420 440.0 11.783 23.515 21.620 0.000 -8.228 -0.000 3/30420 450.0 11.517 22.982 21.131 0.000 -8.039 -0.000 3/30420 460.0 11.263 22.472 20.664 0.000 -7.858 -0.000 3/30420 470.0 11.021 21.985 20.218 0.000 -7.685 -0.000 3/30420 480.0 10.788 21.519 19.791 0.000 -7.520 -0.000 3/30420 490.0 10.566 21.073 19.381 0.000 -7.362 -0.000 3/30420 500.0 10.353 20.645 18.989 0.000 -7.211 -0.000 3/30420 510.0 10.148 20.235 18.613 0.000 -7.066 -0.000 3/30420 520.0 9.951 19.840 18.251 0.000 -6.927 -0.000 3/30420 530.0 9.762 19.462 17.903 0.000 -6.793 -0.000 3/30420 540.0 9.580 19.097 17.569 0.000 -6.665 -0.000 3/30420 550.0 9.405 18.746 17.247 0.000 -6.541 -0.000 3/30420 560.0 9.236 18.408 16.936 0.000 -6.422 -0.000 3/30420 570.0 9.073 18.082 16.637 0.000 -6.307 -0.000 3/30420 580.0 8.916 17.768 16.349 0.000 -6.196 -0.000 3/30420 590.0 8.764 17.464 16.070 0.000 -6.089 -0.000 3/30420 600.0 8.617 17.171 15.801 0.000 -5.986 -0.000 3/30420 610.0 8.476 16.888 15.540 0.000 -5.887 -0.000 3/30420 620.0 8.338 16.614 15.288 0.000 -5.790 -0.000 3/30420 630.0 8.206 16.348 15.045 0.000 -5.697 -0.000 3/30420 640.0 8.077 16.092 14.809 0.000 -5.607 -0.000 3/30420 650.0 7.953 15.843 14.580 0.000 -5.520 -0.000 3/30420 660.0 7.832 15.602 14.359 0.000 -5.435 -0.000 3/30420 670.0 7.715 15.368 14.144 0.000 -5.353 -0.000 3/30420 680.0 7.601 15.141 13.935 0.000 -5.273 -0.000 3/30420 690.0 7.491 14.921 13.733 0.000 -5.196 -0.000 3/30420 700.0 7.384 14.707 13.537 0.000 -5.121 -0.000 3/30420 710.0 7.280 14.499 13.346 0.000 -5.048 -0.000 3/30420 720.0 7.179 14.297 13.160 0.000 -4.978 -0.000 3/30420 730.0 7.081 14.101 12.980 0.000 -4.909 -0.000 3/30420 740.0 6.985 13.910 12.804 0.000 -4.842 -0.000 3/30420 750.0 6.892 13.724 12.633 0.000 -4.777 -0.000 3/30420 760.0 6.801 13.544 12.467 0.000 -4.714 -0.000 3/30420 770.0 6.713 13.368 12.305 0.000 -4.652 -0.000 3/30420 780.0 6.627 13.196 12.147 0.000 -4.592 -0.000 3/30420 790.0 6.543 13.029 11.994 0.000 -4.534 -0.000 3/30420 800.0 6.462 12.866 11.844 0.000 -4.477 -0.000 3/30420 810.0 6.382 12.707 11.698 0.000 -4.421 -0.000 3/30420 820.0 6.304 12.552 11.555 0.000 -4.367 -0.000 3/30420 830.0 6.228 12.401 11.416 0.000 -4.314 -0.000 3/30420 840.0 6.154 12.253 11.280 0.000 -4.263 -0.000 3/30420 850.0 6.082 12.109 11.148 0.000 -4.212 -0.000 3/30420 860.0 6.011 11.968 11.018 0.000 -4.163 -0.000 3/30420 870.0 5.943 11.831 10.892 0.000 -4.115 -0.000 3/30420 880.0 5.875 11.697 10.768 0.000 -4.068 -0.000 3/30420 890.0 5.809 11.565 10.647 0.000 -4.022 -0.000 3/30420 900.0 5.745 11.437 10.529 0.000 -3.977 -0.000 3/30420 910.0 5.682 11.311 10.414 0.000 -3.934 -0.000 3/30420 920.0 5.620 11.189 10.301 0.000 -3.891 -0.000 3/30420 930.0 5.560 11.068 10.190 0.000 -3.849 -0.000 3/30420 940.0 5.501 10.951 10.082 0.000 -3.808 -0.000 3/30420 950.0 5.443 10.836 9.976 0.000 -3.768 -0.000 3/30420 960.0 5.387 10.723 9.873 0.000 -3.728 -0.000 3/30420 970.0 5.331 10.613 9.771 0.000 -3.690 -0.000 3/30420 980.0 5.277 10.505 9.672 0.000 -3.652 -0.000 3/30420 990.0 5.224 10.399 9.574 0.000 -3.615 -0.000 3/30420 1000.0 5.172 10.295 9.479 0.000 -3.579 -0.000 3/30420 Thermal conductivity related properties were written into "kappa-m131310.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:35:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|