----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:55:49]------------------------- 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 3.369741305014913 -2.920501114999999 0.000000000000000 b 3.369741305014913 2.920501114999999 0.000000000000000 c -3.101703144326966 0.000000000000000 4.966145992437067 Atomic positions (fractional): *1 P 0.06831300955618 0.31341274422619 0.33564651691056 30.974 2 P 0.68658725577381 0.93168699044382 0.16435348308944 30.974 3 P 0.31341274422619 0.06831300955618 0.83564651691056 30.974 4 P 0.93168699044382 0.68658725577381 0.66435348308944 30.974 *5 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 6 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.739482610029826 0.000000000000000 0.000000000000000 b 0.000000000000000 5.841002229999999 0.000000000000000 c -3.101703144326966 0.000000000000000 4.966145992437067 Atomic positions (fractional): *1 P 0.19086287689118 0.12254986733501 0.33564651691056 30.974 > 1 2 P 0.30913712310882 0.62254986733501 0.16435348308944 30.974 > 2 3 P 0.19086287689118 0.87745013266499 0.83564651691056 30.974 > 3 4 P 0.30913712310882 0.37745013266499 0.66435348308944 30.974 > 4 5 P 0.69086287689118 0.62254986733501 0.33564651691056 30.974 > 1 6 P 0.80913712310882 0.12254986733501 0.16435348308944 30.974 > 2 7 P 0.69086287689118 0.37745013266499 0.83564651691056 30.974 > 3 8 P 0.80913712310882 0.87745013266499 0.66435348308944 30.974 > 4 *9 Pd 0.25000000000000 0.75000000000000 0.50000000000000 106.420 > 5 10 Pd 0.75000000000000 0.75000000000000 0.00000000000000 106.420 > 6 11 Pd 0.75000000000000 0.25000000000000 0.50000000000000 106.420 > 5 12 Pd 0.25000000000000 0.25000000000000 0.00000000000000 106.420 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.478965220059653 0.000000000000000 0.000000000000000 b 0.000000000000000 17.523006689999995 0.000000000000000 c -6.203406288653932 0.000000000000000 9.932291984874134 Atomic positions (fractional): *1 P 0.09543143844559 0.04084995577834 0.16782325845528 30.974 > 1 2 P 0.59543143844559 0.04084995577834 0.16782325845528 30.974 > 1 3 P 0.09543143844559 0.37418328911167 0.16782325845528 30.974 > 1 4 P 0.59543143844559 0.37418328911167 0.16782325845528 30.974 > 1 5 P 0.09543143844559 0.70751662244500 0.16782325845528 30.974 > 1 6 P 0.59543143844559 0.70751662244500 0.16782325845528 30.974 > 1 7 P 0.09543143844559 0.04084995577834 0.66782325845528 30.974 > 1 8 P 0.59543143844559 0.04084995577834 0.66782325845528 30.974 > 1 9 P 0.09543143844559 0.37418328911167 0.66782325845528 30.974 > 1 10 P 0.59543143844559 0.37418328911167 0.66782325845528 30.974 > 1 11 P 0.09543143844559 0.70751662244500 0.66782325845528 30.974 > 1 12 P 0.59543143844559 0.70751662244500 0.66782325845528 30.974 > 1 13 P 0.15456856155441 0.20751662244500 0.08217674154472 30.974 > 2 14 P 0.65456856155441 0.20751662244500 0.08217674154472 30.974 > 2 15 P 0.15456856155441 0.54084995577834 0.08217674154472 30.974 > 2 16 P 0.65456856155441 0.54084995577834 0.08217674154472 30.974 > 2 17 P 0.15456856155441 0.87418328911167 0.08217674154472 30.974 > 2 18 P 0.65456856155441 0.87418328911167 0.08217674154472 30.974 > 2 19 P 0.15456856155441 0.20751662244500 0.58217674154472 30.974 > 2 20 P 0.65456856155441 0.20751662244500 0.58217674154472 30.974 > 2 21 P 0.15456856155441 0.54084995577834 0.58217674154472 30.974 > 2 22 P 0.65456856155441 0.54084995577834 0.58217674154472 30.974 > 2 23 P 0.15456856155441 0.87418328911167 0.58217674154472 30.974 > 2 24 P 0.65456856155441 0.87418328911167 0.58217674154472 30.974 > 2 25 P 0.09543143844559 0.29248337755500 0.41782325845528 30.974 > 3 26 P 0.59543143844559 0.29248337755500 0.41782325845528 30.974 > 3 27 P 0.09543143844559 0.62581671088833 0.41782325845528 30.974 > 3 28 P 0.59543143844559 0.62581671088833 0.41782325845528 30.974 > 3 29 P 0.09543143844559 0.95915004422166 0.41782325845528 30.974 > 3 30 P 0.59543143844559 0.95915004422166 0.41782325845528 30.974 > 3 31 P 0.09543143844559 0.29248337755500 0.91782325845528 30.974 > 3 32 P 0.59543143844559 0.29248337755500 0.91782325845528 30.974 > 3 33 P 0.09543143844559 0.62581671088833 0.91782325845528 30.974 > 3 34 P 0.59543143844559 0.62581671088833 0.91782325845528 30.974 > 3 35 P 0.09543143844559 0.95915004422166 0.91782325845528 30.974 > 3 36 P 0.59543143844559 0.95915004422166 0.91782325845528 30.974 > 3 37 P 0.15456856155441 0.12581671088833 0.33217674154472 30.974 > 4 38 P 0.65456856155441 0.12581671088833 0.33217674154472 30.974 > 4 39 P 0.15456856155441 0.45915004422166 0.33217674154472 30.974 > 4 40 P 0.65456856155441 0.45915004422166 0.33217674154472 30.974 > 4 41 P 0.15456856155441 0.79248337755500 0.33217674154472 30.974 > 4 42 P 0.65456856155441 0.79248337755500 0.33217674154472 30.974 > 4 43 P 0.15456856155441 0.12581671088833 0.83217674154472 30.974 > 4 44 P 0.65456856155441 0.12581671088833 0.83217674154472 30.974 > 4 45 P 0.15456856155441 0.45915004422166 0.83217674154472 30.974 > 4 46 P 0.65456856155441 0.45915004422166 0.83217674154472 30.974 > 4 47 P 0.15456856155441 0.79248337755500 0.83217674154472 30.974 > 4 48 P 0.65456856155441 0.79248337755500 0.83217674154472 30.974 > 4 49 P 0.34543143844559 0.20751662244500 0.16782325845528 30.974 > 1 50 P 0.84543143844559 0.20751662244500 0.16782325845528 30.974 > 1 51 P 0.34543143844559 0.54084995577834 0.16782325845528 30.974 > 1 52 P 0.84543143844559 0.54084995577834 0.16782325845528 30.974 > 1 53 P 0.34543143844559 0.87418328911167 0.16782325845528 30.974 > 1 54 P 0.84543143844559 0.87418328911167 0.16782325845528 30.974 > 1 55 P 0.34543143844559 0.20751662244500 0.66782325845528 30.974 > 1 56 P 0.84543143844559 0.20751662244500 0.66782325845528 30.974 > 1 57 P 0.34543143844559 0.54084995577834 0.66782325845528 30.974 > 1 58 P 0.84543143844559 0.54084995577834 0.66782325845528 30.974 > 1 59 P 0.34543143844559 0.87418328911167 0.66782325845528 30.974 > 1 60 P 0.84543143844559 0.87418328911167 0.66782325845528 30.974 > 1 61 P 0.40456856155441 0.04084995577834 0.08217674154472 30.974 > 2 62 P 0.90456856155441 0.04084995577834 0.08217674154472 30.974 > 2 63 P 0.40456856155441 0.37418328911167 0.08217674154472 30.974 > 2 64 P 0.90456856155441 0.37418328911167 0.08217674154472 30.974 > 2 65 P 0.40456856155441 0.70751662244500 0.08217674154472 30.974 > 2 66 P 0.90456856155441 0.70751662244500 0.08217674154472 30.974 > 2 67 P 0.40456856155441 0.04084995577834 0.58217674154472 30.974 > 2 68 P 0.90456856155441 0.04084995577834 0.58217674154472 30.974 > 2 69 P 0.40456856155441 0.37418328911167 0.58217674154472 30.974 > 2 70 P 0.90456856155441 0.37418328911167 0.58217674154472 30.974 > 2 71 P 0.40456856155441 0.70751662244500 0.58217674154472 30.974 > 2 72 P 0.90456856155441 0.70751662244500 0.58217674154472 30.974 > 2 73 P 0.34543143844559 0.12581671088833 0.41782325845528 30.974 > 3 74 P 0.84543143844559 0.12581671088833 0.41782325845528 30.974 > 3 75 P 0.34543143844559 0.45915004422166 0.41782325845528 30.974 > 3 76 P 0.84543143844559 0.45915004422166 0.41782325845528 30.974 > 3 77 P 0.34543143844559 0.79248337755500 0.41782325845528 30.974 > 3 78 P 0.84543143844559 0.79248337755500 0.41782325845528 30.974 > 3 79 P 0.34543143844559 0.12581671088833 0.91782325845528 30.974 > 3 80 P 0.84543143844559 0.12581671088833 0.91782325845528 30.974 > 3 81 P 0.34543143844559 0.45915004422166 0.91782325845528 30.974 > 3 82 P 0.84543143844559 0.45915004422166 0.91782325845528 30.974 > 3 83 P 0.34543143844559 0.79248337755500 0.91782325845528 30.974 > 3 84 P 0.84543143844559 0.79248337755500 0.91782325845528 30.974 > 3 85 P 0.40456856155441 0.29248337755500 0.33217674154472 30.974 > 4 86 P 0.90456856155441 0.29248337755500 0.33217674154472 30.974 > 4 87 P 0.40456856155441 0.62581671088833 0.33217674154472 30.974 > 4 88 P 0.90456856155441 0.62581671088833 0.33217674154472 30.974 > 4 89 P 0.40456856155441 0.95915004422166 0.33217674154472 30.974 > 4 90 P 0.90456856155441 0.95915004422166 0.33217674154472 30.974 > 4 91 P 0.40456856155441 0.29248337755500 0.83217674154472 30.974 > 4 92 P 0.90456856155441 0.29248337755500 0.83217674154472 30.974 > 4 93 P 0.40456856155441 0.62581671088833 0.83217674154472 30.974 > 4 94 P 0.90456856155441 0.62581671088833 0.83217674154472 30.974 > 4 95 P 0.40456856155441 0.95915004422166 0.83217674154472 30.974 > 4 96 P 0.90456856155441 0.95915004422166 0.83217674154472 30.974 > 4 *97 Pd 0.12500000000000 0.25000000000000 0.25000000000000 106.420 > 5 98 Pd 0.62500000000000 0.25000000000000 0.25000000000000 106.420 > 5 99 Pd 0.12500000000000 0.58333333333333 0.25000000000000 106.420 > 5 100 Pd 0.62500000000000 0.58333333333333 0.25000000000000 106.420 > 5 101 Pd 0.12500000000000 0.91666666666667 0.25000000000000 106.420 > 5 102 Pd 0.62500000000000 0.91666666666667 0.25000000000000 106.420 > 5 103 Pd 0.12500000000000 0.25000000000000 0.75000000000000 106.420 > 5 104 Pd 0.62500000000000 0.25000000000000 0.75000000000000 106.420 > 5 105 Pd 0.12500000000000 0.58333333333333 0.75000000000000 106.420 > 5 106 Pd 0.62500000000000 0.58333333333333 0.75000000000000 106.420 > 5 107 Pd 0.12500000000000 0.91666666666667 0.75000000000000 106.420 > 5 108 Pd 0.62500000000000 0.91666666666667 0.75000000000000 106.420 > 5 109 Pd 0.37500000000000 0.25000000000000 0.00000000000000 106.420 > 6 110 Pd 0.87500000000000 0.25000000000000 0.00000000000000 106.420 > 6 111 Pd 0.37500000000000 0.58333333333333 0.00000000000000 106.420 > 6 112 Pd 0.87500000000000 0.58333333333333 0.00000000000000 106.420 > 6 113 Pd 0.37500000000000 0.91666666666667 0.00000000000000 106.420 > 6 114 Pd 0.87500000000000 0.91666666666667 0.00000000000000 106.420 > 6 115 Pd 0.37500000000000 0.25000000000000 0.50000000000000 106.420 > 6 116 Pd 0.87500000000000 0.25000000000000 0.50000000000000 106.420 > 6 117 Pd 0.37500000000000 0.58333333333333 0.50000000000000 106.420 > 6 118 Pd 0.87500000000000 0.58333333333333 0.50000000000000 106.420 > 6 119 Pd 0.37500000000000 0.91666666666667 0.50000000000000 106.420 > 6 120 Pd 0.87500000000000 0.91666666666667 0.50000000000000 106.420 > 6 121 Pd 0.37500000000000 0.08333333333333 0.25000000000000 106.420 > 5 122 Pd 0.87500000000000 0.08333333333333 0.25000000000000 106.420 > 5 123 Pd 0.37500000000000 0.41666666666667 0.25000000000000 106.420 > 5 124 Pd 0.87500000000000 0.41666666666667 0.25000000000000 106.420 > 5 125 Pd 0.37500000000000 0.75000000000000 0.25000000000000 106.420 > 5 126 Pd 0.87500000000000 0.75000000000000 0.25000000000000 106.420 > 5 127 Pd 0.37500000000000 0.08333333333333 0.75000000000000 106.420 > 5 128 Pd 0.87500000000000 0.08333333333333 0.75000000000000 106.420 > 5 129 Pd 0.37500000000000 0.41666666666667 0.75000000000000 106.420 > 5 130 Pd 0.87500000000000 0.41666666666667 0.75000000000000 106.420 > 5 131 Pd 0.37500000000000 0.75000000000000 0.75000000000000 106.420 > 5 132 Pd 0.87500000000000 0.75000000000000 0.75000000000000 106.420 > 5 133 Pd 0.12500000000000 0.08333333333333 0.00000000000000 106.420 > 6 134 Pd 0.62500000000000 0.08333333333333 0.00000000000000 106.420 > 6 135 Pd 0.12500000000000 0.41666666666667 0.00000000000000 106.420 > 6 136 Pd 0.62500000000000 0.41666666666667 0.00000000000000 106.420 > 6 137 Pd 0.12500000000000 0.75000000000000 0.00000000000000 106.420 > 6 138 Pd 0.62500000000000 0.75000000000000 0.00000000000000 106.420 > 6 139 Pd 0.12500000000000 0.08333333333333 0.50000000000000 106.420 > 6 140 Pd 0.62500000000000 0.08333333333333 0.50000000000000 106.420 > 6 141 Pd 0.12500000000000 0.41666666666667 0.50000000000000 106.420 > 6 142 Pd 0.62500000000000 0.41666666666667 0.50000000000000 106.420 > 6 143 Pd 0.12500000000000 0.75000000000000 0.50000000000000 106.420 > 6 144 Pd 0.62500000000000 0.75000000000000 0.50000000000000 106.420 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 26.1365047 0.0000000 2.9103202 0.0000000 22.3548370 0.0000000 2.9103060 0.0000000 21.3705602 -------------------------- Born effective charges -------------------------- 1 P 0.3857014 -0.2372165 -0.3966088 -0.1372903 1.1513942 0.6039300 -0.6548893 0.7071117 0.8874199 2 P 0.3857014 0.2372165 -0.3966088 0.1372903 1.1513942 -0.6039300 -0.6548893 -0.7071117 0.8874199 3 P 0.3857014 0.2372165 -0.3966088 0.1372903 1.1513942 -0.6039300 -0.6548893 -0.7071117 0.8874199 4 P 0.3857014 -0.2372165 -0.3966088 -0.1372903 1.1513942 0.6039300 -0.6548893 0.7071117 0.8874199 5 Pd -0.7714028 -0.0300786 0.7932176 -0.3463152 -2.3027884 -0.5843856 1.3097785 0.1035115 -1.7748399 6 Pd -0.7714028 0.0300786 0.7932176 0.3463152 -2.3027884 0.5843856 1.3097785 -0.1035115 -1.7748399 ---------------------------------------------------------------------------- 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): 0.008 Solver_block: 100 / 240 - Time: 1.759 Solver_block: 200 / 240 - Time: 1.661 Solver_block: 240 / 240 - Time: 0.722 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.172 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:56:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:56:06]------------------------- 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 3.369741305014913 -2.920501114999999 0.000000000000000 b 3.369741305014913 2.920501114999999 0.000000000000000 c -3.101703144326966 0.000000000000000 4.966145992437067 Atomic positions (fractional): 1 P 0.06831300955618 0.31341274422619 0.33564651691056 30.974 2 P 0.68658725577381 0.93168699044382 0.16435348308944 30.974 3 P 0.31341274422619 0.06831300955618 0.83564651691056 30.974 4 P 0.93168699044382 0.68658725577381 0.66435348308944 30.974 5 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 6 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.478965220059653 0.000000000000000 0.000000000000000 b 0.000000000000000 17.523006689999995 0.000000000000000 c -6.203406288653932 0.000000000000000 9.932291984874134 Atomic positions (fractional): 1 P 0.09543143844559 0.04084995577834 0.16782325845528 30.974 > 1 2 P 0.59543143844559 0.04084995577834 0.16782325845528 30.974 > 1 3 P 0.09543143844559 0.37418328911167 0.16782325845528 30.974 > 1 4 P 0.59543143844559 0.37418328911167 0.16782325845528 30.974 > 1 5 P 0.09543143844559 0.70751662244500 0.16782325845528 30.974 > 1 6 P 0.59543143844559 0.70751662244500 0.16782325845528 30.974 > 1 7 P 0.09543143844559 0.04084995577834 0.66782325845528 30.974 > 1 8 P 0.59543143844559 0.04084995577834 0.66782325845528 30.974 > 1 9 P 0.09543143844559 0.37418328911167 0.66782325845528 30.974 > 1 10 P 0.59543143844559 0.37418328911167 0.66782325845528 30.974 > 1 11 P 0.09543143844559 0.70751662244500 0.66782325845528 30.974 > 1 12 P 0.59543143844559 0.70751662244500 0.66782325845528 30.974 > 1 13 P 0.15456856155441 0.20751662244500 0.08217674154472 30.974 > 13 14 P 0.65456856155441 0.20751662244500 0.08217674154472 30.974 > 13 15 P 0.15456856155441 0.54084995577834 0.08217674154472 30.974 > 13 16 P 0.65456856155441 0.54084995577834 0.08217674154472 30.974 > 13 17 P 0.15456856155441 0.87418328911167 0.08217674154472 30.974 > 13 18 P 0.65456856155441 0.87418328911167 0.08217674154472 30.974 > 13 19 P 0.15456856155441 0.20751662244500 0.58217674154472 30.974 > 13 20 P 0.65456856155441 0.20751662244500 0.58217674154472 30.974 > 13 21 P 0.15456856155441 0.54084995577834 0.58217674154472 30.974 > 13 22 P 0.65456856155441 0.54084995577834 0.58217674154472 30.974 > 13 23 P 0.15456856155441 0.87418328911167 0.58217674154472 30.974 > 13 24 P 0.65456856155441 0.87418328911167 0.58217674154472 30.974 > 13 25 P 0.09543143844559 0.29248337755500 0.41782325845528 30.974 > 25 26 P 0.59543143844559 0.29248337755500 0.41782325845528 30.974 > 25 27 P 0.09543143844559 0.62581671088833 0.41782325845528 30.974 > 25 28 P 0.59543143844559 0.62581671088833 0.41782325845528 30.974 > 25 29 P 0.09543143844559 0.95915004422166 0.41782325845528 30.974 > 25 30 P 0.59543143844559 0.95915004422166 0.41782325845528 30.974 > 25 31 P 0.09543143844559 0.29248337755500 0.91782325845528 30.974 > 25 32 P 0.59543143844559 0.29248337755500 0.91782325845528 30.974 > 25 33 P 0.09543143844559 0.62581671088833 0.91782325845528 30.974 > 25 34 P 0.59543143844559 0.62581671088833 0.91782325845528 30.974 > 25 35 P 0.09543143844559 0.95915004422166 0.91782325845528 30.974 > 25 36 P 0.59543143844559 0.95915004422166 0.91782325845528 30.974 > 25 37 P 0.15456856155441 0.12581671088833 0.33217674154472 30.974 > 37 38 P 0.65456856155441 0.12581671088833 0.33217674154472 30.974 > 37 39 P 0.15456856155441 0.45915004422166 0.33217674154472 30.974 > 37 40 P 0.65456856155441 0.45915004422166 0.33217674154472 30.974 > 37 41 P 0.15456856155441 0.79248337755500 0.33217674154472 30.974 > 37 42 P 0.65456856155441 0.79248337755500 0.33217674154472 30.974 > 37 43 P 0.15456856155441 0.12581671088833 0.83217674154472 30.974 > 37 44 P 0.65456856155441 0.12581671088833 0.83217674154472 30.974 > 37 45 P 0.15456856155441 0.45915004422166 0.83217674154472 30.974 > 37 46 P 0.65456856155441 0.45915004422166 0.83217674154472 30.974 > 37 47 P 0.15456856155441 0.79248337755500 0.83217674154472 30.974 > 37 48 P 0.65456856155441 0.79248337755500 0.83217674154472 30.974 > 37 49 P 0.34543143844559 0.20751662244500 0.16782325845528 30.974 > 1 50 P 0.84543143844559 0.20751662244500 0.16782325845528 30.974 > 1 51 P 0.34543143844559 0.54084995577834 0.16782325845528 30.974 > 1 52 P 0.84543143844559 0.54084995577834 0.16782325845528 30.974 > 1 53 P 0.34543143844559 0.87418328911167 0.16782325845528 30.974 > 1 54 P 0.84543143844559 0.87418328911167 0.16782325845528 30.974 > 1 55 P 0.34543143844559 0.20751662244500 0.66782325845528 30.974 > 1 56 P 0.84543143844559 0.20751662244500 0.66782325845528 30.974 > 1 57 P 0.34543143844559 0.54084995577834 0.66782325845528 30.974 > 1 58 P 0.84543143844559 0.54084995577834 0.66782325845528 30.974 > 1 59 P 0.34543143844559 0.87418328911167 0.66782325845528 30.974 > 1 60 P 0.84543143844559 0.87418328911167 0.66782325845528 30.974 > 1 61 P 0.40456856155441 0.04084995577834 0.08217674154472 30.974 > 13 62 P 0.90456856155441 0.04084995577834 0.08217674154472 30.974 > 13 63 P 0.40456856155441 0.37418328911167 0.08217674154472 30.974 > 13 64 P 0.90456856155441 0.37418328911167 0.08217674154472 30.974 > 13 65 P 0.40456856155441 0.70751662244500 0.08217674154472 30.974 > 13 66 P 0.90456856155441 0.70751662244500 0.08217674154472 30.974 > 13 67 P 0.40456856155441 0.04084995577834 0.58217674154472 30.974 > 13 68 P 0.90456856155441 0.04084995577834 0.58217674154472 30.974 > 13 69 P 0.40456856155441 0.37418328911167 0.58217674154472 30.974 > 13 70 P 0.90456856155441 0.37418328911167 0.58217674154472 30.974 > 13 71 P 0.40456856155441 0.70751662244500 0.58217674154472 30.974 > 13 72 P 0.90456856155441 0.70751662244500 0.58217674154472 30.974 > 13 73 P 0.34543143844559 0.12581671088833 0.41782325845528 30.974 > 25 74 P 0.84543143844559 0.12581671088833 0.41782325845528 30.974 > 25 75 P 0.34543143844559 0.45915004422166 0.41782325845528 30.974 > 25 76 P 0.84543143844559 0.45915004422166 0.41782325845528 30.974 > 25 77 P 0.34543143844559 0.79248337755500 0.41782325845528 30.974 > 25 78 P 0.84543143844559 0.79248337755500 0.41782325845528 30.974 > 25 79 P 0.34543143844559 0.12581671088833 0.91782325845528 30.974 > 25 80 P 0.84543143844559 0.12581671088833 0.91782325845528 30.974 > 25 81 P 0.34543143844559 0.45915004422166 0.91782325845528 30.974 > 25 82 P 0.84543143844559 0.45915004422166 0.91782325845528 30.974 > 25 83 P 0.34543143844559 0.79248337755500 0.91782325845528 30.974 > 25 84 P 0.84543143844559 0.79248337755500 0.91782325845528 30.974 > 25 85 P 0.40456856155441 0.29248337755500 0.33217674154472 30.974 > 37 86 P 0.90456856155441 0.29248337755500 0.33217674154472 30.974 > 37 87 P 0.40456856155441 0.62581671088833 0.33217674154472 30.974 > 37 88 P 0.90456856155441 0.62581671088833 0.33217674154472 30.974 > 37 89 P 0.40456856155441 0.95915004422166 0.33217674154472 30.974 > 37 90 P 0.90456856155441 0.95915004422166 0.33217674154472 30.974 > 37 91 P 0.40456856155441 0.29248337755500 0.83217674154472 30.974 > 37 92 P 0.90456856155441 0.29248337755500 0.83217674154472 30.974 > 37 93 P 0.40456856155441 0.62581671088833 0.83217674154472 30.974 > 37 94 P 0.90456856155441 0.62581671088833 0.83217674154472 30.974 > 37 95 P 0.40456856155441 0.95915004422166 0.83217674154472 30.974 > 37 96 P 0.90456856155441 0.95915004422166 0.83217674154472 30.974 > 37 97 Pd 0.12500000000000 0.25000000000000 0.25000000000000 106.420 > 97 98 Pd 0.62500000000000 0.25000000000000 0.25000000000000 106.420 > 97 99 Pd 0.12500000000000 0.58333333333333 0.25000000000000 106.420 > 97 100 Pd 0.62500000000000 0.58333333333333 0.25000000000000 106.420 > 97 101 Pd 0.12500000000000 0.91666666666667 0.25000000000000 106.420 > 97 102 Pd 0.62500000000000 0.91666666666667 0.25000000000000 106.420 > 97 103 Pd 0.12500000000000 0.25000000000000 0.75000000000000 106.420 > 97 104 Pd 0.62500000000000 0.25000000000000 0.75000000000000 106.420 > 97 105 Pd 0.12500000000000 0.58333333333333 0.75000000000000 106.420 > 97 106 Pd 0.62500000000000 0.58333333333333 0.75000000000000 106.420 > 97 107 Pd 0.12500000000000 0.91666666666667 0.75000000000000 106.420 > 97 108 Pd 0.62500000000000 0.91666666666667 0.75000000000000 106.420 > 97 109 Pd 0.37500000000000 0.25000000000000 0.00000000000000 106.420 > 109 110 Pd 0.87500000000000 0.25000000000000 0.00000000000000 106.420 > 109 111 Pd 0.37500000000000 0.58333333333333 0.00000000000000 106.420 > 109 112 Pd 0.87500000000000 0.58333333333333 0.00000000000000 106.420 > 109 113 Pd 0.37500000000000 0.91666666666667 0.00000000000000 106.420 > 109 114 Pd 0.87500000000000 0.91666666666667 0.00000000000000 106.420 > 109 115 Pd 0.37500000000000 0.25000000000000 0.50000000000000 106.420 > 109 116 Pd 0.87500000000000 0.25000000000000 0.50000000000000 106.420 > 109 117 Pd 0.37500000000000 0.58333333333333 0.50000000000000 106.420 > 109 118 Pd 0.87500000000000 0.58333333333333 0.50000000000000 106.420 > 109 119 Pd 0.37500000000000 0.91666666666667 0.50000000000000 106.420 > 109 120 Pd 0.87500000000000 0.91666666666667 0.50000000000000 106.420 > 109 121 Pd 0.37500000000000 0.08333333333333 0.25000000000000 106.420 > 97 122 Pd 0.87500000000000 0.08333333333333 0.25000000000000 106.420 > 97 123 Pd 0.37500000000000 0.41666666666667 0.25000000000000 106.420 > 97 124 Pd 0.87500000000000 0.41666666666667 0.25000000000000 106.420 > 97 125 Pd 0.37500000000000 0.75000000000000 0.25000000000000 106.420 > 97 126 Pd 0.87500000000000 0.75000000000000 0.25000000000000 106.420 > 97 127 Pd 0.37500000000000 0.08333333333333 0.75000000000000 106.420 > 97 128 Pd 0.87500000000000 0.08333333333333 0.75000000000000 106.420 > 97 129 Pd 0.37500000000000 0.41666666666667 0.75000000000000 106.420 > 97 130 Pd 0.87500000000000 0.41666666666667 0.75000000000000 106.420 > 97 131 Pd 0.37500000000000 0.75000000000000 0.75000000000000 106.420 > 97 132 Pd 0.87500000000000 0.75000000000000 0.75000000000000 106.420 > 97 133 Pd 0.12500000000000 0.08333333333333 0.00000000000000 106.420 > 109 134 Pd 0.62500000000000 0.08333333333333 0.00000000000000 106.420 > 109 135 Pd 0.12500000000000 0.41666666666667 0.00000000000000 106.420 > 109 136 Pd 0.62500000000000 0.41666666666667 0.00000000000000 106.420 > 109 137 Pd 0.12500000000000 0.75000000000000 0.00000000000000 106.420 > 109 138 Pd 0.62500000000000 0.75000000000000 0.00000000000000 106.420 > 109 139 Pd 0.12500000000000 0.08333333333333 0.50000000000000 106.420 > 109 140 Pd 0.62500000000000 0.08333333333333 0.50000000000000 106.420 > 109 141 Pd 0.12500000000000 0.41666666666667 0.50000000000000 106.420 > 109 142 Pd 0.62500000000000 0.41666666666667 0.50000000000000 106.420 > 109 143 Pd 0.12500000000000 0.75000000000000 0.50000000000000 106.420 > 109 144 Pd 0.62500000000000 0.75000000000000 0.50000000000000 106.420 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 26.1365047 0.0000000 2.9103202 0.0000000 22.3548370 0.0000000 2.9103060 0.0000000 21.3705602 -------------------------- Born effective charges -------------------------- 1 P 0.3857014 -0.2372165 -0.3966088 -0.1372903 1.1513942 0.6039300 -0.6548893 0.7071117 0.8874199 2 P 0.3857014 0.2372165 -0.3966088 0.1372903 1.1513942 -0.6039300 -0.6548893 -0.7071117 0.8874199 3 P 0.3857014 0.2372165 -0.3966088 0.1372903 1.1513942 -0.6039300 -0.6548893 -0.7071117 0.8874199 4 P 0.3857014 -0.2372165 -0.3966088 -0.1372903 1.1513942 0.6039300 -0.6548893 0.7071117 0.8874199 5 Pd -0.7714028 -0.0300786 0.7932176 -0.3463152 -2.3027884 -0.5843856 1.3097785 0.1035115 -1.7748399 6 Pd -0.7714028 0.0300786 0.7932176 0.3463152 -2.3027884 0.5843856 1.3097785 -0.1035115 -1.7748399 ---------------------------------------------------------------------------- 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:56:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:56:20]------------------------- 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 3.369741305014913 -2.920501114999999 0.000000000000000 b 3.369741305014913 2.920501114999999 0.000000000000000 c -3.101703144326966 0.000000000000000 4.966145992437067 Atomic positions (fractional): 1 P 0.06831300955618 0.31341274422619 0.33564651691056 30.974 2 P 0.68658725577381 0.93168699044382 0.16435348308944 30.974 3 P 0.31341274422619 0.06831300955618 0.83564651691056 30.974 4 P 0.93168699044382 0.68658725577381 0.66435348308944 30.974 5 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 6 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.478965220059653 0.000000000000000 0.000000000000000 b 0.000000000000000 17.523006689999995 0.000000000000000 c -6.203406288653932 0.000000000000000 9.932291984874134 Atomic positions (fractional): 1 P 0.09543143844559 0.04084995577834 0.16782325845528 30.974 > 1 2 P 0.59543143844559 0.04084995577834 0.16782325845528 30.974 > 1 3 P 0.09543143844559 0.37418328911167 0.16782325845528 30.974 > 1 4 P 0.59543143844559 0.37418328911167 0.16782325845528 30.974 > 1 5 P 0.09543143844559 0.70751662244500 0.16782325845528 30.974 > 1 6 P 0.59543143844559 0.70751662244500 0.16782325845528 30.974 > 1 7 P 0.09543143844559 0.04084995577834 0.66782325845528 30.974 > 1 8 P 0.59543143844559 0.04084995577834 0.66782325845528 30.974 > 1 9 P 0.09543143844559 0.37418328911167 0.66782325845528 30.974 > 1 10 P 0.59543143844559 0.37418328911167 0.66782325845528 30.974 > 1 11 P 0.09543143844559 0.70751662244500 0.66782325845528 30.974 > 1 12 P 0.59543143844559 0.70751662244500 0.66782325845528 30.974 > 1 13 P 0.15456856155441 0.20751662244500 0.08217674154472 30.974 > 13 14 P 0.65456856155441 0.20751662244500 0.08217674154472 30.974 > 13 15 P 0.15456856155441 0.54084995577834 0.08217674154472 30.974 > 13 16 P 0.65456856155441 0.54084995577834 0.08217674154472 30.974 > 13 17 P 0.15456856155441 0.87418328911167 0.08217674154472 30.974 > 13 18 P 0.65456856155441 0.87418328911167 0.08217674154472 30.974 > 13 19 P 0.15456856155441 0.20751662244500 0.58217674154472 30.974 > 13 20 P 0.65456856155441 0.20751662244500 0.58217674154472 30.974 > 13 21 P 0.15456856155441 0.54084995577834 0.58217674154472 30.974 > 13 22 P 0.65456856155441 0.54084995577834 0.58217674154472 30.974 > 13 23 P 0.15456856155441 0.87418328911167 0.58217674154472 30.974 > 13 24 P 0.65456856155441 0.87418328911167 0.58217674154472 30.974 > 13 25 P 0.09543143844559 0.29248337755500 0.41782325845528 30.974 > 25 26 P 0.59543143844559 0.29248337755500 0.41782325845528 30.974 > 25 27 P 0.09543143844559 0.62581671088833 0.41782325845528 30.974 > 25 28 P 0.59543143844559 0.62581671088833 0.41782325845528 30.974 > 25 29 P 0.09543143844559 0.95915004422166 0.41782325845528 30.974 > 25 30 P 0.59543143844559 0.95915004422166 0.41782325845528 30.974 > 25 31 P 0.09543143844559 0.29248337755500 0.91782325845528 30.974 > 25 32 P 0.59543143844559 0.29248337755500 0.91782325845528 30.974 > 25 33 P 0.09543143844559 0.62581671088833 0.91782325845528 30.974 > 25 34 P 0.59543143844559 0.62581671088833 0.91782325845528 30.974 > 25 35 P 0.09543143844559 0.95915004422166 0.91782325845528 30.974 > 25 36 P 0.59543143844559 0.95915004422166 0.91782325845528 30.974 > 25 37 P 0.15456856155441 0.12581671088833 0.33217674154472 30.974 > 37 38 P 0.65456856155441 0.12581671088833 0.33217674154472 30.974 > 37 39 P 0.15456856155441 0.45915004422166 0.33217674154472 30.974 > 37 40 P 0.65456856155441 0.45915004422166 0.33217674154472 30.974 > 37 41 P 0.15456856155441 0.79248337755500 0.33217674154472 30.974 > 37 42 P 0.65456856155441 0.79248337755500 0.33217674154472 30.974 > 37 43 P 0.15456856155441 0.12581671088833 0.83217674154472 30.974 > 37 44 P 0.65456856155441 0.12581671088833 0.83217674154472 30.974 > 37 45 P 0.15456856155441 0.45915004422166 0.83217674154472 30.974 > 37 46 P 0.65456856155441 0.45915004422166 0.83217674154472 30.974 > 37 47 P 0.15456856155441 0.79248337755500 0.83217674154472 30.974 > 37 48 P 0.65456856155441 0.79248337755500 0.83217674154472 30.974 > 37 49 P 0.34543143844559 0.20751662244500 0.16782325845528 30.974 > 1 50 P 0.84543143844559 0.20751662244500 0.16782325845528 30.974 > 1 51 P 0.34543143844559 0.54084995577834 0.16782325845528 30.974 > 1 52 P 0.84543143844559 0.54084995577834 0.16782325845528 30.974 > 1 53 P 0.34543143844559 0.87418328911167 0.16782325845528 30.974 > 1 54 P 0.84543143844559 0.87418328911167 0.16782325845528 30.974 > 1 55 P 0.34543143844559 0.20751662244500 0.66782325845528 30.974 > 1 56 P 0.84543143844559 0.20751662244500 0.66782325845528 30.974 > 1 57 P 0.34543143844559 0.54084995577834 0.66782325845528 30.974 > 1 58 P 0.84543143844559 0.54084995577834 0.66782325845528 30.974 > 1 59 P 0.34543143844559 0.87418328911167 0.66782325845528 30.974 > 1 60 P 0.84543143844559 0.87418328911167 0.66782325845528 30.974 > 1 61 P 0.40456856155441 0.04084995577834 0.08217674154472 30.974 > 13 62 P 0.90456856155441 0.04084995577834 0.08217674154472 30.974 > 13 63 P 0.40456856155441 0.37418328911167 0.08217674154472 30.974 > 13 64 P 0.90456856155441 0.37418328911167 0.08217674154472 30.974 > 13 65 P 0.40456856155441 0.70751662244500 0.08217674154472 30.974 > 13 66 P 0.90456856155441 0.70751662244500 0.08217674154472 30.974 > 13 67 P 0.40456856155441 0.04084995577834 0.58217674154472 30.974 > 13 68 P 0.90456856155441 0.04084995577834 0.58217674154472 30.974 > 13 69 P 0.40456856155441 0.37418328911167 0.58217674154472 30.974 > 13 70 P 0.90456856155441 0.37418328911167 0.58217674154472 30.974 > 13 71 P 0.40456856155441 0.70751662244500 0.58217674154472 30.974 > 13 72 P 0.90456856155441 0.70751662244500 0.58217674154472 30.974 > 13 73 P 0.34543143844559 0.12581671088833 0.41782325845528 30.974 > 25 74 P 0.84543143844559 0.12581671088833 0.41782325845528 30.974 > 25 75 P 0.34543143844559 0.45915004422166 0.41782325845528 30.974 > 25 76 P 0.84543143844559 0.45915004422166 0.41782325845528 30.974 > 25 77 P 0.34543143844559 0.79248337755500 0.41782325845528 30.974 > 25 78 P 0.84543143844559 0.79248337755500 0.41782325845528 30.974 > 25 79 P 0.34543143844559 0.12581671088833 0.91782325845528 30.974 > 25 80 P 0.84543143844559 0.12581671088833 0.91782325845528 30.974 > 25 81 P 0.34543143844559 0.45915004422166 0.91782325845528 30.974 > 25 82 P 0.84543143844559 0.45915004422166 0.91782325845528 30.974 > 25 83 P 0.34543143844559 0.79248337755500 0.91782325845528 30.974 > 25 84 P 0.84543143844559 0.79248337755500 0.91782325845528 30.974 > 25 85 P 0.40456856155441 0.29248337755500 0.33217674154472 30.974 > 37 86 P 0.90456856155441 0.29248337755500 0.33217674154472 30.974 > 37 87 P 0.40456856155441 0.62581671088833 0.33217674154472 30.974 > 37 88 P 0.90456856155441 0.62581671088833 0.33217674154472 30.974 > 37 89 P 0.40456856155441 0.95915004422166 0.33217674154472 30.974 > 37 90 P 0.90456856155441 0.95915004422166 0.33217674154472 30.974 > 37 91 P 0.40456856155441 0.29248337755500 0.83217674154472 30.974 > 37 92 P 0.90456856155441 0.29248337755500 0.83217674154472 30.974 > 37 93 P 0.40456856155441 0.62581671088833 0.83217674154472 30.974 > 37 94 P 0.90456856155441 0.62581671088833 0.83217674154472 30.974 > 37 95 P 0.40456856155441 0.95915004422166 0.83217674154472 30.974 > 37 96 P 0.90456856155441 0.95915004422166 0.83217674154472 30.974 > 37 97 Pd 0.12500000000000 0.25000000000000 0.25000000000000 106.420 > 97 98 Pd 0.62500000000000 0.25000000000000 0.25000000000000 106.420 > 97 99 Pd 0.12500000000000 0.58333333333333 0.25000000000000 106.420 > 97 100 Pd 0.62500000000000 0.58333333333333 0.25000000000000 106.420 > 97 101 Pd 0.12500000000000 0.91666666666667 0.25000000000000 106.420 > 97 102 Pd 0.62500000000000 0.91666666666667 0.25000000000000 106.420 > 97 103 Pd 0.12500000000000 0.25000000000000 0.75000000000000 106.420 > 97 104 Pd 0.62500000000000 0.25000000000000 0.75000000000000 106.420 > 97 105 Pd 0.12500000000000 0.58333333333333 0.75000000000000 106.420 > 97 106 Pd 0.62500000000000 0.58333333333333 0.75000000000000 106.420 > 97 107 Pd 0.12500000000000 0.91666666666667 0.75000000000000 106.420 > 97 108 Pd 0.62500000000000 0.91666666666667 0.75000000000000 106.420 > 97 109 Pd 0.37500000000000 0.25000000000000 0.00000000000000 106.420 > 109 110 Pd 0.87500000000000 0.25000000000000 0.00000000000000 106.420 > 109 111 Pd 0.37500000000000 0.58333333333333 0.00000000000000 106.420 > 109 112 Pd 0.87500000000000 0.58333333333333 0.00000000000000 106.420 > 109 113 Pd 0.37500000000000 0.91666666666667 0.00000000000000 106.420 > 109 114 Pd 0.87500000000000 0.91666666666667 0.00000000000000 106.420 > 109 115 Pd 0.37500000000000 0.25000000000000 0.50000000000000 106.420 > 109 116 Pd 0.87500000000000 0.25000000000000 0.50000000000000 106.420 > 109 117 Pd 0.37500000000000 0.58333333333333 0.50000000000000 106.420 > 109 118 Pd 0.87500000000000 0.58333333333333 0.50000000000000 106.420 > 109 119 Pd 0.37500000000000 0.91666666666667 0.50000000000000 106.420 > 109 120 Pd 0.87500000000000 0.91666666666667 0.50000000000000 106.420 > 109 121 Pd 0.37500000000000 0.08333333333333 0.25000000000000 106.420 > 97 122 Pd 0.87500000000000 0.08333333333333 0.25000000000000 106.420 > 97 123 Pd 0.37500000000000 0.41666666666667 0.25000000000000 106.420 > 97 124 Pd 0.87500000000000 0.41666666666667 0.25000000000000 106.420 > 97 125 Pd 0.37500000000000 0.75000000000000 0.25000000000000 106.420 > 97 126 Pd 0.87500000000000 0.75000000000000 0.25000000000000 106.420 > 97 127 Pd 0.37500000000000 0.08333333333333 0.75000000000000 106.420 > 97 128 Pd 0.87500000000000 0.08333333333333 0.75000000000000 106.420 > 97 129 Pd 0.37500000000000 0.41666666666667 0.75000000000000 106.420 > 97 130 Pd 0.87500000000000 0.41666666666667 0.75000000000000 106.420 > 97 131 Pd 0.37500000000000 0.75000000000000 0.75000000000000 106.420 > 97 132 Pd 0.87500000000000 0.75000000000000 0.75000000000000 106.420 > 97 133 Pd 0.12500000000000 0.08333333333333 0.00000000000000 106.420 > 109 134 Pd 0.62500000000000 0.08333333333333 0.00000000000000 106.420 > 109 135 Pd 0.12500000000000 0.41666666666667 0.00000000000000 106.420 > 109 136 Pd 0.62500000000000 0.41666666666667 0.00000000000000 106.420 > 109 137 Pd 0.12500000000000 0.75000000000000 0.00000000000000 106.420 > 109 138 Pd 0.62500000000000 0.75000000000000 0.00000000000000 106.420 > 109 139 Pd 0.12500000000000 0.08333333333333 0.50000000000000 106.420 > 109 140 Pd 0.62500000000000 0.08333333333333 0.50000000000000 106.420 > 109 141 Pd 0.12500000000000 0.41666666666667 0.50000000000000 106.420 > 109 142 Pd 0.62500000000000 0.41666666666667 0.50000000000000 106.420 > 109 143 Pd 0.12500000000000 0.75000000000000 0.50000000000000 106.420 > 109 144 Pd 0.62500000000000 0.75000000000000 0.50000000000000 106.420 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 26.1365047 0.0000000 2.9103202 0.0000000 22.3548370 0.0000000 2.9103060 0.0000000 21.3705602 -------------------------- Born effective charges -------------------------- 1 P 0.3857014 -0.2372165 -0.3966088 -0.1372903 1.1513942 0.6039300 -0.6548893 0.7071117 0.8874199 2 P 0.3857014 0.2372165 -0.3966088 0.1372903 1.1513942 -0.6039300 -0.6548893 -0.7071117 0.8874199 3 P 0.3857014 0.2372165 -0.3966088 0.1372903 1.1513942 -0.6039300 -0.6548893 -0.7071117 0.8874199 4 P 0.3857014 -0.2372165 -0.3966088 -0.1372903 1.1513942 0.6039300 -0.6548893 0.7071117 0.8874199 5 Pd -0.7714028 -0.0300786 0.7932176 -0.3463152 -2.3027884 -0.5843856 1.3097785 0.1035115 -1.7748399 6 Pd -0.7714028 0.0300786 0.7932176 0.3463152 -2.3027884 0.5843856 1.3097785 -0.1035115 -1.7748399 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 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: 0.90, Number of G-points: 291, Lambda: 0.45 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/398) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.804 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 8.695 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 11.106 ( 0.000 0.000 0.000) 0.000 12.951 ( 0.000 0.000 0.000) 0.000 13.069 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 13.745 ( 0.000 0.000 0.000) 0.000 13.807 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 23.873 -17.635 7.502) 30.613 0.732 ( 21.918 -31.788 -0.691) 38.619 1.216 ( 9.899 -65.168 16.719) 68.003 3.605 ( -3.448 -2.978 -1.700) 4.862 4.290 ( 6.582 1.416 6.921) 9.656 5.525 ( -5.544 3.995 1.453) 6.986 5.779 ( 0.005 3.830 0.385) 3.849 6.281 ( 2.773 -4.634 -7.489) 9.233 8.677 ( 1.225 1.946 -2.605) 3.475 8.711 ( -11.525 -2.508 1.374) 11.875 10.841 ( -0.179 -2.406 -2.750) 3.658 11.029 ( 1.168 -1.766 2.550) 3.315 11.141 ( -1.501 -3.933 -0.812) 4.287 12.910 ( -1.133 2.006 -4.410) 4.976 13.083 ( -1.071 -2.675 -0.350) 2.902 13.153 ( -0.046 4.306 4.364) 6.131 13.744 ( 0.296 0.266 0.027) 0.398 13.823 ( -1.124 -3.770 -1.176) 4.106 ======================= Grid point 2 (3/398) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 22.290 -16.049 9.125) 28.943 1.428 ( 19.136 -31.413 -2.154) 36.846 2.327 ( 6.635 -59.607 11.638) 61.094 3.579 ( -3.275 -0.922 -1.669) 3.789 4.469 ( 12.242 1.806 15.514) 19.845 5.356 ( -8.043 8.938 0.870) 12.056 5.711 ( -0.697 4.865 -0.561) 4.946 6.340 ( 5.153 -6.983 -11.773) 14.625 8.580 ( -6.866 5.166 0.369) 8.600 8.629 ( -0.032 4.993 0.574) 5.026 10.863 ( -0.168 -4.125 -3.168) 5.204 11.078 ( 0.030 -1.481 1.084) 1.836 11.214 ( 1.024 -6.886 1.033) 7.038 12.812 ( -0.856 4.550 -5.025) 6.833 13.080 ( -2.036 4.360 2.929) 5.633 13.125 ( -1.232 -0.582 1.454) 1.993 13.756 ( 0.999 -0.922 0.589) 1.481 13.864 ( -1.959 -6.278 -2.156) 6.921 ======================= Grid point 3 (4/398) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 19.899 -12.571 10.057) 25.596 2.066 ( 15.268 -31.417 -3.641) 35.119 3.225 ( 2.385 -48.231 4.382) 48.489 3.527 ( -2.969 0.477 -1.229) 3.248 4.780 ( 12.649 -1.075 24.422) 27.524 5.099 ( -5.947 12.595 -2.650) 14.179 5.620 ( -2.204 4.741 -0.174) 5.231 6.417 ( 6.007 -7.503 -13.765) 16.789 8.415 ( -5.454 7.737 1.847) 9.645 8.546 ( -0.269 6.874 0.527) 6.899 10.903 ( -0.117 -4.563 -2.420) 5.166 11.094 ( -1.104 -1.747 -0.708) 2.184 11.364 ( 2.325 -9.402 1.527) 9.805 12.684 ( 0.723 9.198 -2.807) 9.644 12.981 ( -3.347 6.768 3.492) 8.319 13.137 ( -2.322 -3.127 -1.196) 4.074 13.805 ( 1.606 -2.296 1.483) 3.170 13.916 ( -2.213 -7.128 -2.747) 7.953 ======================= Grid point 4 (5/398) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 15.644 -7.633 7.869) 19.103 2.653 ( 12.062 -31.155 -3.097) 33.552 3.436 ( -3.938 0.789 -2.649) 4.812 3.861 ( 1.323 -29.915 3.457) 30.143 4.760 ( -10.303 11.772 -0.663) 15.658 5.217 ( 14.508 -3.746 18.102) 23.499 5.532 ( -1.192 4.812 3.995) 6.367 6.476 ( 4.525 -6.548 -14.451) 16.498 8.269 ( -3.541 6.765 2.398) 8.003 8.441 ( -0.685 7.278 0.568) 7.332 10.949 ( 0.188 -3.713 -1.139) 3.888 11.091 ( -1.869 -1.713 -1.914) 3.177 11.556 ( 2.587 -11.681 1.099) 12.014 12.512 ( 1.023 15.040 -0.358) 15.079 12.892 ( -2.497 3.133 2.438) 4.690 13.130 ( -3.044 -2.392 -2.086) 4.398 13.874 ( 1.474 -2.485 1.714) 3.359 13.967 ( -1.697 -6.228 -2.540) 6.937 ======================= Grid point 5 (6/398) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 8.744 -3.333 3.690) 10.059 3.207 ( 10.913 -28.758 -1.223) 30.783 3.358 ( -2.967 1.167 -1.506) 3.526 4.074 ( -7.050 5.870 3.340) 9.763 4.589 ( 0.104 -5.816 -2.745) 6.432 5.319 ( -3.337 4.173 -0.633) 5.380 5.699 ( 9.105 -2.858 17.647) 20.063 6.485 ( 1.567 -3.935 -11.990) 12.716 8.181 ( -1.438 3.512 1.885) 4.237 8.343 ( -0.705 5.127 0.255) 5.181 10.994 ( 0.848 -2.047 0.360) 2.245 11.069 ( -2.120 -1.013 -2.307) 3.293 11.776 ( 2.330 -13.996 0.547) 14.199 12.281 ( -0.431 17.191 0.209) 17.197 12.869 ( -0.137 0.756 2.100) 2.236 13.101 ( -2.756 -1.168 -2.093) 3.653 13.929 ( 0.769 -1.633 1.010) 2.069 14.008 ( -0.772 -3.569 -1.426) 3.920 ======================= Grid point 6 (7/398) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 0.000 -0.000 0.000) 0.000 3.322 ( 0.000 -0.000 0.000) 0.000 3.690 ( 0.000 -0.000 0.000) 0.000 3.743 ( -0.000 0.000 0.000) 0.000 4.690 ( 0.000 -0.000 -0.000) 0.000 5.236 ( 0.000 -0.000 0.000) 0.000 5.865 ( 0.000 -0.000 0.000) 0.000 6.468 ( 0.000 -0.000 0.000) 0.000 8.157 ( 0.000 -0.000 0.000) 0.000 8.299 ( 0.000 -0.000 0.000) 0.000 11.031 ( 0.000 -0.000 0.000) 0.000 11.037 ( 0.000 -0.000 0.000) 0.000 11.992 ( 0.000 -0.000 0.000) 0.000 12.055 ( -0.000 0.000 0.000) 0.000 12.876 ( 0.000 -0.000 0.000) 0.000 13.080 ( 0.000 -0.000 0.000) 0.000 13.950 ( 0.000 -0.000 -0.000) 0.000 14.024 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 14.214 -0.000 22.011) 26.201 0.721 ( 35.653 -0.000 -11.101) 37.342 1.347 ( 32.058 -0.000 26.495) 41.589 3.548 ( -1.983 0.000 -0.044) 1.983 4.486 ( 11.505 -0.000 12.468) 16.965 5.487 ( -9.048 0.000 3.841) 9.830 5.819 ( 1.129 -0.000 -0.219) 1.150 6.200 ( 4.247 -0.000 -14.228) 14.849 8.611 ( -3.306 0.000 1.493) 3.628 8.704 ( -1.048 0.000 2.147) 2.390 10.799 ( 0.509 -0.000 -3.874) 3.907 11.066 ( 2.463 -0.000 3.497) 4.277 11.097 ( -0.766 0.000 -0.260) 0.809 12.883 ( 0.040 -0.000 -4.617) 4.617 13.042 ( -1.786 0.000 -0.253) 1.804 13.209 ( -1.496 0.000 4.596) 4.833 13.751 ( 0.606 -0.000 -0.006) 0.606 13.761 ( -2.208 0.000 -2.284) 3.177 ======================= Grid point 15 (9/398) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 28.913 -17.808 -6.875) 34.646 1.341 ( 14.856 -30.494 12.614) 36.190 2.011 ( 21.856 -19.105 19.508) 34.975 3.523 ( -3.090 -0.524 -0.038) 3.135 4.765 ( 13.781 -0.708 17.276) 22.110 5.349 ( -10.839 5.026 1.793) 12.081 5.789 ( 1.334 5.783 -0.308) 5.942 6.190 ( 4.681 -7.095 -16.130) 18.233 8.562 ( -5.092 2.131 1.616) 5.751 8.688 ( -0.611 2.683 1.286) 3.038 10.796 ( 1.138 -2.199 -3.414) 4.217 11.072 ( -0.798 0.375 -0.368) 0.956 11.163 ( 2.342 -4.485 2.213) 5.523 12.843 ( 2.082 3.128 -2.706) 4.631 13.033 ( -1.914 -2.045 -0.662) 2.878 13.185 ( -3.423 3.550 3.703) 6.167 13.730 ( -2.806 -3.010 -2.764) 4.957 13.772 ( 1.143 -1.463 0.162) 1.864 ======================= Grid point 16 (10/398) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 23.128 -22.806 -2.957) 32.615 1.987 ( 17.409 -17.899 10.306) 27.012 2.698 ( 8.790 -34.425 7.839) 36.384 3.489 ( -2.884 -0.330 0.611) 2.966 5.041 ( -3.368 5.261 16.264) 17.423 5.164 ( 4.570 0.830 -0.756) 4.706 5.713 ( 1.968 7.513 2.458) 8.146 6.245 ( 3.481 -9.183 -14.361) 17.398 8.456 ( -5.218 5.174 1.972) 7.608 8.631 ( -0.850 5.144 0.764) 5.269 10.834 ( 1.638 -3.572 -2.205) 4.506 11.051 ( -1.582 -0.686 -1.743) 2.452 11.289 ( 2.545 -6.825 1.494) 7.435 12.809 ( 4.344 5.998 -0.048) 7.407 13.017 ( -3.036 1.599 -0.313) 3.446 13.099 ( -3.694 2.688 1.512) 4.813 13.733 ( -3.277 -5.808 -3.233) 7.411 13.831 ( 2.340 -3.064 1.142) 4.021 ======================= Grid point 17 (11/398) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 20.360 -19.546 2.749) 28.357 2.428 ( 13.798 -9.753 5.955) 17.915 3.226 ( -3.863 -23.554 -2.916) 24.046 3.559 ( 4.053 -14.540 4.215) 15.671 4.798 ( -9.884 11.791 -1.051) 15.422 5.338 ( 0.570 -2.161 3.502) 4.154 5.729 ( 9.197 4.069 9.468) 13.813 6.303 ( 1.011 -8.071 -9.375) 12.412 8.332 ( -3.859 5.948 2.091) 7.392 8.534 ( -1.509 6.855 0.416) 7.031 10.900 ( 2.090 -3.876 -0.635) 4.449 11.027 ( -1.886 -1.365 -2.531) 3.439 11.441 ( 2.133 -9.239 0.609) 9.502 12.733 ( 1.750 12.908 0.557) 13.038 12.925 ( -1.936 3.093 1.335) 3.885 13.074 ( -0.860 -0.730 -0.226) 1.151 13.762 ( -3.251 -7.507 -3.580) 8.930 13.927 ( 3.325 -3.205 2.267) 5.145 ======================= Grid point 18 (12/398) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 9.117 4.538 7.168) 12.453 2.952 ( 13.942 -26.224 -0.780) 29.710 3.296 ( -3.006 -4.806 -1.450) 5.851 3.976 ( 3.608 -20.201 2.940) 20.731 4.516 ( -6.208 7.954 -3.588) 10.709 5.289 ( -6.195 1.729 -1.441) 6.591 5.871 ( 6.404 -0.589 -1.518) 6.608 6.378 ( 0.150 -5.108 4.552) 6.843 8.233 ( -2.101 4.714 1.563) 5.393 8.414 ( -1.914 6.694 -0.101) 6.963 10.981 ( 2.490 -3.157 0.883) 4.116 11.008 ( -1.538 -1.641 -2.303) 3.219 11.615 ( 1.421 -11.766 -0.073) 11.852 12.505 ( -2.788 16.121 -0.639) 16.372 12.904 ( 0.918 1.802 0.386) 2.059 13.087 ( 2.255 0.489 1.727) 2.882 13.806 ( -2.920 -7.699 -3.629) 8.998 14.026 ( 3.752 -1.382 2.987) 4.991 ======================= Grid point 19 (13/398) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 0.374 8.526 3.721) 9.310 3.261 ( -1.157 -7.065 -1.498) 7.314 3.547 ( 14.708 -20.411 1.585) 25.208 3.955 ( -4.451 19.408 0.709) 19.924 4.549 ( -1.403 -14.075 -2.520) 14.368 5.186 ( -4.677 -2.030 -2.415) 5.642 5.821 ( -1.562 2.465 -14.965) 15.247 6.510 ( -0.650 -1.567 14.761) 14.858 8.169 ( -0.853 2.504 -0.008) 2.645 8.313 ( -1.443 3.379 -0.470) 3.704 11.002 ( -0.437 -1.240 -1.372) 1.900 11.060 ( 2.525 -1.775 2.029) 3.694 11.811 ( 0.623 -14.148 -0.354) 14.167 12.225 ( -3.522 15.916 -1.276) 16.351 12.882 ( 0.522 1.578 -1.649) 2.341 13.141 ( 4.956 1.668 3.795) 6.461 13.846 ( -2.695 -6.244 -3.437) 7.619 14.097 ( 3.648 1.456 3.193) 5.062 ======================= Grid point 20 (14/398) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -6.138 12.022 0.272) 13.501 3.331 ( -0.029 -3.187 1.905) 3.713 3.544 ( -4.292 26.669 0.015) 27.012 4.015 ( 13.452 -15.993 -1.040) 20.924 4.563 ( -8.843 -2.610 -3.303) 9.794 5.262 ( 1.511 -9.402 0.286) 9.527 5.548 ( -5.546 9.758 -19.625) 22.608 6.598 ( -3.998 1.897 15.056) 15.693 8.145 ( 0.508 -0.974 -1.920) 2.212 8.289 ( -0.465 -2.060 -0.393) 2.148 11.008 ( 0.710 0.104 -0.068) 0.721 11.120 ( 2.153 -0.115 2.169) 3.059 11.931 ( -3.331 11.315 -1.163) 11.853 12.052 ( 0.185 -12.725 -0.447) 12.735 12.861 ( 1.425 0.662 -2.065) 2.595 13.205 ( 5.153 2.762 3.883) 7.019 13.858 ( -2.642 -3.628 -3.178) 5.499 14.123 ( 3.231 4.098 3.046) 6.043 ======================= Grid point 21 (15/398) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -10.610 16.300 -3.831) 19.822 3.018 ( -7.614 32.677 3.581) 33.743 3.457 ( 3.183 -3.742 1.604) 5.168 4.135 ( 2.071 10.865 -5.967) 12.568 4.623 ( -3.134 -19.125 0.856) 19.399 5.055 ( -5.630 19.659 -19.224) 28.067 5.469 ( 2.988 -8.278 -0.750) 8.833 6.591 ( -6.524 4.552 12.934) 15.184 8.196 ( 2.580 -5.981 -2.359) 6.928 8.344 ( -0.040 -6.004 -0.417) 6.019 11.010 ( 1.361 2.185 1.084) 2.793 11.147 ( 1.379 1.373 1.399) 2.397 11.689 ( -2.948 13.067 -1.458) 13.475 12.287 ( 0.565 -16.702 0.871) 16.735 12.871 ( 2.230 -1.059 -2.040) 3.202 13.242 ( 4.096 3.931 3.022) 6.431 13.835 ( -2.483 -0.964 -2.775) 3.847 14.109 ( 2.666 5.934 2.663) 7.029 ======================= Grid point 22 (16/398) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -13.671 20.157 -7.180) 25.392 2.448 ( -8.380 36.858 3.575) 37.967 3.565 ( 3.515 -2.300 3.168) 5.261 3.815 ( 0.703 34.005 -1.410) 34.042 4.444 ( -16.782 5.611 -20.776) 27.291 5.003 ( 8.425 -13.487 -0.711) 15.918 5.596 ( 2.325 -4.585 0.613) 5.177 6.524 ( -6.320 5.617 10.002) 13.097 8.338 ( 4.298 -9.716 -1.581) 10.741 8.440 ( -0.164 -7.473 -0.108) 7.475 10.993 ( 1.300 4.075 1.851) 4.660 11.138 ( 0.592 2.320 0.214) 2.404 11.474 ( -2.011 11.180 -1.250) 11.428 12.543 ( 1.346 -15.155 2.928) 15.494 12.907 ( 1.563 -3.040 -3.073) 4.597 13.240 ( 2.709 4.834 1.882) 5.852 13.790 ( -1.899 0.621 -1.930) 2.778 14.064 ( 1.974 6.945 2.026) 7.499 ======================= Grid point 23 (17/398) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -13.541 22.944 -7.578) 27.699 1.826 ( -7.006 39.837 2.498) 40.526 3.102 ( -1.189 59.565 -3.376) 59.673 3.646 ( 2.931 0.357 2.673) 3.983 4.177 ( -8.630 -6.342 -10.913) 15.290 5.275 ( 4.616 -12.729 -0.342) 13.544 5.672 ( 0.987 -3.050 0.286) 3.218 6.442 ( -3.616 5.619 5.924) 8.930 8.536 ( 5.425 -8.967 -4.889) 11.565 8.545 ( -1.005 -8.929 4.966) 10.266 10.955 ( 0.742 4.844 1.811) 5.224 11.102 ( -0.062 2.868 -0.807) 2.980 11.309 ( -0.528 8.440 -0.422) 8.467 12.786 ( 2.170 -10.299 5.941) 12.086 12.942 ( -0.442 -5.736 -5.789) 8.161 13.203 ( 1.297 5.060 0.743) 5.276 13.751 ( -0.866 0.714 -0.740) 1.345 13.994 ( 1.094 7.151 1.118) 7.320 ======================= Grid point 24 (18/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.000 24.622 0.000) 24.622 1.200 ( -0.000 41.729 0.000) 41.729 2.135 ( -0.000 70.262 0.000) 70.262 3.666 ( -0.000 0.820 0.000) 0.820 4.174 ( 0.000 -4.981 -0.000) 4.981 5.462 ( 0.000 -9.243 -0.000) 9.243 5.723 ( 0.000 -3.525 -0.000) 3.525 6.365 ( -0.000 5.474 0.000) 5.474 8.623 ( 0.000 -4.917 -0.000) 4.917 8.740 ( 0.000 -10.365 -0.000) 10.365 10.902 ( -0.000 4.172 0.000) 4.172 11.050 ( -0.000 3.248 0.000) 3.248 11.216 ( -0.000 4.566 0.000) 4.566 12.916 ( 0.000 -1.500 -0.000) 1.500 13.023 ( 0.000 -10.292 -0.000) 10.292 13.145 ( -0.000 4.393 0.000) 4.393 13.738 ( -0.000 0.027 0.000) 0.027 13.908 ( -0.000 6.235 0.000) 6.235 ======================= Grid point 27 (19/398) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 12.831 -0.000 17.187) 21.449 1.407 ( 31.340 -0.000 -7.851) 32.308 2.347 ( 22.855 -0.000 15.742) 27.751 3.483 ( -3.536 0.000 1.071) 3.694 5.047 ( 12.070 -0.000 14.577) 18.925 5.255 ( -12.079 0.000 0.727) 12.101 5.887 ( 3.234 -0.000 4.650) 5.664 6.034 ( 2.902 -0.000 -18.674) 18.899 8.531 ( -4.985 0.000 1.810) 5.304 8.707 ( -0.971 0.000 1.034) 1.418 10.779 ( 2.336 -0.000 -2.678) 3.553 11.049 ( -1.861 0.000 -1.869) 2.638 11.184 ( 3.089 -0.000 1.996) 3.677 12.907 ( 5.749 -0.000 -0.005) 5.749 12.993 ( -1.301 0.000 -0.396) 1.360 13.176 ( -5.618 0.000 1.898) 5.930 13.636 ( -3.781 0.000 -3.798) 5.359 13.789 ( 2.099 -0.000 1.125) 2.382 ======================= Grid point 28 (20/398) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 23.708 -12.338 -1.449) 26.766 1.860 ( 13.098 -28.101 8.384) 32.117 2.722 ( 17.830 -2.039 9.553) 20.330 3.457 ( -2.804 -0.773 2.217) 3.658 5.061 ( -10.804 5.614 -2.475) 12.424 5.263 ( 5.889 -1.947 6.441) 8.942 5.865 ( 3.085 4.761 -4.915) 7.506 6.072 ( 2.400 -7.126 1.107) 7.601 8.464 ( -4.776 2.616 1.702) 5.705 8.678 ( -1.622 2.701 0.442) 3.182 10.811 ( 3.097 -1.852 -1.352) 3.853 11.007 ( -1.945 -0.124 -2.639) 3.281 11.257 ( 2.606 -3.489 0.829) 4.434 12.953 ( 4.168 3.444 1.469) 5.603 13.009 ( 2.888 0.582 0.298) 2.960 13.084 ( -6.215 1.949 0.449) 6.529 13.584 ( -4.017 -3.866 -4.217) 6.990 13.847 ( 3.463 -1.664 2.427) 4.545 ======================= Grid point 29 (21/398) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 18.944 -18.056 -1.048) 26.191 2.510 ( 10.117 -30.420 8.972) 33.290 2.952 ( 7.720 -0.895 1.678) 7.951 3.508 ( 2.942 -5.460 2.911) 6.851 4.811 ( -7.771 8.238 -5.437) 12.562 5.325 ( -2.752 0.505 1.807) 3.331 5.811 ( 1.377 -2.716 -13.464) 13.804 6.249 ( 2.878 -3.341 15.731) 16.337 8.373 ( -3.629 4.262 1.612) 5.825 8.597 ( -2.500 5.061 -0.209) 5.649 10.883 ( 3.305 -3.088 0.207) 4.528 10.970 ( -1.448 -0.785 -2.874) 3.313 11.357 ( 1.834 -6.261 -0.010) 6.524 12.876 ( -6.170 8.732 -1.549) 10.804 12.962 ( 1.344 1.830 0.331) 2.295 13.114 ( 6.663 1.601 3.209) 7.567 13.582 ( -3.547 -6.936 -4.388) 8.941 13.957 ( 4.903 -2.698 3.832) 6.783 ======================= Grid point 30 (22/398) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 10.693 -16.859 2.390) 20.107 2.959 ( 8.502 7.313 2.638) 11.520 3.075 ( 2.466 -23.947 3.946) 24.395 3.763 ( 8.313 -18.084 0.354) 19.907 4.558 ( -4.822 10.102 -6.117) 12.756 5.225 ( -8.148 4.012 -0.468) 9.094 5.753 ( -1.835 -6.021 -17.353) 18.460 6.456 ( 1.576 -1.790 19.421) 19.567 8.284 ( -2.244 4.641 1.255) 5.305 8.475 ( -3.011 6.310 -0.869) 7.045 10.952 ( -0.728 -1.744 -1.735) 2.565 10.979 ( 3.275 -3.354 0.955) 4.784 11.481 ( 1.161 -8.824 -0.348) 8.907 12.632 ( -6.834 11.221 -2.644) 13.402 12.947 ( 1.508 2.666 -0.574) 3.116 13.201 ( 7.532 2.696 4.347) 9.104 13.622 ( -2.775 -8.460 -4.220) 9.853 14.089 ( 5.561 -1.573 4.494) 7.321 ======================= Grid point 31 (23/398) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -1.600 11.054 5.151) 12.300 3.104 ( 3.887 -13.238 -2.117) 13.958 3.494 ( 13.521 -15.850 5.177) 21.467 4.095 ( 3.039 -4.483 -0.002) 5.416 4.349 ( -1.566 -0.778 -5.786) 6.044 5.040 ( -9.749 0.290 -5.360) 11.129 5.664 ( -3.356 -3.036 -14.797) 15.473 6.614 ( -1.616 -0.181 17.010) 17.087 8.205 ( -1.299 4.161 0.222) 4.365 8.345 ( -2.522 5.143 -1.193) 5.851 10.969 ( 0.602 -2.181 -0.879) 2.427 11.073 ( 2.461 -2.978 1.811) 4.267 11.635 ( 0.838 -11.326 -0.192) 11.358 12.359 ( -5.900 12.675 -2.914) 14.282 12.919 ( 1.918 3.158 -1.118) 3.861 13.285 ( 6.741 2.853 4.505) 8.595 13.680 ( -2.378 -8.185 -3.855) 9.354 14.194 ( 5.117 1.047 4.145) 6.668 ======================= Grid point 32 (24/398) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -3.530 15.808 3.006) 16.475 3.279 ( 3.143 -7.039 1.027) 7.777 3.869 ( -1.858 23.076 -0.871) 23.167 3.934 ( 11.470 -18.539 2.343) 21.926 4.348 ( -8.647 -0.851 -8.617) 12.238 5.050 ( -1.373 -18.111 -3.755) 18.548 5.505 ( -3.187 6.362 -11.366) 13.409 6.678 ( -4.760 1.861 13.140) 14.099 8.141 ( -0.294 2.179 -1.397) 2.605 8.268 ( -1.313 1.086 -0.663) 1.829 11.011 ( 1.660 -1.780 0.205) 2.443 11.145 ( 1.466 -1.706 1.575) 2.746 11.823 ( 0.802 -13.391 0.368) 13.420 12.089 ( -4.408 12.685 -2.638) 13.686 12.895 ( 2.382 2.536 -1.069) 3.640 13.350 ( 5.392 3.432 4.018) 7.550 13.728 ( -2.387 -6.423 -3.467) 7.679 14.245 ( 3.920 3.641 3.180) 6.224 ======================= Grid point 33 (25/398) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -4.836 22.389 0.044) 22.906 3.398 ( -0.190 10.283 6.698) 12.274 3.479 ( 0.928 14.805 -2.278) 15.007 4.108 ( -10.753 1.175 -12.887) 16.825 4.326 ( 5.674 -17.488 0.955) 18.410 5.216 ( -1.655 18.295 -7.588) 19.875 5.315 ( 1.719 -16.829 -1.434) 16.977 6.656 ( -5.831 3.665 9.235) 11.521 8.136 ( 1.222 -2.959 -1.801) 3.673 8.270 ( -0.553 -3.276 -0.279) 3.334 11.053 ( 1.932 -0.128 0.811) 2.099 11.180 ( 0.619 0.056 0.886) 1.083 11.827 ( -2.842 12.584 -1.466) 12.984 12.067 ( 0.931 -15.890 0.477) 15.925 12.889 ( 2.143 1.279 -0.861) 2.640 13.378 ( 3.788 4.539 3.005) 6.632 13.749 ( -2.228 -3.960 -2.822) 5.349 14.239 ( 2.492 5.370 2.084) 6.276 ======================= Grid point 34 (26/398) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -5.078 27.666 -2.232) 28.217 2.931 ( -3.091 36.738 2.140) 36.929 3.599 ( 5.085 -4.518 4.919) 8.394 3.914 ( -7.951 -3.986 -10.497) 13.758 4.429 ( -2.924 15.283 -2.759) 15.803 4.962 ( 3.825 2.379 -2.730) 5.267 5.523 ( 1.103 -9.886 0.164) 9.949 6.588 ( -3.905 4.631 5.040) 7.880 8.230 ( 1.793 -8.665 -0.998) 8.904 8.335 ( -0.250 -6.416 -0.035) 6.421 11.066 ( 1.252 2.159 0.861) 2.640 11.174 ( 0.127 1.757 0.154) 1.769 11.612 ( -1.369 12.207 -0.819) 12.311 12.331 ( 0.915 -17.997 1.026) 18.050 12.892 ( 1.029 0.328 -0.877) 1.391 13.359 ( 1.909 5.534 1.494) 6.041 13.748 ( -1.337 -1.695 -1.522) 2.641 14.190 ( 1.171 6.334 1.047) 6.526 ======================= Grid point 35 (27/398) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -0.000 28.984 0.000) 28.984 2.368 ( -0.000 39.725 0.000) 39.725 3.692 ( -0.000 0.919 0.000) 0.919 3.875 ( -0.000 48.370 0.000) 48.370 3.932 ( 0.000 -11.106 -0.000) 11.106 5.110 ( 0.000 -13.555 -0.000) 13.555 5.630 ( 0.000 -4.594 -0.000) 4.594 6.515 ( -0.000 4.931 0.000) 4.931 8.393 ( 0.000 -12.200 -0.000) 12.200 8.435 ( 0.000 -7.504 -0.000) 7.504 11.033 ( -0.000 4.050 0.000) 4.050 11.141 ( -0.000 2.843 0.000) 2.843 11.438 ( -0.000 10.525 0.000) 10.525 12.602 ( 0.000 -17.912 -0.000) 17.912 12.891 ( 0.000 -0.139 -0.000) 0.139 13.294 ( -0.000 5.759 0.000) 5.759 13.746 ( 0.000 -0.127 -0.000) 0.127 14.106 ( -0.000 6.942 0.000) 6.942 ======================= Grid point 40 (28/398) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 8.201 -0.000 8.722) 11.972 2.010 ( 24.098 -0.000 -3.486) 24.349 3.023 ( 18.651 -0.000 7.290) 20.025 3.437 ( -2.293 0.000 3.231) 3.962 4.942 ( -9.408 0.000 -5.791) 11.048 5.315 ( 1.881 -0.000 -1.576) 2.454 5.772 ( -3.035 0.000 -14.258) 14.578 6.198 ( 4.308 -0.000 20.137) 20.593 8.439 ( -4.052 0.000 1.339) 4.268 8.671 ( -2.634 0.000 -0.299) 2.651 10.835 ( 3.749 -0.000 -0.225) 3.756 10.961 ( -1.671 0.000 -2.855) 3.308 11.265 ( 2.242 -0.000 -0.102) 2.245 12.988 ( -8.902 0.000 -2.186) 9.167 12.990 ( 1.664 -0.000 -0.055) 1.665 13.157 ( 10.193 -0.000 4.307) 11.066 13.470 ( -4.152 0.000 -4.608) 6.202 13.913 ( 5.208 -0.000 4.201) 6.691 ======================= Grid point 41 (29/398) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 3.271 -26.391 4.800) 27.023 2.324 ( 19.133 -8.527 -1.929) 21.036 3.225 ( 13.671 7.766 5.191) 16.558 3.490 ( 3.325 -5.381 1.358) 6.470 4.757 ( -6.537 4.033 -7.460) 10.708 5.301 ( -2.197 -0.447 -2.014) 3.014 5.627 ( -4.859 -0.951 -13.181) 14.080 6.409 ( 1.672 -1.261 21.201) 21.304 8.389 ( -2.913 2.144 1.140) 3.793 8.609 ( -3.567 2.529 -1.130) 4.516 10.895 ( 3.335 -1.620 0.880) 3.811 10.928 ( -0.538 -0.417 -2.480) 2.572 11.309 ( 1.723 -3.132 -0.549) 3.616 12.827 ( -9.642 2.856 -3.800) 10.751 13.011 ( 2.743 1.343 0.298) 3.069 13.291 ( 8.797 2.927 3.798) 10.019 13.422 ( -2.704 -4.666 -4.325) 6.913 14.041 ( 7.263 -1.192 6.033) 9.517 ======================= Grid point 42 (30/398) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -3.263 -29.966 1.070) 30.162 2.672 ( 12.730 -13.043 0.037) 18.225 3.301 ( 11.351 5.341 8.559) 15.187 3.665 ( 9.032 -9.144 -4.702) 13.686 4.564 ( -3.554 6.322 -7.559) 10.475 5.214 ( -7.246 6.354 1.706) 9.787 5.493 ( -4.303 -5.208 -14.718) 16.194 6.590 ( -0.944 -1.515 18.566) 18.652 8.327 ( -1.861 3.602 1.002) 4.177 8.500 ( -3.825 4.447 -1.807) 6.138 10.918 ( 0.373 -1.080 -1.238) 1.685 10.979 ( 2.752 -2.978 1.163) 4.218 11.390 ( 1.459 -5.869 -0.302) 6.055 12.619 ( -9.100 5.314 -4.568) 11.485 13.018 ( 3.036 3.114 0.307) 4.360 13.352 ( 3.440 0.287 0.757) 3.534 13.467 ( 1.736 -4.281 -1.599) 4.888 14.200 ( 7.906 -0.326 6.467) 10.219 ======================= Grid point 43 (31/398) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -4.789 -7.751 -3.025) 9.600 3.003 ( 6.053 -12.845 5.144) 15.103 3.562 ( 13.702 -6.256 9.934) 18.044 3.916 ( 6.853 -19.602 -7.681) 22.140 4.359 ( -2.406 8.626 -8.030) 12.029 4.962 ( -9.993 11.770 -1.967) 15.565 5.454 ( -3.024 -7.199 -9.200) 12.067 6.704 ( -3.179 -0.231 14.051) 14.408 8.256 ( -1.268 4.527 0.596) 4.739 8.372 ( -2.980 4.900 -2.001) 6.074 10.946 ( 1.493 -2.054 -0.222) 2.549 11.063 ( 1.546 -3.499 1.200) 4.009 11.509 ( 1.411 -8.340 0.245) 8.462 12.390 ( -7.392 7.356 -4.290) 11.276 13.003 ( 3.172 4.446 0.093) 5.462 13.403 ( 1.985 -2.097 0.750) 2.984 13.535 ( 1.652 -3.617 -1.383) 4.210 14.325 ( 6.591 2.099 5.242) 8.679 ======================= Grid point 44 (32/398) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -3.340 5.011 0.577) 6.050 3.257 ( 5.551 -7.600 4.588) 10.471 3.840 ( 5.537 -6.040 0.698) 8.224 4.068 ( 0.378 4.746 -4.516) 6.562 4.254 ( -0.268 -1.318 -3.943) 4.167 4.737 ( -5.318 -8.117 -4.622) 10.749 5.442 ( -2.067 -2.010 -5.116) 5.873 6.735 ( -4.279 1.760 9.192) 10.291 8.177 ( -0.699 4.506 -0.491) 4.587 8.273 ( -1.516 2.937 -1.077) 3.476 11.004 ( 1.973 -2.567 0.465) 3.271 11.132 ( 0.580 -3.115 0.840) 3.278 11.666 ( 1.248 -10.903 0.570) 10.989 12.166 ( -4.931 9.153 -3.134) 10.859 12.975 ( 2.758 4.558 -0.026) 5.327 13.466 ( 2.505 -0.659 2.324) 3.480 13.586 ( -0.468 -4.707 -2.616) 5.406 14.378 ( 4.208 4.433 3.249) 6.923 ======================= Grid point 45 (33/398) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -1.558 17.702 1.124) 17.806 3.447 ( 6.955 -4.129 4.754) 9.382 3.746 ( -6.885 4.894 -5.957) 10.336 3.933 ( -5.722 19.522 -3.002) 20.564 4.234 ( 5.476 -9.263 -0.679) 10.782 5.008 ( 0.381 -25.851 -1.321) 25.888 5.354 ( -0.967 8.072 -2.713) 8.570 6.702 ( -3.217 3.290 4.637) 6.533 8.122 ( 0.165 1.299 -0.810) 1.540 8.236 ( -0.559 -0.171 -0.251) 0.636 11.064 ( 1.410 -1.959 0.485) 2.462 11.176 ( 0.103 -1.781 0.402) 1.829 11.858 ( 0.851 -13.271 0.730) 13.318 11.961 ( -2.340 10.274 -1.749) 10.681 12.943 ( 1.530 3.443 -0.081) 3.768 13.499 ( 2.413 3.621 2.399) 4.969 13.629 ( -1.589 -6.357 -2.483) 7.007 14.359 ( 1.805 5.693 1.380) 6.129 ======================= Grid point 46 (34/398) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.000 27.337 0.000) 27.337 3.426 ( -0.000 32.533 0.000) 32.533 3.645 ( 0.000 -5.483 -0.000) 5.483 3.671 ( 0.000 -3.454 -0.000) 3.454 4.426 ( 0.000 -10.050 -0.000) 10.050 5.148 ( -0.000 17.220 0.000) 17.220 5.329 ( 0.000 -18.394 -0.000) 18.394 6.645 ( -0.000 4.125 0.000) 4.125 8.141 ( 0.000 -4.161 -0.000) 4.161 8.260 ( 0.000 -3.663 -0.000) 3.663 11.092 ( 0.000 -0.192 -0.000) 0.192 11.190 ( -0.000 0.137 0.000) 0.137 11.774 ( -0.000 12.150 0.000) 12.150 12.088 ( 0.000 -16.790 -0.000) 16.790 12.914 ( -0.000 1.955 0.000) 1.955 13.456 ( -0.000 5.308 0.000) 5.308 13.689 ( 0.000 -4.454 -0.000) 4.454 14.290 ( -0.000 6.048 0.000) 6.048 ======================= Grid point 53 (35/398) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 1.499 -0.000 0.781) 1.690 2.474 ( 15.219 -0.000 0.236) 15.221 3.430 ( -1.529 0.000 -2.017) 2.531 3.530 ( 16.924 -0.000 1.777) 17.017 4.669 ( -4.166 0.000 -4.696) 6.278 5.232 ( -1.981 0.000 -5.693) 6.028 5.488 ( -6.097 0.000 -6.461) 8.884 6.558 ( -1.592 0.000 19.554) 19.619 8.382 ( -1.917 0.000 0.807) 2.080 8.565 ( -4.277 0.000 -1.929) 4.692 10.907 ( 0.366 -0.000 -1.539) 1.582 10.931 ( 2.805 -0.000 1.225) 3.061 11.304 ( 1.797 -0.000 -0.570) 1.886 12.687 ( -10.059 0.000 -5.185) 11.317 13.065 ( 3.100 -0.000 1.049) 3.273 13.306 ( -2.520 0.000 -5.265) 5.837 13.456 ( 7.793 -0.000 3.330) 8.475 14.192 ( 9.362 -0.000 7.756) 12.157 ======================= Grid point 54 (36/398) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -1.045 -23.388 -0.629) 23.420 2.687 ( 10.375 -6.258 1.479) 12.206 3.384 ( -1.847 -3.523 -5.444) 6.743 3.733 ( 14.817 0.349 -0.895) 14.848 4.579 ( -1.045 5.372 -1.664) 5.720 5.189 ( -3.364 -2.346 -2.047) 4.584 5.337 ( -5.343 4.311 -6.246) 9.281 6.672 ( -3.526 -1.345 15.597) 16.047 8.355 ( -1.145 1.965 0.699) 2.379 8.480 ( -4.054 2.079 -2.338) 5.121 10.912 ( 1.403 -0.381 -0.404) 1.509 10.981 ( 1.704 -1.712 1.075) 2.644 11.346 ( 1.881 -2.988 -0.006) 3.531 12.512 ( -9.139 1.755 -5.482) 10.801 13.097 ( 2.222 1.459 1.613) 3.109 13.268 ( -0.995 -3.240 -5.153) 6.168 13.550 ( 5.600 1.292 2.338) 6.205 14.366 ( 9.083 0.756 7.369) 11.720 ======================= Grid point 55 (37/398) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -2.484 -22.410 -1.661) 22.608 2.928 ( 5.152 -11.213 3.995) 12.971 3.476 ( -0.538 -19.926 -5.946) 20.801 3.880 ( 12.710 1.617 -0.856) 12.841 4.436 ( -0.826 11.605 -2.349) 11.869 5.060 ( -5.851 13.656 1.099) 14.898 5.256 ( -1.877 -7.627 -5.834) 9.784 6.745 ( -3.846 -1.048 10.281) 11.027 8.308 ( -0.882 3.707 0.794) 3.893 8.379 ( -2.684 3.392 -2.313) 4.905 10.945 ( 1.895 -1.228 0.395) 2.292 11.036 ( 0.717 -2.910 0.662) 3.069 11.432 ( 1.599 -5.593 0.505) 5.839 12.337 ( -6.846 3.168 -4.451) 8.759 13.107 ( 2.616 3.306 1.502) 4.475 13.287 ( -1.347 -6.444 -3.948) 7.677 13.599 ( 3.709 1.911 1.567) 4.457 14.488 ( 6.489 3.000 5.147) 8.809 ======================= Grid point 56 (38/398) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -1.802 -8.371 -1.333) 8.665 3.187 ( 2.312 -13.611 4.152) 14.417 3.817 ( -0.925 -27.238 -6.953) 28.127 3.987 ( 8.924 3.262 5.364) 10.911 4.213 ( -2.303 8.420 -5.140) 10.130 4.772 ( -3.368 17.077 -0.334) 17.409 5.325 ( -1.021 -7.343 -2.025) 7.685 6.764 ( -2.623 0.725 4.866) 5.575 8.238 ( -0.618 5.137 0.250) 5.180 8.294 ( -0.974 3.199 -1.156) 3.538 10.995 ( 1.408 -2.174 0.458) 2.631 11.091 ( 0.141 -3.488 0.332) 3.506 11.549 ( 0.889 -8.044 0.436) 8.104 12.189 ( -3.474 4.948 -2.336) 6.482 13.081 ( 1.932 5.418 0.588) 5.782 13.363 ( -1.080 -9.253 -1.629) 9.457 13.611 ( 1.806 2.464 0.708) 3.136 14.516 ( 3.016 5.125 2.331) 6.387 ======================= Grid point 57 (39/398) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -0.000 2.490 0.000) 2.490 3.422 ( 0.000 -13.516 -0.000) 13.516 3.741 ( -0.000 15.385 0.000) 15.385 4.155 ( 0.000 -5.572 -0.000) 5.572 4.192 ( -0.000 6.470 0.000) 6.470 4.650 ( 0.000 -14.633 -0.000) 14.633 5.381 ( 0.000 -1.616 -0.000) 1.616 6.742 ( -0.000 2.414 0.000) 2.414 8.163 ( -0.000 4.474 0.000) 4.474 8.246 ( -0.000 2.075 0.000) 2.075 11.041 ( 0.000 -2.603 -0.000) 2.603 11.142 ( 0.000 -3.147 -0.000) 3.147 11.690 ( 0.000 -10.864 -0.000) 10.864 12.070 ( -0.000 7.708 0.000) 7.708 13.016 ( -0.000 5.195 0.000) 5.195 13.487 ( 0.000 -9.249 -0.000) 9.249 13.583 ( -0.000 3.450 0.000) 3.450 14.461 ( -0.000 5.998 0.000) 5.998 ======================= Grid point 66 (40/398) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -0.906 0.000 -1.440) 1.702 2.763 ( 7.055 -0.000 1.339) 7.181 3.235 ( -4.688 0.000 -9.801) 10.864 3.901 ( 11.658 -0.000 -0.575) 11.672 4.635 ( 1.064 -0.000 2.581) 2.792 5.102 ( -1.939 0.000 -3.578) 4.070 5.299 ( -3.942 0.000 -1.647) 4.272 6.715 ( -4.251 0.000 11.223) 12.001 8.363 ( -0.514 0.000 0.390) 0.645 8.430 ( -3.357 0.000 -2.087) 3.953 10.931 ( 1.901 -0.000 0.326) 1.928 10.992 ( 0.804 -0.000 0.794) 1.130 11.349 ( 1.821 -0.000 0.314) 1.848 12.377 ( -7.456 0.000 -4.972) 8.962 13.117 ( -1.583 0.000 1.369) 2.093 13.225 ( 2.711 -0.000 -4.108) 4.922 13.631 ( 3.566 -0.000 1.491) 3.865 14.533 ( 7.562 -0.000 6.066) 9.694 ======================= Grid point 67 (41/398) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -0.808 -22.340 -0.691) 22.365 2.880 ( 3.250 -5.983 1.524) 6.977 3.177 ( -2.846 -8.992 -6.761) 11.605 4.012 ( 6.786 -0.240 -0.324) 6.797 4.601 ( 0.768 9.419 1.409) 9.555 5.102 ( -1.461 -5.090 -0.872) 5.367 5.189 ( -1.972 8.535 -1.357) 8.864 6.746 ( -2.735 -1.263 5.632) 6.387 8.347 ( -0.330 1.982 0.579) 2.090 8.372 ( -1.672 1.709 -1.591) 2.872 10.959 ( 1.391 -0.420 0.504) 1.538 11.014 ( 0.271 -1.545 0.341) 1.605 11.392 ( 1.070 -2.913 0.362) 3.124 12.265 ( -4.175 0.980 -2.914) 5.185 13.130 ( -1.033 -3.633 1.092) 3.932 13.221 ( 1.718 1.593 -2.547) 3.461 13.664 ( 1.787 1.067 0.770) 2.219 14.627 ( 4.012 2.214 3.184) 5.580 ======================= Grid point 68 (42/398) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 0.000 -20.348 -0.000) 20.348 3.034 ( 0.000 -11.351 -0.000) 11.351 3.367 ( 0.000 -24.868 -0.000) 24.868 4.069 ( 0.000 -1.483 -0.000) 1.483 4.406 ( -0.000 18.015 0.000) 18.015 4.994 ( -0.000 15.394 0.000) 15.394 5.193 ( 0.000 -8.461 -0.000) 8.461 6.766 ( 0.000 -0.747 -0.000) 0.747 8.304 ( -0.000 4.217 0.000) 4.217 8.323 ( -0.000 2.487 0.000) 2.487 10.982 ( 0.000 -1.231 -0.000) 1.231 11.048 ( 0.000 -2.796 -0.000) 2.796 11.460 ( 0.000 -5.473 -0.000) 5.473 12.206 ( -0.000 2.274 0.000) 2.274 13.171 ( -0.000 4.646 0.000) 4.646 13.219 ( 0.000 -8.119 -0.000) 8.119 13.657 ( -0.000 1.869 0.000) 1.869 14.616 ( -0.000 4.354 0.000) 4.354 ======================= Grid point 80 (43/398) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 0.000 -0.000 -0.000) 0.000 2.861 ( 0.000 -0.000 -0.000) 0.000 3.071 ( 0.000 -0.000 -0.000) 0.000 4.049 ( 0.000 -0.000 -0.000) 0.000 4.685 ( 0.000 -0.000 -0.000) 0.000 5.049 ( 0.000 -0.000 -0.000) 0.000 5.239 ( 0.000 -0.000 -0.000) 0.000 6.740 ( 0.000 -0.000 -0.000) 0.000 8.361 ( 0.000 -0.000 -0.000) 0.000 8.368 ( 0.000 -0.000 -0.000) 0.000 10.968 ( 0.000 -0.000 -0.000) 0.000 11.006 ( 0.000 -0.000 -0.000) 0.000 11.379 ( 0.000 -0.000 -0.000) 0.000 12.233 ( 0.000 -0.000 -0.000) 0.000 13.093 ( 0.000 -0.000 -0.000) 0.000 13.242 ( 0.000 -0.000 -0.000) 0.000 13.686 ( 0.000 -0.000 -0.000) 0.000 14.683 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 147 (44/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 12.265 -0.000 33.605) 35.773 0.863 ( -11.087 0.000 42.187) 43.619 1.310 ( -35.910 0.000 63.763) 73.180 3.570 ( 0.142 -0.000 -0.483) 0.504 4.277 ( 7.830 -0.000 3.859) 8.729 5.546 ( 5.359 -0.000 -2.459) 5.897 5.792 ( 0.974 -0.000 -6.294) 6.369 6.257 ( -12.485 0.000 -0.164) 12.486 8.632 ( 1.886 -0.000 -1.011) 2.140 8.915 ( -11.866 0.000 -4.838) 12.814 10.843 ( -5.337 0.000 -3.179) 6.212 11.076 ( -1.561 0.000 6.466) 6.652 11.108 ( -0.122 0.000 0.087) 0.150 12.852 ( 0.182 -0.000 -8.424) 8.426 13.080 ( -0.855 0.000 1.022) 1.332 13.201 ( 3.382 -0.000 2.152) 4.008 13.735 ( 0.536 -0.000 -0.866) 1.018 13.817 ( -2.627 0.000 0.943) 2.791 ======================= Grid point 148 (45/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -5.074 -11.069 33.890) 36.011 1.158 ( 4.932 -10.963 32.622) 34.767 1.892 ( -6.997 -42.878 42.665) 60.892 3.572 ( -1.098 -1.039 -1.397) 2.058 4.469 ( 14.303 -0.305 10.488) 17.739 5.541 ( 0.531 5.711 -0.222) 5.740 5.729 ( 1.823 3.824 -5.793) 7.177 6.130 ( -9.005 -5.870 -6.921) 12.784 8.610 ( 1.324 3.548 -2.101) 4.331 8.766 ( -6.239 2.444 -0.637) 6.731 10.795 ( -2.365 -2.788 -1.992) 4.163 11.099 ( -1.463 -0.257 2.053) 2.534 11.148 ( 0.157 -4.092 3.316) 5.270 12.780 ( 1.262 2.262 -7.862) 8.278 13.086 ( -2.066 -2.291 0.597) 3.142 13.226 ( 1.439 3.326 2.420) 4.358 13.736 ( 0.909 -0.077 -0.553) 1.067 13.810 ( -3.419 -3.695 -0.198) 5.039 ======================= Grid point 149 (46/398) ======================= q-point: ( 0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 1.798 -20.087 23.199) 30.739 1.681 ( 11.332 -15.242 22.243) 29.249 2.733 ( -5.564 -45.896 25.358) 52.730 3.548 ( -1.736 0.160 -1.121) 2.073 4.795 ( 18.100 -2.307 15.133) 23.705 5.373 ( -7.345 11.358 1.492) 13.608 5.658 ( 1.953 3.529 -4.927) 6.367 6.107 ( -1.242 -8.634 -10.422) 13.590 8.533 ( 0.237 6.022 -3.116) 6.784 8.649 ( -2.059 5.931 -0.974) 6.354 10.819 ( -1.164 -4.933 -1.227) 5.215 11.094 ( -2.192 -1.136 0.149) 2.474 11.258 ( 0.881 -6.420 3.472) 7.352 12.704 ( 3.090 4.751 -5.596) 7.964 13.093 ( -3.301 -2.310 0.115) 4.030 13.178 ( -1.113 5.626 2.117) 6.113 13.764 ( 1.691 -1.943 0.367) 2.602 13.830 ( -3.690 -5.987 -1.265) 7.146 ======================= Grid point 150 (47/398) ======================= q-point: ( 0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 11.883 -14.081 14.770) 23.614 2.194 ( 6.718 -21.232 15.577) 27.177 3.354 ( -5.912 -23.278 3.351) 24.249 3.583 ( -2.498 -15.991 10.507) 19.296 4.992 ( -1.060 10.820 -6.951) 12.904 5.286 ( 4.914 -3.094 23.423) 24.132 5.596 ( 2.201 3.694 -3.232) 5.379 6.165 ( 3.828 -7.646 -9.363) 12.680 8.401 ( -1.042 7.820 -2.931) 8.416 8.532 ( 0.654 7.569 -2.366) 7.957 10.879 ( -0.611 -5.470 0.107) 5.505 11.081 ( -2.969 -1.864 -0.621) 3.560 11.403 ( 1.355 -8.772 2.425) 9.202 12.627 ( 4.726 8.931 -3.008) 10.542 13.031 ( -4.629 4.627 1.617) 6.741 13.125 ( -2.562 -0.790 -0.019) 2.682 13.830 ( -0.257 -4.414 0.807) 4.495 13.872 ( -1.026 -5.838 -1.378) 6.086 ======================= Grid point 151 (48/398) ======================= q-point: ( 0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 12.908 -2.977 9.956) 16.572 2.718 ( 5.138 -28.075 9.701) 30.145 3.372 ( -3.105 -0.473 -3.699) 4.852 4.040 ( -4.945 -27.456 13.627) 31.048 4.678 ( -6.788 13.105 -6.424) 16.096 5.435 ( -4.959 2.115 2.356) 5.884 5.693 ( 7.856 -4.975 7.276) 11.807 6.281 ( 7.403 -4.959 -0.515) 8.925 8.258 ( -0.163 7.136 -3.371) 7.893 8.411 ( 1.341 7.788 -3.571) 8.672 10.955 ( -0.104 -4.596 1.630) 4.878 11.065 ( -3.380 -2.013 -0.457) 3.961 11.578 ( 1.582 -11.255 1.176) 11.426 12.493 ( 3.147 14.684 -1.731) 15.117 12.938 ( -3.315 2.482 2.084) 4.636 13.106 ( -2.733 -1.094 -0.225) 2.953 13.880 ( -3.567 -6.538 -1.416) 7.582 13.951 ( 2.852 -2.863 1.307) 4.248 ======================= Grid point 152 (49/398) ======================= q-point: ( 0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 6.903 1.709 6.309) 9.506 3.249 ( 6.410 -27.314 5.111) 28.518 3.317 ( -1.184 0.153 -2.321) 2.610 4.148 ( -10.035 13.670 2.625) 17.160 4.603 ( -1.579 -14.772 5.377) 15.800 5.313 ( -5.362 3.690 -2.329) 6.913 5.798 ( -2.118 -2.838 -6.149) 7.096 6.485 ( 8.267 -2.176 12.222) 14.915 8.150 ( 1.435 4.714 -4.909) 6.956 8.300 ( 1.590 5.307 -4.352) 7.045 11.024 ( -0.433 -2.800 1.762) 3.336 11.054 ( -2.192 -1.412 1.798) 3.167 11.782 ( 1.610 -13.792 0.013) 13.886 12.270 ( -0.080 16.580 -1.413) 16.641 12.898 ( -2.229 0.809 0.502) 2.424 13.095 ( -0.403 0.061 1.689) 1.738 13.910 ( -3.466 -5.689 -2.130) 6.994 14.026 ( 3.031 -0.094 2.539) 3.955 ======================= Grid point 153 (50/398) ======================= q-point: (-0.50 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -1.800 5.006 3.180) 6.198 3.313 ( 1.098 -1.976 -0.838) 2.411 3.686 ( 1.515 -3.902 -0.168) 4.190 3.787 ( -3.578 5.839 4.090) 7.976 4.761 ( -6.790 -2.231 6.161) 9.436 5.248 ( 0.387 -4.373 -1.513) 4.643 5.639 ( -8.950 4.622 -13.059) 16.492 6.685 ( 4.026 0.888 15.503) 16.042 8.083 ( 2.632 1.483 -7.051) 7.671 8.251 ( 2.414 -0.200 -4.667) 5.259 11.030 ( -2.195 -0.498 1.421) 2.662 11.096 ( 0.813 -0.387 4.254) 4.349 11.981 ( -0.241 0.965 -1.189) 1.550 12.045 ( -0.267 -1.498 -1.000) 1.821 12.856 ( -2.138 0.354 -1.607) 2.698 13.123 ( 2.508 1.217 3.772) 4.690 13.918 ( -3.123 -3.275 -2.331) 5.090 14.064 ( 2.577 2.687 3.190) 4.903 ======================= Grid point 154 (51/398) ======================= q-point: (-0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -10.918 8.818 -0.331) 14.039 3.286 ( -10.505 26.282 5.774) 28.887 3.383 ( 3.282 -2.651 1.321) 4.421 4.034 ( 3.572 -6.605 -1.302) 7.621 4.677 ( -3.879 3.850 5.394) 7.679 5.259 ( -13.594 7.545 -20.638) 25.839 5.384 ( 2.509 -5.441 4.283) 7.365 6.784 ( -1.549 4.116 15.360) 15.977 8.077 ( 4.413 -3.312 -8.158) 9.849 8.291 ( 3.205 -5.252 -4.697) 7.741 11.020 ( -1.401 1.292 2.944) 3.507 11.132 ( 0.757 1.262 3.757) 4.035 11.759 ( -2.859 13.515 -1.245) 13.870 12.264 ( 1.367 -16.891 -1.430) 17.006 12.827 ( -0.224 -0.647 -1.935) 2.052 13.165 ( 3.242 2.538 3.896) 5.669 13.889 ( -2.810 -0.486 -2.404) 3.729 14.064 ( 2.034 4.928 3.606) 6.436 ======================= Grid point 155 (52/398) ======================= q-point: (-0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -17.767 12.146 -2.889) 21.715 2.800 ( -14.847 28.487 9.894) 33.612 3.481 ( 4.602 -1.585 2.039) 5.277 3.909 ( -7.223 23.395 7.117) 25.498 4.606 ( -0.035 10.861 -15.498) 18.925 4.942 ( -10.208 -13.482 -6.081) 17.971 5.519 ( 4.166 -3.599 1.758) 5.780 6.772 ( -6.423 6.207 14.120) 16.708 8.164 ( 6.833 -7.465 -7.739) 12.740 8.395 ( 3.338 -7.778 -3.780) 9.270 11.003 ( -0.962 2.926 4.191) 5.201 11.136 ( 0.129 2.263 2.462) 3.347 11.533 ( -3.073 11.519 -1.201) 11.982 12.508 ( 1.923 -15.502 -0.885) 15.646 12.843 ( 1.768 -2.366 -2.342) 3.769 13.184 ( 2.702 3.823 3.063) 5.594 13.831 ( -2.265 1.298 -2.263) 3.455 14.033 ( 1.476 6.371 3.803) 7.565 ======================= Grid point 156 (53/398) ======================= q-point: (-0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -22.705 13.619 -3.152) 26.663 2.251 ( -20.081 29.845 11.535) 37.777 3.319 ( -14.450 50.328 15.711) 54.668 3.561 ( 4.472 0.619 1.581) 4.783 4.322 ( -7.603 -3.665 -20.101) 21.801 5.119 ( 4.053 -12.527 -0.830) 13.192 5.619 ( 3.430 -3.109 -0.209) 4.634 6.683 ( -9.258 6.453 12.244) 16.651 8.321 ( 8.347 -8.488 -7.024) 13.822 8.528 ( 3.267 -7.836 -1.296) 8.588 10.977 ( -1.128 3.783 4.835) 6.242 11.112 ( -0.639 2.444 1.247) 2.817 11.340 ( -2.341 9.383 -0.875) 9.710 12.736 ( 3.219 -11.173 1.706) 11.752 12.890 ( 2.013 -4.654 -5.124) 7.209 13.171 ( 1.832 4.620 2.054) 5.378 13.772 ( -1.312 1.400 -1.750) 2.597 13.981 ( 0.750 6.808 3.655) 7.763 ======================= Grid point 157 (54/398) ======================= q-point: (-0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -26.220 14.284 -2.008) 29.926 1.638 ( -23.065 31.676 13.558) 41.463 2.467 ( -22.567 56.504 27.378) 66.719 3.599 ( 3.986 2.094 -0.074) 4.504 4.205 ( -3.810 -4.999 -10.195) 11.976 5.324 ( 7.061 -7.902 -2.598) 10.911 5.693 ( 2.219 -3.807 -2.044) 4.858 6.559 ( -10.604 5.441 9.649) 15.335 8.477 ( 7.494 -6.326 -6.724) 11.891 8.684 ( 4.884 -6.415 2.852) 8.552 10.941 ( -1.933 3.377 3.799) 5.438 11.074 ( -1.491 2.423 1.675) 3.302 11.206 ( -0.134 6.417 -0.017) 6.419 12.893 ( 1.769 -2.023 0.894) 2.833 12.967 ( 3.464 -9.536 -5.276) 11.436 13.135 ( 1.033 4.448 1.338) 4.758 13.739 ( -0.236 0.339 -1.130) 1.203 13.917 ( -0.247 5.988 3.082) 6.739 ======================= Grid point 158 (55/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -19.165 15.072 10.118) 26.397 1.043 ( -20.604 30.702 26.205) 45.320 1.680 ( -34.078 42.356 49.053) 73.222 3.599 ( 2.769 3.001 -2.011) 4.552 4.197 ( 1.877 -2.226 -2.382) 3.762 5.470 ( 7.229 -3.399 -3.772) 8.834 5.759 ( 2.492 -4.396 -2.822) 5.788 6.415 ( -11.738 3.617 5.626) 13.510 8.579 ( 4.666 -3.576 -4.008) 7.115 8.884 ( 7.783 -6.428 3.824) 10.794 10.898 ( -2.555 0.467 0.740) 2.701 11.051 ( -1.280 1.511 5.534) 5.878 11.146 ( 1.344 3.882 -0.659) 4.161 12.898 ( 0.035 -1.686 -6.532) 6.746 13.093 ( 1.066 1.331 0.649) 1.825 13.114 ( 3.540 -2.740 1.365) 4.680 13.734 ( 0.386 -0.300 -0.914) 1.037 13.857 ( -1.405 3.629 2.161) 4.451 ======================= Grid point 160 (56/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -8.636 0.000 39.528) 40.461 1.336 ( -1.254 0.000 34.725) 34.748 1.969 ( 12.689 -0.000 35.331) 37.540 3.546 ( -1.398 0.000 -0.203) 1.412 4.748 ( 16.613 -0.000 12.573) 20.835 5.573 ( -6.650 0.000 4.320) 7.930 5.774 ( 5.277 -0.000 -3.570) 6.372 5.891 ( -4.164 0.000 -16.029) 16.561 8.621 ( -1.692 0.000 -0.722) 1.839 8.730 ( -1.826 0.000 -0.674) 1.947 10.742 ( -0.455 0.000 -1.847) 1.903 11.084 ( -1.423 0.000 -1.196) 1.859 11.157 ( 0.220 -0.000 5.369) 5.374 12.775 ( 3.979 -0.000 -5.922) 7.135 13.044 ( -2.646 0.000 0.350) 2.669 13.267 ( -0.853 0.000 1.071) 1.369 13.729 ( -4.343 0.000 -0.866) 4.428 13.747 ( 1.354 -0.000 -0.145) 1.362 ======================= Grid point 161 (57/398) ======================= q-point: ( 0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 1.233 -10.097 29.187) 30.908 1.785 ( 4.657 -19.979 26.130) 33.221 2.462 ( 6.878 -15.591 25.052) 30.298 3.525 ( -1.828 0.101 0.291) 1.854 5.047 ( 13.400 -2.262 7.222) 15.389 5.403 ( -14.263 6.630 4.133) 16.262 5.718 ( 5.409 4.229 -9.409) 11.648 5.933 ( 6.396 -7.784 -4.008) 10.842 8.564 ( -2.633 3.021 -1.451) 4.262 8.690 ( -0.239 2.966 -1.556) 3.358 10.754 ( 0.872 -2.615 -0.838) 2.881 11.050 ( -2.270 -0.292 -1.884) 2.964 11.225 ( 0.648 -3.486 3.918) 5.284 12.787 ( 6.844 2.942 -2.947) 8.011 13.025 ( -2.642 -1.599 -0.267) 3.100 13.222 ( -3.625 2.937 0.059) 4.666 13.688 ( -4.982 -3.438 -1.356) 6.203 13.779 ( 2.484 -1.265 0.689) 2.871 ======================= Grid point 162 (58/398) ======================= q-point: ( 0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 8.070 -19.887 17.683) 27.809 2.311 ( 11.679 -12.523 18.786) 25.419 2.931 ( -3.875 -25.184 14.306) 29.222 3.521 ( -1.177 -2.104 2.930) 3.795 5.002 ( -7.485 8.785 -9.703) 15.078 5.385 ( -1.425 -5.297 11.173) 12.447 5.658 ( 5.100 2.158 -11.145) 12.445 6.139 ( 10.163 -4.316 7.991) 13.630 8.454 ( -2.586 5.499 -2.176) 6.455 8.614 ( 0.285 5.501 -2.662) 6.118 10.819 ( 1.690 -4.173 0.726) 4.561 11.012 ( -2.780 -1.189 -2.053) 3.654 11.329 ( 0.793 -6.204 2.498) 6.735 12.802 ( 7.990 6.747 -1.068) 10.512 13.005 ( -3.052 0.170 -0.689) 3.133 13.116 ( -4.300 2.856 0.252) 5.168 13.681 ( -5.217 -6.104 -1.897) 8.251 13.859 ( 3.908 -2.950 1.773) 5.208 ======================= Grid point 163 (59/398) ======================= q-point: ( 0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 11.258 -22.477 9.570) 26.898 2.672 ( 11.670 0.278 14.162) 18.353 3.215 ( -6.822 -13.485 0.865) 15.137 3.714 ( -1.601 -21.798 11.571) 24.731 4.692 ( -7.814 9.948 -8.671) 15.337 5.415 ( -6.684 2.980 3.238) 8.003 5.647 ( 3.205 -6.641 -13.580) 15.453 6.411 ( 9.713 -2.316 16.336) 19.146 8.322 ( -1.196 6.380 -3.052) 7.172 8.500 ( 0.065 7.110 -3.849) 8.085 10.917 ( 2.058 -4.306 2.061) 5.199 10.990 ( -2.686 -2.287 -0.911) 3.644 11.459 ( 0.755 -8.703 1.258) 8.826 12.712 ( 1.440 13.138 -2.893) 13.529 12.940 ( -2.055 1.800 0.194) 2.739 13.095 ( 1.177 -0.083 2.385) 2.661 13.702 ( -4.734 -7.775 -2.341) 9.399 13.976 ( 4.710 -2.954 2.618) 6.145 ======================= Grid point 164 (60/398) ======================= q-point: ( 0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 8.361 8.298 7.372) 13.897 2.994 ( 5.139 -22.662 5.505) 23.880 3.284 ( 1.777 -5.965 0.607) 6.254 4.118 ( -3.840 -16.177 9.622) 19.210 4.432 ( -5.582 1.551 -3.598) 6.820 5.246 ( -7.938 4.486 -5.994) 10.911 5.655 ( -2.137 -5.012 -10.012) 11.399 6.666 ( 5.411 -1.229 17.424) 18.287 8.202 ( 0.577 5.843 -4.496) 7.395 8.363 ( -0.041 6.750 -4.899) 8.341 10.978 ( -1.261 -2.563 -0.086) 2.858 11.037 ( 1.189 -3.614 4.050) 5.556 11.616 ( 0.724 -11.269 0.261) 11.296 12.465 ( -3.048 14.988 -3.328) 15.653 12.895 ( -0.839 2.151 -0.952) 2.497 13.156 ( 4.676 1.029 4.563) 6.614 13.745 ( -3.939 -8.027 -2.455) 9.272 14.086 ( 4.636 -1.027 2.943) 5.587 ======================= Grid point 165 (61/398) ======================= q-point: (-0.50 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -1.345 12.348 5.622) 13.634 3.234 ( 0.481 -8.598 -1.170) 8.690 3.594 ( 13.016 -16.542 3.219) 21.294 3.976 ( -5.703 17.699 0.845) 18.614 4.569 ( -9.495 -11.877 3.257) 15.551 5.097 ( -3.426 -7.689 -8.420) 11.906 5.559 ( -5.567 4.079 -5.630) 8.906 6.835 ( -0.219 0.199 15.576) 15.579 8.100 ( 1.852 4.403 -6.645) 8.183 8.254 ( 1.021 2.924 -5.327) 6.162 11.004 ( -0.825 -2.146 1.583) 2.791 11.127 ( 1.134 -1.880 4.397) 4.915 11.804 ( 0.828 -13.736 -0.336) 13.765 12.183 ( -3.813 14.692 -2.931) 15.459 12.849 ( 0.219 2.092 -1.515) 2.593 13.235 ( 5.355 2.281 5.130) 7.758 13.787 ( -3.396 -6.492 -2.380) 7.703 14.158 ( 3.875 1.609 2.862) 5.079 ======================= Grid point 166 (62/398) ======================= q-point: (-0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -7.885 16.845 3.152) 18.864 3.356 ( 2.923 -6.649 0.348) 7.272 3.594 ( -6.142 24.591 4.610) 25.762 3.988 ( 10.074 -8.709 -1.799) 13.438 4.478 ( -13.776 -9.386 -7.081) 18.111 5.216 ( 0.561 0.841 -8.030) 8.094 5.342 ( -5.807 2.372 5.403) 8.279 6.892 ( -5.969 2.241 13.678) 15.091 8.040 ( 3.961 -0.026 -8.178) 9.086 8.232 ( 2.421 -2.426 -5.164) 6.198 11.038 ( -0.128 -0.712 3.055) 3.140 11.180 ( 0.332 0.223 3.573) 3.595 11.899 ( -3.323 12.414 -2.016) 13.008 12.040 ( 1.100 -14.577 -0.801) 14.640 12.827 ( 1.773 1.064 -1.332) 2.460 13.293 ( 4.498 3.639 4.572) 7.374 13.803 ( -3.044 -3.775 -2.248) 5.345 14.181 ( 2.788 3.857 2.643) 5.444 ======================= Grid point 167 (63/398) ======================= q-point: (-0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -12.475 21.072 1.101) 24.513 3.140 ( -10.233 30.835 7.579) 33.360 3.506 ( 4.033 -5.224 3.506) 7.473 3.992 ( -2.125 1.351 -10.865) 11.153 4.578 ( -6.870 -13.323 -2.839) 15.256 4.838 ( -0.509 23.709 -1.276) 23.749 5.494 ( 1.477 -8.283 3.031) 8.943 6.839 ( -10.188 4.293 11.423) 15.896 8.088 ( 6.714 -6.094 -8.005) 12.095 8.297 ( 2.928 -6.809 -4.105) 8.473 11.061 ( -0.054 1.404 4.031) 4.269 11.185 ( -0.401 2.020 2.252) 3.052 11.660 ( -2.781 12.628 -1.514) 13.019 12.292 ( 2.156 -17.333 -0.590) 17.477 12.838 ( 2.438 -0.046 -1.246) 2.739 13.309 ( 3.023 4.902 3.440) 6.708 13.787 ( -2.374 -1.171 -1.866) 3.239 14.160 ( 1.599 5.414 2.392) 6.131 ======================= Grid point 168 (64/398) ======================= q-point: (-0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -14.723 23.453 1.773) 27.748 2.584 ( -13.834 34.419 8.900) 38.148 3.635 ( 4.350 -0.339 2.966) 5.275 3.877 ( -1.588 10.689 3.025) 11.222 4.126 ( -13.090 26.123 -4.073) 29.502 4.972 ( 7.530 -14.755 -2.938) 16.824 5.613 ( 1.539 -3.691 1.100) 4.147 6.711 ( -11.594 4.997 8.427) 15.179 8.237 ( 7.991 -9.378 -7.572) 14.462 8.428 ( 2.684 -9.635 -1.656) 10.138 11.053 ( -0.872 3.518 3.993) 5.393 11.154 ( -0.747 2.900 1.486) 3.343 11.456 ( -1.545 10.851 -0.641) 10.980 12.565 ( 2.694 -17.153 -1.511) 17.429 12.861 ( 2.011 -0.454 -0.947) 2.268 13.282 ( 1.393 5.611 2.121) 6.158 13.758 ( -1.124 0.339 -1.116) 1.619 14.105 ( 0.360 6.397 2.025) 6.720 ======================= Grid point 169 (65/398) ======================= q-point: (-0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -10.647 24.063 7.816) 27.450 1.980 ( -15.418 35.416 12.634) 40.640 3.279 ( -11.167 56.325 20.016) 60.810 3.658 ( 1.272 1.837 -1.892) 2.928 4.049 ( 3.159 -8.649 -0.965) 9.258 5.230 ( 6.283 -12.700 -4.099) 14.750 5.667 ( 1.154 -2.016 -0.895) 2.489 6.549 ( -11.208 4.991 4.577) 13.095 8.405 ( 6.923 -8.501 -7.377) 13.214 8.608 ( 1.856 -11.574 0.462) 11.731 10.995 ( -2.270 4.900 1.581) 5.627 11.119 ( -0.781 2.742 2.920) 4.081 11.308 ( -0.176 8.166 0.208) 8.171 12.774 ( 0.658 -10.962 -8.137) 13.668 12.918 ( 3.137 -4.361 4.501) 7.009 13.223 ( -0.044 5.384 1.091) 5.494 13.738 ( 0.170 0.683 -0.489) 0.857 14.020 ( -0.961 6.741 1.433) 6.959 ======================= Grid point 170 (66/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 6.406 17.419 21.671) 28.532 1.428 ( -15.514 32.160 22.582) 42.248 2.495 ( -12.520 58.263 31.251) 67.291 3.621 ( -0.464 1.141 -3.394) 3.610 4.238 ( 9.551 -3.126 6.219) 11.818 5.420 ( 3.913 -9.308 -3.491) 10.684 5.699 ( 0.996 -3.081 -3.286) 4.613 6.359 ( -10.313 5.386 -0.472) 11.645 8.530 ( 4.607 -6.088 -5.273) 9.278 8.764 ( -3.365 -9.712 -1.199) 10.349 10.895 ( -2.972 4.429 -0.825) 5.397 11.104 ( -1.198 1.756 4.327) 4.820 11.211 ( -0.063 5.936 0.319) 5.945 12.796 ( -0.203 -3.990 -8.818) 9.681 13.094 ( 2.852 -6.654 3.945) 8.244 13.153 ( -0.945 3.844 0.740) 4.027 13.733 ( 0.773 0.396 -0.480) 0.993 13.915 ( -2.323 5.995 0.632) 6.460 ======================= Grid point 173 (67/398) ======================= q-point: ( 0.17 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 3.646 -0.000 29.872) 30.093 1.795 ( 0.485 -0.000 24.047) 24.052 2.690 ( 12.085 -0.000 18.579) 22.164 3.508 ( -2.007 0.000 1.137) 2.307 5.186 ( 7.774 -0.000 -1.909) 8.005 5.236 ( -16.195 0.000 -4.921) 16.926 5.705 ( 3.151 -0.000 -11.362) 11.791 6.069 ( 12.590 -0.000 14.292) 19.046 8.536 ( -3.425 0.000 -1.476) 3.729 8.695 ( -0.121 0.000 -2.283) 2.286 10.754 ( 2.487 -0.000 0.242) 2.498 10.999 ( -2.384 0.000 -2.973) 3.811 11.236 ( 0.550 -0.000 3.243) 3.290 12.905 ( 10.262 -0.000 -0.598) 10.279 12.983 ( -1.532 0.000 -0.594) 1.643 13.175 ( -6.025 0.000 -1.682) 6.255 13.585 ( -5.736 0.000 -1.432) 5.912 13.816 ( 3.601 -0.000 1.803) 4.027 ======================= Grid point 174 (68/398) ======================= q-point: ( 0.25 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 7.767 -8.353 18.783) 21.975 2.208 ( 0.169 -25.463 21.423) 33.277 2.946 ( 9.179 0.994 12.798) 15.781 3.502 ( -1.383 -1.217 1.691) 2.501 4.933 ( -9.843 7.333 -10.069) 15.876 5.292 ( 0.653 -8.528 -4.501) 9.665 5.631 ( -0.144 2.715 -8.847) 9.255 6.361 ( 10.609 -1.058 19.219) 21.978 8.461 ( -2.942 2.726 -2.029) 4.495 8.649 ( -0.661 2.833 -3.324) 4.418 10.814 ( 3.281 -2.194 1.714) 4.302 10.951 ( -2.120 -0.470 -2.761) 3.513 11.286 ( 0.393 -3.237 2.244) 3.959 12.957 ( 2.132 2.496 -1.369) 3.556 12.991 ( 0.268 2.682 -3.203) 4.186 13.098 ( 1.251 0.248 1.997) 2.369 13.527 ( -5.925 -3.657 -1.660) 7.158 13.901 ( 5.389 -1.581 3.019) 6.376 ======================= Grid point 175 (69/398) ======================= q-point: ( 0.33 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 9.085 -17.088 9.981) 21.775 2.763 ( 0.404 -29.154 15.179) 32.872 3.069 ( 5.584 6.118 9.423) 12.546 3.566 ( 0.031 -8.286 2.544) 8.667 4.649 ( -6.338 7.338 -9.843) 13.817 5.375 ( -3.909 -6.673 0.658) 7.761 5.478 ( -1.840 3.642 -14.075) 14.654 6.632 ( 6.017 -1.120 19.335) 20.281 8.362 ( -1.432 4.565 -2.745) 5.516 8.548 ( -1.291 5.150 -4.586) 7.016 10.911 ( 2.129 -2.534 1.136) 3.499 10.929 ( -0.464 -2.441 0.436) 2.523 11.371 ( 0.296 -5.965 1.540) 6.168 12.801 ( -6.387 7.609 -5.790) 11.499 12.956 ( 1.091 1.661 -0.740) 2.121 13.193 ( 8.313 1.843 4.315) 9.546 13.519 ( -5.060 -6.745 -2.026) 8.672 14.033 ( 6.873 -2.068 3.639) 8.047 ======================= Grid point 176 (70/398) ======================= q-point: ( 0.42 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 5.006 -17.449 0.322) 18.156 3.068 ( -3.487 1.770 12.791) 13.376 3.227 ( 13.225 -8.483 6.006) 16.821 3.832 ( -0.838 -24.713 6.424) 25.548 4.408 ( -4.374 7.792 -7.897) 11.925 5.198 ( -8.815 10.636 -6.061) 15.085 5.458 ( -2.019 -8.936 -7.195) 11.649 6.829 ( 0.830 -0.561 16.935) 16.964 8.258 ( 0.300 5.553 -3.804) 6.738 8.407 ( -1.343 6.231 -5.743) 8.580 10.931 ( -0.356 -2.320 0.046) 2.348 11.034 ( 1.871 -4.031 4.028) 5.998 11.488 ( 0.492 -8.355 1.157) 8.449 12.548 ( -6.732 9.716 -5.619) 13.088 12.931 ( 1.757 3.273 -0.920) 3.827 13.297 ( 7.208 2.157 4.933) 8.997 13.558 ( -3.723 -8.368 -2.118) 9.401 14.168 ( 6.973 -0.540 3.253) 7.714 ======================= Grid point 177 (71/398) ======================= q-point: (-0.50 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -3.726 2.608 -0.166) 4.551 3.174 ( 3.821 -2.307 9.130) 10.163 3.566 ( 13.628 -13.545 2.109) 19.329 4.084 ( -2.835 4.485 -4.741) 7.115 4.324 ( -5.402 -13.729 6.276) 16.033 4.893 ( -7.991 3.197 -9.442) 12.776 5.479 ( -3.556 -3.325 -2.494) 5.470 6.926 ( -4.310 0.534 13.823) 14.489 8.150 ( 1.507 6.104 -5.550) 8.386 8.271 ( 0.089 4.427 -6.082) 7.523 10.977 ( 0.414 -2.913 1.704) 3.400 11.134 ( 0.483 -3.253 3.980) 5.163 11.641 ( 0.938 -10.774 0.832) 10.847 12.282 ( -5.586 11.063 -4.658) 13.240 12.899 ( 2.531 3.790 -0.875) 4.641 13.383 ( 5.667 2.482 4.994) 7.950 13.621 ( -3.111 -8.167 -1.970) 8.959 14.259 ( 5.698 1.875 2.226) 6.398 ======================= Grid point 178 (72/398) ======================= q-point: (-0.42 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -5.461 15.965 3.997) 17.340 3.317 ( 5.091 -4.429 2.679) 7.260 3.857 ( -3.253 13.860 -1.787) 14.348 3.965 ( 11.524 -17.242 1.139) 20.770 4.194 ( -13.901 11.273 -6.331) 18.984 5.005 ( 0.168 -22.288 -0.016) 22.289 5.405 ( -4.655 6.421 1.595) 8.089 6.924 ( -8.797 1.828 11.093) 14.275 8.053 ( 3.385 3.688 -7.079) 8.670 8.204 ( 1.943 0.455 -5.650) 5.992 11.042 ( 0.702 -2.429 2.829) 3.794 11.196 ( -0.652 -1.533 3.351) 3.742 11.832 ( 1.376 -13.240 0.460) 13.320 12.029 ( -3.889 11.588 -3.319) 12.666 12.878 ( 3.024 2.979 -0.623) 4.290 13.437 ( 4.098 3.719 4.323) 7.022 13.676 ( -2.915 -6.552 -1.531) 7.333 14.289 ( 3.742 3.837 1.214) 5.495 ======================= Grid point 179 (73/398) ======================= q-point: (-0.33 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -6.951 25.095 3.755) 26.309 3.470 ( 3.203 3.036 2.108) 4.891 3.558 ( -2.901 19.091 7.900) 20.863 3.836 ( -8.874 1.703 -13.527) 16.268 4.340 ( 5.780 -17.356 0.624) 18.304 5.140 ( -0.859 15.817 0.609) 15.852 5.358 ( -1.930 -13.348 5.070) 14.408 6.834 ( -11.288 3.423 8.287) 14.416 8.044 ( 5.772 -2.436 -7.094) 9.465 8.218 ( 2.671 -4.083 -4.818) 6.857 11.096 ( 0.111 -0.744 3.407) 3.489 11.212 ( -1.171 0.608 2.352) 2.697 11.797 ( -1.995 12.273 -1.540) 12.529 12.068 ( 1.471 -16.279 -0.532) 16.354 12.877 ( 2.623 1.750 -0.413) 3.180 13.439 ( 2.039 5.117 2.781) 6.171 13.713 ( -1.946 -4.048 -0.477) 4.517 14.266 ( 1.730 4.991 0.563) 5.312 ======================= Grid point 180 (74/398) ======================= q-point: (-0.25 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -6.031 28.352 5.369) 29.480 3.005 ( -8.114 35.179 5.146) 36.467 3.687 ( -2.585 -0.030 -5.172) 5.782 3.747 ( 6.511 -10.399 3.391) 12.729 4.489 ( -4.542 12.379 7.897) 15.370 4.924 ( 5.385 5.378 -0.578) 7.633 5.544 ( -0.468 -8.903 1.805) 9.097 6.687 ( -10.912 4.575 4.635) 12.708 8.146 ( 6.543 -7.805 -6.692) 12.187 8.308 ( 2.199 -8.296 -3.096) 9.124 11.107 ( -1.512 1.987 3.110) 3.988 11.192 ( -1.019 2.050 1.607) 2.797 11.602 ( -0.410 11.865 -0.205) 11.873 12.321 ( 1.188 -17.642 -2.118) 17.808 12.886 ( 1.725 0.521 0.308) 1.828 13.386 ( -0.207 5.785 1.108) 5.894 13.739 ( -0.244 -1.433 0.677) 1.604 14.202 ( -0.049 5.762 0.164) 5.765 ======================= Grid point 181 (75/398) ======================= q-point: (-0.17 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.519 25.558 11.379) 27.982 2.441 ( -7.206 36.684 7.878) 38.206 3.622 ( -2.172 -0.990 -5.156) 5.682 3.924 ( -3.730 18.641 6.658) 20.143 4.176 ( 8.465 17.129 19.343) 27.188 5.074 ( 3.730 -12.584 -3.173) 13.503 5.628 ( -0.619 -3.645 -0.543) 3.736 6.513 ( -8.584 5.268 -0.099) 10.073 8.298 ( 5.596 -9.438 -6.537) 12.772 8.448 ( 0.302 -10.849 -1.414) 10.945 11.045 ( -2.847 4.878 0.993) 5.735 11.164 ( -1.093 2.173 2.210) 3.287 11.447 ( 0.637 10.471 0.999) 10.538 12.539 ( 0.244 -14.736 -5.662) 15.789 12.926 ( 1.297 -2.679 2.921) 4.171 13.295 ( -1.849 5.521 0.143) 5.824 13.758 ( 1.145 0.602 1.064) 1.675 14.104 ( -1.601 6.499 -0.267) 6.699 ======================= Grid point 182 (76/398) ======================= q-point: (-0.08 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 10.436 16.171 19.009) 27.051 1.933 ( -4.552 34.791 14.090) 37.811 3.349 ( -7.797 48.339 17.705) 52.067 3.583 ( -2.121 0.049 -2.268) 3.106 4.459 ( 17.041 -0.811 16.358) 23.636 5.255 ( -1.206 -12.738 -1.908) 12.936 5.644 ( -0.421 -2.125 -2.922) 3.637 6.321 ( -5.373 6.546 -5.668) 10.190 8.438 ( 3.546 -8.301 -5.349) 10.493 8.577 ( -2.342 -9.670 -1.041) 10.003 10.931 ( -2.636 5.877 -0.663) 6.476 11.133 ( -1.841 1.895 1.882) 3.244 11.333 ( 0.947 8.674 2.166) 8.990 12.648 ( 0.491 -7.999 -7.419) 10.921 13.043 ( 0.289 -7.267 4.186) 8.391 13.195 ( -2.552 4.441 -0.124) 5.124 13.765 ( 1.786 1.794 0.697) 2.625 13.975 ( -2.945 6.874 -0.812) 7.522 ======================= Grid point 186 (77/398) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -2.651 0.000 13.136) 13.401 2.241 ( 6.631 -0.000 23.724) 24.633 3.184 ( 11.683 -0.000 8.665) 14.545 3.474 ( -2.089 0.000 -0.844) 2.253 4.801 ( -8.763 0.000 -7.637) 11.624 5.178 ( 2.784 -0.000 -11.155) 11.498 5.586 ( -3.562 0.000 -3.659) 5.106 6.613 ( 5.922 -0.000 20.005) 20.863 8.431 ( -2.324 0.000 -2.176) 3.183 8.625 ( -1.737 0.000 -4.329) 4.664 10.860 ( 3.617 -0.000 2.702) 4.515 10.907 ( -1.103 0.000 -2.324) 2.572 11.283 ( 0.191 -0.000 1.981) 1.990 12.901 ( -8.626 0.000 -6.498) 10.799 12.978 ( 2.492 -0.000 -1.058) 2.707 13.237 ( 11.055 -0.000 3.609) 11.629 13.411 ( -6.328 0.000 -1.392) 6.480 13.999 ( 7.729 -0.000 4.196) 8.795 ======================= Grid point 187 (78/398) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -1.364 -18.507 6.074) 19.526 2.576 ( 2.291 -12.560 22.756) 26.093 3.338 ( 9.688 4.667 5.379) 12.024 3.462 ( 0.059 -4.827 -4.709) 6.744 4.626 ( -3.725 6.418 -4.562) 8.711 5.182 ( 1.170 -7.901 -10.882) 13.498 5.467 ( -6.191 5.853 -1.235) 8.609 6.806 ( 0.711 -0.714 17.855) 17.884 8.375 ( -1.000 2.255 -2.499) 3.512 8.542 ( -2.356 2.587 -5.437) 6.465 10.891 ( 0.042 -0.540 -0.974) 1.114 10.939 ( 2.692 -2.020 3.317) 4.725 11.323 ( 0.314 -3.080 2.087) 3.734 12.715 ( -9.291 2.443 -7.259) 12.040 13.004 ( 3.947 1.342 -0.949) 4.275 13.335 ( -1.867 -0.856 0.383) 2.089 13.396 ( 5.446 -1.198 1.896) 5.889 14.148 ( 9.668 -0.535 4.313) 10.600 ======================= Grid point 188 (79/398) ======================= q-point: ( 0.42 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -0.064 -19.829 -0.875) 19.848 2.960 ( -3.096 -16.019 19.904) 25.737 3.462 ( 7.120 -6.543 6.314) 11.549 3.543 ( 5.576 -6.859 -6.406) 10.917 4.451 ( -1.408 10.242 -3.026) 10.772 5.198 ( -1.256 2.695 -13.563) 13.885 5.288 ( -6.898 -0.305 4.644) 8.321 6.923 ( -3.807 -0.755 14.362) 14.877 8.305 ( 0.445 4.074 -3.060) 5.115 8.416 ( -1.972 4.491 -6.339) 8.016 10.910 ( 0.937 -1.436 0.646) 1.832 11.028 ( 1.067 -3.384 3.349) 4.879 11.409 ( 0.659 -5.602 2.377) 6.121 12.501 ( -8.235 4.312 -6.984) 11.627 13.014 ( 4.245 3.512 -0.664) 5.549 13.345 ( -3.644 -6.004 -0.208) 7.027 13.490 ( 5.989 1.112 2.749) 6.683 14.297 ( 9.422 0.854 2.948) 9.909 ======================= Grid point 189 (80/398) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -2.066 -10.505 -2.723) 11.047 3.233 ( -2.452 -9.859 14.577) 17.768 3.654 ( 14.554 0.574 -3.877) 15.072 3.858 ( -0.706 -28.025 4.834) 28.448 4.251 ( -2.651 9.269 -1.624) 9.776 4.902 ( -6.223 15.660 -5.027) 17.585 5.345 ( -2.507 -7.828 -0.664) 8.246 6.954 ( -7.446 0.172 10.621) 12.973 8.218 ( 1.400 6.035 -4.224) 7.498 8.285 ( -0.065 4.282 -6.359) 7.667 10.962 ( 1.287 -2.450 1.795) 3.298 11.109 ( -0.461 -3.843 3.282) 5.075 11.532 ( 0.828 -7.758 2.047) 8.066 12.290 ( -5.921 6.015 -5.524) 10.087 13.000 ( 4.085 4.940 -0.426) 6.424 13.411 ( -2.719 -8.210 0.684) 8.676 13.552 ( 3.810 1.666 2.333) 4.768 14.388 ( 7.189 3.068 0.873) 7.864 ======================= Grid point 190 (81/398) ======================= q-point: (-0.42 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -3.299 0.162 0.433) 3.331 3.421 ( 2.247 -3.145 10.986) 11.646 3.740 ( 0.018 0.436 -7.766) 7.779 4.011 ( 7.736 -0.172 -3.094) 8.333 4.281 ( -5.910 3.828 5.862) 9.162 4.692 ( -2.284 -11.626 -0.111) 11.849 5.399 ( -2.274 -2.625 1.280) 3.702 6.904 ( -9.690 1.452 7.419) 12.290 8.113 ( 2.736 5.898 -5.609) 8.587 8.206 ( 2.061 2.449 -5.556) 6.412 11.032 ( 0.818 -3.006 2.225) 3.828 11.173 ( -1.487 -3.114 3.202) 4.707 11.682 ( 0.768 -10.372 1.029) 10.451 12.101 ( -2.962 8.031 -3.279) 9.166 12.972 ( 3.238 4.849 -0.314) 5.839 13.513 ( -1.389 -7.813 2.075) 8.202 13.570 ( 1.309 2.263 1.216) 2.883 14.402 ( 4.183 4.646 -0.874) 6.313 ======================= Grid point 191 (82/398) ======================= q-point: (-0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -4.081 16.515 2.596) 17.209 3.565 ( 7.718 3.266 4.521) 9.522 3.620 ( -7.055 -6.055 -3.405) 9.901 3.941 ( -4.198 27.600 3.193) 28.100 4.213 ( 6.490 -11.899 -1.287) 13.614 5.033 ( -0.254 -24.178 2.980) 24.362 5.369 ( -2.127 6.197 4.793) 8.118 6.796 ( -9.928 2.828 4.478) 11.253 8.055 ( 4.504 1.909 -5.609) 7.442 8.180 ( 2.967 -0.482 -5.232) 6.034 11.093 ( -0.518 -2.480 2.312) 3.430 11.207 ( -1.887 -1.366 2.619) 3.505 11.863 ( 0.341 -13.251 -0.456) 13.263 11.935 ( -0.086 10.125 -0.732) 10.152 12.940 ( 1.763 3.506 -0.207) 3.930 13.534 ( -0.501 4.171 0.595) 4.243 13.625 ( -0.442 -6.535 2.473) 7.002 14.354 ( 1.415 5.147 -1.733) 5.612 ======================= Grid point 192 (83/398) ======================= q-point: (-0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -2.591 25.022 4.173) 25.500 3.418 ( -5.211 24.752 -2.125) 25.384 3.558 ( -2.699 2.760 0.425) 3.883 3.855 ( 11.479 -3.434 10.497) 15.929 4.433 ( -0.535 -12.486 0.599) 12.512 5.197 ( 2.305 13.211 4.473) 14.137 5.380 ( -2.470 -12.872 5.221) 14.109 6.653 ( -8.065 4.233 0.702) 9.136 8.086 ( 4.864 -3.651 -5.164) 7.978 8.215 ( 2.925 -4.564 -4.449) 7.013 11.115 ( -2.478 -0.382 2.218) 3.348 11.207 ( -1.576 0.466 1.665) 2.339 11.779 ( 1.339 11.858 0.434) 11.941 12.074 ( 0.182 -15.741 -1.421) 15.806 12.917 ( 0.397 1.561 0.409) 1.662 13.450 ( -2.489 4.933 -0.571) 5.555 13.722 ( 0.948 -3.588 3.002) 4.773 14.270 ( -0.660 5.234 -1.867) 5.596 ======================= Grid point 193 (84/398) ======================= q-point: (-0.17 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 2.810 22.247 8.362) 23.932 2.942 ( -2.035 33.953 3.903) 34.237 3.525 ( -2.868 -2.409 -2.893) 4.733 4.121 ( 8.041 2.197 10.696) 13.561 4.545 ( -0.273 -3.620 5.647) 6.713 5.073 ( 3.174 11.996 10.068) 15.980 5.532 ( -1.859 -7.711 0.658) 7.959 6.492 ( -4.550 5.324 -4.246) 8.190 8.185 ( 3.656 -7.656 -4.761) 9.729 8.307 ( 1.959 -7.873 -3.288) 8.754 11.072 ( -3.442 2.982 1.305) 4.737 11.185 ( -1.716 1.347 1.211) 2.495 11.635 ( 1.952 12.129 1.435) 12.369 12.286 ( 0.046 -15.832 -3.290) 16.171 12.920 ( -0.523 -1.212 1.952) 2.357 13.332 ( -3.745 4.896 -1.084) 6.259 13.793 ( 1.910 -0.691 2.757) 3.424 14.160 ( -2.132 5.763 -1.854) 6.418 ======================= Grid point 194 (85/398) ======================= q-point: (-0.08 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 9.900 13.762 13.212) 21.494 2.492 ( 0.826 33.738 8.670) 34.844 3.498 ( -2.356 -1.443 -3.863) 4.749 3.960 ( -5.191 30.141 12.446) 33.020 4.777 ( 11.625 -8.798 5.596) 15.616 5.111 ( 0.451 1.150 15.909) 15.957 5.576 ( -1.555 -3.150 -1.956) 4.021 6.325 ( -0.370 6.560 -9.094) 11.219 8.305 ( 1.439 -8.876 -4.048) 9.861 8.424 ( 0.921 -8.721 -2.501) 9.119 10.978 ( -2.592 5.241 0.291) 5.855 11.143 ( -2.549 1.882 0.650) 3.234 11.507 ( 1.846 10.892 2.034) 11.233 12.468 ( 1.428 -12.587 -4.286) 13.373 12.971 ( -1.895 -4.877 3.214) 6.140 13.211 ( -3.906 3.938 -1.006) 5.637 13.831 ( 2.406 1.765 2.106) 3.653 14.023 ( -3.209 6.697 -2.034) 7.699 ======================= Grid point 199 (86/398) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -5.749 0.000 7.474) 9.429 2.701 ( 1.997 -0.000 20.809) 20.905 3.304 ( -4.490 0.000 -10.063) 11.019 3.567 ( 13.290 -0.000 1.655) 13.393 4.647 ( -0.912 0.000 2.266) 2.442 5.057 ( 2.458 -0.000 -11.500) 11.760 5.433 ( -6.542 0.000 0.867) 6.599 6.905 ( -4.121 0.000 14.674) 15.242 8.365 ( -0.155 0.000 -2.447) 2.452 8.484 ( -2.548 0.000 -5.967) 6.489 10.893 ( 1.232 -0.000 0.278) 1.263 10.975 ( 1.460 -0.000 2.906) 3.252 11.326 ( 0.588 -0.000 2.907) 2.966 12.556 ( -9.140 0.000 -7.730) 11.971 13.066 ( 5.369 -0.000 -0.955) 5.453 13.244 ( -5.444 0.000 -0.742) 5.495 13.519 ( 6.858 -0.000 3.041) 7.502 14.309 ( 11.211 -0.000 3.511) 11.748 ======================= Grid point 200 (87/398) ======================= q-point: ( 0.42 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -4.550 -19.563 4.518) 20.587 2.916 ( -2.204 -7.787 19.395) 21.016 3.224 ( -3.655 -8.177 -8.607) 12.421 3.731 ( 13.748 0.987 0.047) 13.783 4.599 ( 0.432 9.438 2.752) 9.840 5.056 ( 2.479 -5.886 -10.343) 12.156 5.314 ( -7.035 6.650 3.170) 10.186 6.936 ( -7.439 -0.915 10.426) 12.840 8.335 ( 0.782 1.986 -2.625) 3.384 8.394 ( -1.576 2.367 -6.049) 6.684 10.922 ( 1.738 -0.455 1.418) 2.289 11.019 ( 0.110 -1.927 2.420) 3.095 11.380 ( 0.552 -2.859 3.394) 4.471 12.386 ( -7.230 1.298 -6.887) 10.069 13.111 ( 5.172 2.187 -0.744) 5.664 13.210 ( -4.280 -4.187 0.024) 5.987 13.602 ( 4.366 1.150 2.753) 5.288 14.454 ( 9.972 1.322 1.150) 10.125 ======================= Grid point 201 (88/398) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -1.993 -18.403 0.598) 18.521 3.125 ( -4.480 -10.248 10.398) 15.271 3.397 ( -2.265 -25.027 3.247) 25.338 3.891 ( 12.642 -0.481 0.810) 12.677 4.425 ( -0.920 16.404 0.749) 16.447 5.015 ( -0.289 9.347 -7.214) 11.810 5.216 ( -3.821 -4.154 3.545) 6.665 6.911 ( -8.924 -0.928 6.083) 10.840 8.283 ( 1.139 4.690 -3.771) 6.125 8.297 ( 0.853 3.102 -5.049) 5.987 10.965 ( 1.251 -1.270 1.607) 2.401 11.071 ( -0.937 -3.326 2.609) 4.330 11.466 ( 0.041 -5.107 2.803) 5.826 12.244 ( -3.897 2.462 -4.671) 6.562 13.116 ( 3.993 4.255 -0.887) 5.902 13.259 ( -2.796 -7.740 1.531) 8.371 13.640 ( 2.149 1.871 2.361) 3.701 14.523 ( 6.734 3.443 -1.719) 7.756 ======================= Grid point 202 (89/398) ======================= q-point: (-0.42 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -0.606 -8.922 0.662) 8.967 3.288 ( -5.268 -13.136 4.396) 14.819 3.802 ( 4.021 -17.077 6.557) 18.729 4.059 ( 3.660 -0.667 -1.273) 3.932 4.184 ( -1.703 5.036 4.900) 7.230 4.760 ( -1.293 16.413 -1.733) 16.555 5.312 ( -0.577 -7.681 1.572) 7.862 6.840 ( -8.649 0.090 2.492) 9.001 8.188 ( 2.292 5.573 -5.104) 7.896 8.241 ( 2.700 3.664 -3.910) 6.000 11.012 ( 0.067 -2.443 1.248) 2.744 11.126 ( -1.865 -3.669 2.903) 5.036 11.568 ( -0.476 -7.412 1.453) 7.568 12.147 ( -0.044 4.434 -1.749) 4.766 13.077 ( 1.995 5.272 -0.889) 5.706 13.375 ( -1.232 -9.237 2.786) 9.726 13.638 ( 0.062 2.574 1.710) 3.091 14.500 ( 3.016 4.834 -3.883) 6.896 ======================= Grid point 203 (90/398) ======================= q-point: (-0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -0.884 2.801 1.356) 3.235 3.400 ( -6.974 -8.999 -1.061) 11.435 3.836 ( 4.876 11.714 6.565) 14.286 4.115 ( 1.548 -7.692 0.352) 7.854 4.254 ( -0.754 12.408 3.492) 12.912 4.714 ( -0.044 -18.000 5.252) 18.750 5.414 ( 0.733 -3.034 3.988) 5.064 6.738 ( -7.115 1.498 -0.552) 7.291 8.113 ( 3.598 4.328 -4.874) 7.445 8.201 ( 3.692 2.879 -4.328) 6.376 11.052 ( -1.510 -3.053 1.171) 3.602 11.170 ( -2.280 -2.949 2.592) 4.540 11.691 ( -0.797 -10.215 0.066) 10.246 12.078 ( 2.818 7.655 0.688) 8.186 13.010 ( 0.085 4.760 -0.472) 4.784 13.504 ( -1.246 -5.621 1.501) 5.950 13.609 ( -0.773 0.602 2.495) 2.680 14.413 ( 0.015 4.865 -4.604) 6.699 ======================= Grid point 204 (91/398) ======================= q-point: (-0.25 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -1.339 16.303 0.924) 16.384 3.375 ( -5.026 -2.894 -2.361) 6.262 3.862 ( 0.411 19.348 5.594) 20.145 4.015 ( 4.110 -3.603 3.100) 6.284 4.281 ( 1.195 -3.737 6.043) 7.205 5.075 ( -0.832 -21.710 4.039) 22.098 5.476 ( 2.573 4.526 9.724) 11.030 6.613 ( -4.913 2.959 -4.186) 7.100 8.085 ( 3.881 0.915 -4.472) 5.991 8.191 ( 4.069 0.203 -4.583) 6.132 11.075 ( -2.918 -2.259 1.521) 3.991 11.190 ( -2.281 -1.387 1.673) 3.150 11.839 ( -0.618 -11.635 -1.154) 11.708 12.001 ( 3.585 9.779 1.977) 10.602 12.947 ( -1.090 2.868 0.453) 3.101 13.457 ( -4.266 3.440 -1.661) 5.726 13.702 ( 1.287 -5.453 4.446) 7.152 14.301 ( -1.777 4.284 -4.074) 6.173 ======================= Grid point 205 (92/398) ======================= q-point: (-0.17 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 2.110 17.055 3.464) 17.531 3.312 ( -0.658 8.684 -1.660) 8.866 3.541 ( -1.985 18.513 3.402) 18.928 4.290 ( -0.962 -20.480 -1.793) 20.581 4.371 ( 3.234 4.088 13.152) 14.148 5.313 ( -0.763 -9.471 2.267) 9.769 5.515 ( 4.036 9.012 16.486) 19.217 6.473 ( -1.719 3.704 -8.560) 9.484 8.113 ( 3.023 -3.262 -4.059) 6.021 8.228 ( 3.593 -3.594 -4.347) 6.688 11.064 ( -3.313 0.238 1.842) 3.798 11.177 ( -2.633 0.182 0.557) 2.697 11.854 ( 3.103 11.566 1.137) 12.029 12.052 ( 0.119 -13.381 -0.929) 13.414 12.915 ( -1.595 0.456 1.804) 2.451 13.325 ( -5.424 3.930 -2.229) 7.059 13.818 ( 1.992 -3.101 3.901) 5.367 14.184 ( -2.677 4.437 -3.256) 6.120 ======================= Grid point 206 (93/398) ======================= q-point: (-0.08 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 7.767 9.967 7.422) 14.655 3.031 ( 3.324 29.616 5.206) 30.253 3.422 ( -2.714 -0.442 -2.360) 3.624 4.302 ( -7.520 9.697 10.643) 16.243 4.570 ( 1.731 -12.662 -3.148) 13.162 5.408 ( -1.494 -2.313 7.078) 7.595 5.581 ( 6.421 7.784 15.577) 18.560 6.344 ( 2.548 4.393 -10.374) 11.550 8.181 ( 1.448 -6.211 -3.709) 7.377 8.310 ( 2.537 -6.654 -3.830) 8.086 11.016 ( -2.265 3.225 1.664) 4.278 11.132 ( -3.248 1.176 -0.045) 3.454 11.718 ( 2.523 12.961 1.325) 13.271 12.261 ( 1.417 -15.380 -1.698) 15.539 12.920 ( -2.247 -1.735 2.815) 3.998 13.193 ( -5.035 2.836 -1.845) 6.066 13.895 ( 2.341 -0.066 3.150) 3.925 14.054 ( -3.121 5.638 -2.850) 7.046 ======================= Grid point 212 (94/398) ======================= q-point: ( 0.42 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -5.711 0.000 7.531) 9.452 2.962 ( -4.766 0.000 17.326) 17.970 3.077 ( -1.284 0.000 -4.924) 5.088 3.887 ( 11.437 -0.000 -0.975) 11.479 4.704 ( -0.529 0.000 3.606) 3.645 4.975 ( 4.026 -0.000 -8.923) 9.789 5.312 ( -5.255 0.000 2.890) 5.998 6.885 ( -9.098 0.000 5.443) 10.601 8.340 ( 1.111 -0.000 -2.619) 2.845 8.357 ( -0.141 0.000 -4.968) 4.970 10.954 ( 1.420 -0.000 1.896) 2.369 11.017 ( -0.503 0.000 1.550) 1.629 11.390 ( -0.197 0.000 3.693) 3.699 12.274 ( -4.200 0.000 -5.133) 6.632 13.132 ( -2.420 0.000 -0.558) 2.484 13.187 ( 3.578 -0.000 1.111) 3.747 13.669 ( 2.100 -0.000 2.188) 3.032 14.575 ( 7.802 -0.000 -1.926) 8.036 ======================= Grid point 213 (95/398) ======================= q-point: (-0.50 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -3.699 -19.016 5.864) 20.240 3.032 ( -5.577 -3.640 9.608) 11.690 3.163 ( -0.260 -12.423 8.458) 15.031 4.004 ( 7.327 -0.768 -0.444) 7.381 4.629 ( -1.342 10.784 0.992) 10.912 5.003 ( 4.703 -3.471 -7.744) 9.703 5.232 ( -4.158 5.816 4.569) 8.485 6.808 ( -8.366 -1.524 0.434) 8.514 8.310 ( 1.486 2.636 -4.304) 5.261 8.327 ( 1.839 1.528 -2.503) 3.461 10.976 ( 0.103 -0.105 1.173) 1.182 11.035 ( -1.055 -2.178 1.693) 2.954 11.427 ( -1.220 -2.565 3.048) 4.166 12.214 ( 0.065 0.815 -2.110) 2.263 13.132 ( -1.057 -3.007 -0.899) 3.312 13.225 ( 1.933 0.923 2.966) 3.659 13.689 ( 0.079 0.987 1.585) 1.869 14.606 ( 3.995 2.155 -5.213) 6.913 ======================= Grid point 214 (96/398) ======================= q-point: (-0.42 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -0.316 -18.775 2.762) 18.979 3.099 ( -6.558 -7.570 6.567) 11.977 3.521 ( -0.837 -24.781 13.018) 28.004 4.065 ( -0.645 -0.598 0.431) 0.980 4.423 ( 0.733 15.603 1.624) 15.704 4.958 ( 2.745 11.367 -4.215) 12.430 5.225 ( 0.374 -5.497 3.958) 6.784 6.730 ( -6.207 -1.849 -3.644) 7.432 8.250 ( 2.611 4.415 -4.543) 6.852 8.307 ( 3.174 3.170 -2.251) 5.019 10.984 ( -1.113 -1.283 0.452) 1.758 11.072 ( -1.888 -3.270 2.114) 4.327 11.479 ( -1.882 -4.866 1.870) 5.542 12.214 ( 3.962 2.363 0.823) 4.686 13.130 ( -0.275 1.500 -2.188) 2.667 13.295 ( 0.334 -4.821 5.575) 7.378 13.667 ( -1.878 1.833 0.782) 2.738 14.538 ( 0.152 3.572 -7.447) 8.261 ======================= Grid point 215 (97/398) ======================= q-point: (-0.33 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 2.011 -7.691 2.077) 8.216 3.181 ( -7.370 -9.928 3.842) 12.948 3.810 ( -10.076 -8.308 -6.316) 14.507 4.110 ( -1.726 -11.154 14.937) 18.722 4.338 ( 3.474 5.254 7.400) 9.718 4.779 ( 4.450 13.269 -0.154) 13.996 5.389 ( 3.655 -7.829 4.929) 9.947 6.646 ( -4.165 -0.816 -6.885) 8.088 8.184 ( 3.421 4.771 -4.881) 7.635 8.280 ( 4.335 4.470 -2.610) 6.751 10.996 ( -2.042 -2.470 0.639) 3.268 11.111 ( -2.408 -3.554 2.089) 4.774 11.552 ( -1.896 -7.415 0.836) 7.699 12.238 ( 6.019 5.494 2.374) 8.488 13.061 ( -1.475 4.144 -1.034) 4.518 13.429 ( -0.161 -6.288 4.365) 7.656 13.611 ( -3.126 1.215 0.593) 3.406 14.411 ( -2.425 3.389 -7.711) 8.765 ======================= Grid point 216 (98/398) ======================= q-point: (-0.25 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 0.936 8.106 -0.241) 8.163 3.239 ( -5.988 -6.697 2.144) 9.236 3.754 ( -8.955 -14.035 -5.238) 17.453 4.185 ( -2.844 12.977 5.440) 14.355 4.413 ( 0.560 -1.435 11.217) 11.322 4.858 ( 5.686 -10.980 6.262) 13.861 5.601 ( 6.053 -4.651 10.921) 13.324 6.538 ( -2.962 0.673 -10.309) 10.747 8.130 ( 3.819 3.561 -5.070) 7.278 8.249 ( 4.804 4.247 -3.341) 7.230 11.014 ( -2.402 -2.775 1.437) 3.942 11.139 ( -2.991 -2.779 1.472) 4.340 11.662 ( -1.250 -10.246 0.213) 10.324 12.223 ( 5.882 9.950 2.389) 11.804 12.978 ( -2.082 3.594 0.417) 4.174 13.424 ( -5.463 2.548 -2.009) 6.354 13.664 ( 0.722 -6.683 4.941) 8.343 14.279 ( -3.305 2.357 -6.194) 7.405 ======================= Grid point 217 (99/398) ======================= q-point: (-0.17 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 1.001 12.728 -0.113) 12.767 3.278 ( -2.077 -4.022 0.806) 4.598 3.871 ( -10.763 -17.807 -2.360) 20.940 3.912 ( -0.154 20.417 2.212) 20.537 4.558 ( 1.904 -3.076 12.540) 13.051 5.129 ( 1.021 -12.750 3.514) 13.265 5.815 ( 5.891 2.434 17.653) 18.768 6.406 ( -0.757 0.505 -13.337) 13.368 8.103 ( 3.557 0.919 -5.120) 6.302 8.233 ( 4.405 1.853 -3.928) 6.186 11.034 ( -2.188 -1.688 2.379) 3.647 11.134 ( -3.588 -1.192 0.532) 3.818 11.818 ( -0.031 -12.663 -0.143) 12.664 12.133 ( 4.224 13.279 1.555) 14.021 12.924 ( -1.803 1.721 1.869) 3.116 13.278 ( -6.808 3.140 -3.191) 8.149 13.811 ( 1.703 -5.687 4.717) 7.582 14.167 ( -3.226 2.234 -4.351) 5.859 ======================= Grid point 218 (100/398) ======================= q-point: (-0.08 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 4.104 6.709 3.114) 8.459 3.306 ( 0.683 -0.743 -0.462) 1.110 3.573 ( 1.427 25.899 2.525) 26.060 4.025 ( -12.381 -20.663 -0.136) 24.089 4.682 ( 2.423 4.034 9.329) 10.449 5.284 ( -2.690 -8.106 1.218) 8.628 5.886 ( -0.237 7.290 8.747) 11.389 6.363 ( 6.210 -0.266 -3.223) 7.002 8.112 ( 2.624 -2.248 -5.080) 6.144 8.250 ( 3.219 -1.967 -4.163) 5.618 11.040 ( -1.309 0.760 3.061) 3.414 11.098 ( -3.587 0.117 0.029) 3.589 11.945 ( 3.000 9.338 0.220) 9.810 12.056 ( 0.390 -9.863 -0.172) 9.872 12.907 ( -1.764 0.229 2.369) 2.963 13.144 ( -5.121 1.613 -2.023) 5.737 13.929 ( 1.891 -2.729 3.799) 5.045 14.060 ( -2.839 3.531 -3.151) 5.518 ======================= Grid point 225 (101/398) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -4.280 0.000 9.093) 10.050 3.012 ( -10.265 0.000 13.885) 17.267 3.165 ( 4.812 -0.000 9.159) 10.346 4.051 ( 1.022 -0.000 0.476) 1.127 4.679 ( -2.975 0.000 -0.651) 3.045 4.991 ( 6.413 -0.000 -5.495) 8.445 5.276 ( -1.465 0.000 3.743) 4.020 6.685 ( -5.972 0.000 -5.407) 8.056 8.331 ( 1.510 -0.000 -2.907) 3.276 8.342 ( 3.535 -0.000 -2.502) 4.331 10.976 ( -1.488 0.000 0.821) 1.700 11.014 ( -1.048 0.000 0.835) 1.340 11.409 ( -2.414 0.000 2.886) 3.763 12.243 ( 4.368 -0.000 0.979) 4.476 13.097 ( -0.455 0.000 0.218) 0.505 13.273 ( 0.644 -0.000 3.312) 3.374 13.695 ( -1.757 0.000 0.763) 1.916 14.593 ( 0.093 -0.000 -8.603) 8.604 ======================= Grid point 226 (102/398) ======================= q-point: (-0.42 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -2.538 -18.536 6.906) 19.943 2.996 ( -11.285 -3.091 11.814) 16.628 3.376 ( 1.957 -9.448 11.715) 15.177 4.028 ( -6.463 -0.052 1.921) 6.743 4.588 ( -1.121 6.690 0.571) 6.807 5.053 ( 6.991 -0.039 -4.673) 8.409 5.270 ( 1.485 3.366 5.730) 6.809 6.585 ( -3.221 -2.335 -10.238) 10.984 8.305 ( 2.237 2.916 -3.525) 5.092 8.371 ( 4.636 1.373 -1.679) 5.118 10.958 ( -1.935 -0.189 0.442) 1.994 11.022 ( -1.719 -2.188 1.083) 2.986 11.413 ( -2.965 -2.441 2.450) 4.555 12.326 ( 7.355 1.236 3.012) 8.043 13.106 ( -0.279 -1.017 -1.171) 1.576 13.308 ( -0.462 -0.904 5.854) 5.942 13.657 ( -3.586 1.110 -0.224) 3.761 14.484 ( -3.365 1.460 -10.607) 11.224 ======================= Grid point 227 (103/398) ======================= q-point: (-0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 0.849 -21.301 3.001) 21.528 3.013 ( -10.919 -6.659 10.438) 16.508 3.518 ( -9.506 -5.899 -2.045) 11.373 3.984 ( -10.530 -7.004 9.472) 15.801 4.536 ( 2.441 5.656 7.706) 9.866 5.022 ( 6.963 10.301 -2.854) 12.757 5.398 ( 6.738 -5.985 8.466) 12.365 6.502 ( -1.945 -2.848 -13.663) 14.092 8.255 ( 3.046 4.260 -4.317) 6.787 8.383 ( 5.340 3.808 -1.876) 6.822 10.950 ( -1.700 -1.295 0.894) 2.317 11.045 ( -2.596 -3.214 1.373) 4.354 11.446 ( -2.670 -4.917 1.985) 5.937 12.418 ( 8.476 3.842 3.352) 9.892 13.074 ( -1.781 2.074 -1.459) 3.098 13.394 ( -0.383 -3.976 6.093) 7.286 13.576 ( -5.033 1.117 -0.816) 5.220 14.328 ( -4.990 1.144 -10.152) 11.370 ======================= Grid point 228 (104/398) ======================= q-point: (-0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 1.945 -5.655 -0.190) 5.983 3.083 ( -7.183 -8.135 9.056) 14.135 3.367 ( -15.242 -9.374 -8.450) 19.789 4.088 ( -13.405 -14.641 9.664) 22.078 4.535 ( -0.011 8.583 8.496) 12.077 5.000 ( 10.620 4.895 1.791) 11.830 5.692 ( 8.779 -8.223 14.205) 18.614 6.393 ( -2.334 -1.720 -16.658) 16.909 8.196 ( 3.725 4.563 -5.141) 7.818 8.364 ( 5.417 5.649 -2.727) 8.288 10.968 ( -1.203 -2.182 1.767) 3.055 11.065 ( -3.541 -3.237 1.415) 5.002 11.522 ( -1.813 -7.711 1.493) 8.061 12.458 ( 7.769 8.317 2.304) 11.612 13.000 ( -2.348 3.095 -0.038) 3.886 13.370 ( -6.834 3.060 -2.561) 7.913 13.609 ( 0.230 -7.228 5.555) 9.119 14.191 ( -4.597 -0.203 -7.558) 8.849 ======================= Grid point 229 (105/398) ======================= q-point: (-0.17 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -2.243 9.293 -2.381) 9.852 3.192 ( -2.912 -7.768 5.518) 9.963 3.394 ( -12.293 -20.733 -3.606) 24.372 4.143 ( -6.522 1.736 4.220) 7.960 4.497 ( -3.902 -4.018 9.021) 10.618 5.130 ( 7.937 -1.171 3.801) 8.878 5.986 ( 1.010 -2.092 12.342) 12.558 6.275 ( 2.478 -4.058 -12.736) 13.595 8.141 ( 3.941 3.693 -5.989) 8.065 8.320 ( 4.890 5.732 -3.599) 8.350 11.006 ( -0.697 -2.323 2.522) 3.498 11.068 ( -3.976 -2.202 1.510) 4.790 11.646 ( -0.956 -10.829 0.812) 10.901 12.396 ( 5.519 13.432 0.692) 14.538 12.943 ( -1.769 2.029 1.188) 2.943 13.204 ( -7.326 2.738 -3.479) 8.560 13.775 ( 1.420 -7.416 5.513) 9.349 14.101 ( -3.554 -0.547 -4.896) 6.075 ======================= Grid point 230 (106/398) ======================= q-point: (-0.08 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -2.526 3.898 -0.109) 4.646 3.290 ( 1.611 -2.395 1.271) 3.153 3.536 ( -13.292 -23.167 0.711) 26.719 3.960 ( 1.763 18.680 1.199) 18.801 4.677 ( -4.939 -12.835 9.781) 16.876 5.242 ( 3.923 0.057 2.672) 4.747 5.858 ( -9.851 2.092 -12.999) 16.444 6.464 ( 7.907 -4.471 12.102) 15.131 8.099 ( 3.516 1.547 -6.737) 7.755 8.275 ( 3.830 3.653 -4.191) 6.751 11.045 ( -2.015 -1.836 1.576) 3.149 11.061 ( -1.446 -0.352 3.320) 3.638 11.815 ( -0.760 -13.691 -0.088) 13.712 12.234 ( 2.971 16.148 -0.533) 16.428 12.903 ( -2.610 1.067 0.039) 2.820 13.098 ( -2.594 0.465 -0.109) 2.638 13.923 ( 1.261 -4.982 4.036) 6.535 14.033 ( -2.401 0.482 -2.854) 3.761 ======================= Grid point 238 (107/398) ======================= q-point: (-0.42 -0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -4.419 0.000 9.075) 10.094 2.901 ( -15.481 0.000 13.412) 20.483 3.428 ( 0.888 -0.000 8.316) 8.363 3.925 ( -12.858 0.000 2.499) 13.099 4.632 ( 0.562 -0.000 2.986) 3.038 5.119 ( 8.005 -0.000 -1.792) 8.203 5.378 ( 4.141 -0.000 6.100) 7.373 6.440 ( -0.878 0.000 -15.944) 15.968 8.325 ( 1.985 -0.000 -3.283) 3.836 8.436 ( 6.000 -0.000 -1.490) 6.182 10.939 ( -1.749 0.000 1.066) 2.049 10.988 ( -2.019 0.000 0.507) 2.082 11.377 ( -3.358 0.000 2.989) 4.496 12.468 ( 9.278 -0.000 3.839) 10.040 13.088 ( -0.204 0.000 -1.402) 1.417 13.338 ( -1.259 0.000 6.999) 7.111 13.604 ( -5.311 0.000 -1.495) 5.517 14.344 ( -5.965 0.000 -12.049) 13.444 ======================= Grid point 239 (108/398) ======================= q-point: (-0.33 -0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -4.493 -19.529 5.952) 20.904 2.841 ( -17.325 -5.750 14.105) 23.069 3.416 ( -5.789 4.599 -1.383) 7.522 3.791 ( -16.403 -5.180 5.286) 17.996 4.682 ( 3.055 2.427 8.201) 9.081 5.185 ( 7.235 3.554 -1.928) 8.289 5.515 ( 8.057 -2.131 10.809) 13.649 6.316 ( -0.497 -2.595 -19.462) 19.640 8.308 ( 2.762 2.480 -3.762) 5.285 8.485 ( 6.116 2.247 -1.869) 6.779 10.933 ( -0.890 -0.137 1.515) 1.762 10.981 ( -2.854 -2.190 1.018) 3.739 11.377 ( -3.124 -2.480 3.037) 5.013 12.601 ( 9.769 2.167 3.189) 10.502 13.062 ( -1.534 0.879 -1.721) 2.468 13.396 ( -0.991 -1.445 6.858) 7.078 13.503 ( -6.642 0.308 -2.229) 7.013 14.177 ( -6.309 -0.432 -10.665) 12.399 ======================= Grid point 240 (109/398) ======================= q-point: (-0.25 -0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -5.293 -24.441 1.580) 25.057 2.874 ( -15.835 -14.359 10.281) 23.719 3.166 ( -9.336 9.805 -2.463) 13.761 3.762 ( -16.965 -12.220 6.583) 21.919 4.719 ( 2.140 6.997 6.881) 10.044 5.192 ( 7.812 4.683 -0.808) 9.144 5.806 ( 8.088 -7.487 16.216) 19.606 6.186 ( -1.269 -2.806 -20.946) 21.171 8.268 ( 3.728 4.203 -4.649) 7.292 8.489 ( 5.610 4.873 -2.787) 7.937 10.946 ( -0.895 -1.484 1.488) 2.285 10.993 ( -2.812 -2.558 2.429) 4.511 11.417 ( -2.647 -5.223 2.321) 6.299 12.680 ( 8.937 6.065 1.390) 10.890 13.005 ( -2.116 1.949 -0.764) 2.977 13.300 ( -8.433 3.687 -3.919) 10.003 13.559 ( 0.482 -6.653 6.780) 9.511 14.055 ( -4.832 -2.012 -7.361) 9.032 ======================= Grid point 241 (110/398) ======================= q-point: (-0.17 -0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -10.073 0.727 -1.328) 10.186 2.843 ( -17.413 -20.536 -1.857) 26.989 3.171 ( 1.978 -9.168 8.196) 12.456 3.834 ( -17.227 -20.552 8.475) 28.125 4.638 ( 2.926 11.476 1.423) 11.929 5.256 ( 6.796 0.736 2.515) 7.284 5.901 ( -8.741 0.590 -13.870) 16.405 6.251 ( 8.846 -9.260 10.356) 16.469 8.210 ( 4.396 5.150 -5.845) 8.944 8.444 ( 4.867 6.679 -3.718) 9.062 10.970 ( -2.293 -2.920 1.481) 3.997 11.023 ( -1.037 -1.758 3.790) 4.304 11.497 ( -2.251 -8.368 1.068) 8.732 12.652 ( 6.241 11.814 -0.856) 13.388 12.949 ( -2.267 1.915 -0.574) 3.023 13.131 ( -6.026 1.914 -2.379) 6.755 13.728 ( 1.355 -7.632 6.251) 9.958 13.995 ( -3.360 -2.736 -4.608) 6.326 ======================= Grid point 242 (111/398) ======================= q-point: (-0.08 -0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -12.281 -0.274 -3.829) 12.867 3.024 ( -14.185 -25.022 6.189) 29.421 3.333 ( 4.472 -1.682 1.911) 5.146 4.016 ( -9.481 -14.707 6.407) 18.634 4.569 ( 2.843 1.275 1.975) 3.689 5.347 ( 4.343 0.745 4.158) 6.059 5.591 ( -12.849 2.569 -21.394) 25.088 6.567 ( 3.966 -7.323 15.916) 17.963 8.142 ( 4.610 5.003 -7.175) 9.888 8.370 ( 4.050 6.857 -4.313) 9.057 10.995 ( -2.574 -2.695 2.325) 4.393 11.074 ( 0.394 -1.524 3.918) 4.222 11.615 ( -2.258 -11.471 -0.166) 11.692 12.492 ( 2.696 15.868 -1.955) 16.213 12.878 ( -2.543 1.739 -1.910) 3.625 13.092 ( 0.340 -0.891 1.857) 2.087 13.885 ( 0.433 -5.700 3.395) 6.648 13.973 ( -1.523 -2.851 -1.506) 3.566 ======================= Grid point 251 (112/398) ======================= q-point: (-0.33 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -10.176 0.000 5.918) 11.772 2.670 ( -21.897 0.000 16.635) 27.499 3.410 ( -2.286 0.000 -2.894) 3.687 3.524 ( -22.171 0.000 2.761) 22.343 4.815 ( 4.291 -0.000 8.872) 9.855 5.281 ( 5.124 -0.000 -0.999) 5.221 5.688 ( 8.408 -0.000 13.009) 15.490 6.132 ( 0.116 -0.000 -22.235) 22.235 8.335 ( 3.335 -0.000 -3.674) 4.962 8.561 ( 5.870 -0.000 -2.302) 6.305 10.929 ( -3.473 0.000 1.032) 3.623 10.948 ( 0.319 -0.000 2.428) 2.449 11.344 ( -3.482 0.000 3.228) 4.748 12.760 ( 9.923 -0.000 1.910) 10.105 13.035 ( -1.752 0.000 -1.667) 2.419 13.374 ( -8.991 0.000 -5.152) 10.363 13.445 ( 0.304 -0.000 8.304) 8.309 14.020 ( -5.533 0.000 -8.574) 10.204 ======================= Grid point 252 (113/398) ======================= q-point: (-0.25 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -13.236 -21.710 1.388) 25.465 2.569 ( -24.057 -7.542 16.692) 30.237 3.173 ( -15.509 7.281 2.239) 17.279 3.453 ( -8.994 -8.344 -0.791) 12.294 4.896 ( 4.273 5.202 5.751) 8.855 5.290 ( 2.138 1.169 -3.609) 4.354 5.900 ( 1.475 -0.039 2.116) 2.579 6.015 ( 5.227 -5.844 -5.759) 9.729 8.334 ( 4.386 2.654 -4.151) 6.596 8.588 ( 5.003 2.761 -3.038) 6.472 10.905 ( -3.534 -1.316 1.866) 4.208 10.984 ( 0.817 -0.810 2.912) 3.131 11.339 ( -3.760 -2.718 2.266) 5.163 12.865 ( 9.096 3.264 -0.302) 9.669 12.995 ( -1.618 1.030 -1.028) 2.176 13.199 ( -9.041 2.104 -5.119) 10.601 13.547 ( 1.115 -3.983 7.733) 8.770 13.920 ( -3.809 -1.717 -5.571) 6.964 ======================= Grid point 253 (114/398) ======================= q-point: (-0.17 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -17.156 -24.717 -1.928) 30.149 2.505 ( -20.037 -7.643 6.274) 22.344 3.059 ( -14.904 -14.543 14.424) 25.332 3.466 ( -6.408 -7.808 -0.339) 10.106 4.841 ( 4.654 10.726 -3.726) 12.271 5.292 ( -1.435 -3.723 -1.593) 4.296 5.732 ( -3.033 5.987 -14.535) 16.009 6.308 ( 4.903 -9.843 15.929) 19.356 8.303 ( 5.380 5.099 -5.180) 9.043 8.560 ( 4.182 5.353 -3.664) 7.718 10.910 ( -3.177 -2.631 2.898) 5.042 11.032 ( 0.802 -1.152 3.149) 3.447 11.366 ( -3.680 -5.924 0.670) 7.006 12.858 ( 4.391 8.942 -3.361) 10.513 12.942 ( -1.160 2.428 -1.370) 3.020 13.074 ( -3.057 -0.400 -0.754) 3.174 13.695 ( 1.463 -6.190 6.676) 9.221 13.882 ( -2.570 -3.047 -3.530) 5.324 ======================= Grid point 254 (115/398) ======================= q-point: (-0.08 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -20.115 -7.332 -6.034) 22.243 2.555 ( -17.486 -22.480 10.336) 30.298 3.356 ( 1.070 -14.780 8.220) 16.945 3.555 ( -13.108 -23.845 6.566) 27.991 4.691 ( 4.943 8.134 -12.440) 15.664 5.252 ( -11.930 -0.320 -5.453) 13.121 5.528 ( 4.293 7.507 -5.455) 10.224 6.594 ( -0.828 -8.685 16.028) 18.248 8.243 ( 6.234 6.875 -6.561) 11.366 8.489 ( 3.680 7.142 -3.828) 8.900 10.945 ( -2.215 -3.292 3.807) 5.499 11.083 ( 0.465 -1.665 2.882) 3.361 11.430 ( -3.310 -9.176 -0.572) 9.772 12.701 ( 0.618 12.044 -2.439) 12.304 12.889 ( 1.512 3.856 -2.233) 4.706 13.095 ( 1.254 -2.300 1.750) 3.151 13.829 ( -0.625 -4.279 1.232) 4.497 13.901 ( -0.043 -5.512 1.457) 5.702 ======================= Grid point 264 (116/398) ======================= q-point: (-0.25 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -19.580 0.000 0.919) 19.601 2.328 ( -29.644 0.000 21.279) 36.491 2.931 ( -28.738 0.000 1.935) 28.803 3.378 ( 3.486 -0.000 -2.265) 4.157 5.045 ( 5.637 -0.000 4.789) 7.397 5.196 ( -5.390 0.000 -14.040) 15.039 5.861 ( 2.251 -0.000 -12.295) 12.499 6.111 ( 4.381 -0.000 18.210) 18.730 8.383 ( 5.374 -0.000 -3.995) 6.696 8.639 ( 3.968 -0.000 -3.351) 5.194 10.869 ( -3.597 0.000 3.231) 4.835 11.015 ( 1.572 -0.000 2.330) 2.811 11.281 ( -4.742 0.000 1.273) 4.910 12.984 ( -0.511 0.000 -0.373) 0.632 12.985 ( 7.893 -0.000 -2.852) 8.393 13.068 ( -7.398 0.000 -4.084) 8.451 13.595 ( 1.510 -0.000 7.590) 7.739 13.835 ( -2.416 0.000 -3.542) 4.288 ======================= Grid point 265 (117/398) ======================= q-point: (-0.17 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -19.754 -24.511 -0.322) 31.482 2.166 ( -29.402 -7.591 15.928) 34.290 2.635 ( -32.453 -10.927 8.822) 35.362 3.423 ( 4.231 -0.899 -1.090) 4.461 4.921 ( -4.432 5.844 -17.678) 19.139 5.174 ( 1.490 -3.074 0.831) 3.516 5.768 ( 2.341 6.845 -6.052) 9.432 6.342 ( 0.336 -7.237 17.554) 18.990 8.400 ( 6.266 3.243 -4.416) 8.323 8.637 ( 3.186 2.707 -3.363) 5.366 10.869 ( -2.991 -1.560 4.428) 5.567 11.053 ( 1.161 -0.452 1.848) 2.229 11.248 ( -4.815 -3.404 -0.188) 5.900 12.913 ( -3.005 4.322 -2.169) 5.693 13.004 ( 1.817 0.169 -0.802) 1.993 13.047 ( 4.054 0.681 -2.897) 5.029 13.695 ( 1.465 -3.396 6.585) 7.553 13.800 ( -1.487 -1.569 -2.262) 3.129 ======================= Grid point 266 (118/398) ======================= q-point: (-0.08 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -22.440 -15.029 -2.485) 27.122 2.081 ( -24.139 -18.992 8.430) 31.850 2.745 ( -26.690 -41.976 18.287) 52.998 3.487 ( 4.433 -0.993 0.143) 4.545 4.629 ( -6.386 4.256 -21.257) 22.600 5.204 ( 1.558 3.717 1.374) 4.258 5.658 ( 3.499 7.365 -2.975) 8.680 6.558 ( -4.717 -8.102 15.474) 18.092 8.378 ( 7.369 6.199 -5.549) 11.114 8.595 ( 3.045 5.146 -2.472) 6.470 10.908 ( -2.030 -2.983 5.068) 6.222 11.082 ( -0.047 -1.103 1.421) 1.800 11.265 ( -3.570 -7.043 -0.987) 7.958 12.815 ( -0.068 5.769 0.584) 5.799 12.982 ( 4.281 6.187 -4.724) 8.883 13.082 ( 1.482 -3.054 0.647) 3.456 13.775 ( -0.911 -1.843 -0.694) 2.170 13.845 ( 0.816 -5.928 4.042) 7.221 ======================= Grid point 277 (119/398) ======================= q-point: (-0.17 -0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -25.096 0.000 4.558) 25.507 1.830 ( -33.053 0.000 10.842) 34.786 2.171 ( -41.662 0.000 15.699) 44.521 3.467 ( 4.399 -0.000 -0.511) 4.429 4.689 ( -10.308 0.000 -19.116) 21.718 5.246 ( 7.652 -0.000 0.029) 7.652 5.811 ( 1.749 -0.000 -4.181) 4.533 6.404 ( -3.645 0.000 17.509) 17.884 8.472 ( 6.436 -0.000 -3.830) 7.489 8.666 ( 2.444 -0.000 -2.598) 3.567 10.862 ( -2.546 0.000 5.567) 6.121 11.075 ( 1.130 -0.000 0.794) 1.381 11.153 ( -5.245 0.000 -1.056) 5.350 12.912 ( -1.555 0.000 0.521) 1.640 13.003 ( 1.464 -0.000 0.728) 1.635 13.093 ( 5.412 -0.000 -6.374) 8.362 13.736 ( 1.126 -0.000 5.946) 6.052 13.763 ( -0.628 0.000 -1.550) 1.672 ======================= Grid point 278 (120/398) ======================= q-point: (-0.08 -0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -22.762 -23.897 6.669) 33.670 1.518 ( -29.912 -15.167 -6.113) 34.090 1.995 ( -43.324 -26.571 36.093) 62.335 3.524 ( 3.867 -1.296 -0.084) 4.079 4.426 ( -7.988 1.792 -15.507) 17.536 5.320 ( 7.468 2.568 -1.226) 7.992 5.758 ( 1.720 5.040 -3.343) 6.287 6.501 ( -7.522 -4.973 14.358) 16.955 8.499 ( 6.911 3.256 -4.388) 8.810 8.671 ( 2.819 1.837 0.156) 3.368 10.891 ( -2.033 -1.697 5.682) 6.269 11.072 ( -1.779 -0.028 0.108) 1.782 11.136 ( -1.736 -4.754 -0.547) 5.091 12.894 ( 1.057 2.886 2.179) 3.768 13.052 ( 1.965 -1.640 0.609) 2.631 13.073 ( 3.656 2.651 -6.799) 8.163 13.748 ( -0.270 -0.100 -1.110) 1.146 13.816 ( 0.438 -3.720 4.466) 5.829 ======================= Grid point 290 (121/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -26.017 0.000 26.145) 36.884 0.887 ( -36.847 0.000 -12.313) 38.850 1.557 ( -51.100 0.000 52.638) 73.362 3.547 ( 2.261 -0.000 -0.274) 2.277 4.269 ( -3.854 0.000 -8.815) 9.620 5.419 ( 8.064 -0.000 -2.972) 8.595 5.788 ( 1.680 -0.000 -3.172) 3.589 6.456 ( -10.093 0.000 11.171) 15.055 8.569 ( 5.132 -0.000 -2.559) 5.734 8.743 ( 4.946 -0.000 6.420) 8.104 10.896 ( -1.697 0.000 4.704) 5.001 11.035 ( -3.035 0.000 1.590) 3.426 11.100 ( 0.504 -0.000 0.143) 0.524 12.936 ( 0.769 -0.000 -0.946) 1.220 13.056 ( 1.227 -0.000 1.125) 1.664 13.101 ( 4.259 -0.000 -4.592) 6.263 13.740 ( 0.215 -0.000 -1.070) 1.092 13.820 ( -0.467 0.000 3.511) 3.541 ======================= Grid point 291 (122/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 9.502 -0.000 31.546) 32.946 1.686 ( -11.398 0.000 39.273) 40.893 2.536 ( -33.635 0.000 56.937) 66.129 3.547 ( 1.062 -0.000 -1.971) 2.239 4.388 ( 15.314 -0.000 7.067) 16.866 5.466 ( 7.528 -0.000 -5.567) 9.363 5.616 ( 4.815 -0.000 -10.583) 11.627 6.254 ( -20.727 0.000 -0.175) 20.728 8.597 ( 3.024 -0.000 -2.469) 3.904 8.786 ( -1.767 0.000 -7.570) 7.773 10.788 ( -3.534 0.000 -2.150) 4.137 11.103 ( -0.481 0.000 -0.737) 0.880 11.232 ( -3.523 0.000 8.872) 9.546 12.644 ( 3.386 -0.000 -11.886) 12.359 13.106 ( -1.531 0.000 1.453) 2.111 13.223 ( 4.307 -0.000 -0.031) 4.307 13.722 ( 0.749 -0.000 -0.201) 0.776 13.838 ( -4.425 0.000 0.892) 4.514 ======================= Grid point 292 (123/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 6.776 -2.738 28.076) 29.011 1.903 ( -11.041 -7.303 36.951) 39.251 2.798 ( -20.452 -24.260 44.644) 54.771 3.542 ( 0.315 -0.147 -1.582) 1.620 4.685 ( 17.956 -2.526 9.699) 20.563 5.494 ( 8.062 3.457 -4.855) 10.026 5.572 ( 4.170 4.802 -8.021) 10.237 6.028 ( -18.480 -6.060 -2.959) 19.672 8.559 ( 1.939 5.488 -3.291) 6.686 8.698 ( -1.162 2.895 -5.391) 6.228 10.766 ( -2.099 -3.383 -0.674) 4.038 11.094 ( -1.719 -1.496 -1.583) 2.775 11.272 ( -2.508 -2.209 7.623) 8.323 12.603 ( 5.704 1.816 -9.548) 11.269 13.103 ( -2.960 -1.978 0.934) 3.681 13.246 ( 1.704 2.068 -0.269) 2.693 13.733 ( 1.220 -0.248 0.460) 1.327 13.809 ( -4.767 -3.322 -0.061) 5.811 ======================= Grid point 293 (124/398) ======================= q-point: ( 0.17 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 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 2.244 -6.749 23.776) 24.817 2.226 ( -2.402 -12.096 30.497) 32.896 3.233 ( -11.635 -22.653 18.683) 31.584 3.579 ( -2.775 -8.502 8.402) 12.271 4.939 ( 8.843 0.923 -3.402) 9.519 5.486 ( 0.909 1.439 -4.231) 4.560 5.523 ( 6.107 3.685 7.328) 10.226 5.970 ( -3.392 -8.004 -2.407) 9.020 8.455 ( 1.512 7.689 -4.730) 9.153 8.583 ( 0.346 6.580 -5.202) 8.395 10.815 ( -1.028 -5.654 0.907) 5.818 11.079 ( -3.037 -2.454 -1.610) 4.224 11.351 ( -1.297 -4.851 5.632) 7.545 12.584 ( 7.864 4.362 -6.571) 11.138 13.098 ( -4.189 -2.530 0.307) 4.904 13.199 ( -1.532 4.189 0.138) 4.463 13.781 ( 1.904 -2.711 1.487) 3.631 13.808 ( -4.335 -5.091 -1.014) 6.763 ======================= Grid point 294 (125/398) ======================= q-point: ( 0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 6.425 -6.426 15.774) 18.204 2.614 ( -0.885 -15.027 24.185) 28.487 3.335 ( -2.852 -2.441 -3.166) 4.911 3.932 ( -8.837 -28.457 21.165) 36.549 4.797 ( -3.390 9.312 -12.079) 15.624 5.431 ( 2.290 1.161 -12.621) 12.880 5.687 ( -4.987 -7.870 14.019) 16.833 6.146 ( 13.955 -3.706 8.959) 16.993 8.306 ( 0.989 8.960 -6.264) 10.977 8.446 ( 2.023 8.505 -5.963) 10.583 10.906 ( -0.396 -6.157 2.497) 6.656 11.069 ( -3.781 -3.429 -0.543) 5.133 11.463 ( -0.362 -7.270 3.545) 8.096 12.551 ( 8.067 8.848 -4.942) 12.953 13.052 ( -5.603 1.298 0.517) 5.774 13.134 ( -2.338 0.681 0.939) 2.609 13.817 ( -5.015 -6.533 -1.634) 8.397 13.885 ( 3.564 -3.692 2.368) 5.651 ======================= Grid point 295 (126/398) ======================= q-point: ( 0.33 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 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 9.229 -0.657 9.182) 13.035 3.006 ( -1.561 -19.665 16.229) 25.544 3.295 ( -0.942 -0.164 -2.766) 2.927 4.362 ( -10.314 -17.836 14.768) 25.350 4.529 ( -2.757 2.418 -5.817) 6.876 5.303 ( -1.237 3.237 -14.408) 14.819 5.783 ( -9.195 -7.816 5.396) 13.220 6.484 ( 15.225 -2.016 15.872) 22.086 8.141 ( 1.876 8.498 -7.936) 11.777 8.302 ( 2.604 8.439 -6.937) 11.230 11.005 ( -0.683 -4.972 2.982) 5.838 11.081 ( -3.199 -3.758 2.350) 5.466 11.604 ( 0.417 -9.805 1.446) 9.920 12.431 ( 4.417 13.657 -4.697) 15.103 12.969 ( -4.999 1.388 0.744) 5.241 13.126 ( -0.759 -0.317 2.162) 2.313 13.841 ( -4.415 -6.851 -2.060) 8.406 14.000 ( 3.532 -2.739 3.227) 5.513 ======================= Grid point 296 (127/398) ======================= q-point: ( 0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 5.679 4.196 6.299) 9.463 3.235 ( -1.206 -6.005 -4.599) 7.660 3.436 ( 2.198 -15.806 11.778) 19.833 4.143 ( -7.683 14.324 -2.901) 16.511 4.817 ( -5.845 -18.323 14.856) 24.302 5.098 ( -2.791 1.773 -18.510) 18.803 5.766 ( -10.848 -0.983 5.070) 12.014 6.781 ( 10.218 -0.670 14.542) 17.785 7.997 ( 3.245 6.501 -9.768) 12.174 8.176 ( 2.805 5.332 -7.673) 9.756 11.061 ( -2.697 -3.284 2.666) 5.017 11.139 ( -0.548 -2.364 5.655) 6.154 11.777 ( 1.154 -12.488 -0.476) 12.551 12.217 ( 0.435 14.882 -4.057) 15.431 12.893 ( -4.328 1.202 -0.794) 4.561 13.158 ( 2.109 0.541 4.025) 4.576 13.866 ( -3.698 -5.704 -2.081) 7.110 14.090 ( 2.846 -0.449 3.715) 4.701 ======================= Grid point 297 (128/398) ======================= q-point: (-0.50 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 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -2.905 8.625 4.426) 10.120 3.288 ( 2.152 -5.087 -1.648) 5.764 3.685 ( -1.060 0.923 -0.119) 1.411 3.893 ( -2.383 3.345 5.876) 7.169 4.789 ( -13.011 -2.687 -10.996) 17.246 5.148 ( 2.262 -7.145 2.501) 7.901 5.617 ( -12.523 7.402 8.238) 16.717 6.980 ( 4.734 0.718 12.994) 13.848 7.892 ( 4.164 2.720 -11.369) 12.409 8.119 ( 3.796 -0.571 -8.121) 8.983 11.090 ( -2.545 -1.594 4.428) 5.350 11.197 ( -0.133 0.170 5.461) 5.465 11.941 ( -0.168 4.054 -2.850) 4.958 12.012 ( 0.335 -4.807 -2.364) 5.367 12.825 ( -2.597 0.705 -1.363) 3.016 13.211 ( 3.391 1.942 4.497) 5.957 13.872 ( -3.204 -3.119 -2.085) 4.934 14.138 ( 1.889 1.996 4.019) 4.869 ======================= Grid point 298 (129/398) ======================= q-point: (-0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -11.972 12.988 2.423) 17.829 3.381 ( -0.595 3.703 2.684) 4.612 3.450 ( -3.124 13.238 5.903) 14.827 3.954 ( -0.469 -4.755 -8.420) 9.682 4.695 ( -6.800 -13.817 -7.418) 17.093 5.049 ( -10.343 21.142 6.316) 24.369 5.519 ( -2.968 -0.777 7.992) 8.560 7.070 ( -1.975 3.431 12.793) 13.392 7.869 ( 6.407 -3.852 -12.029) 14.162 8.163 ( 5.158 -6.201 -7.756) 11.190 11.111 ( -2.033 0.481 6.059) 6.409 11.212 ( -0.617 2.141 4.014) 4.591 11.721 ( -2.589 12.545 -2.595) 13.069 12.221 ( 2.937 -15.703 -3.031) 16.261 12.796 ( -0.205 -0.388 -1.112) 1.196 13.246 ( 3.178 3.552 3.883) 6.147 13.843 ( -2.722 -0.303 -2.048) 3.420 14.144 ( 0.915 3.974 4.184) 5.842 ======================= Grid point 299 (130/398) ======================= q-point: (-0.33 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 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -17.974 15.317 1.463) 23.660 3.010 ( -14.751 26.247 10.892) 32.018 3.521 ( 5.744 0.103 1.502) 5.938 3.922 ( -2.647 -7.210 -11.021) 13.433 4.525 ( -16.918 35.760 14.778) 42.230 4.853 ( -0.330 -17.184 -4.532) 17.775 5.576 ( 1.817 -0.163 3.332) 3.799 7.031 ( -8.316 5.641 11.405) 15.201 7.976 ( 8.979 -9.175 -10.386) 16.513 8.294 ( 6.137 -9.447 -6.185) 12.852 11.114 ( -1.950 2.802 6.432) 7.282 11.190 ( -1.312 2.621 3.211) 4.348 11.503 ( -2.591 10.914 -1.880) 11.374 12.460 ( 4.495 -15.081 -4.303) 16.314 12.807 ( 1.296 -1.126 -0.853) 1.917 13.246 ( 2.306 4.859 2.852) 6.088 13.789 ( -1.861 1.393 -1.778) 2.927 14.115 ( -0.058 5.305 4.130) 6.723 ======================= Grid point 300 (131/398) ======================= q-point: (-0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -21.090 16.515 2.173) 26.874 2.503 ( -18.617 28.278 14.752) 36.931 3.561 ( 4.192 2.844 -1.653) 5.329 3.837 ( -19.302 35.425 31.387) 51.114 4.006 ( -3.232 -3.286 -9.638) 10.683 5.063 ( 3.728 -13.475 -4.679) 14.744 5.610 ( 2.909 0.638 -0.798) 3.083 6.901 ( -12.230 5.433 9.244) 16.264 8.162 ( 9.190 -10.210 -8.088) 15.941 8.477 ( 7.027 -10.098 -4.121) 12.974 11.070 ( -2.635 4.587 3.022) 6.092 11.171 ( -1.855 1.954 5.604) 6.218 11.325 ( -1.508 8.739 -0.511) 8.883 12.670 ( 4.532 -11.535 -8.819) 15.211 12.852 ( 2.835 -2.338 1.839) 4.109 13.212 ( 1.349 5.341 1.910) 5.831 13.740 ( -0.608 1.464 -1.348) 2.081 14.057 ( -1.143 5.840 3.757) 7.037 ======================= Grid point 301 (132/398) ======================= q-point: (-0.17 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 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -17.359 16.217 10.397) 25.931 2.015 ( -18.892 26.957 24.205) 40.859 3.221 ( -29.398 36.918 41.424) 62.794 3.570 ( 2.781 2.479 -2.358) 4.409 4.073 ( 4.678 -4.465 -2.490) 6.929 5.247 ( 5.861 -9.102 -5.149) 11.987 5.625 ( 3.262 -0.563 -4.953) 5.958 6.723 ( -15.089 4.311 6.648) 17.043 8.352 ( 7.567 -8.962 -5.475) 12.944 8.678 ( 7.635 -8.784 -3.919) 12.280 10.974 ( -3.433 4.429 -0.162) 5.606 11.167 ( -1.287 1.902 4.296) 4.871 11.219 ( -1.115 5.326 3.980) 6.742 12.729 ( 1.781 -4.450 -12.191) 13.100 12.992 ( 5.903 -5.024 2.879) 8.269 13.164 ( 0.573 4.558 1.440) 4.814 13.715 ( 0.429 0.536 -1.076) 1.276 13.981 ( -2.359 5.272 3.035) 6.525 ======================= Grid point 302 (133/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.595 5.293 29.592) 30.068 1.692 ( -16.196 18.129 35.276) 42.841 2.734 ( -35.529 23.794 52.074) 67.381 3.554 ( 1.856 1.108 -2.635) 3.408 4.196 ( 9.919 -0.582 2.411) 10.225 5.385 ( 7.127 -4.344 -4.962) 9.711 5.630 ( 3.635 -1.705 -9.362) 10.187 6.506 ( -18.022 2.859 3.365) 18.555 8.514 ( 5.378 -6.534 -2.985) 8.973 8.814 ( 3.825 -4.831 -7.785) 9.929 10.872 ( -3.592 2.463 -2.195) 4.877 11.131 ( -0.033 2.778 -0.545) 2.831 11.211 ( -3.155 1.075 9.413) 9.985 12.696 ( 1.827 -1.807 -12.574) 12.833 13.120 ( 0.749 1.646 1.648) 2.447 13.143 ( 4.754 -1.570 0.951) 5.096 13.714 ( 0.751 -0.177 -0.784) 1.101 13.902 ( -3.570 3.280 1.986) 5.239 ======================= Grid point 304 (134/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -1.160 0.000 29.774) 29.797 2.022 ( -7.466 0.000 32.395) 33.244 2.770 ( -11.965 0.000 42.519) 44.170 3.533 ( 0.090 -0.000 -1.348) 1.351 4.917 ( 13.767 -0.000 1.602) 13.860 5.511 ( 3.075 -0.000 -15.207) 15.514 5.706 ( -18.039 0.000 2.444) 18.204 5.750 ( 15.309 -0.000 3.909) 15.800 8.578 ( -0.705 0.000 -3.555) 3.624 8.675 ( 0.253 -0.000 -4.413) 4.420 10.726 ( -0.226 0.000 0.439) 0.494 11.043 ( -2.090 0.000 -2.893) 3.569 11.280 ( -2.463 0.000 6.784) 7.218 12.644 ( 9.214 -0.000 -7.172) 11.676 13.053 ( -3.640 0.000 0.466) 3.670 13.257 ( -0.986 0.000 -1.682) 1.950 13.720 ( -5.333 0.000 -0.205) 5.337 13.756 ( 1.807 -0.000 1.263) 2.205 ======================= Grid point 305 (135/398) ======================= q-point: ( 0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -5.036 -2.538 29.277) 29.815 2.306 ( 0.948 -12.345 24.432) 27.390 3.026 ( -8.980 -10.433 30.053) 33.055 3.533 ( -0.588 -1.855 0.834) 2.118 4.983 ( 3.573 4.242 -11.399) 12.677 5.339 ( -6.945 -5.560 -14.671) 17.157 5.621 ( -2.960 1.614 5.025) 6.051 6.065 ( 18.660 -1.805 14.117) 23.468 8.503 ( -1.355 3.948 -4.485) 6.127 8.624 ( 0.805 3.362 -4.776) 5.896 10.765 ( 1.215 -2.976 1.992) 3.782 10.998 ( -2.628 -1.243 -3.078) 4.234 11.319 ( -1.858 -2.682 5.431) 6.336 12.711 ( 11.634 2.728 -5.097) 12.992 13.021 ( -3.589 -1.462 -0.178) 3.880 13.199 ( -3.929 1.594 -1.853) 4.627 13.671 ( -5.799 -2.986 -0.495) 6.541 13.808 ( 3.211 -1.257 2.334) 4.164 ======================= Grid point 306 (136/398) ======================= q-point: ( 0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -0.079 -10.253 20.723) 23.121 2.684 ( 6.311 -9.515 17.142) 20.596 3.221 ( -7.184 -6.313 12.002) 15.347 3.654 ( -5.364 -15.659 12.363) 20.659 4.749 ( -5.285 7.614 -14.513) 17.221 5.313 ( 1.627 -7.061 -17.035) 18.512 5.599 ( -6.465 -0.355 7.343) 9.790 6.439 ( 16.712 -1.258 18.052) 24.632 8.372 ( -0.875 6.590 -5.724) 8.773 8.525 ( 0.966 6.146 -5.936) 8.599 10.862 ( 1.960 -4.495 3.437) 5.988 10.974 ( -2.718 -2.816 -1.591) 4.225 11.393 ( -1.228 -5.149 4.022) 6.648 12.739 ( 9.203 7.419 -5.870) 13.199 12.991 ( -3.713 -0.407 -0.714) 3.803 13.125 ( -2.339 0.498 0.946) 2.572 13.652 ( -5.846 -5.379 -1.052) 8.013 13.908 ( 4.522 -2.817 3.203) 6.217 ======================= Grid point 307 (137/398) ======================= q-point: ( 0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 5.755 -11.032 9.050) 15.386 2.959 ( 5.409 -3.609 10.703) 12.524 3.263 ( -3.101 -2.083 6.524) 7.517 4.013 ( -9.032 -27.943 16.490) 33.679 4.483 ( -4.629 6.122 -10.662) 13.137 5.224 ( 0.323 3.109 -17.998) 18.268 5.608 ( -8.736 -6.213 7.026) 12.817 6.765 ( 11.223 -0.598 17.118) 20.478 8.216 ( 0.753 7.788 -7.169) 10.612 8.384 ( 0.718 7.618 -7.362) 10.618 10.955 ( -0.819 -3.479 1.268) 3.792 11.018 ( 0.346 -5.260 4.032) 6.636 11.497 ( -0.564 -7.272 2.660) 7.763 12.609 ( 1.197 11.546 -7.373) 13.752 12.936 ( -2.797 1.339 -0.532) 3.146 13.159 ( 3.736 -0.348 3.616) 5.211 13.665 ( -5.120 -7.270 -1.390) 9.000 14.036 ( 4.871 -2.752 3.426) 6.561 ======================= Grid point 308 (138/398) ======================= q-point: ( 0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 5.315 0.148 1.856) 5.631 3.102 ( 3.296 -3.877 0.849) 5.159 3.400 ( 1.501 -9.041 13.374) 16.213 4.161 ( -5.676 4.257 -7.288) 10.171 4.542 ( -6.872 -23.591 15.464) 29.032 4.972 ( -3.836 7.732 -18.055) 20.012 5.642 ( -8.737 -5.500 6.229) 12.058 6.990 ( 5.314 0.347 14.241) 15.204 8.063 ( 2.495 7.796 -8.828) 12.039 8.224 ( 0.815 6.767 -8.567) 10.947 11.002 ( -1.580 -3.845 2.497) 4.849 11.139 ( 0.833 -4.138 5.686) 7.082 11.629 ( 0.315 -9.547 1.203) 9.627 12.367 ( -2.410 12.751 -6.486) 14.508 12.875 ( -1.481 2.475 -1.005) 3.054 13.251 ( 5.847 0.908 4.461) 7.410 13.707 ( -4.161 -7.722 -1.311) 8.869 14.147 ( 4.175 -1.078 3.110) 5.316 ======================= Grid point 309 (139/398) ======================= q-point: (-0.50 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -1.823 11.227 4.006) 12.059 3.209 ( 4.062 -6.026 -1.455) 7.411 3.682 ( 6.726 -7.216 4.915) 11.021 3.971 ( -3.693 4.205 -1.312) 5.748 4.540 ( -14.740 8.260 -9.298) 19.286 4.997 ( 0.176 -19.869 4.585) 20.392 5.617 ( -9.881 1.630 8.653) 13.235 7.113 ( -0.335 0.684 11.921) 11.945 7.920 ( 3.510 6.511 -10.628) 12.949 8.106 ( 2.598 2.408 -9.193) 9.852 11.064 ( -1.199 -3.348 4.313) 5.590 11.228 ( -0.231 -1.584 5.434) 5.665 11.798 ( 1.370 -12.143 -0.221) 12.222 12.104 ( -3.133 12.713 -5.059) 14.037 12.824 ( 0.365 2.318 -0.952) 2.532 13.333 ( 5.528 2.476 4.263) 7.407 13.751 ( -3.490 -6.092 -1.074) 7.102 14.213 ( 2.848 1.024 2.651) 4.024 ======================= Grid point 310 (140/398) ======================= q-point: (-0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -8.313 19.293 4.820) 21.553 3.361 ( 4.599 -7.995 0.480) 9.236 3.670 ( 0.133 11.924 0.466) 11.934 3.920 ( -3.026 11.850 -4.641) 13.082 4.317 ( -6.600 -17.033 -5.533) 19.087 5.211 ( -2.953 0.381 6.317) 6.983 5.517 ( -8.290 2.000 10.967) 13.893 7.141 ( -7.191 1.887 10.969) 13.251 7.833 ( 6.600 0.796 -11.876) 13.610 8.089 ( 4.682 -3.540 -8.824) 10.598 11.128 ( -1.072 -1.829 5.735) 6.114 11.259 ( -1.165 1.259 4.220) 4.556 11.846 ( -2.477 12.204 -3.377) 12.902 12.015 ( 2.193 -14.503 -1.772) 14.774 12.808 ( 2.035 1.272 -0.552) 2.462 13.376 ( 4.111 4.107 3.390) 6.728 13.772 ( -2.837 -3.222 -0.727) 4.354 14.230 ( 1.370 2.785 2.304) 3.866 ======================= Grid point 311 (141/398) ======================= q-point: (-0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -12.077 23.272 5.276) 26.745 3.308 ( -11.354 27.085 9.295) 30.805 3.592 ( 5.724 -4.510 4.777) 8.713 3.700 ( -0.818 -3.087 -15.651) 15.973 4.567 ( 1.251 -18.050 -0.642) 18.105 4.963 ( -9.236 27.284 13.565) 31.839 5.576 ( -1.325 -4.760 4.649) 6.784 7.045 ( -12.913 4.300 8.805) 16.210 7.894 ( 9.713 -6.728 -10.609) 15.880 8.182 ( 5.675 -8.881 -7.275) 12.806 11.169 ( -1.770 0.787 6.592) 6.871 11.236 ( -1.527 2.899 2.782) 4.298 11.625 ( -1.642 11.762 -2.069) 12.055 12.252 ( 3.185 -16.040 -3.597) 16.744 12.825 ( 2.708 0.228 0.094) 2.719 13.369 ( 2.247 5.370 2.233) 6.234 13.766 ( -1.681 -0.521 -0.189) 1.770 14.205 ( -0.041 4.171 2.013) 4.632 ======================= Grid point 312 (142/398) ======================= q-point: (-0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -11.313 24.025 8.749) 27.960 2.805 ( -15.760 29.051 13.403) 35.665 3.603 ( 1.680 1.239 -6.952) 7.259 3.849 ( 6.480 -9.872 1.988) 11.975 4.429 ( -14.940 37.191 25.564) 47.539 4.883 ( 7.183 -13.725 -5.730) 16.517 5.631 ( 0.179 -1.021 0.336) 1.090 6.857 ( -15.346 4.885 5.927) 17.161 8.067 ( 9.570 -10.066 -8.616) 16.344 8.356 ( 5.564 -12.103 -5.610) 14.454 11.130 ( -3.071 5.433 2.848) 6.860 11.215 ( -1.812 1.440 4.995) 5.505 11.446 ( -0.306 10.075 -0.163) 10.081 12.469 ( 2.964 -13.795 -7.627) 16.039 12.878 ( 3.221 -1.889 2.245) 4.357 13.318 ( 0.468 5.803 1.296) 5.965 13.749 ( -0.183 1.161 0.206) 1.193 14.142 ( -1.404 5.285 1.602) 5.698 ======================= Grid point 313 (143/398) ======================= q-point: (-0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -3.039 20.070 17.940) 27.090 2.338 ( -17.285 26.036 22.274) 38.377 3.552 ( 0.150 2.533 -4.913) 5.530 3.799 ( -15.459 33.394 22.539) 43.153 4.172 ( 10.069 3.210 15.597) 18.840 5.120 ( 7.436 -12.830 -6.689) 16.268 5.623 ( 0.760 0.717 -3.632) 3.780 6.624 ( -16.630 4.837 2.806) 17.545 8.263 ( 7.704 -10.112 -6.483) 14.270 8.552 ( 3.745 -12.261 -5.661) 14.014 11.011 ( -3.566 6.547 0.273) 7.460 11.202 ( -2.444 1.902 3.750) 4.864 11.332 ( 0.083 7.377 3.306) 8.084 12.576 ( 1.997 -7.513 -11.129) 13.575 13.005 ( 4.048 -5.618 3.746) 7.873 13.244 ( -0.858 5.220 0.921) 5.369 13.733 ( 0.872 1.670 0.094) 1.886 14.046 ( -2.774 5.885 0.996) 6.582 ======================= Grid point 314 (144/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 8.208 8.859 27.550) 30.081 2.006 ( -16.907 19.182 32.030) 40.985 3.205 ( -19.856 36.787 34.026) 53.900 3.562 ( -0.221 1.888 -0.902) 2.104 4.420 ( 16.137 1.868 11.768) 20.059 5.328 ( 7.495 -10.106 -5.766) 13.840 5.585 ( 1.534 0.090 -7.576) 7.730 6.349 ( -17.714 5.273 -0.588) 18.491 8.438 ( 5.103 -8.802 -4.278) 11.037 8.679 ( 0.106 -8.228 -6.545) 10.514 10.875 ( -3.380 5.720 -0.892) 6.703 11.154 ( -2.049 2.594 0.094) 3.307 11.285 ( -1.438 4.253 7.141) 8.435 12.593 ( 2.912 -3.705 -11.072) 12.033 13.154 ( 2.503 -3.643 2.122) 4.903 13.170 ( -0.993 2.522 0.811) 2.829 13.726 ( 1.199 1.116 -0.021) 1.638 13.927 ( -4.006 5.390 0.344) 6.725 ======================= Grid point 317 (145/398) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -7.264 0.000 21.833) 23.009 2.333 ( -0.540 0.000 29.379) 29.384 3.127 ( -3.043 0.000 25.705) 25.885 3.506 ( -0.820 0.000 -2.115) 2.268 5.008 ( 5.797 -0.000 -14.206) 15.344 5.014 ( -11.992 0.000 -14.071) 18.488 5.638 ( -1.506 0.000 2.317) 2.763 6.418 ( 17.200 -0.000 18.764) 25.455 8.472 ( -2.151 0.000 -4.629) 5.104 8.617 ( 0.291 -0.000 -5.290) 5.298 10.790 ( 2.831 -0.000 3.367) 4.399 10.935 ( -2.065 0.000 -3.194) 3.803 11.317 ( -1.808 0.000 4.850) 5.176 12.848 ( 12.236 -0.000 -6.043) 13.647 12.970 ( -2.222 0.000 -0.638) 2.312 13.136 ( -4.368 0.000 -1.225) 4.537 13.571 ( -6.467 0.000 -0.108) 6.468 13.867 ( 4.441 -0.000 3.327) 5.549 ======================= Grid point 318 (146/398) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -4.537 -6.484 17.477) 19.185 2.674 ( 1.916 -14.076 21.826) 26.041 3.261 ( -2.388 1.562 18.197) 18.420 3.500 ( -3.282 -6.169 -1.280) 7.103 4.702 ( -4.715 9.085 -10.903) 14.954 5.066 ( 2.064 -10.646 -15.320) 18.770 5.607 ( -4.254 2.715 3.837) 6.340 6.746 ( 11.549 -0.504 18.141) 21.511 8.386 ( -1.399 3.380 -5.160) 6.325 8.547 ( -0.467 3.172 -6.550) 7.293 10.877 ( 2.928 -2.022 3.868) 5.256 10.905 ( -0.993 -1.754 -1.124) 2.307 11.352 ( -1.457 -2.755 4.390) 5.384 12.836 ( 0.048 4.074 -9.851) 10.661 12.951 ( -0.646 -0.179 -1.017) 1.218 13.152 ( 6.443 -0.019 2.821) 7.034 13.510 ( -6.623 -2.981 -0.170) 7.265 13.970 ( 6.029 -1.351 3.801) 7.254 ======================= Grid point 319 (147/398) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -1.416 -12.944 8.362) 15.474 3.038 ( 7.445 -9.458 8.194) 14.561 3.320 ( -0.789 2.464 13.462) 13.708 3.636 ( -8.725 -21.435 7.749) 24.406 4.471 ( -1.817 8.648 -6.344) 10.878 5.090 ( 2.150 -4.771 -17.131) 17.912 5.530 ( -8.282 1.823 7.353) 11.224 6.989 ( 5.188 -0.461 15.662) 16.505 8.269 ( 0.417 5.789 -6.128) 8.440 8.418 ( -0.924 5.587 -8.081) 9.867 10.908 ( -0.525 -2.334 0.514) 2.447 11.005 ( 2.320 -4.244 4.856) 6.854 11.426 ( -0.857 -4.979 4.214) 6.579 12.645 ( -5.123 6.180 -9.694) 12.586 12.938 ( 0.861 1.446 -0.994) 1.954 13.275 ( 9.076 0.998 3.492) 9.776 13.495 ( -5.604 -5.980 -0.423) 8.206 14.102 ( 6.857 -1.579 3.223) 7.739 ======================= Grid point 320 (148/398) ======================= q-point: ( 0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -1.186 -10.905 -0.699) 10.992 3.260 ( 14.116 -1.278 -2.116) 14.331 3.403 ( -3.386 -2.378 17.451) 17.934 3.962 ( -6.086 -21.028 3.570) 22.181 4.337 ( -3.650 -1.621 4.196) 5.793 4.944 ( -1.188 8.728 -14.945) 17.348 5.506 ( -8.566 -5.042 7.628) 12.529 7.128 ( -0.733 0.062 12.688) 12.709 8.140 ( 2.355 7.427 -7.498) 10.813 8.252 ( -0.409 6.413 -9.339) 11.337 10.958 ( -0.159 -3.401 2.613) 4.292 11.127 ( 0.814 -4.667 4.754) 6.712 11.534 ( -0.093 -6.618 3.624) 7.545 12.407 ( -5.399 7.710 -8.365) 12.593 12.912 ( 1.941 3.337 -0.965) 3.979 13.389 ( 7.542 1.492 3.881) 8.612 13.533 ( -4.063 -7.890 -0.389) 8.883 14.219 ( 6.160 -0.310 1.863) 6.443 ======================= Grid point 321 (149/398) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -2.349 -4.640 -1.367) 5.377 3.343 ( 9.822 9.430 4.083) 14.215 3.651 ( 2.331 -16.686 8.720) 18.971 3.919 ( -2.099 6.775 -9.416) 11.788 4.534 ( -10.989 4.741 8.203) 14.509 4.710 ( 0.147 -14.023 -3.914) 14.560 5.545 ( -7.748 -4.802 7.716) 11.942 7.169 ( -6.153 0.481 10.253) 11.967 7.996 ( 3.475 8.500 -9.325) 13.088 8.109 ( 2.260 4.113 -9.674) 10.752 11.036 ( -0.102 -3.882 4.043) 5.606 11.225 ( -0.811 -3.585 4.827) 6.067 11.668 ( 0.742 -8.768 1.947) 9.012 12.171 ( -4.048 9.010 -6.362) 11.749 12.883 ( 2.952 3.853 -0.649) 4.897 13.473 ( 5.860 2.587 3.457) 7.279 13.602 ( -3.442 -8.000 0.214) 8.712 14.286 ( 4.316 1.360 0.529) 4.556 ======================= Grid point 322 (150/398) ======================= q-point: (-0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -5.608 11.736 3.498) 13.470 3.381 ( 8.117 2.270 3.204) 9.017 3.742 ( -1.939 2.937 -8.425) 9.131 4.006 ( 5.708 -18.384 3.211) 19.515 4.136 ( -9.092 24.952 0.018) 26.556 5.062 ( -1.583 -20.921 5.525) 21.696 5.541 ( -8.263 1.824 10.739) 13.672 7.122 ( -11.384 1.175 8.565) 14.294 7.873 ( 6.428 5.230 -10.345) 13.254 8.048 ( 4.560 -0.084 -9.484) 10.524 11.120 ( -0.575 -3.472 4.812) 5.962 11.277 ( -2.009 -0.915 4.633) 5.132 11.837 ( 1.526 -11.920 -0.162) 12.018 11.955 ( -2.096 10.316 -4.100) 11.297 12.869 ( 3.301 3.008 -0.243) 4.472 13.506 ( 3.521 4.074 2.030) 5.755 13.673 ( -2.483 -6.105 1.401) 6.738 14.297 ( 2.139 2.567 -0.236) 3.350 ======================= Grid point 323 (151/398) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -7.643 23.970 6.260) 25.926 3.517 ( 4.361 -5.904 -5.182) 8.985 3.625 ( -7.145 19.790 3.085) 21.266 3.713 ( 1.696 8.849 5.063) 10.335 4.349 ( 5.465 -17.705 0.084) 18.529 5.226 ( -3.325 4.844 7.004) 9.142 5.510 ( -5.694 -2.615 9.836) 11.662 6.984 ( -14.845 3.348 6.398) 16.508 7.869 ( 9.170 -2.011 -9.734) 13.523 8.081 ( 5.360 -5.715 -8.518) 11.574 11.186 ( -1.834 -1.896 5.291) 5.912 11.272 ( -2.464 1.953 3.492) 4.699 11.763 ( -0.179 11.264 -1.872) 11.420 12.039 ( 1.888 -14.517 -2.433) 14.840 12.875 ( 2.827 1.529 0.375) 3.236 13.477 ( 0.751 5.045 0.717) 5.151 13.732 ( -0.791 -2.952 2.234) 3.785 14.266 ( 0.160 3.418 -0.477) 3.455 ======================= Grid point 324 (152/398) ======================= q-point: (-0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -5.373 24.842 10.245) 27.403 3.144 ( -10.769 28.531 8.404) 31.633 3.546 ( 0.090 -0.890 -5.718) 5.788 3.906 ( 10.956 -5.238 9.614) 15.488 4.623 ( 0.805 -11.882 1.818) 12.047 5.029 ( -1.282 22.463 13.288) 26.130 5.583 ( -2.162 -4.730 1.790) 5.500 6.771 ( -15.631 5.107 3.536) 16.820 7.987 ( 9.075 -7.693 -8.493) 14.618 8.204 ( 4.748 -10.539 -7.114) 13.573 11.180 ( -4.129 3.658 3.679) 6.631 11.241 ( -1.895 1.036 3.352) 3.988 11.603 ( 1.108 11.060 0.306) 11.120 12.243 ( 1.834 -14.464 -5.472) 15.573 12.908 ( 2.199 -0.889 1.911) 3.046 13.399 ( -1.429 5.364 0.104) 5.552 13.771 ( 0.755 0.002 2.264) 2.387 14.197 ( -1.506 4.402 -0.585) 4.689 ======================= Grid point 325 (153/398) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 1.222 18.671 16.702) 25.081 2.698 ( -11.336 27.840 17.185) 34.625 3.510 ( -0.203 -0.713 -6.069) 6.114 4.108 ( 2.389 8.734 10.750) 14.055 4.619 ( -0.108 14.366 20.877) 25.343 5.021 ( 9.594 -4.846 0.575) 10.764 5.594 ( -1.323 -0.824 -3.041) 3.417 6.514 ( -15.070 6.123 0.200) 16.268 8.159 ( 7.335 -9.934 -7.101) 14.244 8.366 ( 2.850 -12.120 -6.352) 13.977 11.068 ( -4.009 6.711 1.275) 7.921 11.220 ( -2.976 1.719 2.970) 4.542 11.482 ( 1.138 9.370 2.634) 9.799 12.396 ( 2.174 -10.736 -8.196) 13.681 12.992 ( 1.555 -4.657 3.476) 6.016 13.298 ( -2.824 4.923 0.079) 5.676 13.786 ( 1.768 2.167 1.690) 3.268 14.093 ( -2.953 5.545 -0.829) 6.336 ======================= Grid point 326 (154/398) ======================= q-point: (-0.08 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 7.542 8.958 21.651) 24.615 2.358 ( -10.866 23.057 26.117) 36.493 3.456 ( -1.745 2.470 -4.529) 5.446 3.829 ( -10.541 30.354 22.212) 39.062 4.767 ( 13.508 1.258 10.407) 17.098 5.252 ( 8.690 -7.617 5.069) 12.619 5.544 ( 0.098 0.410 -6.951) 6.964 6.231 ( -13.059 7.340 -3.081) 15.294 8.328 ( 4.786 -9.751 -5.650) 12.244 8.502 ( 0.787 -10.115 -5.947) 11.761 10.929 ( -2.987 7.113 0.506) 7.731 11.162 ( -3.295 2.802 0.654) 4.375 11.402 ( -0.035 6.955 4.776) 8.437 12.491 ( 4.234 -6.645 -8.225) 11.390 13.112 ( -0.081 -6.284 2.686) 6.834 13.197 ( -3.341 3.867 0.227) 5.116 13.783 ( 2.294 3.078 1.214) 4.026 13.957 ( -4.161 6.160 -1.100) 7.514 ======================= Grid point 330 (155/398) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -8.798 0.000 13.716) 16.295 2.796 ( 2.340 -0.000 26.684) 26.786 3.357 ( -3.757 0.000 -11.041) 11.663 3.396 ( 0.161 -0.000 13.949) 13.950 4.695 ( -2.999 0.000 -1.486) 3.347 4.890 ( 5.257 -0.000 -16.947) 17.743 5.600 ( -5.322 0.000 3.692) 6.477 6.978 ( 5.038 -0.000 15.853) 16.634 8.357 ( -0.808 0.000 -4.841) 4.908 8.502 ( -1.545 0.000 -7.580) 7.736 10.876 ( 0.059 -0.000 -0.595) 0.598 10.938 ( 2.959 -0.000 4.759) 5.604 11.351 ( -1.175 0.000 5.080) 5.214 12.727 ( -6.875 0.000 -10.670) 12.693 12.954 ( 2.346 -0.000 -1.191) 2.631 13.298 ( 11.414 -0.000 2.288) 11.641 13.405 ( -6.995 0.000 0.546) 7.016 14.077 ( 7.992 -0.000 3.449) 8.704 ======================= Grid point 331 (156/398) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -6.865 -11.570 9.340) 16.378 3.076 ( 1.861 -6.239 18.995) 20.080 3.282 ( -3.600 -10.998 -5.978) 13.026 3.490 ( 1.305 0.796 9.434) 9.557 4.589 ( 1.281 10.341 -0.216) 10.422 4.910 ( 3.848 -7.614 -14.027) 16.418 5.528 ( -7.678 3.477 5.571) 10.103 7.115 ( -1.220 -0.597 12.576) 12.649 8.295 ( 0.624 2.978 -5.115) 5.951 8.398 ( -1.626 2.934 -8.568) 9.201 10.894 ( 1.011 -1.051 1.336) 1.978 11.017 ( 1.442 -2.294 4.035) 4.860 11.402 ( -0.682 -2.562 5.974) 6.536 12.538 ( -7.596 1.907 -10.263) 12.910 12.979 ( 4.063 1.078 -1.275) 4.393 13.348 ( -6.002 -2.962 1.336) 6.825 13.443 ( 9.551 0.734 1.893) 9.765 14.208 ( 9.060 -0.256 1.716) 9.225 ======================= Grid point 332 (157/398) ======================= q-point: ( 0.42 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -3.319 -12.868 2.734) 13.568 3.225 ( 1.069 -10.226 -1.156) 10.347 3.559 ( 5.145 2.911 5.652) 8.178 3.599 ( -3.770 -25.235 17.093) 30.711 4.440 ( 0.455 12.725 1.060) 12.777 4.912 ( 2.980 0.173 -13.688) 14.010 5.430 ( -9.224 1.248 8.316) 12.482 7.162 ( -6.549 -0.984 9.194) 11.331 8.211 ( 2.378 5.480 -6.019) 8.481 8.256 ( -0.417 5.036 -9.110) 10.418 10.946 ( 1.059 -1.998 2.933) 3.703 11.100 ( -0.004 -4.070 3.487) 5.359 11.490 ( -0.575 -4.215 5.781) 7.177 12.341 ( -6.022 3.161 -8.780) 11.107 12.995 ( 4.625 3.153 -1.111) 5.706 13.364 ( -4.764 -6.689 2.059) 8.466 13.544 ( 7.097 1.708 1.990) 7.566 14.317 ( 8.055 0.860 -0.780) 8.138 ======================= Grid point 333 (158/398) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -1.330 -9.077 0.176) 9.176 3.430 ( -1.360 -16.371 1.393) 16.486 3.627 ( 8.998 4.701 4.654) 11.168 3.973 ( 1.195 -4.110 6.556) 7.830 4.335 ( -6.156 -8.662 9.389) 14.180 4.743 ( 0.634 12.819 -9.840) 16.173 5.430 ( -7.087 -6.000 7.944) 12.220 7.127 ( -10.702 -0.837 6.423) 12.509 8.090 ( 2.897 7.884 -8.344) 11.839 8.135 ( 3.144 4.827 -8.059) 9.906 11.016 ( 0.292 -3.055 3.494) 4.650 11.186 ( -1.203 -4.630 3.989) 6.228 11.591 ( -0.571 -5.691 3.854) 6.897 12.171 ( -3.092 4.613 -6.242) 8.355 12.987 ( 4.349 4.583 -0.738) 6.361 13.446 ( -3.224 -8.699 2.815) 9.696 13.600 ( 4.370 2.521 1.792) 5.354 14.365 ( 5.500 2.209 -2.849) 6.576 ======================= Grid point 334 (159/398) ======================= q-point: (-0.42 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -2.211 -2.201 1.785) 3.594 3.572 ( -6.280 -7.138 -3.718) 10.209 3.692 ( 9.906 13.022 10.064) 19.209 3.956 ( 6.350 -3.553 -1.058) 7.353 4.391 ( -5.713 19.259 2.433) 20.235 4.732 ( -1.034 -25.707 5.153) 26.239 5.506 ( -5.692 -5.136 9.053) 11.863 7.027 ( -13.377 -0.203 4.580) 14.141 7.965 ( 5.418 6.868 -8.677) 12.321 8.059 ( 4.961 3.507 -8.607) 10.536 11.091 ( -0.857 -3.873 3.544) 5.319 11.254 ( -2.616 -3.222 4.497) 6.119 11.704 ( -0.153 -8.357 1.130) 8.435 12.035 ( 0.183 6.895 -3.216) 7.610 12.964 ( 3.243 4.499 -0.302) 5.554 13.552 ( -1.822 -5.846 1.813) 6.387 13.615 ( 1.738 1.257 2.671) 3.426 14.351 ( 2.590 2.828 -3.709) 5.335 ======================= Grid point 335 (160/398) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -5.529 13.629 3.801) 15.191 3.466 ( -2.248 2.004 -6.103) 6.806 3.799 ( 7.416 1.036 12.767) 14.801 4.013 ( -3.127 23.744 3.055) 24.143 4.202 ( 6.037 -12.589 0.702) 13.979 5.095 ( -0.781 -19.452 3.058) 19.706 5.553 ( -4.928 1.198 12.800) 13.767 6.874 ( -14.535 1.541 3.057) 14.932 7.909 ( 7.547 2.514 -8.510) 11.649 8.034 ( 5.758 -0.526 -8.854) 10.575 11.154 ( -2.377 -3.574 3.646) 5.631 11.276 ( -3.403 -0.517 3.997) 5.275 11.838 ( 0.096 -8.877 -1.820) 9.062 11.929 ( 2.612 7.001 -0.168) 7.474 12.940 ( 1.826 3.029 0.429) 3.563 13.532 ( -1.739 3.421 -0.707) 3.903 13.701 ( 0.481 -4.632 4.442) 6.436 14.299 ( 0.163 2.914 -3.436) 4.509 ======================= Grid point 336 (161/398) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -4.492 19.761 6.918) 21.413 3.364 ( -2.928 6.706 -2.647) 7.782 3.632 ( -3.879 20.403 5.366) 21.451 4.076 ( 11.831 -4.794 10.868) 16.765 4.454 ( 1.628 -12.707 2.215) 13.001 5.285 ( 1.416 -3.483 3.106) 4.877 5.561 ( -2.656 4.463 12.897) 13.904 6.671 ( -14.262 4.042 0.997) 14.858 7.948 ( 7.794 -3.375 -8.123) 11.752 8.084 ( 5.433 -5.896 -8.263) 11.514 11.176 ( -4.394 -0.696 3.740) 5.812 11.253 ( -2.909 1.273 2.734) 4.190 11.788 ( 2.607 10.677 0.343) 10.996 12.030 ( 1.097 -12.570 -2.865) 12.939 12.937 ( 0.688 0.576 1.785) 1.998 13.434 ( -3.532 4.381 -1.121) 5.738 13.795 ( 1.358 -2.113 3.945) 4.676 14.221 ( -1.590 3.368 -2.763) 4.637 ======================= Grid point 337 (162/398) ======================= q-point: (-0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.486 14.991 11.545) 18.927 3.096 ( -4.989 25.054 10.962) 27.799 3.462 ( -1.544 2.296 -3.546) 4.497 4.347 ( 9.524 1.450 9.903) 13.816 4.606 ( -5.578 -9.874 2.617) 11.639 5.351 ( 8.584 6.933 12.257) 16.491 5.554 ( -0.703 3.702 4.771) 6.080 6.430 ( -12.219 6.043 -1.706) 13.738 8.059 ( 6.303 -7.760 -7.525) 12.512 8.198 ( 4.174 -9.538 -7.315) 12.724 11.113 ( -4.477 4.577 2.678) 6.940 11.220 ( -3.402 1.008 2.175) 4.161 11.667 ( 2.202 11.235 1.681) 11.571 12.203 ( 2.092 -12.750 -4.844) 13.798 12.972 ( -0.404 -2.478 3.240) 4.099 13.313 ( -4.676 4.039 -0.985) 6.257 13.853 ( 2.151 0.817 3.123) 3.879 14.118 ( -2.915 4.614 -2.317) 5.929 ======================= Grid point 338 (163/398) ======================= q-point: (-0.08 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 5.918 7.097 14.954) 17.579 2.784 ( -4.784 24.924 19.282) 31.873 3.403 ( -1.130 -0.388 -5.706) 5.830 4.275 ( -5.548 24.160 17.433) 30.305 4.729 ( -0.883 -13.384 -6.331) 14.832 5.476 ( 0.836 -1.788 -5.377) 5.728 5.571 ( 11.232 8.655 22.265) 26.396 6.190 ( -6.158 7.213 -3.664) 10.167 8.193 ( 3.776 -9.578 -6.835) 12.358 8.331 ( 2.870 -10.020 -6.506) 12.287 11.002 ( -2.816 6.538 2.062) 7.411 11.162 ( -4.089 2.562 1.069) 4.942 11.555 ( 0.986 9.521 2.697) 9.945 12.372 ( 4.722 -10.771 -5.317) 12.906 13.036 ( -2.407 -4.597 3.255) 6.126 13.197 ( -4.487 3.051 -0.502) 5.449 13.876 ( 2.780 3.036 2.506) 4.819 13.981 ( -3.995 6.042 -2.157) 7.558 ======================= Grid point 343 (164/398) ======================= q-point: ( 0.33 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -9.083 0.000 11.742) 14.845 3.079 ( -1.825 0.000 -10.384) 10.544 3.219 ( -4.053 0.000 27.816) 28.110 3.595 ( 7.678 -0.000 1.477) 7.819 4.728 ( 0.342 -0.000 5.021) 5.032 4.781 ( 6.676 -0.000 -15.462) 16.841 5.503 ( -7.698 0.000 5.324) 9.360 7.139 ( -6.958 0.000 8.337) 10.859 8.290 ( 1.236 -0.000 -4.645) 4.807 8.336 ( -0.909 0.000 -8.352) 8.401 10.921 ( 1.924 -0.000 2.596) 3.231 11.036 ( 0.036 -0.000 2.780) 2.780 11.427 ( -0.799 0.000 7.170) 7.214 12.381 ( -6.777 0.000 -9.564) 11.721 13.038 ( 5.426 -0.000 -1.513) 5.633 13.265 ( -5.561 0.000 2.440) 6.073 13.571 ( 7.354 -0.000 1.723) 7.553 14.330 ( 9.872 -0.000 -1.243) 9.950 ======================= Grid point 344 (165/398) ======================= q-point: ( 0.42 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -6.595 -12.192 8.996) 16.525 3.072 ( 1.089 -7.029 -2.555) 7.557 3.418 ( -10.427 -10.733 25.876) 29.891 3.720 ( 12.955 -0.249 -1.035) 12.999 4.642 ( 1.920 10.894 -0.582) 11.078 4.830 ( 4.298 -4.120 -9.872) 11.529 5.422 ( -8.206 3.479 6.847) 11.240 7.083 ( -11.002 -1.523 4.034) 11.816 8.250 ( 0.806 2.997 -7.516) 8.131 8.256 ( 2.265 2.651 -5.074) 6.157 10.969 ( 1.265 -0.358 3.144) 3.408 11.069 ( -0.696 -2.745 2.379) 3.698 11.483 ( -1.551 -2.001 6.804) 7.260 12.240 ( -3.818 0.855 -7.431) 8.398 13.080 ( 4.746 1.376 -1.650) 5.210 13.257 ( -3.563 -3.414 3.946) 6.318 13.650 ( 4.519 0.960 1.579) 4.882 14.415 ( 8.276 1.075 -4.664) 9.561 ======================= Grid point 345 (166/398) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -2.471 -12.875 4.733) 13.938 3.231 ( -0.761 -10.919 4.891) 11.989 3.664 ( -4.344 -14.943 13.929) 20.885 3.932 ( 8.850 -7.874 6.740) 13.629 4.447 ( -1.634 16.520 1.028) 16.633 4.819 ( 4.831 3.687 -10.820) 12.410 5.352 ( -7.312 -0.759 8.644) 11.348 6.982 ( -12.912 -2.623 0.804) 13.200 8.152 ( 2.663 5.436 -7.397) 9.558 8.201 ( 3.784 4.621 -5.546) 8.151 11.008 ( -0.313 -1.444 2.575) 2.969 11.131 ( -1.449 -4.410 3.046) 5.552 11.544 ( -2.213 -3.428 5.007) 6.459 12.154 ( 0.270 1.907 -4.212) 4.631 13.087 ( 3.294 2.981 -1.462) 4.677 13.332 ( -1.679 -6.396 5.187) 8.405 13.681 ( 1.869 1.780 1.124) 2.815 14.428 ( 5.117 2.289 -7.177) 9.107 ======================= Grid point 346 (167/398) ======================= q-point: (-0.42 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -0.351 -7.816 3.742) 8.672 3.375 ( -5.841 -8.743 4.874) 11.590 3.919 ( 4.805 -8.852 -0.373) 10.079 4.106 ( 2.855 13.791 9.845) 17.183 4.354 ( -4.129 -15.336 11.601) 19.668 4.670 ( 4.251 12.261 -7.242) 14.861 5.416 ( -3.944 -7.587 8.552) 12.093 6.856 ( -13.142 -2.549 -1.076) 13.430 8.053 ( 4.390 6.100 -7.687) 10.750 8.137 ( 5.383 5.675 -6.390) 10.100 11.047 ( -1.598 -3.078 2.278) 4.149 11.195 ( -2.817 -4.410 3.518) 6.305 11.608 ( -2.058 -5.383 2.655) 6.345 12.119 ( 3.767 4.138 -1.145) 5.712 13.057 ( 1.652 4.156 -0.817) 4.546 13.461 ( -0.737 -7.209 5.277) 8.965 13.665 ( -0.410 2.139 0.535) 2.242 14.375 ( 1.834 2.506 -7.810) 8.405 ======================= Grid point 347 (168/398) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -2.230 3.659 3.183) 5.338 3.396 ( -5.514 -1.717 0.157) 5.777 3.900 ( -4.447 -3.396 0.782) 5.650 4.252 ( 13.832 0.147 11.299) 17.861 4.317 ( -4.008 19.095 3.086) 19.754 4.813 ( 1.700 -21.497 4.246) 21.979 5.569 ( -0.985 -6.593 11.410) 13.215 6.711 ( -12.789 -1.246 -2.310) 13.055 7.977 ( 5.690 4.373 -8.217) 10.909 8.081 ( 6.583 4.712 -7.244) 10.864 11.090 ( -2.774 -3.917 2.473) 5.399 11.236 ( -3.712 -2.930 3.644) 5.970 11.695 ( -1.261 -8.099 0.432) 8.208 12.093 ( 5.220 7.576 0.621) 9.221 13.006 ( 0.166 3.782 0.325) 3.799 13.526 ( -2.991 0.824 -0.045) 3.103 13.678 ( 0.236 -4.274 4.349) 6.103 14.294 ( -0.554 1.914 -6.614) 6.907 ======================= Grid point 348 (169/398) ======================= q-point: (-0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -3.741 13.534 3.561) 14.486 3.346 ( -2.618 0.079 -0.937) 2.782 3.957 ( -2.269 16.423 3.629) 16.972 4.043 ( -3.478 -7.964 0.901) 8.737 4.500 ( 8.721 -0.393 14.349) 16.796 5.129 ( 0.906 -16.531 1.012) 16.587 5.740 ( 3.421 -0.014 15.806) 16.172 6.535 ( -12.465 0.947 -3.607) 13.011 7.950 ( 6.078 0.404 -8.622) 10.556 8.063 ( 6.885 1.107 -7.706) 10.393 11.123 ( -3.702 -3.045 3.163) 5.743 11.238 ( -4.071 -0.519 2.953) 5.056 11.814 ( 0.132 -9.634 -1.209) 9.711 12.033 ( 4.425 9.804 1.008) 10.804 12.969 ( -0.746 1.885 1.873) 2.761 13.422 ( -5.335 3.524 -2.277) 6.788 13.799 ( 1.267 -4.531 5.112) 6.947 14.208 ( -1.912 1.801 -4.781) 5.455 ======================= Grid point 349 (170/398) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -0.377 11.372 6.559) 13.134 3.310 ( -0.769 2.269 0.249) 2.409 3.619 ( -3.064 23.799 5.019) 24.515 4.241 ( -4.111 -19.318 -2.721) 19.937 4.668 ( 3.264 4.877 15.817) 16.871 5.322 ( 0.220 -10.081 -2.274) 10.337 5.880 ( 7.191 8.570 18.621) 21.723 6.337 ( -9.369 2.193 -4.214) 10.504 7.981 ( 5.277 -4.161 -8.692) 10.987 8.105 ( 6.053 -3.832 -7.521) 10.387 11.124 ( -3.919 0.577 3.960) 5.601 11.201 ( -4.177 0.741 1.814) 4.614 11.869 ( 3.135 8.865 0.199) 9.405 12.027 ( 1.597 -8.989 -1.740) 9.294 12.966 ( -1.452 -0.396 3.286) 3.614 13.283 ( -6.183 2.980 -2.198) 7.207 13.902 ( 1.892 -1.776 4.359) 5.073 14.115 ( -2.757 3.002 -3.435) 5.330 ======================= Grid point 350 (171/398) ======================= q-point: (-0.08 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 4.787 4.525 9.288) 11.386 3.220 ( -0.420 20.016 12.640) 23.677 3.354 ( -2.307 4.859 -4.109) 6.768 4.406 ( -7.891 -16.651 -3.739) 18.802 4.655 ( -0.184 16.009 14.151) 21.367 5.371 ( -1.599 -3.778 -8.374) 9.325 5.924 ( -4.145 7.734 12.879) 15.584 6.267 ( 8.729 3.759 5.450) 10.956 8.055 ( 3.627 -7.384 -8.434) 11.782 8.197 ( 4.450 -7.382 -7.054) 11.138 11.071 ( -2.561 4.581 3.555) 6.339 11.149 ( -4.270 1.387 1.939) 4.890 11.739 ( 1.822 12.008 0.765) 12.169 12.213 ( 3.383 -13.718 -3.273) 14.503 12.983 ( -3.119 -1.713 3.257) 4.824 13.166 ( -4.681 1.602 -0.809) 5.013 13.963 ( 2.063 1.121 3.636) 4.329 13.997 ( -3.056 4.985 -2.724) 6.451 ======================= Grid point 356 (172/398) ======================= q-point: ( 0.42 0.42 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -7.788 0.000 12.662) 14.865 3.073 ( 5.327 -0.000 5.361) 7.558 3.384 ( -12.677 0.000 21.802) 25.220 3.869 ( 12.136 -0.000 0.075) 12.136 4.758 ( 8.713 -0.000 -12.027) 14.851 4.759 ( -2.945 0.000 1.589) 3.346 5.408 ( -6.726 0.000 6.194) 9.144 6.928 ( -13.148 0.000 -1.211) 13.204 8.243 ( 2.625 -0.000 -6.023) 6.570 8.265 ( 2.238 -0.000 -4.621) 5.134 11.004 ( 0.125 -0.000 2.915) 2.917 11.049 ( -1.173 0.000 1.551) 1.945 11.495 ( -2.782 0.000 6.587) 7.151 12.176 ( 0.345 -0.000 -4.472) 4.485 13.110 ( 0.988 -0.000 -1.135) 1.505 13.254 ( 0.587 -0.000 5.003) 5.038 13.707 ( 1.891 -0.000 1.102) 2.189 14.464 ( 6.198 -0.000 -8.644) 10.636 ======================= Grid point 357 (173/398) ======================= q-point: ( 0.50 0.42 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -5.471 -12.317 10.576) 17.132 3.219 ( 1.649 -0.613 11.842) 11.972 3.482 ( -8.110 -13.470 16.814) 23.020 4.019 ( 7.510 -1.831 3.560) 8.511 4.632 ( -1.964 10.391 -0.618) 10.594 4.817 ( 7.929 -2.295 -10.072) 13.022 5.356 ( -5.556 2.942 7.400) 9.710 6.760 ( -12.891 -2.965 -5.182) 14.206 8.208 ( 3.537 4.018 -5.531) 7.697 8.253 ( 3.582 1.533 -4.721) 6.121 11.006 ( -1.442 0.235 1.733) 2.266 11.074 ( -1.690 -3.348 1.969) 4.236 11.513 ( -3.645 -1.582 5.523) 6.803 12.181 ( 4.602 0.788 -1.132) 4.805 13.112 ( 0.045 -0.423 -0.933) 1.026 13.321 ( 1.157 -1.601 6.193) 6.501 13.714 ( -0.479 0.970 0.320) 1.128 14.433 ( 2.854 1.218 -11.316) 11.734 ======================= Grid point 358 (174/398) ======================= q-point: (-0.42 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -1.871 -14.364 7.172) 16.164 3.284 ( -6.375 -1.978 10.731) 12.638 3.740 ( -6.054 -13.411 5.339) 15.653 4.175 ( -0.753 -7.973 12.475) 14.824 4.474 ( 3.875 10.714 3.775) 12.002 4.823 ( 7.688 6.488 -8.564) 13.211 5.359 ( -2.056 -3.372 8.900) 9.737 6.617 ( -11.368 -4.709 -7.609) 14.468 8.137 ( 4.143 5.841 -6.322) 9.553 8.232 ( 5.402 4.047 -5.042) 8.425 11.004 ( -2.135 -1.561 1.521) 3.051 11.120 ( -2.606 -4.291 2.368) 5.551 11.538 ( -3.607 -3.213 4.171) 6.382 12.234 ( 7.144 2.618 0.946) 7.667 13.097 ( -0.400 1.394 -1.073) 1.804 13.426 ( 0.427 -4.204 7.107) 8.268 13.673 ( -2.582 1.684 -0.793) 3.182 14.339 ( -0.208 1.244 -11.513) 11.582 ======================= Grid point 359 (175/398) ======================= q-point: (-0.33 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -0.023 -5.372 4.645) 7.102 3.305 ( -6.944 -3.029 6.734) 10.136 3.696 ( -13.301 -4.893 -4.018) 14.731 4.399 ( -7.789 -7.581 11.910) 16.124 4.536 ( 8.119 3.567 12.586) 15.397 4.743 ( 8.966 4.294 -3.474) 10.531 5.550 ( 4.289 -9.591 11.333) 15.454 6.485 ( -10.353 -4.170 -9.085) 14.392 8.055 ( 4.999 5.860 -7.546) 10.783 8.193 ( 6.594 5.785 -5.822) 10.528 11.023 ( -2.423 -3.033 2.051) 4.391 11.164 ( -3.504 -4.100 2.785) 6.070 11.586 ( -2.665 -5.438 2.718) 6.638 12.277 ( 7.533 5.980 1.238) 9.698 13.049 ( -1.330 2.808 -0.043) 3.108 13.497 ( -3.530 0.683 0.637) 3.651 13.646 ( -0.972 -4.049 3.761) 5.612 14.232 ( -1.922 0.148 -9.203) 9.403 ======================= Grid point 360 (176/398) ======================= q-point: (-0.25 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -2.166 8.911 2.208) 9.432 3.302 ( -4.074 -1.466 2.934) 5.230 3.683 ( -11.109 -17.750 -1.139) 20.971 4.274 ( -3.779 17.405 3.501) 18.151 4.676 ( 0.153 -3.949 14.213) 14.752 4.951 ( 6.202 -11.248 2.470) 13.080 5.878 ( 9.298 -8.025 16.034) 20.197 6.328 ( -10.766 -2.343 -10.202) 15.016 7.985 ( 5.590 4.031 -8.882) 11.242 8.147 ( 7.004 5.387 -6.589) 11.023 11.060 ( -2.471 -3.450 3.006) 5.200 11.185 ( -4.427 -2.464 2.957) 5.866 11.675 ( -1.135 -8.311 1.097) 8.460 12.254 ( 6.166 10.282 0.375) 11.995 12.997 ( -1.815 2.169 1.608) 3.253 13.372 ( -6.816 3.310 -3.491) 8.342 13.778 ( 0.842 -6.289 6.218) 8.883 14.149 ( -2.427 -0.432 -6.210) 6.682 ======================= Grid point 361 (177/398) ======================= q-point: (-0.17 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -1.314 9.104 3.238) 9.751 3.299 ( -1.329 -0.639 0.791) 1.673 3.840 ( -10.563 -21.290 -0.325) 23.769 3.972 ( -1.637 22.339 3.527) 22.675 4.846 ( -0.908 -2.994 15.414) 15.728 5.158 ( 2.196 -9.322 -1.957) 9.775 6.082 ( -9.895 2.283 -0.414) 10.163 6.263 ( 9.167 -5.113 9.073) 13.874 7.947 ( 5.438 0.486 -9.930) 11.332 8.120 ( 6.476 2.449 -7.010) 9.852 11.101 ( -2.343 -2.413 4.094) 5.298 11.168 ( -4.743 -0.032 2.840) 5.528 11.813 ( 0.593 -11.098 -0.493) 11.125 12.144 ( 3.908 13.175 -0.623) 13.757 12.971 ( -2.187 0.664 2.678) 3.521 13.218 ( -6.679 2.204 -2.769) 7.559 13.915 ( 1.294 -4.393 5.518) 7.171 14.079 ( -2.545 0.615 -4.117) 4.879 ======================= Grid point 362 (178/398) ======================= q-point: (-0.08 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 2.176 2.408 5.520) 6.403 3.294 ( -0.077 0.114 -1.326) 1.333 3.654 ( -1.051 22.706 5.855) 23.473 4.016 ( -9.347 -19.361 -0.541) 21.506 4.931 ( -1.599 6.589 14.532) 16.036 5.214 ( -1.169 -3.671 -10.591) 11.270 5.891 ( -13.403 -0.204 -0.006) 13.405 6.539 ( 12.488 0.500 14.401) 19.068 7.953 ( 4.471 -3.563 -10.225) 11.715 8.132 ( 4.943 -1.866 -7.208) 8.937 11.119 ( -3.395 2.458 3.353) 5.368 11.130 ( -2.379 -0.626 4.422) 5.060 11.936 ( 2.628 6.943 -1.275) 7.532 12.038 ( 0.980 -6.731 -1.831) 7.044 12.944 ( -4.411 -0.097 0.924) 4.508 13.132 ( -2.371 0.246 1.052) 2.606 13.985 ( -2.884 2.068 -1.409) 3.819 14.026 ( 1.775 -0.787 3.036) 3.604 ======================= Grid point 369 (179/398) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -6.606 0.000 13.576) 15.098 3.332 ( -13.568 0.000 14.600) 19.931 3.422 ( 5.189 -0.000 15.658) 16.495 4.099 ( 1.193 -0.000 5.707) 5.830 4.663 ( -2.824 0.000 -0.629) 2.893 4.843 ( 11.244 -0.000 -8.619) 14.167 5.385 ( -2.581 0.000 6.767) 7.242 6.524 ( -11.137 0.000 -10.455) 15.275 8.250 ( 2.465 -0.000 -4.830) 5.423 8.271 ( 5.818 -0.000 -4.361) 7.271 10.999 ( -2.460 0.000 1.352) 2.807 11.038 ( -1.578 0.000 1.436) 2.134 11.494 ( -4.474 0.000 5.644) 7.202 12.267 ( 7.834 -0.000 1.226) 7.929 13.096 ( -0.715 0.000 -0.256) 0.759 13.376 ( 0.992 -0.000 6.679) 6.752 13.701 ( -2.554 0.000 -0.848) 2.691 14.358 ( -0.213 0.000 -13.835) 13.836 ======================= Grid point 370 (180/398) ======================= q-point: (-0.42 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -5.229 -12.856 11.773) 18.199 3.266 ( -11.651 -0.083 12.186) 16.859 3.584 ( -5.721 -3.624 7.692) 10.249 4.143 ( -6.802 -3.721 10.914) 13.388 4.642 ( 3.092 2.899 5.133) 6.656 4.927 ( 11.505 1.304 -7.505) 13.798 5.414 ( 1.744 1.097 8.541) 8.786 6.339 ( -8.721 -4.467 -14.071) 17.147 8.213 ( 3.279 3.988 -5.344) 7.430 8.307 ( 6.511 1.670 -4.469) 8.072 10.977 ( -2.080 -0.111 1.475) 2.552 11.052 ( -2.311 -2.998 1.679) 4.141 11.492 ( -4.492 -1.501 5.445) 7.217 12.378 ( 9.208 1.526 1.866) 9.519 13.085 ( -1.079 -0.094 -0.782) 1.336 13.449 ( 0.055 -1.517 7.798) 7.944 13.636 ( -4.510 0.987 -2.517) 5.258 14.231 ( -2.507 -0.075 -13.373) 13.607 ======================= Grid point 371 (181/398) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -2.413 -16.313 8.237) 18.433 3.237 ( -9.762 -2.862 8.786) 13.442 3.455 ( -14.986 2.831 -2.167) 15.404 4.230 ( -13.170 -10.734 14.814) 22.542 4.727 ( 2.504 2.767 10.141) 10.806 4.935 ( 11.136 7.133 -5.736) 14.415 5.609 ( 10.070 -7.274 12.492) 17.617 6.203 ( -7.697 -5.940 -15.626) 18.404 8.143 ( 4.216 5.693 -6.435) 9.571 8.309 ( 6.985 4.585 -5.274) 9.881 10.981 ( -1.552 -1.587 2.146) 3.088 11.083 ( -3.127 -3.870 2.226) 5.451 11.513 ( -3.836 -3.321 4.624) 6.865 12.463 ( 9.002 4.407 0.860) 10.060 13.053 ( -1.929 1.162 -0.505) 2.308 13.465 ( -5.557 2.812 -1.945) 6.525 13.603 ( -1.102 -4.771 5.569) 7.416 14.114 ( -3.107 -1.520 -10.046) 10.624 ======================= Grid point 372 (182/398) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -1.526 0.550 3.219) 3.605 3.231 ( -10.153 -10.862 -0.699) 14.884 3.281 ( -11.981 -5.661 5.633) 14.399 4.319 ( -13.709 -8.002 12.744) 20.356 4.675 ( -4.187 5.674 5.393) 8.878 5.031 ( 11.730 -0.281 1.142) 11.788 6.009 ( 13.551 -10.631 15.184) 22.960 6.052 ( -9.588 -4.000 -14.846) 18.120 8.060 ( 5.083 6.064 -8.008) 11.258 8.271 ( 6.965 6.403 -6.205) 11.315 11.015 ( -1.302 -2.746 2.939) 4.228 11.114 ( -3.813 -3.340 3.198) 5.994 11.566 ( -2.736 -5.895 2.802) 7.077 12.473 ( 7.485 8.747 -1.076) 11.563 13.006 ( -2.396 1.465 0.715) 2.898 13.298 ( -7.698 3.324 -4.519) 9.526 13.743 ( 0.369 -6.726 7.443) 10.039 14.044 ( -2.717 -2.525 -6.521) 7.502 ======================= Grid point 373 (183/398) ======================= q-point: (-0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -5.323 6.959 0.377) 8.770 3.286 ( -0.612 -1.235 2.779) 3.102 3.384 ( -13.009 -22.988 3.343) 26.624 4.225 ( -4.352 12.562 2.731) 13.572 4.726 ( -10.490 -14.367 13.846) 22.543 5.170 ( 9.122 0.169 -1.341) 9.222 5.841 ( -13.375 -2.546 -13.168) 18.941 6.434 ( 11.923 -7.886 16.642) 21.939 7.977 ( 5.478 4.810 -9.814) 12.226 8.211 ( 6.413 6.182 -6.855) 11.240 11.066 ( -1.681 -3.096 3.584) 5.026 11.132 ( -3.570 -1.534 4.386) 5.859 11.661 ( -1.463 -9.356 0.491) 9.482 12.379 ( 5.060 13.098 -2.632) 14.286 12.961 ( -3.571 1.069 0.408) 3.750 13.152 ( -4.997 1.362 -1.345) 5.352 13.897 ( 0.528 -5.956 6.367) 8.734 14.007 ( -2.153 -2.028 -4.083) 5.042 ======================= Grid point 374 (184/398) ======================= q-point: (-0.08 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -4.556 -0.401 2.439) 5.184 3.308 ( 1.593 1.032 0.482) 1.958 3.578 ( -10.874 -20.420 3.205) 23.356 3.993 ( -0.257 15.774 1.466) 15.844 4.910 ( -10.027 -10.232 10.652) 17.852 5.190 ( 5.558 3.933 -9.429) 11.630 5.649 ( -15.237 -5.772 -0.909) 16.319 6.764 ( 8.644 -3.333 14.868) 17.518 7.914 ( 5.117 1.618 -11.157) 12.380 8.155 ( 5.285 3.917 -7.349) 9.863 11.099 ( -3.337 -1.173 4.103) 5.417 11.152 ( -0.990 -0.729 5.173) 5.317 11.801 ( -0.846 -12.470 -1.523) 12.591 12.200 ( 2.893 15.143 -2.832) 15.674 12.885 ( -4.861 0.725 -1.431) 5.119 13.134 ( 0.325 -0.978 3.152) 3.316 13.949 ( -2.809 -0.196 -2.280) 3.624 14.043 ( 1.372 -3.700 4.580) 6.046 ======================= Grid point 382 (185/398) ======================= q-point: (-0.42 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -8.155 0.000 13.686) 15.931 3.181 ( -14.365 0.000 10.681) 17.901 3.547 ( -8.080 0.000 3.567) 8.832 4.061 ( -15.701 0.000 12.895) 20.317 4.761 ( 4.662 -0.000 9.191) 10.305 5.040 ( 12.697 -0.000 -5.693) 13.915 5.541 ( 6.093 -0.000 9.942) 11.660 6.082 ( -5.804 0.000 -19.330) 20.183 8.239 ( 2.856 -0.000 -5.057) 5.808 8.373 ( 7.515 -0.000 -4.578) 8.800 10.970 ( -1.301 0.000 1.912) 2.313 11.011 ( -2.540 0.000 1.627) 3.016 11.468 ( -4.826 0.000 6.034) 7.726 12.523 ( 9.898 -0.000 1.300) 9.983 13.063 ( -1.328 0.000 -0.955) 1.636 13.499 ( -0.543 0.000 8.794) 8.811 13.545 ( -6.519 0.000 -5.182) 8.327 14.088 ( -3.626 0.000 -12.060) 12.594 ======================= Grid point 383 (186/398) ======================= q-point: (-0.33 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -9.738 -15.046 11.505) 21.297 3.091 ( -14.717 -2.232 6.554) 16.264 3.393 ( -9.266 6.585 0.417) 11.375 3.998 ( -21.894 -8.133 17.085) 28.938 4.867 ( 2.028 3.238 8.652) 9.458 5.111 ( 10.590 4.002 -5.281) 12.492 5.766 ( 12.031 -4.603 13.234) 18.468 5.906 ( -4.270 -4.790 -19.957) 20.963 8.212 ( 3.648 3.408 -5.495) 7.424 8.411 ( 7.398 2.681 -5.258) 9.464 10.972 ( -0.962 -0.073 2.331) 2.523 11.017 ( -2.498 -2.803 2.401) 4.457 11.464 ( -4.886 -1.587 5.405) 7.457 12.630 ( 9.540 2.536 -0.610) 9.890 13.034 ( -1.889 0.391 -0.803) 2.090 13.387 ( -7.948 2.293 -6.549) 10.550 13.587 ( -0.575 -3.381 8.833) 9.475 13.976 ( -3.208 -1.614 -8.493) 9.221 ======================= Grid point 384 (187/398) ======================= q-point: (-0.25 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -11.141 -23.691 8.207) 27.436 2.918 ( -15.298 2.841 -2.853) 15.818 3.262 ( -4.150 1.662 6.720) 8.071 4.018 ( -24.597 -15.119 20.094) 35.176 4.790 ( -1.072 10.715 -1.435) 10.864 5.184 ( 9.714 0.487 0.376) 9.733 5.753 ( -5.684 -3.269 -19.680) 20.744 6.158 ( 12.490 -9.773 17.025) 23.268 8.150 ( 4.688 5.825 -6.699) 10.039 8.396 ( 6.906 5.490 -6.100) 10.726 10.990 ( -1.575 -1.784 2.970) 3.806 11.057 ( -1.851 -3.052 3.561) 5.042 11.477 ( -4.607 -3.782 3.376) 6.850 12.664 ( 8.232 6.469 -3.374) 11.000 12.994 ( -2.478 1.024 -0.234) 2.692 13.207 ( -7.438 2.128 -4.821) 9.116 13.717 ( -0.013 -5.633 8.530) 10.222 13.922 ( -2.399 -3.105 -5.602) 6.840 ======================= Grid point 385 (188/398) ======================= q-point: (-0.17 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -15.771 1.046 -3.393) 16.166 2.941 ( -11.380 -22.659 8.309) 26.683 3.299 ( 1.498 -1.345 3.916) 4.403 4.131 ( -20.743 -16.724 19.137) 32.806 4.603 ( -2.491 5.313 -4.199) 7.215 5.302 ( 9.586 1.981 -0.267) 9.792 5.537 ( -11.528 -1.350 -14.887) 18.876 6.568 ( 8.981 -9.543 16.605) 21.154 8.061 ( 5.529 7.112 -8.615) 12.465 8.336 ( 6.357 7.221 -6.664) 11.703 11.027 ( -2.248 -2.878 4.035) 5.442 11.108 ( -1.402 -2.383 4.455) 5.243 11.517 ( -3.679 -7.099 0.713) 8.027 12.591 ( 5.800 11.101 -5.243) 13.578 12.927 ( -4.044 1.959 -1.338) 4.688 13.112 ( -2.461 -0.462 0.492) 2.552 13.860 ( -0.654 -5.397 5.151) 7.490 13.916 ( -1.023 -4.296 -1.701) 4.733 ======================= Grid point 386 (189/398) ======================= q-point: (-0.08 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -14.262 -4.680 -0.616) 15.023 3.179 ( -11.897 -22.096 8.793) 26.590 3.366 ( 4.321 0.244 1.450) 4.564 4.125 ( -5.433 5.633 -0.751) 7.862 4.664 ( -9.702 -19.675 10.736) 24.423 5.160 ( -5.742 8.264 -17.667) 20.332 5.471 ( -2.525 -3.727 6.147) 7.619 6.884 ( 3.596 -6.520 14.796) 16.563 7.958 ( 6.089 6.639 -10.700) 13.987 8.252 ( 5.774 7.473 -7.057) 11.790 11.073 ( -2.572 -2.452 5.352) 6.424 11.158 ( -0.862 -1.989 4.376) 4.884 11.602 ( -2.755 -10.589 -1.327) 11.022 12.426 ( 3.804 14.349 -4.573) 15.533 12.841 ( -2.794 1.761 -1.572) 3.657 13.146 ( 1.221 -2.437 3.227) 4.224 13.879 ( -2.431 -2.093 -2.549) 4.098 14.028 ( 0.773 -5.515 5.455) 7.796 ======================= Grid point 395 (190/398) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -17.141 0.000 11.845) 20.835 2.934 ( -16.372 0.000 5.189) 17.175 3.355 ( -3.951 0.000 -1.867) 4.370 3.763 ( -29.655 0.000 22.943) 37.494 4.992 ( 2.057 -0.000 8.044) 8.303 5.172 ( 3.318 -0.000 -10.827) 11.324 5.700 ( 2.709 -0.000 -19.030) 19.221 5.989 ( 11.326 -0.000 16.307) 19.854 8.244 ( 4.076 -0.000 -5.108) 6.535 8.479 ( 7.037 -0.000 -5.584) 8.983 10.972 ( -3.233 0.000 3.209) 4.555 10.998 ( 0.573 -0.000 2.410) 2.477 11.426 ( -5.857 0.000 4.733) 7.530 12.753 ( 9.272 -0.000 -3.076) 9.769 13.009 ( -1.654 0.000 -0.532) 1.738 13.244 ( -8.315 0.000 -7.362) 11.106 13.628 ( -0.489 0.000 9.543) 9.555 13.872 ( -2.399 0.000 -5.951) 6.417 ======================= Grid point 396 (191/398) ======================= q-point: (-0.25 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -20.497 -17.814 9.767) 28.859 2.741 ( -17.377 0.222 -0.440) 17.384 3.301 ( -0.818 2.241 3.278) 4.054 3.649 ( -32.065 -10.924 26.206) 42.829 4.902 ( -1.135 11.175 -9.873) 14.954 5.188 ( -0.040 -8.206 -2.378) 8.544 5.619 ( 5.264 4.173 -12.603) 14.281 6.303 ( 9.331 -6.917 17.327) 20.861 8.233 ( 5.087 3.720 -5.560) 8.404 8.495 ( 6.353 3.097 -5.984) 9.261 10.969 ( -2.912 -0.982 4.344) 5.321 11.039 ( 0.495 -1.761 2.560) 3.146 11.392 ( -6.334 -1.928 2.814) 7.194 12.802 ( 8.154 3.633 -6.234) 10.888 12.980 ( -1.831 1.373 -0.270) 2.304 13.102 ( -5.926 -0.346 -3.852) 7.076 13.720 ( -0.214 -3.178 9.017) 9.563 13.823 ( -1.562 -1.826 -4.190) 4.830 ======================= Grid point 397 (192/398) ======================= q-point: (-0.17 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -21.746 -14.214 2.843) 26.134 2.584 ( -15.716 -13.272 2.838) 20.765 3.340 ( 2.526 -1.343 4.191) 5.074 3.693 ( -31.128 -21.184 28.707) 47.347 4.620 ( -2.130 9.233 -17.330) 19.751 5.275 ( -4.717 -6.217 -0.493) 7.820 5.500 ( 7.038 9.594 -7.835) 14.247 6.643 ( 4.540 -9.146 16.294) 19.228 8.177 ( 6.211 7.078 -7.000) 11.733 8.460 ( 6.043 5.833 -6.026) 10.337 10.996 ( -2.594 -2.262 5.327) 6.342 11.094 ( -0.219 -2.333 3.114) 3.897 11.378 ( -5.573 -4.988 0.440) 7.493 12.750 ( 5.692 7.869 -7.105) 12.034 12.913 ( -1.855 2.929 -1.469) 3.765 13.076 ( -0.933 -2.526 0.890) 2.836 13.800 ( -1.442 -2.548 -1.662) 3.367 13.857 ( 0.132 -5.546 6.172) 8.299 ======================= Grid point 398 (193/398) ======================= q-point: (-0.08 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -21.054 -7.651 -1.425) 22.447 2.754 ( -15.741 -24.879 9.854) 31.046 3.432 ( 5.400 -1.221 1.027) 5.630 3.927 ( -22.278 -24.770 24.673) 41.456 4.359 ( -5.088 -0.817 -15.896) 16.710 5.137 ( -5.008 10.551 -5.923) 13.096 5.504 ( 5.439 -0.255 1.246) 5.586 6.901 ( -1.917 -7.790 14.091) 16.214 8.082 ( 7.540 9.128 -8.951) 14.842 8.390 ( 6.165 8.053 -5.846) 11.706 11.048 ( -2.240 -3.037 5.953) 7.048 11.144 ( -1.145 -2.334 3.547) 4.398 11.413 ( -3.837 -8.630 -1.234) 9.525 12.629 ( 5.083 11.655 -5.158) 13.722 12.842 ( -0.433 2.740 -1.971) 3.403 13.139 ( 1.269 -3.788 2.489) 4.707 13.800 ( -1.645 -2.445 -2.479) 3.851 13.993 ( 0.087 -6.090 5.900) 8.479 ======================= Grid point 408 (194/398) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -25.318 0.000 13.416) 28.653 2.475 ( -21.939 0.000 -5.089) 22.522 3.352 ( 3.737 -0.000 -0.387) 3.756 3.360 ( -39.105 0.000 36.488) 53.484 4.801 ( -6.735 0.000 -23.062) 24.026 5.134 ( 2.592 -0.000 3.714) 4.529 5.676 ( 7.003 -0.000 -7.548) 10.296 6.476 ( 5.074 -0.000 17.653) 18.368 8.289 ( 6.036 -0.000 -5.020) 7.851 8.545 ( 5.629 -0.000 -5.719) 8.024 10.964 ( -3.113 0.000 5.939) 6.706 11.052 ( 1.036 -0.000 1.351) 1.702 11.310 ( -7.289 0.000 1.621) 7.467 12.867 ( 7.108 -0.000 -8.290) 10.920 12.987 ( -0.144 0.000 0.890) 0.902 13.004 ( -3.697 0.000 -2.624) 4.534 13.763 ( -0.311 0.000 8.717) 8.723 13.768 ( -0.699 0.000 -3.212) 3.287 ======================= Grid point 409 (195/398) ======================= q-point: (-0.17 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -23.844 -17.650 13.988) 32.798 2.164 ( -24.867 -7.749 -7.000) 26.971 3.245 ( -38.804 -11.480 40.359) 57.152 3.413 ( 3.350 -1.582 0.468) 3.734 4.512 ( -5.682 4.110 -20.968) 22.110 5.207 ( 1.822 -1.780 1.465) 2.938 5.647 ( 5.587 6.355 -6.491) 10.664 6.685 ( -0.308 -5.662 16.095) 17.064 8.297 ( 7.053 4.671 -5.466) 10.072 8.552 ( 5.671 2.800 -4.885) 7.992 10.983 ( -2.818 -1.152 6.310) 7.006 11.084 ( 0.372 -1.591 1.526) 2.235 11.248 ( -6.625 -2.769 0.524) 7.200 12.853 ( 5.325 4.351 -5.511) 8.812 12.931 ( 0.585 2.740 -4.005) 4.888 13.034 ( 0.314 -3.438 1.080) 3.617 13.747 ( -0.335 -0.890 -2.532) 2.705 13.845 ( -0.499 -3.272 7.435) 8.138 ======================= Grid point 410 (196/398) ======================= q-point: (-0.08 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -25.818 -7.858 -1.548) 27.032 2.216 ( -19.618 -30.297 10.783) 37.671 3.383 ( -31.268 -27.295 36.784) 55.459 3.491 ( 2.069 -3.855 2.255) 4.922 4.235 ( -3.501 5.912 -17.067) 18.398 5.206 ( 1.110 5.706 -1.535) 6.012 5.589 ( 5.145 3.574 -3.841) 7.348 6.847 ( -6.624 -6.581 12.982) 15.992 8.248 ( 8.136 8.460 -6.822) 13.577 8.534 ( 6.795 5.999 -3.785) 9.823 11.020 ( -2.575 -2.692 4.723) 6.016 11.125 ( -1.305 -1.980 3.883) 4.550 11.249 ( -3.762 -6.475 -0.312) 7.495 12.804 ( 6.848 8.206 -5.963) 12.239 12.863 ( 0.295 2.575 -2.501) 3.602 13.111 ( 1.218 -4.340 1.837) 4.868 13.740 ( -0.486 -1.310 -2.125) 2.543 13.951 ( -0.809 -5.320 5.746) 7.872 ======================= Grid point 421 (197/398) ======================= q-point: (-0.17 -0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -25.668 0.000 24.791) 35.685 1.680 ( -31.196 0.000 -10.308) 32.855 2.977 ( -43.980 0.000 47.169) 64.491 3.457 ( 4.526 -0.000 -0.750) 4.588 4.321 ( -4.674 0.000 -16.889) 17.524 5.249 ( 4.597 -0.000 -0.145) 4.599 5.697 ( 3.814 -0.000 -7.197) 8.145 6.729 ( -5.443 0.000 14.660) 15.637 8.387 ( 7.574 -0.000 -4.333) 8.726 8.611 ( 6.182 -0.000 -3.075) 6.905 10.984 ( -3.270 0.000 4.974) 5.953 11.085 ( 0.717 -0.000 0.303) 0.779 11.159 ( -6.087 0.000 3.128) 6.844 12.917 ( 3.211 -0.000 -10.183) 10.677 12.925 ( 3.836 -0.000 -0.193) 3.841 13.026 ( 1.401 -0.000 1.638) 2.156 13.725 ( 0.413 -0.000 -2.189) 2.228 13.865 ( -1.230 0.000 6.540) 6.655 ======================= Grid point 422 (198/398) ======================= q-point: (-0.08 -0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -30.134 -6.471 -2.330) 30.909 1.661 ( -20.819 -26.656 25.264) 42.217 2.923 ( -41.820 -16.701 48.945) 66.509 3.511 ( 4.038 -1.423 -1.339) 4.486 4.158 ( -0.880 2.533 -10.928) 11.252 5.290 ( 4.994 2.384 -2.093) 5.917 5.655 ( 3.846 3.371 -6.895) 8.584 6.759 ( -10.808 -3.579 11.098) 15.899 8.406 ( 7.567 5.775 -4.467) 10.515 8.669 ( 8.646 2.613 -1.620) 9.176 10.973 ( -3.543 -1.674 0.885) 4.017 11.116 ( 0.195 -2.274 1.990) 3.028 11.154 ( -3.599 -2.371 5.883) 7.293 12.845 ( 1.562 2.187 -10.795) 11.125 12.964 ( 6.343 3.567 0.491) 7.294 13.084 ( 1.321 -3.214 1.645) 3.845 13.717 ( 0.497 -0.114 -1.736) 1.810 13.914 ( -1.858 -3.207 4.958) 6.190 ======================= Grid point 434 (199/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -20.315 0.000 15.501) 25.554 1.451 ( -19.243 0.000 37.506) 42.155 2.660 ( -44.208 0.000 54.330) 70.043 3.530 ( 2.773 -0.000 -1.634) 3.218 4.131 ( 3.913 -0.000 -4.924) 6.289 5.359 ( 6.490 -0.000 -3.288) 7.275 5.669 ( 4.301 -0.000 -8.940) 9.921 6.648 ( -14.975 0.000 7.757) 16.865 8.514 ( 6.606 -0.000 -2.845) 7.193 8.797 ( 10.681 -0.000 -3.234) 11.160 10.914 ( -2.996 0.000 -1.899) 3.547 11.103 ( 0.475 -0.000 0.169) 0.504 11.169 ( -3.094 0.000 10.041) 10.507 12.787 ( 1.303 -0.000 -12.290) 12.359 13.076 ( 6.608 -0.000 0.496) 6.627 13.086 ( 0.895 -0.000 1.717) 1.936 13.714 ( 0.806 -0.000 -1.291) 1.522 13.895 ( -2.792 0.000 3.652) 4.597 ======================= Grid point 435 (200/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 5.780 -0.000 28.149) 28.736 2.427 ( -11.996 0.000 33.655) 35.729 3.484 ( 2.812 -0.000 -4.136) 5.001 3.533 ( -26.092 0.000 39.135) 47.035 4.562 ( 14.687 -0.000 10.343) 17.963 5.325 ( 6.084 -0.000 -8.172) 10.188 5.411 ( 10.621 -0.000 -7.683) 13.108 6.235 ( -22.940 0.000 -2.409) 23.067 8.533 ( 2.862 -0.000 -3.742) 4.711 8.629 ( 1.921 -0.000 -7.569) 7.809 10.764 ( -2.390 0.000 -0.064) 2.391 11.069 ( -1.024 0.000 -2.890) 3.066 11.428 ( -6.235 0.000 10.485) 12.199 12.387 ( 7.603 -0.000 -13.248) 15.275 13.134 ( -1.945 0.000 1.208) 2.290 13.208 ( 4.081 -0.000 -1.224) 4.260 13.730 ( 1.106 -0.000 0.984) 1.480 13.847 ( -5.033 0.000 -0.136) 5.035 ======================= Grid point 436 (201/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 4.181 -0.965 24.095) 24.474 2.583 ( -11.385 -7.183 29.330) 32.272 3.419 ( -2.916 4.474 2.950) 6.101 3.675 ( -14.439 -14.690 26.688) 33.712 4.773 ( 7.810 -2.133 -2.316) 8.421 5.319 ( 2.536 -0.870 -10.780) 11.109 5.564 ( 18.985 3.095 9.040) 21.254 5.985 ( -17.735 -5.168 -2.591) 18.653 8.478 ( 1.615 6.030 -4.485) 7.687 8.573 ( 1.376 3.641 -6.593) 7.656 10.776 ( -1.221 -3.726 1.764) 4.300 11.041 ( -1.873 -2.184 -3.669) 4.663 11.441 ( -5.379 -1.545 9.004) 10.601 12.399 ( 10.275 1.090 -10.671) 14.854 13.120 ( -3.570 -1.732 0.679) 4.025 13.226 ( 1.194 0.784 -1.357) 1.970 13.759 ( 1.697 -0.529 2.051) 2.714 13.802 ( -4.962 -2.673 -0.678) 5.677 ======================= Grid point 437 (202/398) ======================= q-point: ( 0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 2.201 -1.324 19.293) 19.464 2.801 ( -7.986 -11.395 23.007) 26.888 3.345 ( -0.895 3.993 0.205) 4.097 3.969 ( -10.345 -21.079 21.631) 31.925 4.744 ( -0.965 2.955 -12.369) 12.754 5.244 ( -1.641 -1.931 -12.582) 12.835 5.812 ( -4.457 -5.258 8.597) 11.019 6.032 ( 16.806 -3.732 11.417) 20.657 8.346 ( 0.848 8.946 -5.753) 10.670 8.457 ( 1.869 7.621 -6.800) 10.384 10.858 ( -0.323 -5.969 3.448) 6.901 11.033 ( -2.570 -4.269 -2.797) 5.714 11.481 ( -3.983 -3.427 7.286) 8.983 12.430 ( 11.512 3.698 -8.945) 15.041 13.102 ( -4.786 -2.272 -0.058) 5.298 13.195 ( -1.767 1.675 -0.275) 2.451 13.783 ( -5.046 -4.382 -1.337) 6.816 13.832 ( 3.054 -2.660 3.340) 5.249 ======================= Grid point 438 (203/398) ======================= q-point: ( 0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 2.717 -0.762 13.603) 13.893 3.015 ( -4.604 -10.650 6.415) 13.258 3.325 ( -0.195 0.471 9.596) 9.609 4.334 ( -4.565 -22.678 13.568) 26.819 4.536 ( -7.951 3.715 -10.518) 13.698 5.151 ( -1.719 -0.959 -12.445) 12.600 5.860 ( -8.902 -8.689 4.447) 13.210 6.448 ( 20.006 -1.767 17.681) 26.758 8.161 ( 0.746 10.623 -7.654) 13.115 8.307 ( 2.559 9.393 -7.456) 12.262 10.975 ( -0.336 -6.096 4.077) 7.341 11.063 ( -2.447 -6.218 0.173) 6.684 11.551 ( -2.509 -5.007 5.320) 7.725 12.414 ( 9.656 8.010 -8.829) 15.341 13.052 ( -5.890 -0.321 -0.514) 5.921 13.162 ( -1.603 0.020 1.804) 2.413 13.782 ( -4.715 -5.735 -1.754) 7.629 13.952 ( 3.579 -3.795 4.119) 6.646 ======================= Grid point 439 (204/398) ======================= q-point: ( 0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 4.668 1.125 8.387) 9.665 3.075 ( -1.145 -6.769 -8.131) 10.641 3.494 ( -1.755 -6.992 19.833) 21.102 4.277 ( -5.829 6.605 -11.177) 14.231 4.698 ( -1.335 -19.227 2.524) 19.438 5.035 ( -7.384 -1.186 -2.782) 7.980 5.910 ( -9.296 -7.816 6.058) 13.572 6.801 ( 14.595 0.183 14.591) 20.639 7.959 ( 2.050 10.328 -9.473) 14.164 8.145 ( 2.538 8.789 -8.365) 12.396 11.067 ( -2.284 -5.390 3.285) 6.713 11.158 ( -0.595 -6.095 4.725) 7.734 11.644 ( -0.948 -6.758 2.833) 7.388 12.297 ( 5.179 11.425 -8.602) 15.210 12.967 ( -5.840 1.121 -0.856) 6.008 13.183 ( 0.861 -0.641 3.236) 3.409 13.803 ( -3.977 -6.348 -1.637) 7.668 14.077 ( 3.139 -2.940 4.292) 6.076 ======================= Grid point 440 (205/398) ======================= q-point: (-0.58 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 3.432 4.309 5.565) 7.830 3.118 ( 1.643 -8.129 -6.993) 10.848 3.702 ( -3.353 -4.612 13.223) 14.400 4.050 ( -4.236 4.305 -5.724) 8.322 4.687 ( -2.683 2.923 -20.191) 20.577 5.147 ( -7.640 -14.976 16.754) 23.735 5.925 ( -10.542 -2.352 8.910) 14.001 7.034 ( 9.904 1.241 10.261) 14.315 7.783 ( 3.492 8.040 -10.636) 13.783 8.004 ( 2.401 5.100 -9.057) 10.668 11.138 ( -2.808 -4.653 4.908) 7.323 11.262 ( -0.456 -2.737 6.077) 6.681 11.768 ( 0.808 -9.393 -0.103) 9.428 12.102 ( 1.384 12.231 -7.352) 14.337 12.872 ( -4.584 1.564 -1.253) 5.003 13.240 ( 2.841 0.235 3.784) 4.738 13.831 ( -3.252 -5.093 -1.411) 6.205 14.171 ( 2.093 -1.009 4.169) 4.773 ======================= Grid point 441 (206/398) ======================= q-point: (-0.50 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -3.419 10.001 4.479) 11.479 3.249 ( 4.090 -9.791 -2.203) 10.837 3.654 ( -3.690 4.797 -3.908) 7.204 3.998 ( -2.272 6.290 3.872) 7.728 4.471 ( -6.724 -6.328 -13.826) 16.626 5.351 ( -4.757 -6.142 12.908) 15.066 5.834 ( -11.663 6.927 11.819) 17.991 7.195 ( 6.383 -0.366 8.065) 10.292 7.655 ( 3.592 4.125 -11.163) 12.431 7.938 ( 3.467 -1.348 -9.520) 10.221 11.205 ( -2.704 -3.095 6.921) 8.049 11.308 ( -1.036 1.277 5.348) 5.595 11.861 ( 0.003 8.955 -5.177) 10.344 11.952 ( 1.820 -9.194 -3.388) 9.966 12.803 ( -2.226 0.788 -0.847) 2.509 13.292 ( 3.268 1.928 3.391) 5.089 13.837 ( -2.690 -2.318 -1.284) 3.776 14.221 ( 0.856 1.047 3.965) 4.189 ======================= Grid point 442 (207/398) ======================= q-point: (-0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -11.498 15.613 4.010) 19.800 3.436 ( 4.850 -5.575 3.341) 8.110 3.537 ( -0.868 4.421 -2.443) 5.125 3.738 ( -8.920 11.882 -6.150) 16.080 4.547 ( -0.919 -16.276 -5.705) 17.271 5.332 ( -11.082 14.131 17.157) 24.837 5.685 ( -5.962 5.963 8.296) 11.830 7.299 ( -1.833 2.295 10.025) 10.446 7.614 ( 6.921 -4.888 -12.686) 15.256 7.990 ( 5.890 -7.802 -9.179) 13.410 11.260 ( -2.492 0.416 8.364) 8.737 11.290 ( -1.793 2.397 3.969) 4.971 11.651 ( -1.432 11.137 -4.429) 12.070 12.139 ( 4.101 -13.296 -5.133) 14.831 12.783 ( 0.123 -0.318 -0.092) 0.353 13.312 ( 2.681 3.748 2.482) 5.234 13.811 ( -2.006 0.534 -1.067) 2.334 14.225 ( -0.334 2.810 3.669) 4.634 ======================= Grid point 443 (208/398) ======================= q-point: (-0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -15.780 18.023 4.709) 24.413 3.252 ( -14.342 22.811 12.831) 29.844 3.486 ( 4.134 1.692 -6.640) 8.003 3.722 ( 3.682 -11.437 -2.881) 12.356 4.733 ( 2.714 -13.548 -7.142) 15.554 4.993 ( -18.907 26.421 26.421) 41.876 5.632 ( -0.001 3.967 1.743) 4.333 7.223 ( -10.180 5.157 7.307) 13.550 7.774 ( 10.112 -11.801 -8.742) 17.831 8.150 ( 7.741 -11.361 -7.912) 15.862 11.209 ( -2.144 5.864 2.652) 6.784 11.309 ( -3.129 0.629 8.097) 8.703 11.460 ( -1.254 8.983 -1.717) 9.232 12.328 ( 5.061 -11.901 -8.649) 15.558 12.813 ( 2.106 -1.437 1.221) 2.827 13.291 ( 1.778 5.054 1.517) 5.569 13.764 ( -0.943 2.230 -0.739) 2.531 14.191 ( -1.481 4.125 3.175) 5.412 ======================= Grid point 444 (209/398) ======================= q-point: (-0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -14.677 17.464 10.677) 25.188 2.865 ( -16.229 21.884 20.623) 34.170 3.465 ( 3.620 0.384 -7.185) 8.054 3.898 ( 5.701 -4.966 -0.062) 7.561 4.533 ( -20.342 29.442 32.915) 48.621 4.939 ( 2.981 -13.198 -6.679) 15.090 5.576 ( 1.779 4.794 -2.867) 5.862 7.048 ( -14.524 4.361 5.158) 16.018 8.018 ( 9.299 -12.540 -5.836) 16.667 8.360 ( 8.359 -11.499 -7.237) 15.952 11.098 ( -3.216 6.646 0.365) 7.392 11.259 ( -0.922 5.934 -0.132) 6.007 11.392 ( -3.111 2.003 9.616) 10.303 12.443 ( 4.169 -7.376 -13.012) 15.527 12.904 ( 4.646 -3.250 2.720) 6.288 13.242 ( 1.045 5.297 0.955) 5.483 13.720 ( 0.250 2.307 -0.531) 2.380 14.122 ( -2.672 4.801 2.419) 6.003 ======================= Grid point 445 (210/398) ======================= q-point: (-0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -5.610 10.597 23.792) 26.643 2.563 ( -15.957 18.794 28.919) 38.002 3.454 ( 2.739 -0.640 -6.186) 6.796 3.920 ( -9.128 10.498 12.246) 18.533 4.243 ( -6.443 15.254 29.926) 34.202 5.110 ( 5.906 -10.892 -8.558) 15.058 5.499 ( 2.561 4.118 -7.223) 8.700 6.821 ( -18.209 3.473 2.818) 18.750 8.258 ( 7.626 -11.280 -3.897) 14.162 8.547 ( 7.164 -8.609 -8.141) 13.846 10.957 ( -3.534 6.087 -1.227) 7.145 11.173 ( 0.074 4.563 -1.049) 4.682 11.410 ( -4.824 0.861 11.944) 12.910 12.452 ( 3.622 -3.144 -15.013) 15.761 13.039 ( 6.093 -2.988 1.729) 7.003 13.189 ( 0.503 4.229 0.995) 4.374 13.700 ( 1.015 1.076 -0.300) 1.509 14.029 ( -3.859 4.499 1.442) 6.101 ======================= Grid point 446 (211/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 4.336 1.586 30.914) 31.257 2.401 ( -14.129 11.270 34.192) 38.675 3.457 ( 0.472 -1.947 -2.667) 3.336 3.679 ( -23.447 12.923 32.281) 41.939 4.332 ( 11.359 5.128 14.531) 19.143 5.255 ( 7.571 -6.452 -8.211) 12.899 5.419 ( 3.998 2.456 -10.522) 11.521 6.543 ( -21.447 2.435 -0.051) 21.585 8.451 ( 5.376 -7.597 -3.267) 9.864 8.638 ( 4.028 -3.538 -8.897) 10.387 10.833 ( -3.216 3.679 -1.364) 5.074 11.112 ( -0.349 2.414 -1.666) 2.954 11.424 ( -5.983 0.600 11.610) 13.075 12.414 ( 4.981 -0.994 -14.963) 15.802 13.147 ( 5.486 -0.861 -0.050) 5.553 13.153 ( -0.216 2.090 1.141) 2.391 13.709 ( 1.186 -0.133 0.304) 1.232 13.928 ( -4.758 2.877 0.487) 5.582 ======================= Grid point 448 (212/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 2.315 -0.000 21.817) 21.939 2.599 ( -10.397 0.000 23.309) 25.523 3.489 ( 1.277 -0.000 -2.501) 2.808 3.569 ( -17.168 0.000 33.832) 37.938 4.790 ( 5.679 -0.000 -11.748) 13.049 5.197 ( -6.128 0.000 -13.999) 15.281 5.751 ( -9.272 0.000 0.077) 9.273 5.970 ( 24.418 -0.000 16.370) 29.397 8.486 ( -0.740 0.000 -5.105) 5.158 8.571 ( 1.327 -0.000 -5.548) 5.705 10.765 ( 0.467 -0.000 3.446) 3.478 10.970 ( -1.940 0.000 -4.188) 4.616 11.429 ( -5.055 0.000 8.014) 9.475 12.478 ( 13.414 -0.000 -9.565) 16.475 13.061 ( -4.442 0.000 0.258) 4.449 13.215 ( -1.573 0.000 -2.106) 2.628 13.716 ( -5.230 0.000 -0.275) 5.237 13.799 ( 2.491 -0.000 2.920) 3.838 ======================= Grid point 449 (213/398) ======================= q-point: ( 0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -2.183 0.423 19.064) 19.194 2.727 ( -3.586 -9.073 15.194) 18.056 3.417 ( -1.863 4.997 3.000) 6.119 3.744 ( -12.360 -14.125 23.716) 30.245 4.690 ( 0.631 5.833 -15.456) 16.532 5.039 ( -6.045 -6.116 -12.632) 15.281 5.708 ( -3.204 -1.897 1.805) 4.138 6.407 ( 22.051 -0.902 18.139) 28.567 8.395 ( -1.345 4.750 -5.658) 7.509 8.510 ( 0.892 4.048 -6.110) 7.383 10.835 ( 1.708 -3.029 4.853) 5.970 10.934 ( -1.776 -2.367 -3.047) 4.247 11.445 ( -4.141 -2.124 7.196) 8.570 12.561 ( 13.821 2.435 -10.063) 17.269 13.016 ( -4.373 -1.304 -0.271) 4.571 13.167 ( -3.190 0.061 -1.003) 3.345 13.663 ( -5.618 -2.185 -0.322) 6.037 13.873 ( 3.692 -1.382 3.970) 5.595 ======================= Grid point 450 (214/398) ======================= q-point: ( 0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -2.593 -3.843 12.601) 13.426 2.907 ( 2.386 -5.083 2.105) 5.996 3.402 ( -1.213 -0.735 8.934) 9.046 4.011 ( -12.831 -21.646 19.082) 31.580 4.463 ( -1.429 7.189 -12.908) 14.844 4.996 ( -1.491 -5.173 -11.887) 13.049 5.722 ( -4.559 -3.387 3.900) 6.889 6.794 ( 16.394 -0.665 16.349) 23.162 8.240 ( -0.674 8.158 -6.762) 10.617 8.387 ( 0.471 6.957 -7.439) 10.196 10.931 ( -0.593 -3.639 1.371) 3.934 10.974 ( 1.229 -5.520 3.417) 6.607 11.498 ( -3.041 -3.860 6.664) 8.279 12.558 ( 8.568 6.388 -11.874) 15.975 12.976 ( -3.990 -0.597 -0.722) 4.098 13.154 ( 0.336 -1.144 1.678) 2.059 13.636 ( -5.537 -4.358 -0.560) 7.069 13.987 ( 4.334 -2.708 4.397) 6.742 ======================= Grid point 451 (215/398) ======================= q-point: ( 0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -1.172 -5.987 2.824) 6.722 2.976 ( 7.069 -0.361 -4.344) 8.305 3.540 ( -1.610 -5.772 15.970) 17.057 4.175 ( -9.690 -0.225 -2.824) 10.096 4.418 ( 0.115 -17.275 2.731) 17.490 4.927 ( -4.156 0.151 -6.181) 7.450 5.753 ( -7.174 -5.856 6.099) 11.089 7.073 ( 10.090 0.625 13.135) 16.575 8.054 ( 1.120 9.751 -8.266) 12.832 8.216 ( 0.029 8.150 -8.942) 12.099 10.991 ( -1.364 -4.981 2.568) 5.768 11.114 ( 1.737 -6.033 4.670) 7.824 11.578 ( -1.847 -4.713 5.873) 7.753 12.417 ( 2.182 8.970 -11.605) 14.829 12.921 ( -3.054 1.332 -0.978) 3.472 13.224 ( 4.814 -1.087 2.546) 5.553 13.647 ( -4.694 -6.554 -0.371) 8.070 14.112 ( 3.933 -2.642 3.946) 6.166 ======================= Grid point 452 (216/398) ======================= q-point: ( 0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( -0.509 -5.640 -2.606) 6.233 3.061 ( 10.396 0.758 -1.940) 10.603 3.740 ( -2.248 -6.205 17.626) 18.821 3.964 ( -5.262 5.709 -9.976) 12.641 4.587 ( 2.523 0.849 -17.168) 17.373 4.926 ( -11.685 -15.736 18.458) 26.924 5.803 ( -8.622 -6.633 8.210) 13.628 7.233 ( 4.994 1.959 9.778) 11.153 7.870 ( 2.745 9.606 -9.612) 13.863 8.032 ( 0.208 6.819 -10.190) 12.263 11.076 ( -1.439 -5.258 4.748) 7.229 11.248 ( 0.706 -5.168 4.642) 6.982 11.675 ( -0.458 -5.777 3.742) 6.898 12.204 ( -0.680 9.995 -9.714) 13.954 12.855 ( -1.395 2.528 -1.003) 3.057 13.321 ( 6.137 0.212 2.259) 6.543 13.694 ( -3.678 -7.034 0.104) 7.939 14.210 ( 2.672 -1.426 3.089) 4.326 ======================= Grid point 453 (217/398) ======================= q-point: (-0.50 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -1.705 4.411 1.546) 4.975 3.178 ( 8.653 -3.290 -1.096) 9.322 3.692 ( -1.516 9.447 -5.941) 11.262 4.000 ( -0.694 -11.950 6.206) 13.483 4.325 ( -6.111 12.579 -9.142) 16.708 5.208 ( -6.759 -17.233 13.232) 22.754 5.830 ( -9.802 -1.489 11.196) 14.955 7.312 ( 1.234 1.058 7.642) 7.813 7.698 ( 2.643 8.153 -10.578) 13.615 7.898 ( 2.684 1.907 -10.987) 11.470 11.173 ( -1.587 -4.699 6.283) 8.005 11.336 ( -0.808 -1.619 5.048) 5.363 11.798 ( 1.343 -8.657 0.320) 8.766 11.977 ( -1.312 10.395 -7.513) 12.893 12.810 ( 0.723 2.181 -0.440) 2.339 13.393 ( 5.393 1.945 1.527) 5.933 13.746 ( -2.805 -5.158 0.555) 5.898 14.264 ( 1.080 0.082 2.314) 2.554 ======================= Grid point 454 (218/398) ======================= q-point: (-0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -7.426 18.813 5.631) 20.994 3.357 ( 5.822 -9.489 -3.012) 11.533 3.563 ( 4.579 3.256 -5.993) 8.214 3.906 ( -7.735 21.154 2.921) 22.713 4.283 ( -0.591 -15.951 0.634) 15.974 5.395 ( -6.189 -5.773 10.339) 13.361 5.761 ( -9.750 6.439 12.812) 17.340 7.335 ( -8.125 1.404 8.308) 11.705 7.582 ( 8.186 1.261 -12.492) 14.988 7.890 ( 5.766 -5.108 -10.546) 13.060 11.262 ( -2.111 -3.480 7.305) 8.363 11.348 ( -1.908 2.780 4.660) 5.752 11.760 ( -0.606 10.879 -5.126) 12.042 11.965 ( 2.763 -12.023 -3.218) 12.749 12.806 ( 2.295 1.044 0.376) 2.549 13.418 ( 3.682 3.663 0.645) 5.234 13.775 ( -1.810 -2.083 1.007) 2.937 14.272 ( -0.409 1.516 1.707) 2.319 ======================= Grid point 455 (219/398) ======================= q-point: (-0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -9.764 23.074 8.474) 26.449 3.396 ( -1.562 3.287 -10.536) 11.147 3.546 ( -6.990 16.242 10.172) 20.399 3.702 ( 8.853 -5.734 6.869) 12.587 4.515 ( 3.790 -15.059 -4.389) 16.137 5.318 ( -11.887 16.952 19.126) 28.187 5.670 ( -4.050 2.660 4.835) 6.845 7.182 ( -14.354 4.797 4.207) 15.708 7.691 ( 10.879 -8.468 -8.535) 16.214 8.013 ( 7.088 -10.972 -9.131) 15.938 11.288 ( -2.556 5.806 3.098) 7.060 11.324 ( -3.343 -1.353 7.395) 8.227 11.578 ( 0.595 10.052 -2.147) 10.296 12.145 ( 3.564 -12.395 -6.828) 14.593 12.843 ( 3.206 -0.627 1.690) 3.678 13.392 ( 1.790 4.876 0.004) 5.194 13.778 ( -0.544 0.777 1.317) 1.623 14.238 ( -1.687 2.933 1.093) 3.556 ======================= Grid point 456 (220/398) ======================= q-point: (-0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -6.550 20.816 14.960) 26.458 3.112 ( -13.458 18.816 15.634) 27.921 3.447 ( 2.048 1.027 -6.617) 7.003 3.960 ( 9.383 -3.876 7.910) 12.870 4.738 ( 7.105 -13.806 -8.097) 17.511 4.998 ( -13.840 28.247 28.450) 42.413 5.617 ( -1.343 2.849 -1.713) 3.585 6.942 ( -16.967 4.931 2.130) 17.797 7.911 ( 9.493 -11.849 -6.477) 16.507 8.211 ( 6.638 -13.368 -8.327) 17.091 11.169 ( -3.408 7.813 1.288) 8.621 11.312 ( -2.906 3.198 2.548) 5.017 11.480 ( -0.071 5.451 5.133) 7.487 12.280 ( 3.603 -9.214 -10.653) 14.539 12.934 ( 4.019 -3.208 3.143) 6.027 13.331 ( 0.263 5.191 -0.083) 5.198 13.764 ( 0.631 2.579 1.223) 2.923 14.164 ( -2.863 4.263 0.351) 5.147 ======================= Grid point 457 (221/398) ======================= q-point: (-0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.700 12.619 23.616) 26.785 2.833 ( -15.370 17.219 25.877) 34.675 3.417 ( 2.156 -0.842 -7.957) 8.287 4.088 ( 1.679 8.114 8.477) 11.854 4.709 ( -6.521 22.517 31.516) 39.279 4.968 ( 10.825 -11.421 -7.241) 17.322 5.525 ( -0.389 4.114 -5.855) 7.166 6.655 ( -19.167 5.063 -0.013) 19.824 8.146 ( 7.388 -12.236 -5.000) 15.143 8.403 ( 4.689 -12.047 -8.466) 15.453 11.014 ( -3.441 8.181 0.143) 8.876 11.227 ( -1.493 5.019 -0.726) 5.286 11.467 ( -2.992 2.691 9.278) 10.113 12.337 ( 4.305 -5.013 -12.388) 14.040 13.068 ( 4.183 -4.382 2.599) 6.592 13.257 ( -0.916 4.547 0.313) 4.649 13.744 ( 1.333 2.831 1.042) 3.298 14.053 ( -3.963 5.063 -0.414) 6.443 ======================= Grid point 458 (222/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 5.534 3.790 26.733) 27.562 2.651 ( -14.398 13.053 30.888) 36.493 3.402 ( 0.392 -2.105 -5.132) 5.561 3.906 ( -12.779 19.264 22.359) 32.161 4.701 ( 7.442 8.601 14.248) 18.231 5.224 ( 14.595 -6.845 -1.699) 16.210 5.421 ( 1.259 2.510 -7.720) 8.215 6.325 ( -20.270 5.477 -2.250) 21.117 8.351 ( 4.709 -10.426 -4.248) 12.203 8.527 ( 2.342 -8.026 -8.100) 11.641 10.868 ( -2.685 6.711 0.433) 7.241 11.131 ( -1.606 4.059 -2.285) 4.927 11.459 ( -4.714 2.176 9.719) 11.019 12.359 ( 6.725 -2.380 -11.999) 13.959 13.179 ( 2.911 -2.244 0.356) 3.692 13.186 ( -1.910 2.844 0.824) 3.523 13.739 ( 1.587 1.602 1.397) 2.652 13.923 ( -4.737 4.642 -0.853) 6.687 ======================= Grid point 461 (223/398) ======================= q-point: ( 0.17 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -8.920 0.000 11.848) 14.830 2.794 ( 4.063 -0.000 17.131) 17.607 3.401 ( -3.921 0.000 -7.436) 8.407 3.687 ( -11.667 0.000 26.372) 28.837 4.672 ( 4.613 -0.000 -17.115) 17.726 4.801 ( -7.234 0.000 -5.327) 8.984 5.692 ( -0.636 0.000 1.331) 1.475 6.781 ( 16.951 -0.000 16.486) 23.646 8.366 ( -1.884 0.000 -5.300) 5.625 8.493 ( -0.484 0.000 -6.749) 6.767 10.880 ( -0.775 0.000 -2.009) 2.153 10.885 ( 2.926 -0.000 5.736) 6.439 11.437 ( -3.583 0.000 7.470) 8.285 12.650 ( 10.249 -0.000 -13.194) 16.707 12.959 ( -2.863 0.000 -0.474) 2.902 13.135 ( -0.068 0.000 0.659) 0.663 13.575 ( -6.279 0.000 0.390) 6.291 13.946 ( 4.595 -0.000 4.297) 6.291 ======================= Grid point 462 (224/398) ======================= q-point: ( 0.25 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -6.642 -4.580 6.510) 10.367 2.979 ( 6.442 0.065 8.087) 10.339 3.328 ( -4.271 -7.938 -4.221) 9.953 3.795 ( -12.048 -8.174 22.963) 27.190 4.508 ( 2.958 8.856 -10.184) 13.817 4.809 ( -0.961 -7.470 -6.003) 9.631 5.689 ( -2.618 0.191 2.709) 3.772 7.069 ( 10.240 -0.428 13.484) 16.937 8.272 ( -1.067 4.478 -5.570) 7.226 8.397 ( -1.440 3.611 -8.056) 8.945 10.884 ( 0.107 -2.084 0.269) 2.104 10.984 ( 2.737 -2.541 5.139) 6.353 11.476 ( -2.696 -2.181 8.366) 9.056 12.588 ( 1.420 2.962 -14.445) 14.813 12.934 ( -1.001 -0.170 -0.740) 1.257 13.197 ( 7.276 -0.574 1.398) 7.432 13.516 ( -6.346 -2.258 0.713) 6.773 14.050 ( 5.232 -1.297 3.891) 6.648 ======================= Grid point 463 (225/398) ======================= q-point: ( 0.33 0.17 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -2.855 -6.613 -1.392) 7.336 3.070 ( 7.562 -0.468 -0.840) 7.623 3.470 ( -0.697 -11.947 3.801) 12.556 3.980 ( -11.957 -14.114 20.627) 27.707 4.376 ( 4.358 6.618 -6.159) 10.036 4.827 ( -1.467 -2.628 -5.210) 6.017 5.668 ( -6.007 -1.030 5.261) 8.052 7.253 ( 3.642 -0.470 10.341) 10.974 8.134 ( 0.858 7.730 -6.784) 10.320 8.238 ( -1.618 6.224 -9.270) 11.282 10.942 ( 0.395 -3.626 2.858) 4.634 11.095 ( 1.715 -4.359 3.570) 5.889 11.555 ( -1.980 -3.241 8.866) 9.645 12.414 ( -2.518 4.577 -13.053) 14.060 12.918 ( 0.627 1.400 -0.984) 1.822 13.320 ( 9.582 -0.052 0.686) 9.607 13.502 ( -5.391 -5.217 1.225) 7.602 14.161 ( 4.898 -1.623 2.575) 5.766 ======================= Grid point 464 (226/398) ======================= q-point: ( 0.42 0.17 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 0.106 -7.615 -3.876) 8.546 3.207 ( 11.754 -2.111 -1.010) 11.984 3.636 ( -2.758 -10.162 3.364) 11.054 4.061 ( -4.160 9.888 10.471) 14.991 4.426 ( 3.209 -13.247 -6.586) 15.138 4.780 ( -8.066 -1.285 6.582) 10.490 5.672 ( -7.839 -5.213 7.593) 12.095 7.336 ( -2.119 -0.290 7.760) 8.050 7.972 ( 2.737 9.700 -8.797) 13.378 8.051 ( -0.248 7.139 -9.799) 12.127 11.033 ( -0.072 -4.430 4.707) 6.464 11.208 ( 0.828 -5.706 2.916) 6.461 11.643 ( -1.681 -3.279 7.310) 8.186 12.214 ( -2.698 5.674 -10.739) 12.442 12.894 ( 2.127 3.148 -0.847) 3.892 13.431 ( 8.635 0.890 -0.180) 8.683 13.550 ( -3.964 -7.426 2.165) 8.692 14.247 ( 3.459 -0.977 0.974) 3.724 ======================= Grid point 465 (227/398) ======================= q-point: (-0.50 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 0.440 -6.845 -1.217) 6.966 3.367 ( 13.991 3.555 1.128) 14.479 3.693 ( -3.447 -0.824 -7.938) 8.693 3.946 ( -2.442 3.706 13.691) 14.393 4.414 ( 2.020 10.182 -11.110) 15.205 4.933 ( -10.262 -20.745 16.232) 28.269 5.735 ( -7.988 -6.932 9.871) 14.467 7.337 ( -7.463 -0.755 6.170) 9.713 7.791 ( 4.125 10.368 -10.620) 15.405 7.903 ( 3.342 5.185 -10.020) 11.767 11.133 ( -0.935 -4.871 5.445) 7.366 11.316 ( -0.432 -4.857 3.861) 6.219 11.723 ( -0.823 -4.600 3.630) 5.917 12.027 ( -1.107 7.047 -7.929) 10.665 12.874 ( 3.228 3.537 -0.229) 4.794 13.498 ( 6.173 1.977 -1.094) 6.574 13.637 ( -2.433 -7.054 3.013) 8.047 14.288 ( 1.505 -0.097 -0.174) 1.519 ======================= Grid point 466 (228/398) ======================= q-point: (-0.42 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -4.159 6.206 3.318) 8.174 3.391 ( 5.172 7.964 -3.826) 10.238 3.639 ( 8.509 0.386 0.926) 8.568 4.101 ( -0.480 -11.953 6.005) 13.385 4.138 ( -3.081 18.781 -0.496) 19.039 5.213 ( -6.652 -17.398 8.893) 20.641 5.790 ( -8.217 -1.292 12.905) 15.353 7.261 ( -13.444 -0.186 4.764) 14.264 7.657 ( 8.584 6.385 -10.490) 14.983 7.840 ( 5.756 -0.011 -10.442) 11.924 11.228 ( -1.972 -4.721 5.683) 7.647 11.375 ( -2.425 -0.742 4.769) 5.402 11.821 ( 0.465 -6.846 -1.524) 7.029 11.868 ( 1.506 7.271 -4.136) 8.499 12.872 ( 3.429 2.614 0.605) 4.354 13.508 ( 3.275 3.185 -1.689) 4.870 13.726 ( -0.994 -4.617 3.371) 5.802 14.287 ( -0.297 0.710 -0.719) 1.053 ======================= Grid point 467 (229/398) ======================= q-point: (-0.33 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -7.340 19.995 7.882) 22.711 3.338 ( 3.011 0.471 -8.917) 9.423 3.805 ( -6.001 19.821 6.003) 21.562 3.846 ( 10.861 -1.294 12.966) 16.964 4.338 ( 4.594 -13.859 -1.357) 14.663 5.373 ( -5.980 -7.070 6.527) 11.329 5.751 ( -7.253 7.517 13.800) 17.308 7.079 ( -16.149 3.389 2.452) 16.682 7.676 ( 10.295 -2.522 -8.656) 13.684 7.890 ( 6.572 -7.091 -9.970) 13.888 11.299 ( -3.392 -3.300 5.531) 7.279 11.348 ( -3.572 3.729 3.836) 6.433 11.724 ( 2.422 9.603 -1.830) 10.072 11.970 ( 2.298 -10.735 -4.298) 11.790 12.897 ( 3.059 0.687 1.879) 3.655 13.466 ( 0.639 4.082 -1.814) 4.513 13.791 ( 0.296 -1.411 3.286) 3.588 14.250 ( -1.695 1.751 -1.004) 2.635 ======================= Grid point 468 (230/398) ======================= q-point: (-0.25 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -4.618 18.785 13.229) 23.435 3.270 ( -2.119 6.496 0.222) 6.837 3.514 ( -5.586 14.309 5.595) 16.348 4.126 ( 11.101 -2.432 11.525) 16.185 4.585 ( 7.325 -12.919 -3.566) 15.273 5.358 ( -5.694 9.271 13.715) 17.506 5.641 ( -4.127 8.081 6.741) 11.304 6.819 ( -16.997 5.772 0.839) 17.970 7.822 ( 9.184 -8.867 -7.386) 14.748 8.035 ( 5.854 -11.968 -9.188) 16.184 11.243 ( -4.467 6.715 2.592) 8.471 11.319 ( -3.526 0.179 3.621) 5.057 11.622 ( 2.120 8.507 1.939) 8.979 12.110 ( 3.038 -10.255 -7.429) 13.022 12.961 ( 2.528 -2.075 3.361) 4.689 13.387 ( -1.382 4.294 -1.419) 4.729 13.823 ( 1.327 1.553 2.832) 3.492 14.178 ( -2.801 3.243 -1.362) 4.496 ======================= Grid point 469 (231/398) ======================= q-point: (-0.17 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.348 11.196 18.722) 21.817 3.093 ( -10.556 16.479 20.638) 28.441 3.374 ( 0.502 1.544 -7.218) 7.398 4.304 ( 7.061 4.955 6.363) 10.719 4.784 ( -0.227 -7.027 0.317) 7.037 5.290 ( 7.239 12.813 18.897) 23.952 5.526 ( -2.118 6.038 -0.263) 6.404 6.513 ( -17.175 7.291 -0.747) 18.673 8.020 ( 7.037 -11.579 -6.360) 14.968 8.209 ( 4.196 -12.816 -8.729) 16.064 11.097 ( -3.753 8.360 1.743) 9.328 11.263 ( -3.293 3.873 0.834) 5.152 11.562 ( -0.388 5.671 5.422) 7.856 12.220 ( 4.719 -7.640 -9.040) 12.742 13.063 ( 1.572 -4.270 3.526) 5.757 13.293 ( -2.820 3.871 -0.724) 4.844 13.827 ( 2.066 3.504 2.411) 4.729 14.068 ( -3.759 4.787 -1.771) 6.339 ======================= Grid point 470 (232/398) ======================= q-point: (-0.08 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 3.511 3.739 20.468) 21.101 2.911 ( -11.489 14.998 27.176) 33.097 3.332 ( 0.943 -1.929 -7.263) 7.573 4.223 ( -3.625 18.843 13.430) 23.421 4.793 ( -3.116 -2.120 -2.988) 4.809 5.361 ( 0.652 1.645 -9.379) 9.545 5.563 ( 18.006 5.538 21.313) 28.445 6.187 ( -14.814 8.251 -1.960) 17.070 8.211 ( 4.149 -11.444 -5.729) 13.453 8.356 ( 2.629 -10.767 -8.061) 13.705 10.955 ( -2.349 7.955 2.186) 8.578 11.153 ( -2.964 5.165 -1.458) 6.130 11.523 ( -2.759 4.160 7.033) 8.625 12.317 ( 7.816 -5.211 -9.086) 13.069 13.156 ( -0.429 -3.933 1.802) 4.347 13.199 ( -3.514 3.137 -0.123) 4.712 13.821 ( 2.599 3.743 2.595) 5.244 13.927 ( -4.516 5.435 -1.868) 7.309 ======================= Grid point 474 (233/398) ======================= q-point: ( 0.25 0.25 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -6.439 0.000 5.048) 8.182 3.109 ( -6.052 0.000 -8.644) 10.552 3.170 ( 8.940 -0.000 10.642) 13.899 3.777 ( -10.339 0.000 19.913) 22.437 4.536 ( 5.493 -0.000 -15.598) 16.537 4.744 ( -0.016 0.000 5.484) 5.484 5.678 ( -3.442 0.000 2.674) 4.359 7.238 ( 3.186 -0.000 9.707) 10.216 8.254 ( -0.533 0.000 -4.843) 4.872 8.333 ( -2.190 0.000 -8.786) 9.055 10.888 ( 1.546 -0.000 1.874) 2.430 11.030 ( 1.702 -0.000 3.775) 4.141 11.502 ( -2.144 0.000 10.252) 10.474 12.475 ( -3.773 0.000 -14.150) 14.645 12.933 ( 1.864 -0.000 -0.844) 2.046 13.320 ( 11.391 -0.000 -0.242) 11.393 13.428 ( -6.497 0.000 1.793) 6.740 14.135 ( 5.957 -0.000 2.304) 6.387 ======================= Grid point 475 (234/398) ======================= q-point: ( 0.33 0.25 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -3.380 -4.519 1.705) 5.895 3.049 ( -1.552 -5.936 -1.372) 6.287 3.404 ( 9.648 -5.572 4.314) 11.948 3.843 ( -10.864 -7.431 19.336) 23.391 4.476 ( 6.187 3.439 -9.993) 12.246 4.783 ( -0.570 0.923 2.839) 3.039 5.638 ( -5.651 1.147 4.178) 7.121 7.303 ( -3.545 -1.251 5.773) 6.889 8.185 ( 0.942 4.335 -5.521) 7.082 8.217 ( -1.416 3.354 -8.557) 9.300 10.945 ( 1.893 -1.560 3.708) 4.446 11.083 ( 0.555 -2.445 2.229) 3.355 11.571 ( -2.317 -1.591 10.787) 11.147 12.307 ( -4.394 1.302 -12.525) 13.337 12.957 ( 3.736 1.009 -0.949) 3.985 13.391 ( -5.452 -2.894 2.797) 6.777 13.452 ( 10.890 0.468 -1.244) 10.971 14.222 ( 5.690 -0.536 -0.166) 5.718 ======================= Grid point 476 (235/398) ======================= q-point: ( 0.42 0.25 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 0.206 -6.569 0.351) 6.582 3.206 ( 3.343 -11.566 3.806) 12.626 3.580 ( 7.260 -1.958 -0.998) 7.585 4.049 ( -6.898 -15.939 17.462) 24.628 4.414 ( 4.553 8.506 -3.701) 10.333 4.743 ( -3.100 1.963 0.193) 3.674 5.590 ( -7.412 -0.907 6.651) 10.000 7.283 ( -9.108 -2.709 2.472) 9.819 8.063 ( 1.814 7.360 -8.480) 11.374 8.090 ( 1.700 6.356 -6.345) 9.141 11.023 ( 0.540 -2.446 4.454) 5.110 11.157 ( 0.382 -4.942 2.028) 5.356 11.642 ( -3.094 -1.917 9.127) 9.826 12.152 ( -2.291 2.124 -9.875) 10.357 12.975 ( 4.514 2.788 -0.785) 5.364 13.424 ( -3.592 -5.940 3.681) 7.857 13.550 ( 8.457 1.124 -1.660) 8.691 14.280 ( 4.077 -0.312 -2.522) 4.804 ======================= Grid point 477 (236/398) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 1.588 -7.042 2.003) 7.492 3.459 ( 2.844 -10.323 4.056) 11.450 3.658 ( 9.112 0.509 -1.976) 9.337 4.171 ( -2.980 14.490 11.582) 18.788 4.405 ( 6.093 -8.861 -9.881) 14.604 4.705 ( -10.345 -5.449 12.615) 17.200 5.612 ( -7.023 -6.660 8.930) 13.169 7.200 ( -13.017 -3.567 0.448) 13.504 7.912 ( 3.915 9.069 -8.274) 12.886 7.973 ( 4.227 7.408 -7.655) 11.461 11.096 ( -1.104 -3.779 4.231) 5.779 11.256 ( -0.511 -5.921 2.659) 6.510 11.690 ( -3.145 -2.248 6.075) 7.201 12.042 ( 1.143 3.574 -6.497) 7.503 12.976 ( 4.224 3.971 -0.245) 5.803 13.514 ( -1.224 -6.139 3.044) 6.961 13.605 ( 4.830 0.710 -0.948) 4.973 14.293 ( 1.774 -0.042 -3.752) 4.151 ======================= Grid point 478 (237/398) ======================= q-point: (-0.42 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -0.664 -2.301 3.497) 4.238 3.479 ( -2.267 4.683 -4.774) 7.061 3.872 ( 18.300 -0.127 6.575) 19.446 4.035 ( -5.111 2.184 8.950) 10.536 4.345 ( 2.809 13.294 -5.804) 14.775 4.915 ( -8.282 -20.802 11.682) 25.254 5.727 ( -5.801 -8.065 11.748) 15.386 7.074 ( -15.340 -3.265 -0.312) 15.686 7.787 ( 6.412 7.949 -8.206) 13.101 7.876 ( 6.048 5.495 -9.030) 12.178 11.170 ( -2.393 -4.880 4.111) 6.815 11.337 ( -2.559 -4.345 3.188) 5.966 11.735 ( -1.800 -4.221 2.304) 5.135 11.971 ( 4.134 6.011 -3.223) 7.976 12.966 ( 3.157 3.774 0.672) 4.966 13.554 ( 1.109 1.361 -2.543) 3.091 13.681 ( 0.685 -5.013 4.207) 6.580 14.272 ( -0.282 0.043 -3.742) 3.753 ======================= Grid point 479 (238/398) ======================= q-point: (-0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -5.978 10.628 5.491) 13.373 3.349 ( 1.499 4.159 -5.831) 7.318 4.051 ( 5.460 6.516 6.368) 10.622 4.064 ( -4.440 8.368 6.166) 11.303 4.261 ( 12.052 -6.057 6.312) 14.892 5.164 ( -4.855 -16.058 3.842) 17.211 5.841 ( -4.358 -1.264 14.800) 15.480 6.906 ( -16.493 -0.861 -0.371) 16.520 7.733 ( 8.017 2.849 -8.374) 11.937 7.841 ( 7.028 0.121 -9.781) 12.045 11.234 ( -3.694 -4.630 4.074) 7.188 11.356 ( -3.935 -0.264 3.515) 5.283 11.802 ( 0.254 -5.013 -1.345) 5.197 11.918 ( 4.849 6.157 -1.052) 7.907 12.965 ( 1.969 2.122 2.095) 3.573 13.494 ( -1.115 3.135 -3.441) 4.787 13.793 ( 1.004 -3.731 4.655) 6.049 14.230 ( -1.680 0.478 -3.179) 3.627 ======================= Grid point 480 (239/398) ======================= q-point: (-0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -5.612 13.915 9.196) 17.598 3.297 ( 1.981 1.667 -4.545) 5.231 3.762 ( -5.716 20.913 7.629) 22.983 4.227 ( 2.983 -8.614 2.673) 9.500 4.579 ( 11.783 -4.891 11.036) 16.868 5.306 ( -2.673 -9.066 -1.057) 9.511 5.870 ( -1.009 9.198 16.804) 19.184 6.684 ( -16.521 2.972 -0.141) 16.786 7.776 ( 7.785 -4.037 -8.457) 12.183 7.899 ( 6.773 -6.493 -9.582) 13.411 11.258 ( -5.069 -0.703 4.130) 6.576 11.311 ( -3.709 2.152 2.878) 5.165 11.792 ( 3.216 8.125 0.045) 8.738 11.962 ( 2.520 -7.727 -3.799) 8.971 12.992 ( 0.896 -0.390 3.697) 3.824 13.395 ( -3.262 3.182 -3.008) 5.460 13.876 ( 1.701 -0.715 4.119) 4.514 14.165 ( -2.601 1.790 -2.735) 4.178 ======================= Grid point 481 (240/398) ======================= q-point: (-0.17 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -1.771 8.441 13.068) 15.658 3.271 ( 1.288 1.743 -0.953) 2.368 3.462 ( -7.094 19.031 10.020) 22.648 4.389 ( 4.649 -7.824 -4.720) 10.252 4.785 ( 0.005 2.366 13.637) 13.841 5.350 ( -0.454 -3.787 -7.087) 8.048 5.871 ( 7.515 12.961 20.518) 25.406 6.418 ( -14.745 6.572 0.031) 16.144 7.895 ( 5.909 -9.223 -8.275) 13.728 8.030 ( 5.622 -10.323 -8.846) 14.711 11.176 ( -4.207 6.383 3.476) 8.397 11.267 ( -4.161 1.573 2.276) 4.997 11.702 ( 1.588 8.838 1.896) 9.178 12.094 ( 4.232 -9.698 -5.945) 12.137 13.050 ( -0.484 -2.539 4.398) 5.101 13.284 ( -4.500 2.638 -2.110) 5.626 13.920 ( 2.349 2.129 3.572) 4.775 14.069 ( -3.356 3.786 -2.534) 5.658 ======================= Grid point 482 (241/398) ======================= q-point: (-0.08 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 1.823 2.346 14.374) 14.677 3.206 ( -7.577 16.642 14.368) 23.256 3.274 ( 1.283 -0.409 -0.248) 1.370 4.466 ( 5.173 0.609 -6.897) 8.642 4.713 ( -11.403 9.172 11.802) 18.800 5.278 ( -2.243 0.413 -11.143) 11.374 6.026 ( 4.869 8.121 18.576) 20.850 6.182 ( 1.089 6.933 3.904) 8.031 8.039 ( 3.202 -11.309 -8.029) 14.234 8.179 ( 4.220 -10.746 -8.054) 14.077 11.060 ( -2.397 7.351 3.618) 8.536 11.182 ( -3.770 4.935 0.905) 6.276 11.618 ( -0.826 6.590 3.772) 7.638 12.248 ( 7.172 -9.054 -7.180) 13.600 13.100 ( -3.491 -2.631 2.785) 5.183 13.186 ( -3.516 1.707 -0.468) 3.936 13.928 ( -0.635 4.626 -0.065) 4.670 13.945 ( -0.456 4.644 1.292) 4.842 ======================= Grid point 487 (242/398) ======================= q-point: ( 0.33 0.33 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -4.172 0.000 5.928) 7.249 2.993 ( 0.718 -0.000 5.037) 5.088 3.544 ( 12.751 -0.000 0.902) 12.783 3.794 ( -10.398 0.000 17.258) 20.148 4.486 ( 6.853 -0.000 -10.246) 12.327 4.830 ( -1.512 0.000 4.858) 5.088 5.609 ( -5.990 0.000 4.160) 7.293 7.231 ( -9.806 0.000 0.536) 9.821 8.170 ( 0.316 -0.000 -7.432) 7.439 8.193 ( 1.326 -0.000 -4.602) 4.789 10.994 ( 2.056 -0.000 4.402) 4.858 11.078 ( -0.433 0.000 1.315) 1.385 11.611 ( -3.341 0.000 10.850) 11.353 12.177 ( -2.799 0.000 -10.460) 10.828 13.013 ( 4.905 -0.000 -0.922) 4.991 13.336 ( -4.347 0.000 4.491) 6.250 13.569 ( 9.358 -0.000 -2.465) 9.677 14.275 ( 5.459 -0.000 -3.750) 6.622 ======================= Grid point 488 (243/398) ======================= q-point: ( 0.42 0.33 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -2.788 -5.502 7.118) 9.419 3.153 ( 4.596 -7.278 11.574) 14.424 3.658 ( 6.258 -0.377 -2.940) 6.925 3.908 ( -2.478 -9.759 15.476) 18.463 4.514 ( 6.491 0.123 -5.205) 8.321 4.775 ( -4.038 6.194 1.598) 7.564 5.556 ( -6.621 1.214 5.548) 8.723 7.091 ( -13.697 -2.994 -3.381) 14.422 8.106 ( 2.092 3.876 -6.192) 7.599 8.151 ( 2.424 3.660 -5.114) 6.740 11.040 ( -0.130 -0.109 3.530) 3.534 11.110 ( -0.300 -3.690 1.679) 4.065 11.648 ( -4.490 -0.828 9.403) 10.453 12.093 ( 1.056 0.561 -7.089) 7.189 13.055 ( 4.160 1.201 -0.846) 4.412 13.358 ( -2.137 -3.052 5.892) 6.971 13.641 ( 6.618 0.824 -3.192) 7.394 14.292 ( 3.753 -0.004 -6.740) 7.714 ======================= Grid point 489 (244/398) ======================= q-point: ( 0.50 0.33 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -0.540 -7.928 6.918) 10.536 3.400 ( 0.783 -5.831 10.918) 12.403 3.743 ( 7.383 -4.574 -0.575) 8.704 4.195 ( 3.375 -15.339 7.711) 17.497 4.465 ( -0.953 13.908 3.166) 14.295 4.666 ( -1.590 0.832 -0.543) 1.875 5.527 ( -6.309 -2.514 7.949) 10.456 6.938 ( -15.302 -5.519 -5.260) 17.096 8.014 ( 3.118 6.962 -5.844) 9.610 8.077 ( 4.532 6.211 -6.383) 9.993 11.064 ( -1.759 -1.974 2.846) 3.885 11.181 ( -1.222 -5.288 1.669) 5.678 11.668 ( -4.832 -1.207 7.386) 8.908 12.076 ( 5.057 1.724 -3.540) 6.409 13.067 ( 2.797 2.382 -0.488) 3.706 13.452 ( -0.381 -5.170 6.359) 8.204 13.659 ( 3.547 1.469 -3.823) 5.418 14.267 ( 1.285 -0.237 -7.790) 7.899 ======================= Grid point 490 (245/398) ======================= q-point: (-0.42 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -0.007 -5.217 6.290) 8.172 3.456 ( -3.441 0.557 1.561) 3.820 3.921 ( -1.008 -6.105 3.278) 7.002 4.298 ( 7.840 12.173 8.276) 16.677 4.465 ( 11.179 -2.670 -9.496) 14.909 4.673 ( -9.528 -7.943 15.778) 20.070 5.623 ( -3.839 -9.457 11.054) 15.045 6.789 ( -15.670 -6.344 -5.638) 17.821 7.903 ( 4.064 7.681 -6.653) 10.944 7.993 ( 6.676 7.507 -7.561) 12.574 11.100 ( -2.751 -3.858 2.859) 5.534 11.251 ( -2.334 -5.600 1.651) 6.287 11.685 ( -3.955 -2.140 5.232) 6.899 12.095 ( 7.125 4.191 -1.439) 8.390 13.052 ( 1.416 3.095 0.473) 3.437 13.546 ( -0.206 -0.998 0.160) 1.032 13.662 ( 1.069 -2.817 1.362) 3.306 14.220 ( -0.771 -0.884 -6.837) 6.937 ======================= Grid point 491 (246/398) ======================= q-point: (-0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -3.477 4.728 5.394) 7.972 3.376 ( -1.341 3.699 -2.639) 4.737 3.938 ( -9.403 -8.512 3.512) 13.160 4.317 ( 3.591 15.382 -1.471) 15.864 4.527 ( 14.227 1.443 13.051) 19.360 4.905 ( -2.743 -16.982 5.153) 17.957 5.844 ( -0.236 -9.464 14.829) 17.593 6.638 ( -15.979 -5.421 -5.016) 17.604 7.805 ( 5.070 5.436 -8.179) 11.053 7.921 ( 8.099 6.343 -8.340) 13.243 11.148 ( -3.359 -4.744 3.267) 6.668 11.300 ( -3.472 -3.869 2.320) 5.693 11.720 ( -2.104 -4.168 2.498) 5.295 12.092 ( 6.870 7.506 -1.008) 10.225 13.030 ( 0.213 2.481 2.086) 3.248 13.478 ( -2.801 2.693 -4.936) 6.282 13.781 ( 1.203 -5.376 5.685) 7.916 14.171 ( -1.894 -1.118 -5.149) 5.599 ======================= Grid point 492 (247/398) ======================= q-point: (-0.25 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -5.439 10.463 6.326) 13.382 3.312 ( 0.783 2.115 -2.939) 3.705 4.016 ( -4.632 -2.991 2.456) 6.036 4.080 ( -3.801 8.903 2.848) 10.091 4.803 ( 9.821 -0.872 14.580) 17.601 5.111 ( 0.256 -12.560 -2.844) 12.880 6.076 ( 4.429 -1.297 16.733) 17.358 6.470 ( -16.218 -3.370 -2.773) 16.795 7.758 ( 5.540 0.396 -9.763) 11.232 7.896 ( 8.397 2.016 -8.551) 12.153 11.197 ( -3.672 -3.877 4.073) 6.716 11.301 ( -4.511 -0.108 3.062) 5.452 11.795 ( 0.399 -6.648 -0.529) 6.681 12.031 ( 4.969 9.709 -1.357) 10.991 13.026 ( -0.735 0.699 3.822) 3.954 13.354 ( -4.870 2.426 -4.551) 7.094 13.905 ( 1.618 -3.260 5.336) 6.459 14.121 ( -2.430 -0.176 -3.818) 4.530 ======================= Grid point 493 (248/398) ======================= q-point: (-0.17 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -2.605 6.722 8.746) 11.334 3.276 ( 1.304 1.389 -4.006) 4.436 3.768 ( -4.525 20.664 9.677) 23.261 4.183 ( -4.191 -14.593 -3.044) 15.485 4.961 ( 1.976 3.473 10.027) 10.794 5.217 ( 0.007 -5.840 -5.571) 8.071 6.218 ( -2.538 3.731 11.916) 12.742 6.336 ( -1.990 1.460 6.331) 6.795 7.781 ( 4.994 -5.331 -10.531) 12.817 7.942 ( 7.278 -3.749 -8.269) 11.636 11.218 ( -3.635 0.828 5.229) 6.422 11.249 ( -4.589 1.486 2.937) 5.647 11.860 ( 2.817 5.283 -1.037) 6.076 11.977 ( 2.754 -4.098 -3.312) 5.945 13.045 ( -2.257 -0.896 4.327) 4.962 13.231 ( -5.071 1.498 -2.846) 6.005 13.993 ( 2.102 -0.384 4.636) 5.105 14.050 ( -2.900 1.918 -2.956) 4.563 ======================= Grid point 494 (249/398) ======================= q-point: (-0.08 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 1.528 1.146 9.648) 9.835 3.222 ( 0.457 2.890 -7.622) 8.165 3.541 ( -4.152 16.040 16.983) 23.727 4.283 ( -4.101 -11.443 -7.485) 14.275 4.910 ( -0.794 10.344 1.918) 10.550 5.173 ( -5.692 2.077 -2.422) 6.525 6.091 ( -12.277 4.654 5.859) 14.378 6.513 ( 15.309 3.001 14.977) 21.626 7.860 ( 3.581 -9.094 -10.290) 14.191 8.041 ( 5.113 -7.613 -8.077) 12.220 11.150 ( -3.154 5.505 4.111) 7.560 11.214 ( -3.168 2.640 4.343) 5.989 11.750 ( 0.839 9.519 0.406) 9.564 12.122 ( 4.702 -11.480 -5.846) 13.714 13.032 ( -5.977 -1.023 0.860) 6.125 13.169 ( -1.519 0.284 1.640) 2.253 13.943 ( -3.323 4.564 -2.470) 6.162 14.045 ( 2.490 1.882 4.376) 5.375 ======================= Grid point 500 (250/398) ======================= q-point: ( 0.42 0.42 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -5.256 0.000 11.732) 12.856 3.312 ( 8.847 -0.000 18.017) 20.072 3.636 ( -4.371 0.000 0.413) 4.391 3.985 ( 7.430 -0.000 9.537) 12.089 4.554 ( 7.357 -0.000 -4.459) 8.603 4.773 ( -5.849 0.000 0.120) 5.850 5.533 ( -5.622 0.000 5.374) 7.777 6.837 ( -15.824 0.000 -7.704) 17.599 8.128 ( 3.633 -0.000 -5.117) 6.276 8.166 ( 2.177 -0.000 -4.755) 5.230 11.062 ( -1.601 0.000 2.663) 3.107 11.076 ( -0.925 0.000 1.065) 1.411 11.651 ( -5.491 0.000 8.908) 10.464 12.096 ( 5.445 -0.000 -3.479) 6.462 13.092 ( 1.729 -0.000 -0.535) 1.810 13.378 ( 0.447 -0.000 7.085) 7.099 13.684 ( 3.943 -0.000 -4.324) 5.851 14.263 ( 2.099 -0.000 -10.012) 10.230 ======================= Grid point 501 (251/398) ======================= q-point: ( 0.50 0.42 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -4.427 -7.194 12.031) 14.700 3.489 ( -1.115 3.853 10.430) 11.174 3.694 ( 1.134 -9.545 7.873) 12.425 4.185 ( 7.443 -5.104 8.193) 12.189 4.619 ( 2.804 3.405 1.431) 4.637 4.659 ( -0.151 1.998 -3.320) 3.878 5.506 ( -4.508 0.647 6.790) 8.176 6.604 ( -15.946 -4.977 -10.147) 19.545 8.100 ( 3.582 4.987 -4.939) 7.880 8.147 ( 4.134 2.269 -5.433) 7.194 11.043 ( -2.332 -0.007 1.857) 2.981 11.107 ( -1.596 -3.810 1.139) 4.285 11.651 ( -5.783 -0.509 8.224) 10.067 12.162 ( 8.373 0.922 -1.037) 8.488 13.099 ( 0.276 0.252 -0.229) 0.438 13.463 ( 1.284 -1.990 7.577) 7.939 13.669 ( 1.153 0.919 -5.694) 5.882 14.196 ( -0.149 -0.520 -10.671) 10.685 ======================= Grid point 502 (252/398) ======================= q-point: (-0.42 -0.58 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -2.256 -9.352 10.134) 13.973 3.448 ( -4.815 1.818 2.897) 5.906 3.807 ( -10.450 -2.517 5.011) 11.860 4.436 ( 5.974 -9.922 6.564) 13.313 4.576 ( 8.266 5.773 3.184) 10.573 4.702 ( 2.590 2.475 4.192) 5.514 5.560 ( -1.080 -5.934 10.545) 12.148 6.428 ( -14.972 -8.283 -10.865) 20.269 8.011 ( 3.638 7.415 -5.810) 10.098 8.113 ( 6.310 5.278 -6.408) 10.427 11.043 ( -2.532 -2.121 2.245) 3.994 11.157 ( -2.026 -4.956 1.077) 5.462 11.653 ( -5.278 -1.134 7.352) 9.121 12.241 ( 9.105 3.013 -0.716) 9.617 13.088 ( -0.635 0.977 0.334) 1.212 13.538 ( -0.780 0.854 -0.736) 1.371 13.638 ( 0.180 -2.982 1.345) 3.276 14.123 ( -1.744 -1.775 -8.731) 9.079 ======================= Grid point 503 (253/398) ======================= q-point: (-0.33 -0.58 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -1.983 -1.118 7.077) 7.434 3.375 ( -3.637 1.619 -0.814) 4.063 3.693 ( -16.254 -6.129 4.122) 17.854 4.546 ( 2.233 12.244 -1.477) 12.534 4.698 ( 4.250 -11.326 5.506) 13.291 4.797 ( 5.926 -1.272 10.272) 11.927 5.829 ( 5.339 -12.324 15.452) 20.474 6.289 ( -14.440 -8.456 -9.978) 19.483 7.899 ( 4.410 7.793 -7.432) 11.637 8.057 ( 7.521 6.940 -7.347) 12.598 11.075 ( -2.406 -3.699 3.073) 5.377 11.210 ( -2.709 -5.011 1.575) 5.910 11.668 ( -4.148 -2.287 5.503) 7.260 12.274 ( 8.152 6.274 -1.935) 10.467 13.065 ( -1.526 1.354 1.733) 2.676 13.428 ( -4.306 2.818 -6.622) 8.387 13.762 ( 1.023 -5.780 6.911) 9.067 14.073 ( -2.274 -2.682 -6.243) 7.165 ======================= Grid point 504 (254/398) ======================= q-point: (-0.25 -0.58 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( -4.975 8.554 4.522) 10.879 3.325 ( -0.809 1.125 -0.753) 1.577 3.718 ( -12.289 -16.344 4.247) 20.886 4.323 ( -2.482 17.023 1.188) 17.244 4.938 ( 3.195 -10.649 -2.289) 11.351 4.963 ( 3.512 -3.513 11.757) 12.764 6.148 ( -15.204 -8.777 -6.340) 18.666 6.220 ( 9.574 -7.989 16.729) 20.865 7.793 ( 5.135 5.750 -9.572) 12.290 7.997 ( 7.894 6.108 -7.882) 12.718 11.132 ( -2.345 -4.208 4.071) 6.307 11.248 ( -3.696 -3.041 3.019) 5.658 11.707 ( -2.186 -4.833 2.129) 5.716 12.227 ( 6.127 9.851 -3.291) 12.059 13.045 ( -2.412 0.640 3.133) 4.005 13.282 ( -5.585 2.138 -5.084) 7.849 13.908 ( 1.203 -5.041 6.553) 8.355 14.041 ( -2.293 -2.316 -4.487) 5.545 ======================= Grid point 505 (255/398) ======================= q-point: (-0.17 -0.58 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -3.616 5.679 5.565) 8.735 3.292 ( 0.569 2.229 -1.585) 2.794 3.858 ( -9.970 -17.111 1.925) 19.897 4.051 ( -3.431 17.221 4.056) 18.022 4.994 ( 3.504 -1.080 -12.559) 13.083 5.162 ( -1.995 -5.577 13.631) 14.862 6.038 ( -15.781 -7.433 1.042) 17.475 6.559 ( 11.673 -2.148 15.093) 19.201 7.726 ( 5.308 0.956 -11.354) 12.569 7.965 ( 7.173 2.712 -8.019) 11.096 11.192 ( -2.533 -3.257 4.955) 6.448 11.246 ( -4.136 0.589 4.720) 6.304 11.793 ( 0.366 -8.561 -1.569) 8.711 12.102 ( 3.814 11.956 -3.623) 13.062 13.018 ( -5.111 0.096 1.244) 5.261 13.179 ( -3.052 0.574 -0.279) 3.118 14.003 ( -2.535 -0.694 -2.988) 3.980 14.031 ( 1.562 -2.789 5.338) 6.222 ======================= Grid point 506 (256/398) ======================= q-point: (-0.08 -0.58 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -0.101 -0.300 6.487) 6.494 3.239 ( 1.298 4.511 -4.180) 6.285 3.794 ( -6.202 10.529 6.814) 13.991 4.010 ( -4.847 -10.628 0.314) 11.685 4.871 ( -1.094 1.350 -20.011) 20.086 5.244 ( -4.542 4.533 14.830) 16.159 5.987 ( -13.415 -4.753 7.813) 16.235 6.811 ( 11.964 0.972 11.928) 16.922 7.726 ( 4.634 -4.571 -11.583) 13.286 7.973 ( 5.148 -1.741 -8.222) 9.856 11.197 ( -4.058 2.657 4.905) 6.899 11.245 ( -1.613 -0.054 6.169) 6.377 11.892 ( 2.180 2.704 -3.015) 4.599 11.978 ( 1.743 -2.334 -4.136) 5.059 12.939 ( -6.541 -0.415 -1.295) 6.681 13.184 ( 0.348 -0.512 3.775) 3.826 13.936 ( -2.828 2.253 -2.482) 4.386 14.117 ( 1.758 -0.598 4.902) 5.242 ======================= Grid point 513 (257/398) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -6.315 0.000 14.793) 16.085 3.485 ( -7.692 0.000 0.157) 7.693 3.753 ( -2.265 0.000 15.904) 16.065 4.302 ( 3.830 -0.000 11.119) 11.760 4.679 ( 2.025 -0.000 3.061) 3.670 4.691 ( 8.982 -0.000 -3.693) 9.712 5.529 ( -1.324 0.000 6.891) 7.017 6.274 ( -15.321 0.000 -14.054) 20.790 8.148 ( 2.412 -0.000 -5.064) 5.609 8.174 ( 6.186 -0.000 -5.050) 7.986 11.028 ( -2.606 0.000 1.494) 3.004 11.066 ( -1.358 0.000 1.242) 1.841 11.639 ( -6.154 0.000 8.751) 10.698 12.281 ( 9.913 -0.000 -0.339) 9.919 13.093 ( -0.998 0.000 0.142) 1.008 13.529 ( 1.367 -0.000 8.172) 8.285 13.622 ( -1.374 0.000 -8.041) 8.158 14.094 ( -1.761 0.000 -10.701) 10.845 ======================= Grid point 514 (258/398) ======================= q-point: (-0.42 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -5.905 -8.543 14.185) 17.580 3.386 ( -8.036 -0.387 -0.754) 8.080 3.714 ( -13.870 3.395 6.221) 15.575 4.440 ( -3.790 -4.741 15.489) 16.636 4.748 ( 11.523 3.216 -2.432) 12.208 4.819 ( 7.194 -0.451 5.078) 8.817 5.604 ( 3.981 -1.547 10.009) 10.882 6.034 ( -13.142 -7.510 -15.439) 21.621 8.102 ( 3.098 4.880 -5.362) 7.885 8.200 ( 6.869 2.373 -5.829) 9.316 11.014 ( -1.832 -0.505 2.096) 2.829 11.083 ( -1.787 -3.142 1.302) 3.842 11.633 ( -6.150 -0.487 8.533) 10.530 12.386 ( 9.883 1.837 -1.550) 10.171 13.080 ( -1.715 -0.110 0.479) 1.784 13.503 ( -3.667 2.001 -8.688) 9.640 13.630 ( 0.645 -2.900 7.685) 8.240 14.003 ( -2.512 -1.599 -8.329) 8.845 ======================= Grid point 515 (259/398) ======================= q-point: (-0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -3.610 -10.269 11.201) 15.619 3.270 ( -10.881 -1.482 -3.409) 11.498 3.507 ( -14.640 2.800 5.546) 15.904 4.564 ( -10.977 -6.177 16.503) 20.760 4.774 ( 9.307 7.141 -7.748) 14.059 4.920 ( 5.372 0.352 5.937) 8.014 5.827 ( -1.835 -10.477 -2.651) 10.962 5.963 ( 1.669 -9.561 4.116) 10.542 8.010 ( 3.938 7.522 -6.407) 10.637 8.183 ( 7.386 5.443 -6.837) 11.443 11.034 ( -1.365 -2.169 3.002) 3.947 11.126 ( -1.987 -4.344 1.831) 5.116 11.630 ( -5.938 -1.222 6.861) 9.156 12.436 ( 8.807 4.730 -4.004) 10.769 13.061 ( -2.520 0.184 1.429) 2.903 13.347 ( -5.528 2.142 -7.918) 9.891 13.754 ( 0.560 -4.745 8.174) 9.468 13.952 ( -2.397 -3.152 -6.057) 7.237 ======================= Grid point 516 (260/398) ======================= q-point: (-0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( -6.563 6.294 1.854) 9.280 3.240 ( -7.600 -13.703 3.018) 15.957 3.413 ( -10.860 -4.864 6.485) 13.552 4.476 ( -5.814 10.762 -0.809) 12.258 4.820 ( -5.086 -9.854 9.179) 14.395 5.032 ( 7.830 0.033 -0.107) 7.831 5.772 ( -12.721 -10.023 -9.476) 18.764 6.357 ( 12.843 -10.443 16.845) 23.616 7.891 ( 4.769 8.544 -8.342) 12.858 8.129 ( 7.447 7.006 -7.531) 12.699 11.085 ( -1.361 -3.447 3.925) 5.398 11.182 ( -2.232 -4.185 3.297) 5.776 11.630 ( -5.005 -2.980 3.520) 6.806 12.402 ( 7.041 8.211 -6.104) 12.420 13.030 ( -3.978 0.559 1.515) 4.294 13.206 ( -4.897 1.210 -3.670) 6.239 13.897 ( 0.382 -5.363 7.240) 9.018 13.935 ( -1.803 -3.806 -4.234) 5.972 ======================= Grid point 517 (261/398) ======================= q-point: (-0.17 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -8.104 3.126 1.792) 8.869 3.319 ( 0.426 0.056 1.268) 1.339 3.504 ( -11.782 -17.806 7.654) 22.681 4.210 ( -4.781 12.349 -4.965) 14.142 4.936 ( 0.856 -1.198 -5.772) 5.957 5.121 ( -3.224 -7.671 9.322) 12.496 5.718 ( -13.320 -10.917 0.739) 17.238 6.755 ( 11.110 -6.362 14.756) 19.536 7.765 ( 5.306 6.982 -10.713) 13.845 8.059 ( 6.847 6.559 -7.875) 12.325 11.153 ( -1.788 -3.748 4.934) 6.449 11.231 ( -2.746 -2.045 5.267) 6.282 11.660 ( -2.747 -6.785 -0.614) 7.346 12.288 ( 5.079 11.312 -6.307) 13.912 12.953 ( -6.105 1.283 -1.152) 6.344 13.163 ( -1.327 -0.865 2.358) 2.841 13.923 ( -2.176 -2.775 -3.401) 4.899 14.038 ( 0.882 -4.628 6.377) 7.928 ======================= Grid point 518 (262/398) ======================= q-point: (-0.08 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -6.279 -3.887 3.558) 8.197 3.314 ( 2.563 4.132 0.267) 4.869 3.647 ( -8.852 -11.835 2.883) 15.058 3.986 ( -3.942 4.094 -2.717) 6.299 4.765 ( -1.733 8.727 -16.250) 18.527 5.295 ( -5.383 -7.161 14.574) 17.107 5.763 ( -12.240 -11.145 8.962) 18.824 7.029 ( 8.695 -1.047 11.287) 14.286 7.674 ( 5.049 1.943 -12.037) 13.197 7.993 ( 5.371 4.385 -8.354) 10.856 11.209 ( -3.010 -1.001 6.623) 7.343 11.260 ( -1.778 -1.136 5.402) 5.800 11.748 ( -0.790 -10.587 -3.755) 11.261 12.121 ( 3.501 12.868 -4.894) 14.206 12.855 ( -4.962 0.602 -1.403) 5.191 13.209 ( 1.037 -1.809 4.046) 4.552 13.896 ( -2.409 -0.567 -2.563) 3.563 14.148 ( 0.850 -2.811 5.269) 6.032 ======================= Grid point 526 (263/398) ======================= q-point: (-0.42 -0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -9.661 0.000 16.044) 18.728 3.260 ( -9.726 0.000 -2.044) 9.939 3.596 ( -14.894 0.000 2.053) 15.035 4.437 ( -13.666 0.000 21.540) 25.509 4.900 ( 13.679 -0.000 -8.254) 15.976 4.956 ( 5.407 -0.000 8.790) 10.320 5.684 ( -10.160 0.000 -19.111) 21.644 5.771 ( 10.065 -0.000 12.823) 16.301 8.133 ( 2.905 -0.000 -5.103) 5.872 8.263 ( 7.588 -0.000 -6.061) 9.711 11.012 ( -0.847 0.000 2.140) 2.301 11.049 ( -1.856 0.000 2.057) 2.770 11.615 ( -6.933 0.000 8.352) 10.855 12.503 ( 9.710 -0.000 -3.840) 10.442 13.059 ( -2.182 0.000 0.892) 2.358 13.382 ( -5.524 0.000 -10.100) 11.512 13.681 ( 0.199 -0.000 8.942) 8.944 13.901 ( -2.502 0.000 -6.564) 7.024 ======================= Grid point 527 (264/398) ======================= q-point: (-0.33 -0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -12.481 -11.786 15.228) 22.947 3.094 ( -12.565 1.739 -3.957) 13.287 3.424 ( -10.452 1.790 2.034) 10.797 4.447 ( -19.119 -5.314 24.180) 31.280 4.881 ( 1.742 8.198 -10.846) 13.707 5.066 ( 8.531 0.326 2.889) 9.013 5.512 ( -4.674 -6.617 -15.615) 17.591 6.082 ( 13.522 -6.583 16.079) 22.016 8.099 ( 3.622 4.552 -5.376) 7.921 8.286 ( 7.573 3.132 -6.758) 10.622 11.025 ( -0.612 -0.577 2.752) 2.877 11.070 ( -1.457 -2.895 2.728) 4.236 11.587 ( -7.601 -0.537 6.580) 10.068 12.558 ( 8.908 2.726 -6.975) 11.638 13.040 ( -2.700 0.071 1.660) 3.170 13.234 ( -6.004 0.516 -7.327) 9.487 13.770 ( -0.024 -2.661 8.924) 9.313 13.842 ( -1.966 -1.980 -5.210) 5.910 ======================= Grid point 528 (265/398) ======================= q-point: (-0.25 -0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( -18.892 -2.593 -1.075) 19.100 2.910 ( -9.397 -14.292 10.739) 20.197 3.346 ( -4.102 -0.309 2.588) 4.860 4.465 ( -14.778 -1.721 12.487) 19.423 4.665 ( -10.024 -0.300 -1.912) 10.209 5.186 ( 11.912 3.238 -1.728) 12.465 5.440 ( -7.123 -6.920 -9.519) 13.756 6.497 ( 12.436 -9.779 16.345) 22.747 8.012 ( 4.494 8.156 -6.670) 11.454 8.257 ( 7.361 5.980 -7.284) 11.959 11.060 ( -0.934 -2.207 3.633) 4.353 11.130 ( -1.046 -4.000 3.660) 5.522 11.547 ( -7.476 -1.772 3.638) 8.501 12.536 ( 7.736 5.893 -9.087) 13.310 12.998 ( -4.428 1.604 0.413) 4.728 13.136 ( -3.620 -1.043 -1.412) 4.023 13.823 ( -1.561 -3.317 -4.174) 5.555 13.892 ( 0.109 -4.693 8.131) 9.389 ======================= Grid point 529 (266/398) ======================= q-point: (-0.17 -0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -16.045 -1.361 -1.417) 16.165 3.144 ( -11.903 -20.925 11.891) 26.850 3.351 ( 0.323 -0.733 1.980) 2.136 4.235 ( -4.657 10.329 -13.130) 17.342 4.745 ( -17.581 -18.668 19.716) 32.347 5.141 ( 3.248 10.021 -8.987) 13.846 5.465 ( -3.769 -10.080 2.042) 10.953 6.882 ( 8.403 -8.442 14.397) 18.686 7.880 ( 5.324 10.102 -8.883) 14.468 8.190 ( 7.058 7.774 -7.529) 12.920 11.118 ( -1.313 -3.494 4.384) 5.758 11.205 ( -1.584 -3.474 5.368) 6.587 11.523 ( -5.636 -4.766 0.130) 7.382 12.447 ( 6.544 9.098 -8.665) 14.166 12.902 ( -4.705 2.445 -1.055) 5.407 13.145 ( -0.884 -2.541 2.707) 3.816 13.825 ( -1.535 -3.568 -3.497) 5.226 14.024 ( 0.098 -5.198 7.003) 8.722 ======================= Grid point 530 (267/398) ======================= q-point: (-0.08 -0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -14.639 -8.004 1.150) 16.723 3.373 ( -10.304 -16.864 10.158) 22.220 3.397 ( 3.290 -1.544 2.073) 4.184 3.929 ( -3.989 8.434 -15.458) 18.055 4.822 ( -0.413 10.344 -7.558) 12.818 5.084 ( -15.986 -19.209 18.904) 31.336 5.591 ( -2.391 -7.481 5.196) 9.417 7.154 ( 3.352 -5.106 11.987) 13.453 7.731 ( 6.174 9.239 -11.222) 15.793 8.097 ( 6.507 8.465 -8.022) 13.355 11.191 ( -1.687 -3.986 5.291) 6.837 11.260 ( -2.572 -1.239 6.585) 7.177 11.558 ( -2.849 -8.978 -2.945) 9.869 12.310 ( 5.390 11.990 -6.914) 14.853 12.817 ( -2.645 1.696 -0.817) 3.247 13.214 ( 1.012 -3.385 3.351) 4.869 13.826 ( -1.815 -2.549 -2.543) 4.033 14.142 ( -0.099 -4.314 5.429) 6.935 ======================= Grid point 539 (268/398) ======================= q-point: (-0.33 -0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -20.253 0.000 16.961) 26.417 2.907 ( -14.949 0.000 -5.468) 15.918 3.347 ( -4.773 0.000 1.103) 4.898 4.338 ( -25.491 0.000 29.904) 39.294 4.819 ( -3.624 0.000 -22.924) 23.208 5.114 ( 1.275 -0.000 3.431) 3.660 5.421 ( 8.616 -0.000 -8.978) 12.443 6.325 ( 12.841 -0.000 16.757) 21.111 8.141 ( 4.047 -0.000 -4.786) 6.268 8.349 ( 7.381 -0.000 -6.969) 10.152 11.041 ( 0.348 -0.000 1.807) 1.840 11.052 ( -1.785 0.000 4.428) 4.774 11.526 ( -8.862 0.000 5.112) 10.231 12.621 ( 8.676 -0.000 -9.893) 13.158 13.026 ( -2.364 0.000 2.495) 3.437 13.114 ( -5.643 0.000 -4.914) 7.483 13.771 ( -1.160 0.000 -4.529) 4.675 13.818 ( -0.379 0.000 9.033) 9.041 ======================= Grid point 540 (269/398) ======================= q-point: (-0.25 -0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -22.750 -10.611 14.630) 29.055 2.668 ( -17.653 -4.237 -3.554) 18.499 3.332 ( 0.107 -0.298 1.434) 1.468 4.291 ( -27.706 -6.488 31.704) 42.601 4.529 ( -5.345 5.001 -21.950) 23.138 5.201 ( 0.328 -6.763 0.585) 6.797 5.425 ( 8.933 7.004 -7.512) 13.613 6.643 ( 9.527 -6.152 16.160) 19.742 8.122 ( 4.913 5.190 -5.214) 8.847 8.360 ( 7.191 3.305 -7.032) 10.587 11.056 ( -0.647 -0.527 2.976) 3.091 11.098 ( -0.800 -3.113 3.982) 5.117 11.452 ( -9.035 -0.880 3.466) 9.716 12.622 ( 8.403 3.133 -10.992) 14.186 12.980 ( -3.802 2.847 -0.331) 4.762 13.065 ( -2.475 -3.050 0.713) 3.992 13.741 ( -0.516 -1.711 -3.986) 4.368 13.900 ( -0.557 -2.694 8.425) 8.863 ======================= Grid point 541 (270/398) ======================= q-point: (-0.17 -0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -21.721 -3.407 -1.981) 22.076 2.736 ( -17.806 -23.878 13.790) 32.823 3.370 ( 2.812 -1.001 0.654) 3.056 4.200 ( -4.129 7.262 -14.637) 16.853 4.385 ( -26.605 -16.547 27.808) 41.892 5.220 ( -2.057 4.742 -5.312) 7.412 5.408 ( 7.715 -0.428 -2.164) 8.024 6.950 ( 3.896 -7.767 14.026) 16.499 8.035 ( 6.054 9.746 -6.687) 13.280 8.328 ( 7.495 6.337 -6.814) 11.948 11.088 ( -1.241 -2.422 2.928) 3.997 11.175 ( -0.976 -4.285 4.621) 6.377 11.395 ( -7.496 -2.653 2.383) 8.301 12.576 ( 8.129 6.274 -10.225) 14.491 12.887 ( -2.970 2.952 -0.971) 4.299 13.110 ( -0.620 -3.767 2.425) 4.523 13.740 ( -0.468 -2.668 -3.329) 4.292 14.004 ( -0.792 -4.494 7.095) 8.436 ======================= Grid point 542 (271/398) ======================= q-point: (-0.08 -0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -20.545 -9.846 -0.162) 22.783 2.994 ( -15.731 -24.396 14.623) 32.503 3.432 ( 4.305 -1.633 -1.370) 4.804 3.931 ( -0.504 10.079 -13.254) 16.659 4.609 ( -22.437 -25.614 27.822) 43.972 5.012 ( -1.393 12.709 -5.390) 13.875 5.530 ( 3.242 -5.787 0.474) 6.650 7.155 ( -3.267 -6.531 10.970) 13.178 7.903 ( 7.924 12.169 -8.231) 16.692 8.259 ( 7.912 9.298 -6.994) 14.070 11.139 ( -1.808 -4.378 2.604) 5.405 11.256 ( -2.056 -3.364 6.390) 7.509 11.391 ( -4.315 -5.714 0.605) 7.186 12.481 ( 6.926 9.600 -9.545) 15.207 12.822 ( -0.484 2.238 0.003) 2.289 13.190 ( 0.802 -4.546 2.386) 5.197 13.750 ( -0.797 -2.833 -2.319) 3.747 14.109 ( -1.134 -4.880 5.246) 7.254 ======================= Grid point 552 (272/398) ======================= q-point: (-0.25 -0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -24.395 0.000 22.817) 33.402 2.320 ( -23.854 0.000 -8.355) 25.275 3.356 ( 2.512 -0.000 0.561) 2.574 4.134 ( -32.600 0.000 37.403) 49.616 4.327 ( -3.533 0.000 -23.129) 23.397 5.176 ( 2.058 -0.000 -0.084) 2.060 5.525 ( 7.245 -0.000 -7.515) 10.439 6.812 ( 4.859 -0.000 15.580) 16.320 8.191 ( 5.978 -0.000 -4.510) 7.488 8.419 ( 7.186 -0.000 -6.587) 9.748 11.071 ( 0.479 -0.000 0.648) 0.806 11.084 ( -2.461 0.000 4.684) 5.291 11.364 ( -8.886 0.000 4.846) 10.122 12.665 ( 8.961 -0.000 -11.743) 14.771 12.957 ( -3.102 0.000 -2.010) 3.697 13.026 ( -1.043 0.000 3.062) 3.234 13.700 ( 0.429 -0.000 -3.571) 3.596 13.932 ( -1.184 0.000 7.837) 7.926 ======================= Grid point 553 (273/398) ======================= q-point: (-0.17 -0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -26.312 -2.694 -4.492) 26.828 2.305 ( -21.580 -18.628 23.535) 36.967 3.398 ( 3.667 -0.622 -0.779) 3.800 4.080 ( -32.925 -9.157 37.210) 50.522 4.117 ( -1.503 2.877 -15.838) 16.167 5.207 ( 1.597 -0.297 -2.079) 2.638 5.503 ( 5.791 4.163 -7.633) 10.446 6.982 ( -1.609 -4.297 13.247) 14.019 8.191 ( 7.218 6.406 -4.782) 10.770 8.443 ( 8.123 3.019 -5.893) 10.480 11.063 ( -2.388 -0.574 1.096) 2.689 11.120 ( -0.985 -4.167 0.642) 4.330 11.322 ( -6.781 -0.659 8.705) 11.054 12.658 ( 8.134 2.869 -12.803) 15.437 12.897 ( -0.680 2.557 -0.347) 2.668 13.070 ( -0.008 -3.339 2.335) 4.074 13.691 ( 0.728 -1.005 -2.928) 3.180 13.989 ( -1.795 -2.661 6.499) 7.248 ======================= Grid point 554 (274/398) ======================= q-point: (-0.08 -0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -23.535 -10.004 1.944) 25.646 2.570 ( -17.501 -24.525 22.717) 37.733 3.445 ( 4.101 -1.045 -3.309) 5.372 3.960 ( 1.865 4.261 -10.149) 11.164 4.199 ( -29.331 -20.600 38.304) 52.458 5.131 ( 1.512 9.260 -5.862) 11.063 5.504 ( 4.560 -2.534 -4.693) 7.017 7.074 ( -8.874 -4.952 9.362) 13.817 8.121 ( 8.424 10.959 -5.368) 14.828 8.435 ( 9.190 7.155 -6.036) 13.118 11.061 ( -3.356 -3.903 0.092) 5.148 11.183 ( -0.415 -5.808 -0.588) 5.852 11.341 ( -4.867 -0.941 10.990) 12.056 12.580 ( 5.560 5.318 -13.802) 15.801 12.879 ( 3.076 2.862 1.614) 4.501 13.148 ( 0.836 -4.561 1.692) 4.936 13.698 ( 0.454 -1.625 -1.945) 2.575 14.059 ( -2.298 -4.394 4.596) 6.761 ======================= Grid point 565 (275/398) ======================= q-point: (-0.17 -0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -26.959 0.000 1.256) 26.988 2.117 ( -20.953 0.000 32.050) 38.291 3.430 ( 3.885 -0.000 -2.065) 4.400 3.887 ( -33.231 0.000 36.448) 49.323 4.030 ( -0.757 0.000 -6.820) 6.862 5.223 ( 3.740 -0.000 -2.876) 4.718 5.523 ( 3.931 -0.000 -9.891) 10.644 6.989 ( -7.860 0.000 10.923) 13.457 8.306 ( 8.211 -0.000 -3.523) 8.935 8.527 ( 9.338 -0.000 -5.394) 10.784 11.005 ( -4.779 0.000 -1.851) 5.125 11.090 ( 0.584 -0.000 0.195) 0.615 11.330 ( -5.426 0.000 12.723) 13.832 12.649 ( 5.200 -0.000 -15.467) 16.317 12.936 ( 3.486 -0.000 0.421) 3.512 13.066 ( 0.793 -0.000 2.238) 2.374 13.679 ( 1.416 -0.000 -2.260) 2.666 13.987 ( -2.760 0.000 5.236) 5.919 ======================= Grid point 566 (276/398) ======================= q-point: (-0.08 -0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -18.156 -5.604 14.818) 24.096 2.264 ( -17.314 -16.412 32.278) 40.137 3.457 ( 3.587 -0.067 -3.726) 5.173 3.834 ( -26.563 -9.283 28.826) 40.283 4.026 ( -1.595 -2.207 8.505) 8.930 5.220 ( 4.139 4.438 -5.283) 8.046 5.485 ( 4.010 -0.309 -9.675) 10.478 6.943 ( -13.988 -2.477 6.963) 15.820 8.326 ( 8.131 7.467 -3.317) 11.528 8.583 ( 9.825 3.363 -6.564) 12.285 10.952 ( -4.063 -2.887 -2.107) 5.412 11.119 ( 0.555 -2.898 -0.325) 2.968 11.369 ( -5.167 -0.204 13.207) 14.183 12.565 ( 3.550 1.761 -16.100) 16.581 12.986 ( 5.971 1.892 0.960) 6.337 13.117 ( 1.074 -2.898 1.563) 3.464 13.685 ( 1.340 -0.249 -1.356) 1.922 14.002 ( -3.449 -2.738 3.467) 5.605 ======================= Grid point 578 (277/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -3.685 0.000 28.726) 28.961 2.208 ( -15.560 0.000 36.822) 39.975 3.473 ( 3.502 -0.000 -4.123) 5.410 3.654 ( -31.860 0.000 38.608) 50.056 4.102 ( 7.339 -0.000 6.547) 9.834 5.275 ( 5.633 -0.000 -5.335) 7.758 5.442 ( 4.245 -0.000 -12.942) 13.620 6.764 ( -18.637 0.000 3.538) 18.970 8.457 ( 6.970 -0.000 -2.673) 7.465 8.659 ( 7.776 -0.000 -8.752) 11.707 10.864 ( -3.550 0.000 -2.506) 4.345 11.101 ( 0.301 -0.000 -0.583) 0.656 11.401 ( -5.846 0.000 12.834) 14.102 12.491 ( 3.631 -0.000 -16.483) 16.879 13.080 ( 6.491 -0.000 -0.197) 6.494 13.121 ( 0.800 -0.000 1.647) 1.831 13.695 ( 1.484 -0.000 -0.522) 1.573 13.954 ( -4.352 0.000 1.982) 4.782 ======================= Grid point 579 (278/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 2.371 -0.000 23.180) 23.300 2.953 ( -9.686 0.000 12.656) 15.938 3.447 ( 1.217 -0.000 5.780) 5.907 3.965 ( -1.003 0.000 2.597) 2.784 4.787 ( -10.171 0.000 10.149) 14.369 5.148 ( 4.984 -0.000 -9.155) 10.424 5.447 ( 21.717 -0.000 13.711) 25.683 6.123 ( -21.249 0.000 -9.579) 23.308 8.461 ( 1.183 -0.000 -2.934) 3.164 8.497 ( 2.701 -0.000 -5.104) 5.774 10.791 ( -1.108 0.000 2.856) 3.064 10.986 ( -1.117 0.000 -5.189) 5.308 11.648 ( -9.060 0.000 11.266) 14.457 12.124 ( 10.677 -0.000 -12.652) 16.555 13.153 ( -2.212 0.000 0.751) 2.336 13.183 ( 3.310 -0.000 -1.050) 3.473 13.758 ( 2.024 -0.000 1.760) 2.682 13.831 ( -4.548 0.000 -1.335) 4.740 ======================= Grid point 580 (279/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 1.272 -0.141 19.440) 19.482 2.946 ( -6.511 -4.622 1.237) 8.080 3.483 ( -2.952 2.229 11.826) 12.391 4.009 ( 0.555 -6.026 -1.203) 6.170 4.734 ( -10.122 -1.962 4.557) 11.273 5.118 ( -0.827 -1.020 -8.347) 8.449 5.843 ( -2.887 -2.925 -0.530) 4.144 5.907 ( 14.832 -4.293 9.849) 18.314 8.397 ( -0.344 5.846 -3.012) 6.585 8.452 ( 1.652 4.943 -4.844) 7.115 10.840 ( -0.151 -3.647 4.575) 5.853 10.954 ( -1.144 -3.022 -4.638) 5.653 11.633 ( -7.842 -1.175 10.061) 12.811 12.174 ( 12.548 0.505 -11.677) 17.148 13.129 ( -3.989 -1.406 0.255) 4.237 13.201 ( 0.519 -0.244 -0.998) 1.151 13.781 ( -4.321 -1.865 -1.318) 4.887 13.812 ( 2.791 -1.117 3.022) 4.263 ======================= Grid point 581 (280/398) ======================= q-point: ( 0.17 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 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -0.435 0.932 15.680) 15.714 2.919 ( -2.553 -4.109 -10.668) 11.713 3.534 ( -5.495 -2.173 17.257) 18.241 4.115 ( 6.584 -8.056 -11.147) 15.248 4.653 ( -15.481 -3.088 5.767) 16.806 5.056 ( -4.227 -3.324 -3.745) 6.553 5.800 ( -3.651 -9.240 -7.501) 12.448 6.374 ( 22.538 -2.796 17.962) 28.955 8.243 ( -1.600 9.992 -3.875) 10.836 8.332 ( 1.383 8.791 -5.004) 10.209 10.948 ( 0.015 -5.450 4.618) 7.144 10.978 ( -0.653 -6.164 -1.790) 6.451 11.646 ( -6.061 -2.297 9.252) 11.296 12.219 ( 12.302 2.803 -11.987) 17.404 13.095 ( -5.091 -1.566 -0.563) 5.356 13.195 ( -1.522 -0.629 0.297) 1.674 13.753 ( -4.289 -3.287 -1.545) 5.620 13.911 ( 3.684 -3.014 4.182) 6.336 ======================= Grid point 582 (281/398) ======================= q-point: ( 0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 1.177 -1.735 -11.007) 11.205 2.870 ( -2.019 -0.852 6.847) 7.189 3.677 ( -3.964 -6.858 16.785) 18.560 4.182 ( 7.125 -1.450 -14.371) 16.106 4.542 ( -12.997 -5.373 -3.428) 14.476 5.091 ( -6.073 -8.512 8.234) 13.309 5.872 ( -1.878 -10.896 -4.015) 11.763 6.780 ( 17.764 -0.993 14.382) 22.877 8.026 ( -1.520 12.297 -5.139) 13.414 8.166 ( 0.952 10.369 -5.851) 11.944 11.039 ( -1.465 -6.925 1.651) 7.268 11.100 ( 0.894 -7.348 3.725) 8.287 11.686 ( -4.219 -2.400 8.374) 9.679 12.197 ( 9.429 6.070 -12.527) 16.813 13.032 ( -5.673 -0.004 -1.394) 5.842 13.202 ( -0.993 -1.589 1.958) 2.710 13.750 ( -3.857 -5.015 -1.392) 6.478 14.041 ( 3.675 -3.715 4.400) 6.832 ======================= Grid point 583 (282/398) ======================= q-point: ( 0.33 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 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 3.106 -8.289 -13.846) 16.433 2.909 ( 0.015 2.105 7.859) 8.136 3.867 ( -1.982 -8.490 12.500) 15.240 4.079 ( -4.688 7.682 -4.325) 9.984 4.440 ( -0.200 -3.410 -18.550) 18.861 5.257 ( -7.466 -12.645 14.701) 20.779 5.982 ( -3.257 -10.580 -0.024) 11.070 7.052 ( 12.233 2.173 10.090) 16.006 7.796 ( -0.169 11.786 -5.807) 13.140 7.981 ( 0.692 9.272 -7.389) 11.876 11.143 ( -1.952 -7.145 4.253) 8.541 11.244 ( 0.871 -7.243 3.241) 7.983 11.734 ( -2.437 -2.046 6.483) 7.222 12.089 ( 5.473 8.370 -11.839) 15.497 12.938 ( -5.315 1.522 -1.901) 5.847 13.245 ( 0.847 -1.784 2.706) 3.350 13.777 ( -3.059 -5.677 -0.956) 6.520 14.163 ( 2.830 -2.908 3.921) 5.643 ======================= Grid point 584 (283/398) ======================= q-point: ( 0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -0.449 -0.820 -0.124) 0.943 2.974 ( 6.337 -7.782 -2.810) 10.421 3.812 ( -9.162 10.440 -5.780) 15.045 4.042 ( -0.287 -5.346 7.741) 9.412 4.337 ( 0.095 -0.230 -13.536) 13.539 5.453 ( -6.034 -10.552 12.788) 17.644 6.071 ( -5.454 -5.972 4.474) 9.242 7.186 ( 8.236 3.751 4.695) 10.195 7.615 ( 1.497 8.671 -4.591) 9.925 7.825 ( 0.676 4.537 -8.505) 9.663 11.254 ( -2.372 -6.249 6.476) 9.307 11.363 ( 0.174 -4.235 3.458) 5.470 11.789 ( -0.343 -3.461 2.669) 4.383 11.924 ( 2.382 9.123 -10.171) 13.870 12.844 ( -3.657 1.559 -1.488) 4.245 13.304 ( 1.997 -0.726 2.469) 3.258 13.810 ( -2.291 -4.133 -0.679) 4.774 14.249 ( 1.562 -1.335 3.226) 3.825 ======================= Grid point 585 (284/398) ======================= q-point: (-0.50 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 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -3.460 9.350 4.250) 10.838 3.199 ( 6.092 -14.139 -2.762) 15.642 3.522 ( -5.460 7.690 -7.691) 12.169 4.036 ( -2.553 8.992 0.409) 9.357 4.326 ( -1.553 -8.673 -1.717) 8.977 5.584 ( -4.191 -4.445 9.046) 10.915 6.053 ( -8.105 4.938 8.967) 13.057 7.267 ( 7.588 -1.446 -1.868) 7.947 7.517 ( 0.892 5.027 -0.327) 5.116 7.751 ( 1.334 -2.265 -8.732) 9.119 11.359 ( -2.693 -4.793 7.634) 9.408 11.406 ( -1.023 1.709 4.634) 5.043 11.731 ( 0.606 9.623 -7.644) 12.304 11.887 ( 2.190 -7.760 -2.745) 8.518 12.790 ( -1.281 0.521 -0.410) 1.442 13.343 ( 2.025 1.144 1.624) 2.837 13.820 ( -1.572 -1.201 -0.456) 2.030 14.288 ( 0.212 0.393 2.531) 2.570 ======================= Grid point 586 (285/398) ======================= q-point: (-0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -9.795 17.040 5.934) 20.531 3.311 ( -0.607 -2.711 -13.034) 13.327 3.523 ( 7.496 -8.653 5.394) 12.656 3.824 ( -8.293 14.264 8.845) 18.720 4.437 ( 1.253 -10.074 -5.905) 11.744 5.610 ( -3.954 3.064 7.734) 9.211 5.873 ( -9.281 14.810 10.972) 20.636 7.383 ( 4.057 -5.293 -9.602) 11.691 7.480 ( -0.794 0.060 7.998) 8.038 7.806 ( 5.177 -9.383 -8.662) 13.779 11.352 ( -1.759 5.463 2.726) 6.354 11.448 ( -2.964 -0.553 7.618) 8.193 11.556 ( -0.238 6.931 -3.018) 7.563 12.017 ( 3.965 -9.424 -6.740) 12.246 12.791 ( 1.015 -0.678 0.834) 1.478 13.343 ( 1.479 3.091 0.608) 3.480 13.799 ( -0.715 1.704 -0.157) 1.854 14.282 ( -1.079 2.001 1.789) 2.893 ======================= Grid point 587 (286/398) ======================= q-point: (-0.33 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 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -11.350 17.937 10.400) 23.637 3.256 ( 1.446 -1.395 -9.402) 9.615 3.582 ( -10.454 14.703 14.077) 22.883 3.785 ( 7.256 -5.061 7.879) 11.846 4.552 ( 4.090 -10.992 -10.891) 16.005 5.490 ( -12.421 15.918 19.598) 28.137 5.639 ( -1.820 11.388 0.405) 11.540 7.293 ( -9.780 2.091 -1.111) 10.062 7.673 ( 7.110 -11.938 -0.309) 13.898 7.989 ( 7.554 -12.710 -7.520) 16.588 11.247 ( -2.569 7.706 1.151) 8.204 11.346 ( -0.057 7.984 -3.513) 8.723 11.572 ( -3.783 -1.896 11.731) 12.471 12.127 ( 4.452 -7.546 -10.913) 13.995 12.848 ( 3.317 -1.971 2.169) 4.427 13.305 ( 1.012 4.398 -0.117) 4.514 13.758 ( 0.321 3.469 0.052) 3.484 14.233 ( -2.328 3.311 0.903) 4.148 ======================= Grid point 588 (287/398) ======================= q-point: (-0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -7.248 13.243 19.573) 24.718 3.235 ( -1.824 1.303 2.949) 3.704 3.367 ( -8.003 11.500 10.100) 17.271 3.947 ( 8.040 2.423 3.972) 9.289 4.697 ( 6.948 -11.352 -10.386) 16.882 5.216 ( -16.837 19.450 27.316) 37.523 5.486 ( 1.753 8.466 -6.322) 10.710 7.095 ( -15.388 2.689 -0.848) 15.644 7.942 ( 7.216 -13.570 -1.390) 15.432 8.208 ( 7.463 -12.000 -7.170) 15.847 11.092 ( -2.979 8.549 -0.919) 9.100 11.228 ( 0.468 6.154 -2.146) 6.535 11.636 ( -5.797 -1.365 13.598) 14.845 12.165 ( 4.416 -3.846 -14.066) 15.237 12.955 ( 5.221 -2.496 2.362) 6.250 13.250 ( 0.915 4.522 -0.186) 4.617 13.717 ( 1.297 3.380 0.197) 3.625 14.147 ( -3.532 4.081 -0.121) 5.399 ======================= Grid point 589 (288/398) ======================= q-point: (-0.17 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 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -0.457 5.270 27.226) 27.735 3.139 ( -13.795 13.277 26.673) 32.833 3.301 ( 4.036 -3.551 -7.891) 9.549 3.988 ( 7.693 6.264 -0.562) 9.936 4.876 ( 8.223 -3.162 2.708) 9.217 4.987 ( -14.403 9.577 20.514) 26.832 5.339 ( 2.663 7.337 -8.767) 11.739 6.822 ( -19.686 2.914 -3.158) 20.149 8.200 ( 6.014 -12.064 -1.646) 13.580 8.385 ( 5.844 -8.559 -7.197) 12.618 10.936 ( -2.631 7.079 -0.669) 7.581 11.137 ( -0.112 4.510 -2.707) 5.261 11.672 ( -7.763 -0.529 13.785) 15.829 12.143 ( 5.471 -0.948 -15.088) 16.077 13.065 ( 5.713 -1.107 0.939) 5.894 13.203 ( 0.752 3.434 0.323) 3.530 13.704 ( 1.924 1.631 0.630) 2.600 14.033 ( -4.496 3.904 -1.053) 6.046 ======================= Grid point 590 (289/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 2.845 0.653 27.099) 27.256 3.009 ( -11.974 7.743 21.162) 25.518 3.370 ( 2.949 -3.268 0.097) 4.403 3.975 ( 3.848 4.583 -0.106) 5.985 4.844 ( -12.934 8.264 25.820) 30.038 5.092 ( 12.493 -4.812 -4.542) 14.137 5.237 ( 7.056 4.715 -5.756) 10.255 6.483 ( -22.373 2.460 -6.558) 23.444 8.391 ( 3.871 -7.694 -2.281) 8.909 8.479 ( 3.797 -3.720 -6.424) 8.338 10.826 ( -2.021 4.028 0.847) 4.586 11.054 ( -0.788 2.574 -4.175) 4.967 11.672 ( -9.070 0.184 12.743) 15.643 12.114 ( 7.885 0.096 -14.275) 16.308 13.139 ( 4.993 0.133 -0.439) 5.014 13.174 ( -0.255 1.743 0.786) 1.929 13.724 ( 2.019 0.232 1.147) 2.334 13.918 ( -4.842 2.405 -1.467) 5.602 ======================= Grid point 592 (290/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 1.156 -0.000 16.611) 16.651 2.833 ( -5.294 0.000 -3.418) 6.302 3.521 ( -6.207 0.000 8.167) 10.258 3.948 ( -0.101 0.000 -2.500) 2.502 4.650 ( -8.357 0.000 4.968) 9.722 4.992 ( -8.416 0.000 -5.627) 10.123 5.660 ( -0.545 0.000 -10.141) 10.155 6.331 ( 24.595 -0.000 17.767) 30.341 8.398 ( -2.115 0.000 -2.959) 3.637 8.468 ( 0.353 -0.000 -4.301) 4.315 10.862 ( 1.120 -0.000 5.955) 6.059 10.887 ( -0.659 0.000 -3.726) 3.784 11.607 ( -6.969 0.000 9.880) 12.090 12.254 ( 14.283 -0.000 -12.618) 19.058 13.064 ( -4.945 0.000 0.068) 4.946 13.182 ( -1.662 0.000 -1.160) 2.027 13.708 ( -4.478 0.000 -0.470) 4.502 13.867 ( 3.549 -0.000 3.609) 5.061 ======================= Grid point 593 (291/398) ======================= q-point: ( 0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -2.905 -2.356 -10.845) 11.471 2.932 ( 1.097 1.665 12.729) 12.884 3.501 ( -8.845 -4.352 7.816) 12.580 3.978 ( 3.532 -7.419 -9.582) 12.623 4.554 ( -10.749 4.388 8.117) 14.166 4.904 ( -6.913 -5.225 0.326) 8.672 5.652 ( 4.298 -3.811 -8.171) 9.988 6.746 ( 20.425 -0.928 14.608) 25.128 8.302 ( -2.867 5.758 -2.985) 7.091 8.394 ( -0.922 4.551 -4.939) 6.779 10.884 ( -0.115 -3.166 -1.505) 3.507 10.950 ( 1.816 -2.845 5.857) 6.760 11.620 ( -5.505 -1.659 10.506) 11.977 12.309 ( 12.804 1.882 -14.608) 19.516 13.010 ( -4.790 -0.954 -0.307) 4.894 13.159 ( -1.720 -1.033 -0.028) 2.006 13.658 ( -4.858 -1.364 -0.199) 5.050 13.957 ( 4.165 -1.687 4.099) 6.082 ======================= Grid point 594 (292/398) ======================= q-point: ( 0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 0.475 -4.008 -16.749) 17.229 2.985 ( 0.452 3.293 9.537) 10.100 3.584 ( -5.805 -10.984 7.107) 14.313 4.082 ( 7.432 -10.701 -16.081) 20.697 4.414 ( -10.506 6.593 10.749) 16.413 4.950 ( -6.765 -8.003 7.650) 12.974 5.718 ( 2.590 -6.172 -5.188) 8.469 7.073 ( 14.514 -0.504 10.876) 18.144 8.126 ( -2.366 10.007 -4.160) 11.093 8.246 ( -1.939 7.700 -5.704) 9.776 10.948 ( 0.140 -5.650 1.348) 5.811 11.065 ( 1.723 -4.527 4.191) 6.405 11.676 ( -4.023 -2.264 11.240) 12.151 12.276 ( 8.037 4.481 -15.695) 18.193 12.960 ( -4.088 -0.137 -0.902) 4.188 13.182 ( 1.267 -2.182 0.955) 2.698 13.631 ( -4.574 -3.506 0.122) 5.764 14.073 ( 3.953 -2.822 3.846) 6.195 ======================= Grid point 595 (293/398) ======================= q-point: ( 0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 3.866 -7.771 -14.812) 17.167 3.024 ( 2.963 2.481 6.695) 7.730 3.730 ( -3.784 -11.203 1.743) 11.953 4.177 ( 5.495 -0.459 -6.611) 8.608 4.273 ( -4.384 3.559 -0.947) 5.726 5.081 ( -9.417 -12.294 14.684) 21.341 5.809 ( -0.747 -8.698 -1.590) 8.874 7.283 ( 8.790 1.256 7.431) 11.578 7.911 ( -0.899 11.297 -5.582) 12.633 8.048 ( -2.365 9.231 -6.719) 11.660 11.060 ( -0.222 -6.730 4.196) 7.934 11.184 ( 1.515 -6.032 2.114) 6.569 11.744 ( -3.066 -1.211 10.492) 10.998 12.151 ( 3.655 6.184 -14.473) 16.158 12.897 ( -2.790 1.643 -1.389) 3.523 13.257 ( 4.083 -2.192 0.664) 4.681 13.652 ( -3.548 -5.761 0.778) 6.811 14.184 ( 2.883 -2.772 2.921) 4.953 ======================= Grid point 596 (294/398) ======================= q-point: ( 0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 4.844 -10.859 -8.599) 14.674 3.095 ( 7.238 2.645 4.853) 9.107 3.756 ( -4.959 0.458 -8.011) 9.433 4.104 ( -3.899 6.900 14.903) 16.879 4.251 ( 5.324 -2.495 -15.225) 16.321 5.277 ( -9.769 -14.526 15.228) 23.201 5.923 ( -3.373 -10.007 2.576) 10.870 7.372 ( 5.400 4.162 3.641) 7.730 7.713 ( -0.543 8.845 -5.490) 10.425 7.838 ( -1.545 8.095 -7.814) 11.357 11.188 ( -1.177 -6.515 6.105) 9.006 11.310 ( 1.543 -6.808 1.396) 7.118 11.789 ( -2.366 -0.208 7.379) 7.752 11.982 ( 1.539 7.215 -11.952) 14.046 12.835 ( -0.668 2.339 -0.989) 2.626 13.340 ( 4.860 -1.103 -0.192) 4.987 13.710 ( -2.404 -5.942 1.295) 6.540 14.263 ( 1.332 -1.911 1.866) 2.985 ======================= Grid point 597 (295/398) ======================= q-point: (-0.50 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 1.540 -5.324 -1.955) 5.877 3.202 ( 9.277 2.964 4.291) 10.642 3.532 ( -2.906 8.031 -7.616) 11.443 4.114 ( 1.020 3.394 -1.083) 3.706 4.226 ( -2.618 -1.956 3.328) 4.664 5.462 ( -8.096 -12.053 10.798) 18.094 6.024 ( -5.594 -5.292 7.130) 10.494 7.375 ( 7.095 5.558 -3.003) 9.500 7.562 ( -5.595 3.458 -1.527) 6.753 7.690 ( 1.878 3.042 -8.058) 8.815 11.307 ( -2.032 -5.940 6.597) 9.107 11.420 ( 0.411 -3.614 3.025) 4.731 11.804 ( 1.004 6.655 -8.644) 10.955 11.822 ( -0.376 -0.894 1.685) 1.944 12.806 ( 1.466 1.748 0.071) 2.282 13.396 ( 4.096 0.619 -1.138) 4.296 13.770 ( -1.359 -3.865 1.631) 4.410 14.299 ( -0.241 -0.716 0.984) 1.241 ======================= Grid point 598 (296/398) ======================= q-point: (-0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -5.742 15.243 6.518) 17.544 3.202 ( 2.772 0.378 -9.410) 9.817 3.583 ( 11.130 -5.531 5.906) 13.760 3.983 ( -3.890 11.353 4.256) 12.734 4.298 ( -0.857 -6.665 0.409) 6.732 5.574 ( -6.382 -6.544 6.423) 11.172 6.010 ( -7.702 6.211 11.123) 14.887 7.340 ( 2.808 3.529 -10.249) 11.197 7.480 ( -4.395 -2.387 4.551) 6.762 7.692 ( 5.309 -5.411 -7.693) 10.801 11.390 ( -2.116 -1.733 4.326) 5.118 11.456 ( -2.997 0.491 5.857) 6.598 11.649 ( 2.258 8.178 -5.007) 9.851 11.893 ( 2.008 -6.943 -3.590) 8.070 12.823 ( 2.976 0.439 1.357) 3.300 13.404 ( 2.722 2.377 -1.864) 4.066 13.806 ( -0.348 -0.757 1.880) 2.056 14.293 ( -1.575 0.694 0.190) 1.732 ======================= Grid point 599 (297/398) ======================= q-point: (-0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -7.019 19.580 11.846) 23.937 3.187 ( 3.847 -2.005 -9.516) 10.459 3.750 ( -5.559 10.939 8.686) 15.034 3.922 ( 8.460 -1.901 15.176) 17.479 4.390 ( 4.147 -8.413 -8.105) 12.396 5.583 ( -5.784 0.421 4.034) 7.064 5.841 ( -8.129 15.914 13.714) 22.525 7.176 ( -10.241 3.321 -5.064) 11.897 7.597 ( 5.245 -9.089 -0.578) 10.510 7.837 ( 6.388 -11.925 -7.358) 15.400 11.338 ( -2.450 7.297 1.777) 7.900 11.412 ( -2.084 4.333 -0.862) 4.884 11.605 ( -0.280 1.093 6.775) 6.868 11.991 ( 3.390 -7.670 -8.018) 11.602 12.889 ( 4.033 -1.400 2.776) 5.093 13.371 ( 1.450 3.580 -2.060) 4.377 13.812 ( 0.624 2.140 1.918) 2.941 14.243 ( -2.670 2.286 -0.678) 3.580 ======================= Grid point 600 (298/398) ======================= q-point: (-0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -3.508 14.288 18.742) 23.827 3.200 ( 3.680 -2.597 -7.353) 8.623 3.545 ( -11.269 13.955 16.066) 24.080 4.133 ( 7.899 2.797 7.318) 11.125 4.561 ( 11.181 -11.701 -7.681) 17.914 5.479 ( -7.694 9.108 8.168) 14.452 5.611 ( -4.891 16.723 10.862) 20.532 6.926 ( -15.734 4.279 -4.145) 16.824 7.823 ( 6.422 -12.911 -1.927) 14.548 8.045 ( 5.663 -13.786 -7.391) 16.636 11.186 ( -2.791 9.535 0.420) 9.944 11.306 ( -0.278 6.518 -2.126) 6.861 11.650 ( -3.951 -0.728 10.425) 11.172 12.059 ( 4.417 -5.229 -10.797) 12.784 12.999 ( 4.518 -2.813 3.251) 6.237 13.314 ( 0.493 3.849 -1.588) 4.193 13.795 ( 1.452 3.847 1.839) 4.504 14.152 ( -3.616 3.774 -1.597) 5.465 ======================= Grid point 601 (299/398) ======================= q-point: (-0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 0.628 6.338 23.351) 24.204 3.229 ( 3.505 -2.415 -10.514) 11.342 3.352 ( -12.865 11.501 24.895) 30.291 4.164 ( 6.718 6.489 -2.802) 9.751 4.822 ( 9.067 -8.535 -2.506) 12.703 5.299 ( -4.760 12.941 10.969) 17.620 5.444 ( 0.548 12.626 9.576) 15.856 6.603 ( -18.663 5.574 -5.841) 20.335 8.071 ( 5.171 -13.293 -2.053) 14.410 8.237 ( 3.987 -12.277 -7.426) 14.892 11.024 ( -2.301 9.037 1.002) 9.379 11.188 ( -0.684 6.371 -3.121) 7.127 11.677 ( -6.243 0.034 11.127) 12.759 12.090 ( 6.376 -2.470 -11.787) 13.627 13.113 ( 4.029 -2.277 2.023) 5.051 13.253 ( -0.558 3.294 -0.690) 3.412 13.776 ( 2.066 3.632 2.091) 4.672 14.026 ( -4.324 4.535 -2.267) 6.664 ======================= Grid point 602 (300/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 1.975 1.369 22.567) 22.695 3.104 ( -6.226 7.510 1.365) 9.850 3.377 ( -3.334 -2.000 15.276) 15.763 4.100 ( 4.412 7.648 -4.018) 9.701 4.867 ( -8.660 2.751 4.975) 10.359 5.193 ( 3.052 3.643 -8.033) 9.333 5.520 ( 16.433 6.879 21.223) 27.709 6.226 ( -18.450 6.514 -8.513) 21.337 8.280 ( 2.752 -10.830 -2.251) 11.399 8.373 ( 2.375 -8.952 -6.643) 11.398 10.899 ( -1.415 6.925 2.645) 7.547 11.063 ( -1.188 5.182 -4.245) 6.804 11.667 ( -7.634 1.043 10.750) 13.226 12.119 ( 9.414 -0.923 -11.719) 15.060 13.183 ( 2.362 -0.286 0.239) 2.391 13.195 ( -1.899 2.155 0.014) 2.872 13.781 ( 2.431 2.180 2.615) 4.183 13.891 ( -4.518 3.848 -2.207) 6.332 ======================= Grid point 605 (301/398) ======================= q-point: ( 0.17 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -0.685 0.000 -14.919) 14.934 3.069 ( 3.006 -0.000 10.892) 11.299 3.356 ( -13.363 0.000 5.538) 14.465 3.886 ( 5.189 -0.000 -13.442) 14.409 4.560 ( -9.428 0.000 11.913) 15.192 4.807 ( -3.713 0.000 5.008) 6.234 5.639 ( 6.311 -0.000 -7.547) 9.838 7.058 ( 14.960 -0.000 10.612) 18.342 8.287 ( -3.424 0.000 -1.959) 3.945 8.360 ( -2.755 0.000 -5.983) 6.587 10.862 ( 1.092 -0.000 0.234) 1.116 10.999 ( 2.092 -0.000 4.912) 5.339 11.635 ( -4.354 0.000 12.510) 13.246 12.340 ( 8.983 -0.000 -17.098) 19.314 12.951 ( -3.267 0.000 -0.309) 3.281 13.147 ( 1.588 -0.000 0.265) 1.610 13.586 ( -5.507 0.000 0.758) 5.559 14.029 ( 4.421 -0.000 3.564) 5.679 ======================= Grid point 606 (302/398) ======================= q-point: ( 0.25 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 2.979 -2.132 -16.579) 16.979 3.116 ( -0.032 4.834 8.244) 9.557 3.374 ( -6.688 -12.284 6.690) 15.505 3.900 ( 7.276 -7.449 -16.965) 19.906 4.513 ( -8.103 4.658 15.225) 17.865 4.853 ( -3.446 -3.387 7.745) 9.129 5.667 ( 4.134 -1.672 -5.720) 7.253 7.275 ( 8.336 -0.807 6.603) 10.665 8.183 ( -2.706 6.240 -3.247) 7.536 8.247 ( -3.702 3.524 -5.691) 7.649 10.913 ( 1.877 -2.926 2.527) 4.298 11.067 ( 1.445 -2.109 2.777) 3.774 11.701 ( -3.521 -1.277 13.953) 14.446 12.266 ( 3.489 1.951 -17.186) 17.644 12.920 ( -1.313 0.125 -0.618) 1.457 13.204 ( 6.197 -1.085 -0.635) 6.323 13.539 ( -5.300 -1.827 1.597) 5.829 14.117 ( 4.004 -1.486 2.459) 4.928 ======================= Grid point 607 (303/398) ======================= q-point: ( 0.33 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 6.607 -5.478 -11.936) 14.701 3.144 ( 2.737 1.191 7.231) 7.823 3.534 ( -3.075 -11.155 2.900) 11.929 4.005 ( 8.789 -11.727 -18.374) 23.502 4.456 ( -4.888 9.931 15.588) 19.119 4.927 ( -7.923 -7.290 11.644) 15.859 5.700 ( 0.610 -3.968 -2.964) 4.990 7.392 ( 1.988 -1.598 3.141) 4.046 8.005 ( -1.022 9.745 -6.407) 11.707 8.088 ( -3.222 7.290 -3.887) 8.867 11.020 ( 1.518 -4.672 4.664) 6.774 11.140 ( 1.168 -4.226 1.009) 4.499 11.780 ( -3.744 -0.821 13.057) 13.608 12.127 ( 0.771 2.997 -15.131) 15.444 12.898 ( 0.723 1.655 -0.905) 2.021 13.302 ( 8.071 -1.157 -2.191) 8.443 13.543 ( -3.978 -4.633 2.645) 6.655 14.199 ( 2.758 -2.124 0.991) 3.619 ======================= Grid point 608 (304/398) ======================= q-point: ( 0.42 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 7.438 -8.122 -5.063) 12.121 3.261 ( 9.184 0.043 6.005) 10.973 3.622 ( -3.357 -5.119 -2.148) 6.487 4.132 ( 9.139 -8.578 -17.696) 21.685 4.334 ( -4.155 14.256 14.277) 20.600 5.062 ( -11.201 -13.158 15.537) 23.238 5.767 ( -2.033 -8.296 0.739) 8.573 7.424 ( -3.467 -2.437 0.386) 4.256 7.794 ( 1.078 11.489 -8.434) 14.293 7.911 ( -1.371 9.374 -2.955) 9.924 11.139 ( -0.406 -5.187 5.473) 7.551 11.242 ( 1.908 -6.520 0.693) 6.829 11.822 ( -4.210 0.627 9.989) 10.858 11.981 ( 0.888 3.868 -12.035) 12.672 12.880 ( 2.660 2.950 -0.484) 4.002 13.391 ( 7.323 -0.616 -3.392) 8.094 13.609 ( -2.271 -6.351 3.387) 7.548 14.256 ( 1.009 -2.018 -0.264) 2.272 ======================= Grid point 609 (305/398) ======================= q-point: ( 0.50 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 5.176 -7.461 -0.750) 9.112 3.452 ( 12.748 3.115 7.737) 15.234 3.539 ( -1.413 4.326 -6.807) 8.188 4.160 ( 4.313 2.163 -7.313) 8.761 4.244 ( -3.229 3.669 8.507) 9.811 5.238 ( -11.019 -14.400 13.101) 22.370 5.897 ( -3.341 -10.534 5.155) 12.194 7.389 ( -8.853 -4.173 -2.200) 10.031 7.589 ( 5.098 12.269 -8.446) 15.743 7.757 ( 0.654 7.785 -2.926) 8.343 11.244 ( -1.801 -5.859 5.103) 7.976 11.367 ( 0.961 -6.642 1.154) 6.810 11.819 ( -3.026 1.374 5.208) 6.178 11.860 ( 2.300 4.923 -7.558) 9.309 12.876 ( 3.747 3.047 0.499) 4.855 13.442 ( 5.317 0.437 -4.173) 6.773 13.706 ( -0.854 -5.755 3.675) 6.881 14.278 ( -0.685 -1.505 -1.008) 1.937 ======================= Grid point 610 (306/398) ======================= q-point: (-0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -0.588 0.780 2.762) 2.929 3.276 ( -0.196 12.523 -5.733) 13.774 3.754 ( 17.213 -2.364 8.688) 19.426 4.111 ( 2.211 6.192 -1.743) 6.802 4.233 ( -4.691 -1.329 6.826) 8.389 5.387 ( -9.288 -12.434 7.450) 17.215 6.023 ( -4.478 -4.533 9.427) 11.379 7.265 ( -11.809 -0.611 -5.778) 13.161 7.492 ( 7.820 4.516 -5.099) 10.371 7.676 ( 2.536 1.968 -4.145) 5.242 11.337 ( -2.803 -5.524 4.607) 7.720 11.444 ( -1.898 -2.668 1.256) 3.507 11.763 ( 4.153 6.660 -3.462) 8.578 11.828 ( -0.411 -1.610 0.589) 1.763 12.896 ( 3.951 1.919 1.822) 4.755 13.444 ( 2.953 1.607 -4.489) 5.609 13.798 ( 0.259 -3.321 3.670) 4.956 14.267 ( -1.958 -0.583 -1.446) 2.503 ======================= Grid point 611 (307/398) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -6.548 14.451 9.379) 18.430 3.166 ( 5.236 1.445 -8.412) 10.013 3.910 ( -1.351 10.053 5.319) 11.454 4.160 ( 9.714 0.890 16.936) 19.544 4.287 ( 5.092 -7.159 -3.847) 9.591 5.464 ( -7.970 -7.651 2.176) 11.260 6.034 ( -5.064 7.009 13.345) 15.902 7.051 ( -12.236 3.184 -5.778) 13.901 7.552 ( 6.695 -4.311 -3.474) 8.688 7.713 ( 4.345 -6.796 -6.362) 10.273 11.388 ( -3.094 -2.198 2.878) 4.763 11.408 ( -3.572 3.906 1.343) 5.461 11.710 ( 3.365 5.935 1.182) 6.924 11.880 ( 2.119 -5.519 -4.060) 7.172 12.951 ( 3.704 -0.118 3.401) 5.030 13.404 ( 0.835 2.367 -4.206) 4.898 13.859 ( 1.140 -0.135 3.438) 3.625 14.222 ( -2.802 0.920 -1.910) 3.514 ======================= Grid point 612 (308/398) ======================= q-point: (-0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -4.410 11.909 14.510) 19.283 3.164 ( 4.719 -0.804 -8.447) 9.709 3.731 ( -8.528 13.679 13.206) 20.838 4.259 ( 3.322 -0.204 -2.512) 4.169 4.595 ( 16.812 -6.344 8.251) 19.773 5.434 ( -7.237 -1.705 -2.971) 8.007 5.932 ( -3.337 15.254 17.851) 23.717 6.781 ( -13.960 6.048 -5.280) 16.104 7.712 ( 5.891 -10.203 -3.051) 12.170 7.858 ( 4.558 -12.397 -7.575) 15.226 11.287 ( -3.253 8.076 1.687) 8.868 11.358 ( -2.151 3.413 -0.005) 4.035 11.695 ( -0.297 2.665 5.368) 6.000 11.959 ( 3.917 -6.110 -7.200) 10.223 13.040 ( 2.998 -2.013 4.311) 5.624 13.339 ( -0.859 2.473 -3.372) 4.269 13.884 ( 1.873 2.708 3.193) 4.587 14.140 ( -3.399 2.860 -2.473) 5.084 ======================= Grid point 613 (309/398) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -1.566 5.201 17.755) 18.567 3.161 ( 3.571 -1.204 -10.818) 11.456 3.551 ( -10.650 12.136 21.084) 26.557 4.260 ( 6.845 1.845 -10.478) 12.651 4.883 ( 6.548 -0.695 9.667) 11.696 5.302 ( -5.231 2.021 -8.320) 10.033 5.861 ( 4.971 14.930 22.438) 27.406 6.455 ( -14.154 8.801 -5.886) 17.676 7.921 ( 3.940 -12.996 -2.902) 13.887 8.037 ( 3.735 -13.262 -7.754) 15.810 11.141 ( -2.510 9.134 2.580) 9.817 11.250 ( -1.559 6.846 -1.877) 7.268 11.696 ( -3.605 1.289 7.645) 8.550 12.038 ( 6.357 -4.918 -8.978) 12.050 13.135 ( 1.647 -2.430 3.625) 4.665 13.264 ( -2.332 2.145 -2.229) 3.874 13.885 ( 2.528 4.217 3.304) 5.924 14.021 ( -3.821 4.515 -2.861) 6.571 ======================= Grid point 614 (310/398) ======================= q-point: (-0.08 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -0.308 0.498 17.459) 17.469 3.084 ( -0.413 2.707 -12.084) 12.390 3.489 ( -7.580 5.110 23.996) 25.679 4.211 ( 8.153 5.100 -13.168) 16.305 4.865 ( -11.581 6.861 8.375) 15.854 5.166 ( -1.299 2.042 -8.077) 8.432 6.015 ( 14.825 8.298 20.246) 26.430 6.112 ( -7.805 9.741 -5.514) 13.646 8.114 ( 0.854 -12.694 -3.366) 13.160 8.201 ( 2.940 -11.632 -6.648) 13.716 11.017 ( -1.282 8.015 3.950) 9.027 11.110 ( -1.435 7.369 -2.608) 7.948 11.681 ( -5.506 1.794 8.581) 10.352 12.122 ( 9.512 -3.640 -10.256) 14.454 13.179 ( -3.677 0.673 -0.473) 3.768 13.198 ( -0.263 0.073 1.107) 1.141 13.877 ( -2.247 4.315 -0.733) 4.920 13.892 ( 1.326 4.506 1.932) 5.079 ======================= Grid point 618 (311/398) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 6.495 -0.000 -12.819) 14.371 3.180 ( -10.613 0.000 12.835) 16.654 3.305 ( 6.790 -0.000 4.025) 7.894 3.808 ( 8.846 -0.000 -18.418) 20.432 4.546 ( -9.622 0.000 16.560) 19.152 4.882 ( -0.566 0.000 7.540) 7.562 5.662 ( 2.947 -0.000 -5.023) 5.824 7.356 ( 0.871 -0.000 1.683) 1.895 8.173 ( -3.320 0.000 -6.402) 7.212 8.185 ( -2.357 0.000 -1.598) 2.848 10.949 ( 2.999 -0.000 4.000) 4.999 11.080 ( 0.635 -0.000 1.232) 1.386 11.761 ( -3.854 0.000 14.984) 15.472 12.167 ( 0.029 -0.000 -16.181) 16.181 12.920 ( 1.561 -0.000 -0.473) 1.631 13.286 ( 9.880 -0.000 -3.073) 10.347 13.476 ( -5.222 0.000 2.942) 5.994 14.165 ( 3.510 -0.000 0.450) 3.538 ======================= Grid point 619 (312/398) ======================= q-point: ( 0.33 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 8.812 -2.673 -5.571) 10.763 3.212 ( -3.204 -2.960 14.361) 15.009 3.445 ( 5.475 -4.008 0.857) 6.839 3.837 ( 9.796 -7.507 -17.827) 21.682 4.575 ( -7.547 -0.626 17.514) 19.082 4.895 ( -3.870 2.490 6.953) 8.338 5.655 ( 0.597 -0.599 -3.381) 3.485 7.334 ( -6.015 -2.526 -2.881) 7.132 8.058 ( -0.789 5.465 -5.395) 7.720 8.119 ( -1.736 4.144 -1.753) 4.822 11.035 ( 2.249 -1.873 4.917) 5.722 11.108 ( 0.565 -2.529 0.406) 2.623 11.822 ( -5.093 -0.333 13.650) 14.573 12.042 ( 0.044 0.788 -13.556) 13.579 12.943 ( 3.630 1.130 -0.366) 3.819 13.381 ( 9.872 0.144 -5.005) 11.069 13.467 ( -3.427 -2.932 4.096) 6.093 14.205 ( 2.222 -1.136 -1.606) 2.968 ======================= Grid point 620 (313/398) ======================= q-point: ( 0.42 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 8.052 -4.838 0.749) 9.423 3.398 ( 5.318 -5.173 13.966) 15.814 3.536 ( 3.042 -1.970 -2.719) 4.530 3.974 ( 11.031 -11.207 -16.698) 22.937 4.579 ( -4.373 10.554 13.281) 17.519 4.886 ( -10.110 -7.065 11.850) 17.104 5.659 ( -1.354 -3.831 -0.585) 4.105 7.249 ( -10.786 -5.176 -5.810) 13.300 7.920 ( 2.269 9.268 -5.286) 10.908 8.002 ( -0.903 7.670 -1.856) 7.943 11.111 ( -0.665 -2.958 3.739) 4.813 11.185 ( 1.405 -5.236 1.044) 5.521 11.848 ( -6.074 0.416 11.062) 12.627 11.951 ( 2.788 1.493 -9.936) 10.427 12.966 ( 4.534 2.581 -0.017) 5.217 13.443 ( 6.909 -0.116 -5.158) 8.623 13.536 ( -0.354 -4.973 3.827) 6.285 14.225 ( 0.422 -1.811 -2.945) 3.483 ======================= Grid point 621 (314/398) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 5.772 -5.072 3.453) 8.424 3.516 ( -2.156 1.907 -2.910) 4.093 3.693 ( 14.885 -3.829 10.407) 18.561 4.129 ( 11.113 -6.747 -14.675) 19.605 4.396 ( -6.798 13.938 10.174) 18.547 5.013 ( -11.229 -11.993 14.707) 22.051 5.747 ( -1.798 -9.954 3.632) 10.748 7.133 ( -13.298 -6.534 -6.986) 16.381 7.775 ( 4.986 11.145 -5.602) 13.434 7.860 ( 0.069 8.717 -2.446) 9.054 11.176 ( -1.995 -4.772 3.398) 6.188 11.284 ( 0.001 -6.348 0.012) 6.348 11.837 ( -5.723 1.069 8.381) 10.205 11.914 ( 6.077 3.119 -6.029) 9.110 12.981 ( 4.292 3.324 0.751) 5.480 13.472 ( 5.078 0.488 -6.566) 8.314 13.649 ( 0.206 -6.055 4.846) 7.758 14.223 ( -1.231 -2.117 -3.309) 4.117 ======================= Grid point 622 (315/398) ======================= q-point: (-0.42 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 2.025 -1.471 4.062) 4.771 3.375 ( -1.647 8.714 -5.371) 10.369 4.019 ( 15.538 -3.081 7.302) 17.442 4.173 ( 2.378 2.443 -2.944) 4.504 4.276 ( 0.561 4.346 7.657) 8.822 5.143 ( -10.853 -12.049 9.699) 18.895 5.937 ( -1.246 -11.269 8.298) 14.050 7.000 ( -14.268 -6.183 -7.038) 17.068 7.652 ( 6.722 9.489 -5.538) 12.880 7.732 ( 1.485 6.629 -3.882) 7.824 11.247 ( -3.138 -5.781 3.363) 7.387 11.361 ( -1.106 -5.791 -0.923) 5.968 11.815 ( -4.081 0.948 5.838) 7.186 11.904 ( 7.426 5.285 -3.472) 9.754 12.994 ( 3.457 2.786 2.124) 4.922 13.452 ( 2.281 1.171 -6.894) 7.356 13.777 ( 0.960 -5.147 5.016) 7.251 14.205 ( -2.300 -1.884 -3.139) 4.323 ======================= Grid point 623 (316/398) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -5.239 7.522 6.991) 11.529 3.221 ( 3.717 5.754 -6.934) 9.747 4.081 ( 2.303 9.637 0.659) 9.931 4.178 ( -5.045 -4.452 2.336) 7.123 4.485 ( 18.480 -1.383 14.032) 23.245 5.232 ( -9.335 -10.937 2.183) 14.544 6.119 ( -0.662 -3.580 12.203) 12.735 6.842 ( -14.232 -3.359 -6.145) 15.862 7.599 ( 6.010 3.291 -4.618) 8.263 7.668 ( 4.138 0.852 -6.438) 7.701 11.309 ( -3.779 -5.026 3.221) 7.065 11.396 ( -2.134 -1.914 0.061) 2.867 11.805 ( -1.167 0.051 2.081) 2.386 11.885 ( 5.949 5.753 -2.204) 8.564 13.026 ( 2.452 1.078 3.935) 4.761 13.393 ( -0.386 1.442 -6.243) 6.419 13.887 ( 1.602 -2.628 4.625) 5.555 14.170 ( -2.807 -0.807 -2.970) 4.166 ======================= Grid point 624 (317/398) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -6.152 8.752 10.533) 15.013 3.171 ( 4.878 2.343 -7.861) 9.544 3.931 ( -4.251 13.425 8.802) 16.607 4.208 ( -0.298 -4.726 -3.638) 5.972 4.842 ( 15.284 -2.124 13.384) 20.426 5.240 ( -7.859 -6.600 -5.528) 11.657 6.205 ( 1.304 6.300 15.811) 17.070 6.643 ( -13.048 1.997 -4.549) 13.962 7.636 ( 3.580 -5.068 -4.623) 7.738 7.720 ( 6.375 -6.318 -7.659) 11.799 11.333 ( -3.561 -0.113 3.103) 4.725 11.360 ( -3.116 2.443 1.756) 4.332 11.796 ( 2.091 4.672 0.564) 5.149 11.885 ( 2.954 -2.634 -3.673) 5.399 13.083 ( 1.188 -0.755 5.250) 5.436 13.311 ( -2.408 1.264 -5.133) 5.809 13.961 ( 2.140 0.383 4.203) 4.731 14.109 ( -3.025 1.180 -2.976) 4.404 ======================= Grid point 625 (318/398) ======================= q-point: (-0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -3.857 3.755 12.859) 13.940 3.128 ( 3.685 1.974 -10.188) 11.013 3.765 ( -6.936 12.652 16.345) 21.802 4.235 ( 3.729 -3.012 -9.903) 11.003 5.019 ( -4.695 2.144 3.879) 6.456 5.194 ( 2.642 -1.067 -3.121) 4.226 6.271 ( 7.667 8.525 18.416) 21.693 6.395 ( -10.246 7.846 -3.377) 13.340 7.751 ( 1.719 -11.136 -5.316) 12.459 7.863 ( 5.778 -10.312 -7.169) 13.825 11.250 ( -3.067 7.204 3.735) 8.675 11.305 ( -2.453 4.131 1.293) 4.976 11.750 ( -0.541 4.250 3.011) 5.236 11.965 ( 5.042 -6.595 -6.782) 10.720 13.144 ( -1.217 -1.484 4.510) 4.901 13.226 ( -2.953 0.806 -3.210) 4.435 13.994 ( 1.303 3.041 2.772) 4.316 14.018 ( -1.829 3.318 -1.645) 4.131 ======================= Grid point 626 (319/398) ======================= q-point: (-0.08 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -1.760 -0.569 12.483) 12.619 3.030 ( 1.187 3.783 -13.148) 13.733 3.680 ( -5.720 8.196 20.976) 23.235 4.225 ( 5.593 -0.503 -14.220) 15.289 4.821 ( -11.462 4.696 -7.582) 14.523 5.196 ( -1.630 6.754 7.179) 9.991 6.119 ( -6.830 11.400 -3.180) 13.664 6.474 ( 16.006 4.021 17.288) 23.901 7.895 ( -0.124 -13.078 -5.544) 14.205 8.027 ( 3.775 -11.266 -6.432) 13.511 11.140 ( -2.186 7.446 3.956) 8.711 11.199 ( -1.045 8.029 1.024) 8.161 11.713 ( -3.186 2.544 5.788) 7.080 12.080 ( 7.810 -6.824 -9.453) 14.033 13.115 ( -5.740 -0.328 -1.606) 5.969 13.207 ( -0.680 0.200 2.769) 2.858 13.885 ( -3.466 5.144 -2.433) 6.663 14.020 ( 3.243 3.907 4.228) 6.607 ======================= Grid point 631 (320/398) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 7.742 -0.000 1.726) 7.932 3.281 ( -1.010 0.000 20.754) 20.778 3.513 ( 8.230 -0.000 -2.992) 8.757 3.779 ( 11.491 -0.000 -16.066) 19.752 4.596 ( -7.304 0.000 17.215) 18.701 4.922 ( -4.701 0.000 4.246) 6.334 5.631 ( -0.230 0.000 -2.709) 2.719 7.157 ( -11.789 0.000 -7.611) 14.032 8.058 ( 0.166 -0.000 -3.503) 3.507 8.123 ( -0.559 0.000 -1.877) 1.958 11.086 ( 1.305 -0.000 4.308) 4.502 11.091 ( -0.107 0.000 0.125) 0.164 11.850 ( -6.481 0.000 12.665) 14.227 11.967 ( 2.625 -0.000 -10.157) 10.491 13.003 ( 4.556 -0.000 -0.044) 4.557 13.441 ( -2.725 0.000 5.827) 6.432 13.464 ( 10.152 -0.000 -7.716) 12.752 14.195 ( 1.030 -0.000 -4.041) 4.170 ======================= Grid point 632 (321/398) ======================= q-point: ( 0.42 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 4.489 -2.805 6.543) 8.416 3.494 ( 2.360 -1.593 16.285) 16.532 3.581 ( 7.951 -2.885 -0.245) 8.461 3.878 ( 14.514 -6.193 -13.220) 20.585 4.682 ( -5.174 -3.247 16.456) 17.553 4.822 ( -8.516 5.125 3.170) 10.432 5.609 ( -1.040 -0.618 -1.011) 1.576 6.953 ( -14.792 -4.576 -9.940) 18.399 8.011 ( 1.756 4.504 -3.259) 5.831 8.071 ( 0.064 4.588 -2.264) 5.116 11.093 ( -0.856 -0.907 1.443) 1.907 11.140 ( -0.520 -3.270 1.367) 3.582 11.856 ( -7.095 0.309 11.098) 13.176 11.959 ( 6.563 0.484 -6.053) 8.941 13.048 ( 3.804 1.089 0.175) 3.960 13.474 ( 2.016 -0.432 1.388) 2.485 13.523 ( 5.229 -1.894 -4.013) 6.858 14.170 ( -0.595 -1.207 -5.303) 5.471 ======================= Grid point 633 (322/398) ======================= q-point: ( 0.50 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 2.842 -4.528 7.950) 9.580 3.506 ( -0.515 1.924 -3.108) 3.691 3.868 ( 8.640 -5.916 14.730) 18.072 4.075 ( 15.913 -7.335 -11.576) 21.001 4.570 ( -6.535 12.696 4.359) 14.930 4.863 ( -7.509 -8.443 14.920) 18.716 5.640 ( -0.773 -5.910 2.733) 6.557 6.777 ( -15.836 -8.279 -10.360) 20.655 7.925 ( 2.760 7.825 -3.335) 8.942 7.967 ( 1.545 7.813 -3.552) 8.721 11.116 ( -2.140 -2.911 2.078) 4.168 11.193 ( -0.944 -5.049 -0.501) 5.161 11.843 ( -6.660 0.756 9.864) 11.926 12.006 ( 8.894 1.905 -3.626) 9.792 13.070 ( 2.616 1.809 0.805) 3.281 13.482 ( 4.136 1.052 -8.285) 9.319 13.618 ( 1.335 -4.937 5.167) 7.270 14.138 ( -1.972 -2.339 -5.200) 6.033 ======================= Grid point 634 (323/398) ======================= q-point: ( 0.58 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 1.380 -2.171 7.376) 7.812 3.412 ( -1.341 4.907 -5.115) 7.214 4.058 ( -6.916 -3.432 8.512) 11.492 4.234 ( 12.211 -0.060 -10.612) 16.178 4.496 ( 11.134 3.159 10.311) 15.501 4.962 ( -9.622 -6.072 10.853) 15.723 5.827 ( 1.657 -12.731 8.646) 15.478 6.634 ( -15.854 -9.753 -9.503) 20.899 7.806 ( 1.314 8.943 -2.722) 9.440 7.849 ( 5.475 8.982 -6.096) 12.157 11.157 ( -2.868 -4.647 2.605) 6.050 11.254 ( -0.848 -5.946 -1.216) 6.128 11.825 ( -5.715 1.021 8.561) 10.344 12.049 ( 8.990 4.280 -3.476) 10.546 13.079 ( 1.498 1.913 2.224) 3.294 13.429 ( 1.163 1.245 -8.908) 9.069 13.758 ( 1.577 -5.533 6.073) 8.365 14.109 ( -2.666 -2.956 -4.511) 6.017 ======================= Grid point 635 (324/398) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( -4.024 5.390 7.063) 9.753 3.288 ( 1.881 5.152 -5.865) 8.030 4.032 ( -11.200 -6.042 5.441) 13.840 4.251 ( 7.718 7.457 -4.632) 11.689 4.776 ( 15.637 -2.544 11.279) 19.447 4.992 ( -9.105 -7.934 2.167) 12.269 6.129 ( 4.340 -10.726 12.821) 17.270 6.513 ( -15.355 -9.444 -7.193) 19.409 7.676 ( 0.978 6.947 -3.998) 8.074 7.761 ( 7.762 7.319 -7.048) 12.786 11.216 ( -2.929 -5.371 3.369) 6.984 11.316 ( -1.180 -5.263 -0.741) 5.445 11.805 ( -4.268 0.738 5.765) 7.211 12.043 ( 7.375 6.846 -4.039) 10.844 13.093 ( 0.373 1.067 4.199) 4.349 13.344 ( -1.622 1.163 -7.555) 7.814 13.897 ( 1.874 -4.386 5.629) 7.378 14.084 ( -2.778 -2.622 -3.878) 5.443 ======================= Grid point 636 (325/398) ======================= q-point: (-0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -6.590 7.539 7.979) 12.803 3.222 ( 4.005 4.178 -5.861) 8.237 4.058 ( -6.157 -7.388 1.669) 9.761 4.146 ( -0.415 11.352 3.185) 11.798 4.969 ( -6.154 -5.103 -5.563) 9.740 5.091 ( 11.038 -5.160 7.669) 14.397 6.376 ( -2.185 -3.252 7.927) 8.842 6.435 ( -5.041 -5.899 3.688) 8.591 7.589 ( 1.441 1.252 -6.178) 6.466 7.734 ( 8.112 2.313 -7.073) 11.009 11.282 ( -2.806 -4.296 4.238) 6.655 11.350 ( -2.298 -1.492 1.516) 3.132 11.799 ( -1.483 -1.832 1.035) 2.574 11.976 ( 4.870 8.367 -4.024) 10.484 13.120 ( -1.453 -0.171 5.153) 5.357 13.248 ( -2.893 0.867 -5.373) 6.164 14.010 ( 2.121 -2.063 4.950) 5.767 14.050 ( -2.637 -1.122 -3.365) 4.420 ======================= Grid point 637 (326/398) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -4.569 3.487 9.494) 11.098 3.154 ( 3.609 5.064 -7.757) 9.942 3.980 ( -4.314 11.892 10.421) 16.390 4.114 ( -3.188 -7.052 -3.902) 8.668 4.853 ( -6.751 -1.582 -14.994) 16.519 5.312 ( 5.520 -0.535 9.368) 10.886 6.309 ( -10.189 -0.936 0.684) 10.255 6.594 ( 9.093 3.619 14.399) 17.410 7.591 ( 1.626 -6.187 -7.386) 9.771 7.786 ( 6.762 -3.767 -6.921) 10.383 11.316 ( -3.401 2.327 3.652) 5.506 11.325 ( -2.331 0.757 5.081) 5.642 11.830 ( 1.523 0.666 -1.839) 2.479 11.895 ( 2.801 0.850 -4.599) 5.452 13.097 ( -5.987 -0.455 -1.242) 6.131 13.208 ( -0.380 -0.039 2.655) 2.682 13.990 ( -2.625 1.478 -2.953) 4.218 14.088 ( 2.414 0.350 4.507) 5.125 ======================= Grid point 638 (327/398) ======================= q-point: (-0.08 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( -1.488 -0.424 9.199) 9.328 3.034 ( 2.286 7.090 -10.893) 13.196 3.883 ( -4.495 7.614 16.120) 18.386 4.115 ( -2.413 -4.519 -8.846) 10.222 4.646 ( -4.876 1.014 -18.592) 19.247 5.365 ( -2.127 7.466 12.051) 14.335 6.169 ( -6.455 6.961 1.019) 9.548 6.796 ( 12.120 0.736 12.653) 17.537 7.677 ( 0.906 -10.689 -6.841) 12.723 7.884 ( 4.080 -7.657 -7.122) 11.225 11.237 ( -3.082 6.224 4.574) 8.316 11.307 ( -0.914 4.905 4.303) 6.588 11.768 ( -0.705 4.628 1.897) 5.051 11.977 ( 4.906 -8.556 -8.485) 13.010 13.010 ( -6.481 -1.056 -2.474) 7.017 13.233 ( -0.268 0.474 4.047) 4.083 13.896 ( -2.768 4.064 -2.230) 5.399 14.134 ( 2.668 2.184 4.273) 5.491 ======================= Grid point 644 (328/398) ======================= q-point: ( 0.42 0.42 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -0.072 0.000 10.731) 10.731 3.536 ( 1.694 -0.000 -8.746) 8.908 3.757 ( 7.432 -0.000 24.929) 26.014 3.961 ( 18.356 -0.000 -9.332) 20.592 4.709 ( -4.332 0.000 15.252) 15.855 4.777 ( -8.383 0.000 0.648) 8.408 5.591 ( -0.576 0.000 -0.348) 0.673 6.630 ( -16.956 0.000 -12.455) 21.039 8.044 ( 2.467 -0.000 -3.001) 3.885 8.089 ( 0.373 -0.000 -2.516) 2.544 11.089 ( -0.248 0.000 0.166) 0.298 11.103 ( -2.603 0.000 1.223) 2.876 11.855 ( -7.491 0.000 11.329) 13.582 12.029 ( 9.618 -0.000 -3.527) 10.244 13.091 ( 1.762 -0.000 0.463) 1.822 13.516 ( 5.763 -0.000 -11.591) 12.945 13.529 ( 1.064 -0.000 7.570) 7.644 14.099 ( -1.831 0.000 -6.265) 6.528 ======================= Grid point 645 (329/398) ======================= q-point: ( 0.50 0.42 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( -1.590 -4.091 12.079) 12.852 3.475 ( -0.820 0.104 -7.697) 7.741 3.994 ( -0.213 -0.189 16.567) 16.570 4.155 ( 17.970 -2.667 -6.506) 19.297 4.666 ( -1.436 5.411 3.388) 6.544 4.814 ( -3.896 -4.871 13.510) 14.881 5.604 ( 0.769 -2.045 2.631) 3.420 6.366 ( -17.364 -6.959 -13.089) 22.831 8.021 ( 2.175 4.834 -2.733) 5.964 8.049 ( 2.370 3.761 -3.828) 5.866 11.076 ( -2.136 -0.772 1.365) 2.649 11.116 ( -0.951 -3.305 -0.251) 3.448 11.847 ( -7.311 0.447 11.178) 13.364 12.123 ( 10.454 1.157 -3.317) 11.029 13.107 ( 0.283 0.161 1.180) 1.224 13.466 ( 2.680 1.106 -11.701) 12.055 13.628 ( 1.869 -2.801 7.139) 7.893 14.035 ( -2.705 -1.653 -5.850) 6.654 ======================= Grid point 646 (330/398) ======================= q-point: (-0.42 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( -1.338 -4.959 11.030) 12.168 3.391 ( -2.320 1.121 -6.787) 7.260 3.961 ( -16.199 1.591 8.792) 18.500 4.333 ( 17.835 -0.132 -9.755) 20.329 4.727 ( 7.294 0.754 10.552) 12.850 4.895 ( -4.451 -1.154 7.235) 8.572 5.770 ( 4.855 -10.483 10.224) 15.427 6.197 ( -16.146 -11.528 -11.580) 22.971 7.920 ( 0.967 8.257 -2.783) 8.767 7.989 ( 5.522 6.699 -5.497) 10.275 11.091 ( -2.090 -2.914 2.352) 4.288 11.160 ( -0.631 -4.678 -0.664) 4.767 11.832 ( -7.025 0.815 10.103) 12.332 12.187 ( 9.662 3.251 -4.979) 11.346 13.116 ( -0.743 0.192 2.572) 2.684 13.378 ( -0.292 1.115 -10.216) 10.281 13.758 ( 1.884 -4.346 7.012) 8.462 13.992 ( -2.937 -3.116 -5.120) 6.675 ======================= Grid point 647 (331/398) ======================= q-point: (-0.33 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( -4.494 3.131 7.073) 8.946 3.307 ( 0.088 0.492 -4.498) 4.526 3.824 ( -16.743 -5.118 8.067) 19.277 4.420 ( 11.919 6.135 -8.057) 15.641 4.819 ( -6.352 -2.966 0.980) 7.078 4.967 ( 7.857 -2.810 7.695) 11.350 6.088 ( -12.420 -14.540 -3.181) 19.386 6.158 ( 6.492 -11.487 10.299) 16.739 7.778 ( 1.188 9.569 -3.996) 10.438 7.913 ( 6.922 7.916 -6.459) 12.340 11.142 ( -1.844 -4.469 3.449) 5.938 11.223 ( -0.441 -5.468 -0.291) 5.494 11.802 ( -6.656 0.987 7.430) 10.024 12.187 ( 7.963 5.708 -6.729) 11.886 13.123 ( -2.041 0.106 4.150) 4.626 13.277 ( -2.336 1.044 -7.211) 7.651 13.901 ( 1.846 -4.786 6.495) 8.276 13.970 ( -2.672 -3.819 -4.507) 6.483 ======================= Grid point 648 (332/398) ======================= q-point: (-0.25 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -7.497 6.201 4.527) 10.732 3.290 ( 2.815 3.096 -1.962) 4.622 3.834 ( -11.830 -11.390 6.911) 17.817 4.312 ( -1.529 10.561 -2.428) 10.944 4.780 ( -0.015 -2.382 -11.604) 11.846 5.188 ( 5.673 -6.524 8.268) 11.962 6.070 ( -13.956 -13.403 -1.553) 19.412 6.545 ( 10.643 -7.909 14.838) 19.900 7.627 ( 1.621 7.957 -6.101) 10.157 7.845 ( 7.402 6.514 -6.903) 12.037 11.219 ( -1.843 -4.971 4.500) 6.954 11.296 ( -0.633 -4.633 1.433) 4.891 11.761 ( -5.206 -0.241 3.173) 6.102 12.120 ( 5.895 8.017 -7.052) 12.197 13.100 ( -5.402 0.573 0.328) 5.442 13.209 ( -1.243 0.102 0.252) 1.272 13.959 ( -2.301 -3.239 -3.920) 5.582 14.034 ( 1.869 -3.820 5.738) 7.142 ======================= Grid point 649 (333/398) ======================= q-point: (-0.17 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -5.813 2.134 5.881) 8.540 3.242 ( 3.519 6.552 -2.939) 7.996 3.905 ( -9.394 -9.507 2.251) 13.553 4.112 ( -6.347 7.028 1.251) 9.552 4.675 ( 0.286 2.185 -16.824) 16.968 5.396 ( 2.970 -5.016 8.368) 10.198 6.105 ( -11.260 -11.221 4.066) 16.408 6.839 ( 9.839 -0.270 12.699) 16.067 7.521 ( 2.337 1.706 -8.091) 8.593 7.810 ( 6.563 2.799 -7.061) 10.038 11.299 ( -2.066 -3.657 5.455) 6.885 11.344 ( -1.943 -0.597 4.463) 4.904 11.752 ( -1.615 -4.660 -2.312) 5.447 12.004 ( 3.881 9.311 -5.741) 11.607 13.000 ( -6.625 0.551 -2.500) 7.103 13.229 ( -0.617 -0.655 4.676) 4.762 13.938 ( -2.141 -1.284 -3.225) 4.078 14.140 ( 1.859 -1.933 4.907) 5.592 ======================= Grid point 650 (334/398) ======================= q-point: (-0.08 -0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -2.687 -2.318 6.518) 7.421 3.134 ( 4.047 10.748 -5.898) 12.911 3.853 ( -12.001 -5.429 -2.036) 13.329 4.052 ( -1.059 0.401 3.404) 3.588 4.490 ( -1.439 3.576 -15.740) 16.205 5.504 ( -1.237 2.167 10.115) 10.419 6.137 ( -8.172 -3.407 5.669) 10.513 7.015 ( 8.975 1.530 8.435) 12.412 7.525 ( 2.662 -5.761 -7.179) 9.582 7.813 ( 4.108 -1.402 -7.469) 8.639 11.314 ( -3.104 3.949 6.604) 8.298 11.363 ( -1.363 -0.388 5.128) 5.321 11.812 ( 1.324 -6.180 -5.300) 8.248 11.884 ( 2.220 5.453 -4.218) 7.243 12.902 ( -5.772 -0.501 -2.159) 6.183 13.269 ( 0.139 -0.201 4.312) 4.319 13.889 ( -2.179 1.463 -2.202) 3.426 14.210 ( 1.748 0.016 4.110) 4.466 ======================= Grid point 657 (335/398) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( -4.279 0.000 14.516) 15.133 3.388 ( -2.394 0.000 -8.613) 8.940 4.019 ( -14.538 0.000 10.268) 17.798 4.330 ( 19.996 -0.000 -6.040) 20.888 4.802 ( 8.207 -0.000 8.471) 11.794 4.816 ( -4.503 0.000 11.228) 12.097 5.646 ( 4.437 -0.000 4.808) 6.543 5.982 ( -17.915 0.000 -14.007) 22.741 8.061 ( 0.958 -0.000 -3.121) 3.265 8.081 ( 4.640 -0.000 -3.836) 6.021 11.057 ( -1.956 0.000 1.287) 2.341 11.082 ( -0.455 0.000 0.276) 0.532 11.845 ( -7.797 0.000 11.429) 13.835 12.233 ( 10.498 -0.000 -4.936) 11.601 13.113 ( -1.166 0.000 2.119) 2.418 13.397 ( 0.207 -0.000 -12.221) 12.222 13.692 ( 1.978 -0.000 7.676) 7.927 13.942 ( -3.049 0.000 -5.526) 6.311 ======================= Grid point 658 (336/398) ======================= q-point: (-0.42 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -4.797 -5.235 14.467) 16.116 3.287 ( -4.649 -0.772 -7.869) 9.173 3.834 ( -19.280 2.769 5.926) 20.359 4.515 ( 18.736 1.525 -6.985) 20.054 4.816 ( -5.841 1.070 7.457) 9.533 4.957 ( 5.724 1.308 4.935) 7.670 5.724 ( -13.681 -8.173 -7.006) 17.408 5.854 ( 7.949 -7.682 8.173) 13.748 8.012 ( 1.434 5.221 -3.151) 6.264 8.088 ( 5.565 3.338 -4.862) 8.109 11.058 ( -1.225 -1.306 2.103) 2.762 11.100 ( -0.322 -2.593 0.408) 2.645 11.825 ( -8.368 0.486 10.090) 13.117 12.296 ( 9.556 1.933 -7.725) 12.439 13.117 ( -2.147 -0.384 3.582) 4.194 13.297 ( -1.917 0.292 -9.484) 9.680 13.790 ( 1.659 -2.271 7.509) 8.019 13.878 ( -2.872 -1.973 -5.186) 6.248 ======================= Grid point 659 (337/398) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -5.964 0.807 3.933) 7.189 3.210 ( -5.558 -7.520 1.830) 9.528 3.629 ( -17.114 -0.700 7.075) 18.532 4.563 ( 4.783 6.776 -12.346) 14.873 4.767 ( 2.272 1.106 -0.637) 2.606 5.042 ( 1.870 -1.988 7.395) 7.882 5.662 ( -13.745 -13.663 -5.303) 20.093 6.240 ( 13.505 -11.105 15.431) 23.320 7.903 ( 1.814 9.021 -3.720) 9.925 8.050 ( 6.409 6.316 -5.927) 10.775 11.096 ( -0.959 -3.121 3.039) 4.461 11.153 ( 0.184 -4.222 0.843) 4.310 11.777 ( -8.791 0.767 7.350) 11.484 12.294 ( 8.240 4.108 -9.828) 13.467 13.115 ( -3.943 0.246 3.402) 5.214 13.208 ( -2.570 -0.205 -4.183) 4.914 13.848 ( -2.292 -3.675 -4.894) 6.535 13.911 ( 1.443 -3.931 7.110) 8.252 ======================= Grid point 660 (338/398) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -10.142 3.079 -1.055) 10.651 3.322 ( -0.151 -3.415 4.511) 5.660 3.578 ( -14.260 -10.217 10.468) 20.429 4.318 ( -7.469 7.337 -13.309) 16.934 4.787 ( 9.649 4.890 -9.074) 14.119 5.184 ( -0.251 -7.181 9.576) 11.972 5.686 ( -12.590 -15.514 0.365) 19.983 6.677 ( 12.580 -9.687 14.657) 21.608 7.747 ( 2.132 11.117 -5.257) 12.481 7.983 ( 6.784 7.545 -6.581) 12.094 11.166 ( -1.116 -4.516 3.791) 6.001 11.237 ( 0.612 -5.144 1.959) 5.539 11.706 ( -8.214 0.246 4.065) 9.168 12.236 ( 6.914 6.284 -9.885) 13.602 13.039 ( -6.018 1.907 -1.181) 6.423 13.199 ( -1.829 -1.492 3.538) 4.253 13.846 ( -1.752 -4.352 -4.356) 6.402 14.041 ( 1.309 -4.361 6.320) 7.789 ======================= Grid point 661 (339/398) ======================= q-point: (-0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -9.601 -1.316 1.460) 9.801 3.352 ( 1.798 2.963 2.332) 4.178 3.676 ( -10.666 -10.708 8.803) 17.490 4.021 ( -9.367 3.229 -12.610) 16.037 4.697 ( 5.898 9.243 -12.031) 16.277 5.376 ( -0.287 -9.114 9.315) 13.035 5.798 ( -11.117 -16.668 6.111) 20.946 7.025 ( 9.984 -4.407 12.233) 16.394 7.574 ( 2.604 9.526 -7.491) 12.395 7.906 ( 6.190 6.934 -7.026) 11.652 11.251 ( -1.474 -5.138 4.368) 6.903 11.333 ( -0.105 -3.737 4.297) 5.696 11.646 ( -5.624 -2.358 -0.030) 6.099 12.137 ( 5.574 8.468 -8.261) 13.077 12.923 ( -5.838 1.910 -1.581) 6.343 13.237 ( -1.266 -1.847 4.758) 5.259 13.853 ( -1.572 -3.533 -3.489) 5.208 14.157 ( 1.071 -3.482 5.170) 6.324 ======================= Grid point 662 (340/398) ======================= q-point: (-0.08 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( -7.218 -6.819 3.631) 10.572 3.326 ( 4.697 9.299 1.145) 10.481 3.617 ( -9.464 -0.598 -7.879) 12.329 3.936 ( -6.862 -10.851 0.803) 12.864 4.512 ( 1.539 10.688 -8.787) 13.922 5.545 ( -0.967 -4.581 8.459) 9.668 5.953 ( -9.938 -13.839 9.101) 19.316 7.218 ( 7.724 4.020 7.225) 11.315 7.468 ( 2.927 0.290 -6.959) 7.555 7.830 ( 4.179 4.850 -7.608) 9.944 11.338 ( -1.605 -4.553 4.759) 6.779 11.382 ( -2.404 1.512 7.486) 8.007 11.654 ( -1.303 -7.698 -5.157) 9.356 12.011 ( 4.064 9.645 -5.855) 11.992 12.830 ( -3.984 0.793 -1.078) 4.202 13.289 ( 0.052 -1.709 3.736) 4.109 13.848 ( -1.602 -1.480 -2.207) 3.103 14.242 ( 0.680 -1.914 3.869) 4.370 ======================= Grid point 670 (341/398) ======================= q-point: (-0.42 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -8.723 0.000 16.646) 18.793 3.150 ( -6.893 0.000 -7.946) 10.519 3.654 ( -18.403 0.000 4.106) 18.856 4.667 ( 11.534 -0.000 -13.521) 17.772 4.788 ( -5.445 0.000 6.773) 8.690 5.064 ( 4.054 -0.000 1.036) 4.184 5.415 ( -12.867 0.000 -3.536) 13.344 6.051 ( 14.439 -0.000 14.717) 20.617 8.046 ( 1.911 -0.000 -3.200) 3.727 8.146 ( 5.983 -0.000 -5.016) 7.808 11.053 ( -0.530 0.000 1.794) 1.871 11.088 ( -0.018 0.000 1.643) 1.643 11.790 ( -9.674 0.000 8.510) 12.884 12.354 ( 9.039 -0.000 -10.723) 14.025 13.115 ( -2.996 0.000 5.132) 5.943 13.203 ( -3.192 0.000 -6.637) 7.365 13.790 ( -2.334 0.000 -5.245) 5.740 13.849 ( 1.181 -0.000 7.609) 7.700 ======================= Grid point 671 (342/398) ======================= q-point: (-0.33 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -10.862 0.711 -7.008) 12.946 3.045 ( -11.877 -8.912 17.097) 22.645 3.483 ( -12.865 0.135 4.205) 13.536 4.502 ( -3.861 4.595 -22.157) 22.955 4.851 ( 0.377 -0.564 8.349) 8.376 5.106 ( 4.435 -0.167 0.893) 4.527 5.344 ( -8.176 -5.844 0.453) 10.060 6.407 ( 14.635 -6.784 15.839) 22.607 8.009 ( 2.437 5.517 -3.298) 6.875 8.156 ( 6.330 3.538 -5.711) 9.230 11.074 ( -0.353 -1.691 1.952) 2.606 11.123 ( 0.440 -2.277 2.323) 3.282 11.719 ( -10.402 0.355 6.332) 12.183 12.357 ( 8.544 2.170 -12.234) 15.079 13.093 ( -4.663 1.780 0.585) 5.025 13.146 ( -3.153 -2.014 1.875) 4.185 13.742 ( -1.441 -2.183 -5.171) 5.795 13.936 ( 0.828 -2.236 7.382) 7.758 ======================= Grid point 672 (343/398) ======================= q-point: (-0.25 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -14.701 -0.177 -4.503) 15.376 3.204 ( -11.898 -15.294 16.199) 25.257 3.405 ( -7.068 -1.646 4.073) 8.322 4.195 ( -4.942 5.961 -21.286) 22.651 4.899 ( 0.774 1.279 2.038) 2.528 5.188 ( 2.374 -0.019 6.233) 6.669 5.356 ( -8.549 -11.785 0.747) 14.578 6.808 ( 11.921 -8.741 14.350) 20.602 7.898 ( 2.779 10.363 -4.183) 11.515 8.118 ( 6.660 6.391 -6.227) 11.135 11.121 ( -0.662 -3.445 2.244) 4.164 11.196 ( 0.779 -4.261 2.430) 4.967 11.631 ( -9.842 0.198 5.035) 11.057 12.320 ( 8.144 4.286 -11.742) 14.919 12.993 ( -5.383 2.596 -0.890) 6.042 13.172 ( -2.920 -2.580 4.725) 6.125 13.735 ( -0.762 -3.821 -4.637) 6.057 14.043 ( 0.508 -3.766 6.608) 7.622 ======================= Grid point 673 (344/398) ======================= q-point: (-0.17 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -15.413 -4.673 -1.371) 16.164 3.383 ( -0.807 -2.485 3.674) 4.509 3.430 ( -13.538 -16.173 13.894) 25.256 3.895 ( -3.304 7.799 -17.196) 19.169 4.827 ( 4.320 9.455 -9.217) 13.893 5.289 ( -8.318 -9.045 16.219) 20.349 5.493 ( -3.960 -15.202 1.484) 15.779 7.145 ( 7.610 -6.937 11.758) 15.630 7.726 ( 3.341 13.191 -5.686) 14.747 8.044 ( 6.609 8.410 -6.722) 12.633 11.188 ( -1.235 -4.915 2.500) 5.651 11.295 ( 0.545 -5.818 1.732) 6.095 11.559 ( -7.780 -0.225 5.073) 9.291 12.254 ( 7.372 6.651 -10.328) 14.326 12.884 ( -4.475 2.704 -0.704) 5.275 13.217 ( -1.945 -3.093 4.212) 5.576 13.754 ( -0.639 -4.271 -3.607) 5.627 14.150 ( 0.060 -4.044 5.216) 6.601 ======================= Grid point 674 (345/398) ======================= q-point: (-0.08 -0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -13.739 -11.211 2.357) 17.889 3.397 ( -0.865 -1.928 -3.622) 4.194 3.594 ( -2.576 2.387 5.455) 6.488 3.672 ( -7.086 -6.613 -0.409) 9.701 4.634 ( 2.942 11.823 -10.094) 15.821 5.475 ( -6.492 -11.635 13.874) 19.236 5.681 ( -6.191 -15.744 5.685) 17.848 7.368 ( 2.245 -4.475 9.001) 10.300 7.535 ( 4.864 13.028 -7.132) 15.629 7.938 ( 5.902 9.539 -7.563) 13.529 11.268 ( -1.685 -5.951 2.668) 6.736 11.394 ( -0.470 -5.622 1.864) 5.942 11.526 ( -4.681 -1.178 4.086) 6.324 12.151 ( 5.785 8.872 -8.749) 13.737 12.809 ( -1.818 1.747 0.038) 2.522 13.276 ( -0.315 -3.353 2.699) 4.316 13.779 ( -0.764 -3.488 -2.086) 4.136 14.234 ( -0.500 -3.263 3.494) 4.807 ======================= Grid point 683 (346/398) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -14.980 0.000 -7.613) 16.804 2.921 ( -19.264 0.000 20.611) 28.212 3.393 ( -6.265 0.000 3.278) 7.071 4.289 ( -3.725 0.000 -26.623) 26.883 4.870 ( -11.573 0.000 17.614) 21.076 5.108 ( 3.060 -0.000 -4.427) 5.381 5.325 ( 3.046 -0.000 0.907) 3.178 6.653 ( 13.034 -0.000 15.599) 20.328 8.061 ( 3.147 -0.000 -2.983) 4.336 8.215 ( 6.378 -0.000 -5.879) 8.674 11.070 ( -0.073 0.000 1.089) 1.091 11.132 ( 0.142 -0.000 2.847) 2.850 11.635 ( -10.771 0.000 5.971) 12.315 12.382 ( 8.987 -0.000 -13.122) 15.904 13.044 ( -4.293 0.000 -2.297) 4.869 13.118 ( -4.343 0.000 6.642) 7.936 13.675 ( -0.247 0.000 -5.159) 5.165 13.983 ( 0.198 -0.000 7.211) 7.214 ======================= Grid point 684 (347/398) ======================= q-point: (-0.25 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -19.287 -1.050 -5.693) 20.137 2.930 ( -19.844 -12.380 21.873) 32.023 3.369 ( -1.950 -0.339 2.051) 2.850 4.041 ( -1.324 2.247 -23.252) 23.398 4.864 ( -14.796 -2.906 18.858) 24.145 5.158 ( 1.617 -6.500 -4.770) 8.223 5.324 ( 3.850 5.802 -0.640) 6.993 6.948 ( 9.010 -5.039 13.989) 17.386 8.034 ( 3.802 6.535 -3.268) 8.237 8.226 ( 6.823 3.404 -6.000) 9.702 11.089 ( -0.281 -1.772 0.983) 2.046 11.163 ( -0.886 -2.669 0.986) 2.980 11.561 ( -9.162 0.093 8.060) 12.204 12.378 ( 9.093 2.096 -13.026) 16.024 12.961 ( -4.246 2.089 -1.155) 4.871 13.132 ( -3.778 -2.310 5.302) 6.908 13.655 ( 0.617 -1.987 -4.572) 5.023 14.050 ( -0.465 -2.201 6.378) 6.764 ======================= Grid point 685 (348/398) ======================= q-point: (-0.17 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -20.276 -5.707 -1.507) 21.118 3.101 ( -17.078 -18.928 20.934) 32.988 3.372 ( 0.045 -0.547 -0.766) 0.943 3.853 ( 1.686 3.432 -15.028) 15.507 4.868 ( -7.536 -1.032 6.894) 10.265 5.176 ( -10.641 -2.558 9.067) 14.212 5.351 ( 6.251 -5.293 -4.034) 9.131 7.202 ( 2.663 -6.038 10.874) 12.720 7.925 ( 4.965 11.935 -3.757) 13.462 8.194 ( 7.553 6.912 -6.223) 11.982 11.125 ( -1.436 -3.464 1.160) 3.925 11.201 ( -1.419 -5.705 -2.247) 6.294 11.538 ( -6.492 0.432 11.657) 13.350 12.341 ( 8.098 4.203 -12.964) 15.852 12.877 ( -2.441 2.634 -0.075) 3.592 13.170 ( -2.253 -3.606 3.464) 5.484 13.671 ( 0.720 -3.215 -3.438) 4.762 14.127 ( -1.161 -3.603 4.822) 6.130 ======================= Grid point 686 (349/398) ======================= q-point: (-0.08 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -17.270 -12.198 4.771) 21.675 3.294 ( -7.816 -8.988 4.733) 12.817 3.395 ( -5.243 -9.011 7.387) 12.778 3.762 ( 4.602 4.790 -2.896) 7.247 4.752 ( 2.480 10.136 -9.769) 14.294 5.257 ( -17.751 -15.681 24.148) 33.825 5.498 ( 3.611 -9.726 -4.121) 11.164 7.330 ( -5.287 -4.474 5.791) 9.028 7.781 ( 7.247 14.151 -2.888) 16.159 8.116 ( 7.925 10.443 -6.888) 14.809 11.173 ( -2.584 -5.875 0.916) 6.483 11.262 ( -0.438 -7.584 -3.525) 8.375 11.554 ( -4.983 1.327 13.058) 14.040 12.254 ( 6.042 6.257 -12.587) 15.300 12.836 ( 0.954 2.247 1.248) 2.742 13.231 ( -0.434 -4.359 1.658) 4.684 13.708 ( 0.427 -3.729 -1.851) 4.185 14.193 ( -1.802 -3.886 2.843) 5.140 ======================= Grid point 696 (350/398) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -22.673 0.000 -3.369) 22.922 2.772 ( -20.530 0.000 27.051) 33.959 3.365 ( 0.076 -0.000 0.208) 0.221 3.885 ( 1.893 -0.000 -20.580) 20.667 4.788 ( -20.645 0.000 25.237) 32.606 5.110 ( 4.323 -0.000 -6.839) 8.090 5.392 ( 2.841 -0.000 -4.278) 5.135 7.097 ( 3.761 -0.000 12.519) 13.072 8.116 ( 5.287 -0.000 -2.673) 5.925 8.291 ( 7.383 -0.000 -5.850) 9.420 11.082 ( 0.132 -0.000 0.442) 0.461 11.109 ( -3.722 0.000 -1.920) 4.188 11.544 ( -6.760 0.000 12.640) 14.334 12.397 ( 8.649 -0.000 -14.700) 17.056 12.926 ( -2.328 0.000 -1.003) 2.534 13.106 ( -3.406 0.000 4.685) 5.792 13.624 ( 1.773 -0.000 -3.960) 4.339 14.068 ( -1.531 0.000 5.448) 5.659 ======================= Grid point 697 (351/398) ======================= q-point: (-0.17 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -21.354 -3.973 4.499) 22.181 2.843 ( -17.791 -12.243 28.274) 35.579 3.366 ( 1.398 0.293 -2.732) 3.083 3.795 ( 4.800 -0.830 -13.930) 14.758 4.761 ( -20.014 -4.675 24.845) 32.244 5.118 ( 1.945 -0.252 -5.686) 6.015 5.357 ( 2.319 1.232 -5.642) 6.223 7.209 ( -3.679 -2.993 8.976) 10.152 8.117 ( 6.823 7.553 -2.226) 10.419 8.321 ( 8.451 3.275 -5.900) 10.815 11.050 ( -4.366 -2.401 -2.502) 5.576 11.107 ( 0.095 -2.885 -0.611) 2.950 11.576 ( -5.709 0.346 15.310) 16.343 12.361 ( 6.644 1.538 -16.285) 17.655 12.899 ( 0.815 1.630 0.342) 1.854 13.123 ( -1.663 -2.561 2.777) 4.128 13.632 ( 2.087 -1.277 -2.843) 3.751 14.095 ( -2.478 -2.204 3.837) 5.072 ======================= Grid point 698 (352/398) ======================= q-point: (-0.08 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -14.955 -9.077 14.104) 22.471 3.068 ( -14.416 -15.975 25.347) 33.249 3.344 ( 2.233 0.724 -6.315) 6.737 3.819 ( 6.810 -2.215 -4.302) 8.354 4.792 ( -7.153 -1.954 8.775) 11.489 5.066 ( -10.361 -2.251 10.388) 14.843 5.389 ( 3.655 -6.531 -6.818) 10.124 7.212 ( -11.111 -3.082 3.949) 12.188 8.048 ( 7.628 12.201 -1.605) 14.479 8.303 ( 8.762 7.860 -6.542) 13.467 11.040 ( -3.792 -5.926 -2.054) 7.329 11.158 ( 0.468 -4.654 -1.336) 4.865 11.615 ( -6.000 0.996 15.365) 16.525 12.273 ( 4.864 2.715 -16.175) 17.107 12.912 ( 4.023 1.952 1.532) 4.726 13.177 ( 0.074 -4.047 1.078) 4.189 13.664 ( 1.682 -2.241 -1.428) 3.145 14.125 ( -3.143 -3.653 1.829) 5.155 ======================= Grid point 709 (353/398) ======================= q-point: (-0.17 -0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -15.393 0.000 16.471) 22.544 2.774 ( -16.733 0.000 32.459) 36.518 3.368 ( 2.484 -0.000 -4.212) 4.890 3.762 ( 7.820 -0.000 -11.349) 13.782 4.669 ( -22.851 0.000 30.562) 38.160 5.115 ( 5.557 -0.000 -8.274) 9.967 5.323 ( 0.023 -0.000 -8.339) 8.339 7.158 ( -10.551 0.000 5.481) 11.890 8.255 ( 7.871 -0.000 -1.192) 7.961 8.404 ( 8.874 -0.000 -6.313) 10.891 10.949 ( -4.347 0.000 -3.233) 5.417 11.090 ( 0.281 -0.000 -0.307) 0.417 11.629 ( -6.501 0.000 16.520) 17.754 12.306 ( 4.881 -0.000 -18.212) 18.855 12.942 ( 3.846 -0.000 0.202) 3.851 13.110 ( -0.240 0.000 1.958) 1.973 13.637 ( 2.773 -0.000 -1.820) 3.317 14.065 ( -3.610 0.000 2.332) 4.298 ======================= Grid point 710 (354/398) ======================= q-point: (-0.08 -0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -6.303 -2.849 25.668) 26.584 2.912 ( -14.677 -10.470 31.236) 36.066 3.351 ( 3.531 1.898 -6.584) 7.709 3.830 ( 9.184 -3.741 -5.525) 11.352 4.696 ( -18.451 -7.202 31.170) 36.931 5.076 ( 2.709 5.603 -7.406) 9.674 5.285 ( 2.252 -4.461 -9.628) 10.848 7.027 ( -16.498 -1.626 1.011) 16.608 8.278 ( 7.184 8.176 -1.245) 10.955 8.438 ( 8.035 3.356 -6.902) 11.111 10.906 ( -3.409 -3.729 -2.208) 5.514 11.104 ( 0.172 -2.336 -1.421) 2.740 11.663 ( -7.685 0.520 15.757) 17.539 12.218 ( 4.596 0.475 -17.685) 18.278 12.999 ( 5.611 0.543 0.370) 5.649 13.144 ( 0.870 -2.283 1.041) 2.656 13.664 ( 2.483 -0.432 -0.663) 2.606 14.044 ( -4.289 -2.352 0.581) 4.926 ======================= Grid point 722 (355/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.958 -0.000 29.464) 29.479 2.902 ( -13.720 0.000 30.353) 33.310 3.370 ( 4.008 -0.000 -4.866) 6.304 3.877 ( 8.495 -0.000 -3.351) 9.132 4.681 ( -16.195 0.000 36.505) 39.936 5.132 ( 6.740 -0.000 -9.191) 11.397 5.179 ( 3.124 -0.000 -12.119) 12.515 6.775 ( -20.867 0.000 -2.841) 21.060 8.413 ( 5.514 -0.000 -1.475) 5.708 8.491 ( 6.093 -0.000 -7.235) 9.459 10.827 ( -2.744 0.000 -0.988) 2.916 11.070 ( -0.326 0.000 -2.790) 2.809 11.680 ( -9.071 0.000 14.596) 17.185 12.149 ( 5.881 -0.000 -16.827) 17.825 13.072 ( 5.899 -0.000 -0.444) 5.916 13.148 ( 0.921 -0.000 1.061) 1.405 13.692 ( 2.423 -0.000 0.151) 2.427 13.969 ( -4.905 0.000 -0.571) 4.938 ======================= Grid point 723 (356/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -1.490 0.000 -15.156) 15.230 2.862 ( 1.490 -0.000 15.156) 15.230 3.764 ( 7.249 -0.000 -18.125) 19.521 3.764 ( -7.249 0.000 18.125) 19.521 4.966 ( 8.975 -0.000 -8.735) 12.524 4.966 ( -8.975 0.000 8.735) 12.524 5.829 ( -20.074 0.000 -19.200) 27.778 5.829 ( 20.074 -0.000 19.200) 27.778 8.436 ( 1.272 -0.000 -0.830) 1.519 8.436 ( -1.272 0.000 0.830) 1.519 10.875 ( -0.245 0.000 -5.249) 5.255 10.875 ( 0.245 -0.000 5.249) 5.255 11.879 ( 11.003 -0.000 -11.730) 16.083 11.879 ( -11.003 0.000 11.730) 16.083 13.167 ( -2.609 0.000 0.666) 2.692 13.167 ( 2.609 -0.000 -0.666) 2.692 13.797 ( -3.353 0.000 -1.943) 3.875 13.797 ( 3.353 -0.000 1.943) 3.875 ======================= Grid point 725 (357/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -1.422 -0.793 -19.356) 19.425 2.990 ( 0.596 -0.539 13.109) 13.134 3.699 ( 4.795 -1.274 -19.457) 20.079 3.817 ( -6.424 -3.926 11.680) 13.896 4.913 ( -10.455 1.496 7.602) 13.013 5.029 ( 2.115 -3.298 1.601) 4.232 5.532 ( -7.272 -6.840 -22.250) 24.387 6.260 ( 22.805 -2.757 15.537) 27.732 8.370 ( -2.577 6.468 -0.000) 6.963 8.401 ( -0.685 4.980 0.593) 5.062 10.869 ( 0.391 -3.745 -3.389) 5.066 10.949 ( 0.709 -3.145 5.803) 6.638 11.851 ( -8.974 -0.796 11.770) 14.822 11.929 ( 11.713 0.125 -12.559) 17.174 13.133 ( -4.426 -0.871 0.174) 4.514 13.187 ( 0.239 -1.107 -0.551) 1.260 13.752 ( -3.176 -0.972 -1.504) 3.646 13.873 ( 4.034 -1.816 2.848) 5.261 ======================= Grid point 726 (358/398) ======================= q-point: ( 0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -0.445 -2.511 -22.987) 23.128 3.075 ( -2.183 1.681 12.306) 12.610 3.659 ( 5.936 -5.996 -19.014) 20.802 3.905 ( -4.186 -7.982 5.624) 10.624 4.752 ( -13.121 6.299 4.485) 15.230 5.143 ( -3.333 -7.844 9.564) 12.811 5.515 ( 6.256 -12.961 -20.949) 25.416 6.678 ( 20.547 -2.745 11.395) 23.655 8.196 ( -3.727 11.301 -1.132) 11.954 8.289 ( -2.460 9.008 1.493) 9.456 10.938 ( 0.865 -6.939 -0.962) 7.059 11.060 ( 0.607 -5.007 4.898) 7.031 11.861 ( -6.403 -0.866 11.936) 13.573 11.956 ( 10.388 1.583 -13.452) 17.070 13.081 ( -5.306 -0.446 -0.744) 5.376 13.202 ( -1.113 -2.275 0.314) 2.552 13.724 ( -3.133 -2.345 -1.289) 4.120 13.988 ( 4.328 -3.437 3.272) 6.423 ======================= Grid point 727 (359/398) ======================= q-point: ( 0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 2.787 -7.740 -21.525) 23.043 3.085 ( -3.344 3.312 9.968) 11.023 3.724 ( 6.883 -9.122 -14.821) 18.715 4.013 ( -1.990 -9.641 -1.692) 9.989 4.508 ( -11.121 11.185 4.968) 16.537 5.314 ( -3.870 -10.793 10.732) 15.705 5.669 ( 7.966 -15.226 -16.538) 23.849 7.007 ( 15.848 -1.035 7.912) 17.744 7.956 ( -3.895 13.053 -2.234) 13.804 8.111 ( -3.901 11.701 1.323) 12.405 11.066 ( 1.037 -8.928 1.374) 9.092 11.175 ( 0.118 -6.050 3.248) 6.867 11.885 ( -2.098 1.305 6.494) 6.948 11.932 ( 5.370 2.900 -8.597) 10.544 12.998 ( -5.416 1.212 -1.944) 5.880 13.235 ( -0.855 -3.210 1.248) 3.549 13.728 ( -2.588 -4.285 -0.805) 5.071 14.116 ( 3.773 -3.756 2.811) 6.021 ======================= Grid point 728 (360/398) ======================= q-point: ( 0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 6.509 -13.906 -15.140) 21.563 3.075 ( -1.869 3.153 8.535) 9.289 3.807 ( 1.386 -5.119 -8.778) 10.256 4.055 ( 0.127 -5.440 -17.172) 18.014 4.296 ( -5.969 9.454 14.016) 17.929 5.499 ( -3.113 -9.885 8.652) 13.500 5.871 ( 6.110 -15.536 -11.488) 20.265 7.210 ( 9.325 2.459 5.989) 11.353 7.722 ( -2.013 10.344 -3.085) 10.980 7.892 ( -4.447 11.986 0.352) 12.789 11.229 ( 0.683 -9.348 3.637) 10.054 11.285 ( -0.002 -6.647 1.497) 6.814 11.827 ( 4.707 4.853 -12.163) 13.916 11.912 ( -3.190 3.246 9.130) 10.201 12.895 ( -4.369 1.949 -2.314) 5.315 13.288 ( -0.041 -3.193 1.523) 3.538 13.763 ( -1.734 -4.697 -0.449) 5.027 14.223 ( 2.663 -2.951 1.878) 4.397 ======================= Grid point 729 (361/398) ======================= q-point: ( 0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 6.738 -15.700 -8.672) 19.159 3.090 ( 1.072 2.738 8.830) 9.306 3.656 ( -8.675 8.578 -7.715) 14.435 4.021 ( 4.268 -3.136 -9.896) 11.224 4.297 ( -1.301 0.184 7.504) 7.618 5.633 ( -1.817 -5.689 4.500) 7.478 6.064 ( 3.541 -11.291 -5.722) 13.144 7.250 ( 1.976 5.885 3.563) 7.158 7.603 ( 1.537 3.772 -1.019) 4.198 7.690 ( -3.390 7.754 -1.398) 8.577 11.381 ( -1.007 -5.849 2.610) 6.483 11.399 ( 1.154 -7.947 3.528) 8.771 11.704 ( 2.864 5.845 -11.209) 12.962 11.882 ( -2.489 3.935 6.183) 7.740 12.814 ( -2.304 1.204 -1.376) 2.941 13.338 ( 0.265 -1.970 0.998) 2.224 13.801 ( -0.851 -2.947 -0.263) 3.079 14.292 ( 1.349 -1.579 0.902) 2.264 ======================= Grid point 730 (362/398) ======================= q-point: ( 0.50 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 3.09e-04 3.09e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( -0.000 0.000 0.000) 0.000 3.158 ( 0.000 -0.000 -0.000) 0.000 3.432 ( -0.000 0.000 0.000) 0.000 4.039 ( -0.000 0.000 0.000) 0.000 4.320 ( -0.000 0.000 0.000) 0.000 5.680 ( -0.000 0.000 0.000) 0.000 6.152 ( -0.000 0.000 0.000) 0.000 7.219 ( -0.000 0.000 0.000) 0.000 7.594 ( -0.000 -0.000 -0.000) 0.000 7.599 ( -0.000 0.000 0.000) 0.000 11.431 ( 0.000 0.000 0.000) 0.000 11.529 ( -0.000 -0.000 0.000) 0.000 11.586 ( -0.000 0.000 -0.000) 0.000 11.856 ( -0.000 0.000 0.000) 0.000 12.786 ( -0.000 0.000 0.000) 0.000 13.359 ( -0.000 0.000 0.000) 0.000 13.816 ( -0.000 0.000 0.000) 0.000 14.315 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 738 (363/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -1.254 0.000 -23.033) 23.067 3.087 ( 1.340 -0.000 9.875) 9.965 3.599 ( 7.249 -0.000 -24.582) 25.629 3.737 ( -12.942 0.000 10.145) 16.444 4.898 ( -10.339 0.000 13.848) 17.282 4.987 ( -7.488 0.000 4.982) 8.994 5.314 ( 10.971 -0.000 -24.342) 26.700 6.633 ( 22.465 -0.000 11.409) 25.196 8.390 ( -4.296 0.000 2.409) 4.925 8.409 ( -2.461 0.000 -1.337) 2.801 10.832 ( 1.154 -0.000 -1.546) 1.929 10.984 ( 1.099 -0.000 5.587) 5.694 11.839 ( -7.325 0.000 13.492) 15.352 11.977 ( 12.253 -0.000 -14.604) 19.063 13.066 ( -5.354 0.000 0.180) 5.358 13.165 ( -1.263 0.000 -0.676) 1.433 13.699 ( -3.469 0.000 -0.447) 3.497 13.934 ( 4.525 -0.000 2.749) 5.294 ======================= Grid point 739 (364/398) ======================= q-point: ( 0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 1.141 -1.334 -25.413) 25.474 3.165 ( -0.491 1.339 9.567) 9.673 3.511 ( 7.314 -3.091 -22.543) 23.901 3.715 ( -9.841 -9.204 3.532) 13.930 4.792 ( -8.802 8.275 11.107) 16.410 5.031 ( -6.866 -8.496 9.365) 14.388 5.363 ( 15.063 -5.118 -19.594) 25.239 6.968 ( 18.329 -1.097 7.061) 19.673 8.276 ( -4.839 7.877 -0.527) 9.259 8.344 ( -4.922 3.446 1.239) 6.135 10.875 ( 1.860 -3.801 0.642) 4.280 11.052 ( 0.872 -2.327 3.885) 4.612 11.879 ( -5.377 -0.764 15.117) 16.063 11.992 ( 10.369 1.126 -16.330) 19.376 13.004 ( -5.125 -0.390 -0.257) 5.146 13.157 ( -0.955 -1.707 -0.279) 1.976 13.657 ( -3.752 -0.768 0.130) 3.832 14.025 ( 4.462 -2.021 2.360) 5.437 ======================= Grid point 740 (365/398) ======================= q-point: ( 0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 6.474 -5.828 -21.513) 23.209 3.174 ( -2.121 3.779 8.655) 9.679 3.559 ( 8.784 -9.947 -17.279) 21.787 3.781 ( -5.072 -11.632 -3.357) 13.127 4.650 ( -5.816 11.567 11.883) 17.574 5.170 ( -6.296 -11.270 10.750) 16.799 5.491 ( 12.295 -8.603 -16.928) 22.622 7.219 ( 12.804 -1.211 3.452) 13.317 8.061 ( -4.871 11.511 -2.528) 12.752 8.204 ( -6.174 8.115 2.174) 10.426 10.989 ( 2.277 -6.598 2.587) 7.444 11.127 ( 0.303 -3.989 2.035) 4.489 11.929 ( 2.236 1.967 -3.261) 4.416 11.963 ( 0.633 0.682 1.848) 2.069 12.939 ( -4.157 0.802 -1.207) 4.402 13.190 ( 0.812 -3.130 -0.181) 3.238 13.641 ( -3.160 -2.870 0.839) 4.350 14.129 ( 3.607 -3.138 1.440) 4.993 ======================= Grid point 741 (366/398) ======================= q-point: ( 0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 10.900 -11.015 -12.789) 20.092 3.175 ( 0.596 3.001 7.911) 8.482 3.681 ( 2.924 -7.506 -7.506) 11.011 3.841 ( 2.213 -9.181 -14.586) 17.377 4.505 ( -4.408 13.043 13.731) 19.444 5.350 ( -6.491 -12.464 10.715) 17.672 5.655 ( 9.072 -12.987 -14.053) 21.177 7.371 ( 7.149 -0.030 1.445) 7.294 7.807 ( -4.050 11.771 -4.621) 13.278 8.007 ( -6.081 11.059 2.880) 12.945 11.149 ( 2.127 -8.085 4.005) 9.269 11.207 ( 0.083 -5.466 0.850) 5.533 11.843 ( 4.509 3.645 -14.663) 15.768 11.992 ( -4.325 2.552 12.571) 13.537 12.866 ( -2.104 2.031 -1.584) 3.326 13.255 ( 2.263 -3.424 -0.700) 4.163 13.675 ( -1.969 -4.807 1.443) 5.391 14.218 ( 2.237 -3.185 0.309) 3.904 ======================= Grid point 742 (367/398) ======================= q-point: ( 0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 10.641 -12.745 -5.912) 17.625 3.237 ( 5.224 1.983 8.950) 10.551 3.627 ( -5.614 6.119 -4.457) 9.425 3.922 ( 8.614 -8.337 -15.259) 19.405 4.406 ( -3.769 8.007 12.829) 15.586 5.507 ( -5.967 -10.466 6.923) 13.895 5.870 ( 5.896 -15.478 -8.102) 18.438 7.408 ( 2.781 6.050 1.775) 6.891 7.580 ( -3.987 4.864 -8.202) 10.336 7.809 ( -4.100 10.624 4.394) 12.206 11.298 ( -0.398 -6.402 1.433) 6.573 11.325 ( 1.901 -8.431 3.485) 9.318 11.728 ( 3.578 4.527 -12.303) 13.589 11.966 ( -4.557 4.927 9.212) 11.398 12.817 ( 0.523 2.018 -0.704) 2.200 13.320 ( 2.535 -2.468 -1.679) 3.916 13.741 ( -0.752 -4.691 1.749) 5.063 14.276 ( 0.721 -2.497 -0.658) 2.681 ======================= Grid point 743 (368/398) ======================= q-point: ( 0.50 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 6.055 -8.727 -3.429) 11.162 3.330 ( -1.049 15.455 4.608) 16.162 3.445 ( 6.356 -3.370 2.226) 7.531 4.016 ( 4.501 -4.124 -5.595) 8.281 4.362 ( -2.723 4.220 7.134) 8.725 5.604 ( -4.854 -7.230 2.552) 9.075 6.080 ( 2.656 -10.507 -2.168) 11.053 7.298 ( 1.281 9.961 -2.368) 10.319 7.468 ( -4.449 -3.498 -6.058) 8.290 7.694 ( -2.201 5.368 5.568) 8.041 11.390 ( 0.107 -5.191 0.152) 5.195 11.474 ( -0.687 -6.595 2.016) 6.930 11.628 ( 4.082 4.365 -6.398) 8.755 11.897 ( -3.260 4.929 5.028) 7.759 12.813 ( 2.647 1.215 0.613) 2.976 13.355 ( 1.969 -0.779 -2.754) 3.474 13.807 ( 0.265 -2.610 1.957) 3.273 14.296 ( -0.678 -1.300 -1.406) 2.032 ======================= Grid point 744 (369/398) ======================= q-point: (-0.42 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 0.448 1.639 1.770) 2.454 3.057 ( -2.532 11.809 -2.332) 12.300 3.737 ( 13.404 -6.924 8.210) 17.175 4.065 ( 0.872 -0.566 2.976) 3.152 4.310 ( -1.873 4.484 2.341) 5.394 5.626 ( -3.421 -2.183 -1.664) 4.386 6.167 ( -0.674 1.264 3.413) 3.701 7.165 ( -2.141 2.817 -7.260) 8.076 7.477 ( -0.895 -7.098 -2.153) 7.471 7.680 ( -1.642 -1.167 5.213) 5.589 11.427 ( 0.069 0.502 -0.889) 1.023 11.451 ( 0.327 4.311 -6.009) 7.402 11.678 ( 0.073 -4.207 7.027) 8.190 11.845 ( -0.399 1.146 -0.502) 1.313 12.858 ( 4.237 -0.169 2.054) 4.711 13.349 ( 1.269 0.906 -3.510) 3.841 13.847 ( 1.069 0.439 2.071) 2.372 14.274 ( -1.869 0.323 -2.093) 2.825 ======================= Grid point 745 (370/398) ======================= q-point: (-0.33 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -4.761 13.709 12.897) 19.415 3.004 ( 3.915 -2.145 -8.839) 9.902 3.925 ( -1.014 3.607 8.922) 9.677 4.182 ( 6.756 -3.355 -12.029) 14.199 4.269 ( 5.086 1.805 17.966) 18.759 5.551 ( -2.175 3.656 -5.866) 7.246 6.094 ( -2.614 11.410 8.875) 14.690 7.019 ( -8.613 0.587 -9.625) 12.929 7.608 ( 2.074 -10.626 0.729) 10.851 7.777 ( 0.288 -9.132 2.315) 9.426 11.328 ( 0.468 7.923 -3.789) 8.794 11.366 ( -0.137 5.959 -1.695) 6.197 11.787 ( -3.736 -4.601 9.670) 11.342 11.846 ( 2.467 -2.408 -5.623) 6.596 12.951 ( 5.183 -1.472 3.184) 6.258 13.313 ( 0.888 1.919 -3.605) 4.179 13.853 ( 1.779 3.272 2.090) 4.271 14.208 ( -2.870 2.174 -2.817) 4.572 ======================= Grid point 746 (371/398) ======================= q-point: (-0.25 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -2.140 7.730 17.484) 19.236 3.010 ( 3.862 -2.121 -10.618) 11.496 3.872 ( -5.990 7.304 13.431) 16.420 4.086 ( 1.341 4.334 -10.631) 11.559 4.591 ( 15.260 -4.408 10.659) 19.128 5.388 ( -1.701 7.310 -8.756) 11.533 5.951 ( -2.142 15.483 13.820) 20.864 6.768 ( -14.376 3.345 -11.458) 18.685 7.827 ( 3.316 -13.262 1.728) 13.779 7.955 ( 0.790 -12.814 -0.412) 12.844 11.186 ( -0.219 9.430 -0.578) 9.450 11.247 ( 0.082 7.503 -3.424) 8.248 11.848 ( 1.199 -2.091 -2.232) 3.285 11.882 ( -3.211 -3.412 4.510) 6.504 13.064 ( 5.071 -1.490 3.064) 6.110 13.268 ( 0.639 1.953 -2.877) 3.536 13.837 ( 2.502 4.697 2.276) 5.788 14.100 ( -3.642 3.759 -3.464) 6.277 ======================= Grid point 747 (372/398) ======================= q-point: (-0.17 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 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -0.381 2.526 18.878) 19.050 2.982 ( 2.487 -1.125 -13.901) 14.167 3.815 ( -5.325 6.185 16.506) 18.414 3.954 ( 2.461 4.761 -12.719) 13.802 4.877 ( 13.165 -0.875 5.943) 14.471 5.187 ( -2.758 6.835 -8.491) 11.244 5.857 ( 3.564 14.330 17.928) 23.226 6.398 ( -17.152 6.442 -14.660) 23.465 8.071 ( 2.816 -13.134 1.682) 13.537 8.136 ( -0.064 -12.474 -1.549) 12.570 11.056 ( -0.306 8.664 2.118) 8.924 11.108 ( -0.098 7.460 -4.409) 8.666 11.866 ( 6.294 -0.403 -8.766) 10.799 11.907 ( -8.062 -1.757 9.872) 12.866 13.152 ( 3.972 -0.090 1.775) 4.351 13.230 ( -0.264 1.445 -1.565) 2.146 13.826 ( 3.162 4.223 2.712) 5.931 13.965 ( -3.953 4.249 -3.651) 6.856 ======================= Grid point 748 (373/398) ======================= 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 3.09e-04 3.09e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -0.014 0.702 -16.726) 16.741 2.880 ( 0.014 0.702 16.726) 16.741 3.820 ( 8.176 3.766 -20.850) 22.710 3.820 ( -8.176 3.766 20.850) 22.710 5.012 ( 0.703 3.112 -8.488) 9.068 5.012 ( -0.703 3.112 8.488) 9.068 5.954 ( -15.692 8.207 -18.612) 25.691 5.954 ( 15.692 8.207 18.612) 25.691 8.279 ( -0.177 -10.182 -2.288) 10.438 8.279 ( 0.177 -10.182 2.288) 10.438 10.972 ( -0.075 6.313 -4.429) 7.711 10.972 ( 0.075 6.313 4.429) 7.711 11.888 ( 9.566 0.148 -11.202) 14.731 11.888 ( -9.566 0.148 11.202) 14.731 13.190 ( -2.251 1.151 -0.368) 2.555 13.190 ( 2.251 1.151 0.368) 2.555 13.838 ( -3.595 2.997 -2.928) 5.521 13.838 ( 3.595 2.997 2.928) 5.521 ======================= Grid point 752 (374/398) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 5.642 -0.000 -23.647) 24.310 3.244 ( 1.734 -0.000 5.844) 6.096 3.411 ( 11.135 -0.000 -27.818) 29.964 3.540 ( -13.070 0.000 10.704) 16.894 4.880 ( -9.409 0.000 15.040) 17.740 4.936 ( -0.995 0.000 4.436) 4.546 5.387 ( 14.433 -0.000 -15.187) 20.951 7.192 ( 12.885 -0.000 2.414) 13.109 8.269 ( -5.833 0.000 -2.728) 6.439 8.301 ( -6.321 0.000 3.296) 7.129 10.889 ( 2.966 -0.000 2.397) 3.813 11.069 ( 0.642 -0.000 2.069) 2.166 11.940 ( -4.514 0.000 17.355) 17.932 11.981 ( 7.880 -0.000 -18.059) 19.703 12.946 ( -3.601 0.000 -0.198) 3.606 13.140 ( 1.281 -0.000 -0.935) 1.586 13.606 ( -4.274 0.000 1.254) 4.454 14.078 ( 4.106 -0.000 1.056) 4.240 ======================= Grid point 753 (375/398) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 11.910 -3.094 -15.851) 20.067 3.272 ( 0.139 3.691 5.856) 6.923 3.404 ( 13.148 -7.694 -23.921) 28.360 3.561 ( -7.689 -8.586 7.368) 13.679 4.822 ( -4.693 7.109 12.197) 14.877 5.035 ( -3.994 -7.642 7.957) 11.733 5.453 ( 11.684 -1.914 -13.983) 18.322 7.323 ( 6.199 -1.719 -1.873) 6.700 8.117 ( -5.397 7.467 -2.331) 9.504 8.226 ( -6.460 3.437 2.881) 7.864 10.980 ( 3.593 -3.275 3.821) 6.184 11.099 ( 0.248 -1.984 0.683) 2.113 11.911 ( 4.899 1.198 -17.296) 18.017 12.021 ( -4.800 -0.024 16.766) 17.439 12.908 ( -1.355 0.732 -0.554) 1.637 13.175 ( 4.007 -1.692 -2.183) 4.867 13.579 ( -3.740 -1.577 2.366) 4.698 14.139 ( 3.079 -1.811 -0.438) 3.599 ======================= Grid point 754 (376/398) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 15.098 -6.637 -6.261) 17.641 3.293 ( 3.570 2.189 5.905) 7.239 3.542 ( 10.142 -11.212 -15.871) 21.919 3.651 ( -2.276 -7.597 0.123) 7.932 4.739 ( -3.339 11.315 11.947) 16.790 5.171 ( -7.371 -11.181 10.669) 17.122 5.525 ( 9.697 -6.033 -14.300) 18.300 7.370 ( -0.419 -3.862 -5.199) 6.490 7.906 ( -3.207 11.729 -2.252) 12.367 8.092 ( -5.811 7.639 3.387) 10.178 11.118 ( 3.028 -5.400 4.449) 7.624 11.145 ( 0.215 -3.910 0.020) 3.916 11.816 ( 3.892 1.748 -15.055) 15.648 12.063 ( -6.175 1.715 14.221) 15.598 12.883 ( 1.377 2.123 -0.610) 2.603 13.242 ( 5.179 -2.457 -3.485) 6.708 13.603 ( -2.285 -3.983 3.260) 5.631 14.193 ( 1.580 -2.823 -1.746) 3.676 ======================= Grid point 755 (377/398) ======================= q-point: ( 0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 13.149 -7.614 -0.899) 15.221 3.389 ( 7.493 -0.084 3.777) 8.392 3.633 ( -2.563 2.077 6.132) 6.963 3.769 ( 11.552 -12.037 -17.784) 24.384 4.604 ( -5.076 12.615 12.343) 18.365 5.318 ( -8.225 -11.518 8.814) 16.673 5.673 ( 7.697 -13.187 -10.146) 18.333 7.346 ( -6.155 -5.377 -7.620) 11.174 7.681 ( -0.074 14.243 -1.751) 14.350 7.931 ( -4.721 9.324 4.081) 11.219 11.216 ( 0.006 -5.620 0.364) 5.632 11.264 ( 1.435 -6.623 2.949) 7.390 11.737 ( 5.024 2.484 -11.336) 12.645 12.039 ( -6.647 3.860 10.881) 13.322 12.876 ( 3.594 2.812 0.116) 4.565 13.307 ( 4.657 -2.165 -4.578) 6.880 13.680 ( -0.703 -5.301 3.649) 6.473 14.229 ( 0.010 -3.039 -2.561) 3.974 ======================= Grid point 756 (378/398) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 8.741 -5.412 -0.450) 10.291 3.422 ( -2.346 5.288 -4.675) 7.438 3.668 ( 12.303 4.299 12.006) 17.719 3.948 ( 9.109 -8.725 -9.211) 15.618 4.472 ( -6.162 8.333 11.015) 15.124 5.423 ( -7.642 -9.869 4.313) 13.206 5.914 ( 5.156 -15.352 -3.522) 16.573 7.250 ( -9.410 -3.920 -9.947) 14.243 7.496 ( 2.933 11.787 -0.328) 12.151 7.786 ( -4.150 7.574 4.539) 9.756 11.306 ( 0.030 -6.381 -0.102) 6.382 11.374 ( -1.172 -6.554 -0.069) 6.658 11.702 ( 6.875 3.204 -5.940) 9.634 11.969 ( -5.490 5.178 8.076) 11.053 12.894 ( 4.696 2.495 1.233) 5.459 13.342 ( 3.269 -1.154 -5.383) 6.403 13.781 ( 0.529 -4.574 3.683) 5.896 14.239 ( -1.307 -2.533 -2.933) 4.090 ======================= Grid point 757 (379/398) ======================= q-point: (-0.42 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 5.385 -1.874 -2.030) 6.053 3.206 ( -4.579 12.723 -0.460) 13.530 3.908 ( 13.476 -1.841 3.894) 14.147 4.097 ( 7.673 -2.742 1.197) 8.236 4.392 ( -3.805 4.660 10.220) 11.859 5.475 ( -7.596 -7.681 0.574) 10.818 6.140 ( 3.007 -8.970 1.732) 9.618 7.077 ( -8.334 0.641 -11.105) 13.899 7.434 ( 3.329 2.047 0.127) 3.910 7.692 ( -4.132 2.944 4.317) 6.662 11.384 ( -0.179 -4.729 -1.031) 4.843 11.414 ( -1.252 -3.063 -3.242) 4.632 11.722 ( 5.388 1.622 -0.093) 5.627 11.889 ( -3.406 5.070 5.060) 7.931 12.943 ( 5.125 1.153 2.751) 5.930 13.338 ( 1.765 -0.048 -5.706) 5.973 13.871 ( 1.364 -2.185 3.503) 4.348 14.222 ( -2.253 -1.273 -3.143) 4.071 ======================= Grid point 758 (380/398) ======================= q-point: (-0.33 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( -1.007 3.463 4.032) 5.409 2.999 ( 1.256 7.912 -3.550) 8.763 4.017 ( 0.488 2.158 5.084) 5.545 4.170 ( 3.910 2.236 -7.588) 8.824 4.514 ( 11.277 -1.250 17.663) 20.993 5.450 ( -7.889 -3.507 -3.797) 9.431 6.249 ( 1.401 2.349 7.099) 7.607 6.863 ( -8.312 2.753 -11.944) 14.809 7.515 ( 3.684 -6.571 0.138) 7.534 7.680 ( -3.299 -4.295 2.853) 6.121 11.386 ( 0.083 2.536 -2.787) 3.769 11.402 ( -0.196 0.797 -1.965) 2.130 11.774 ( 0.427 -1.155 4.205) 4.381 11.833 ( -0.221 1.911 0.043) 1.924 13.029 ( 4.912 -0.433 4.142) 6.440 13.304 ( 0.489 0.569 -5.449) 5.500 13.927 ( 2.000 0.843 3.277) 3.931 14.169 ( -2.876 0.687 -3.387) 4.496 ======================= Grid point 759 (381/398) ======================= q-point: (-0.25 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -3.506 6.260 12.347) 14.281 2.965 ( 4.258 0.598 -10.281) 11.143 3.993 ( -3.917 5.436 10.529) 12.480 4.081 ( 2.547 4.273 -11.009) 12.081 4.844 ( 15.333 -1.903 13.462) 20.492 5.318 ( -8.896 0.792 -7.913) 11.932 6.243 ( 2.446 10.483 11.895) 16.043 6.595 ( -9.468 6.356 -13.034) 17.319 7.697 ( 3.445 -11.606 0.687) 12.126 7.773 ( -2.193 -10.982 0.445) 11.208 11.305 ( 0.329 7.119 -0.370) 7.136 11.328 ( -0.220 6.404 -2.137) 6.755 11.821 ( -1.896 -2.000 4.318) 5.123 11.835 ( 1.328 -2.157 -2.553) 3.596 13.129 ( 3.855 -0.996 4.372) 5.914 13.256 ( -0.681 0.419 -4.589) 4.658 13.950 ( 2.655 3.355 3.244) 5.370 14.078 ( -3.259 2.911 -3.606) 5.665 ======================= Grid point 760 (382/398) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 3.027 1.344 -14.803) 15.169 2.901 ( -3.027 1.344 14.803) 15.169 3.956 ( 7.849 5.328 -18.365) 20.671 3.956 ( -7.849 5.328 18.365) 20.671 5.103 ( -9.214 2.030 -10.789) 14.333 5.103 ( 9.214 2.030 10.789) 14.333 6.247 ( -8.519 11.086 -15.038) 20.533 6.247 ( 8.519 11.086 15.038) 20.533 7.922 ( -0.065 -13.452 -2.999) 13.783 7.922 ( 0.065 -13.452 2.999) 13.783 11.198 ( 0.512 8.656 -2.970) 9.166 11.198 ( -0.512 8.656 2.970) 9.166 11.861 ( 5.919 -2.108 -8.572) 10.628 11.861 ( -5.919 -2.108 8.572) 10.628 13.206 ( -1.992 -0.090 -3.356) 3.904 13.206 ( 1.992 -0.090 3.356) 3.904 13.955 ( -3.310 4.458 -3.537) 6.584 13.955 ( 3.310 4.458 3.537) 6.584 ======================= Grid point 766 (383/398) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 16.274 -0.000 -6.638) 17.576 3.321 ( 15.397 -0.000 -25.562) 29.841 3.358 ( 3.738 -0.000 -0.011) 3.738 3.499 ( -7.357 0.000 17.789) 19.250 4.891 ( -8.355 0.000 14.841) 17.031 5.007 ( 0.772 -0.000 2.603) 2.715 5.476 ( 9.099 -0.000 -11.601) 14.744 7.300 ( -1.709 0.000 -7.011) 7.216 8.096 ( -4.338 0.000 -1.103) 4.476 8.198 ( -5.409 0.000 2.912) 6.143 11.038 ( 3.964 -0.000 4.447) 5.957 11.088 ( 0.133 -0.000 -0.126) 0.184 11.839 ( 3.636 -0.000 -15.997) 16.405 12.082 ( -6.441 0.000 16.276) 17.505 12.916 ( 1.688 -0.000 0.088) 1.691 13.205 ( 6.781 -0.000 -4.764) 8.287 13.545 ( -3.493 0.000 3.776) 5.144 14.147 ( 2.058 -0.000 -2.350) 3.124 ======================= Grid point 767 (384/398) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 16.392 -2.502 0.940) 16.608 3.394 ( 16.329 -8.648 -22.891) 29.418 3.400 ( 5.117 0.495 -0.208) 5.145 3.609 ( -3.257 -2.950 18.395) 18.913 4.894 ( -4.578 3.600 11.365) 12.770 5.040 ( -5.859 -4.344 6.948) 10.074 5.490 ( 7.964 -0.724 -12.248) 14.627 7.196 ( -7.899 -3.806 -10.219) 13.465 8.001 ( -2.027 6.694 -0.342) 7.002 8.132 ( -4.761 3.788 2.931) 6.753 11.103 ( 0.091 -2.095 -0.230) 2.110 11.130 ( 2.443 -2.475 3.472) 4.914 11.775 ( 5.030 0.475 -12.517) 13.498 12.104 ( -7.887 0.928 14.020) 16.113 12.943 ( 3.879 1.428 0.459) 4.159 13.257 ( 7.352 -0.972 -6.719) 10.007 13.559 ( -2.144 -2.458 4.831) 5.829 14.153 ( 0.644 -1.717 -3.757) 4.180 ======================= Grid point 768 (385/398) ======================= q-point: ( 0.42 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 12.756 -3.186 3.952) 13.729 3.443 ( 3.773 -1.328 -5.453) 6.763 3.607 ( 16.427 -12.182 -16.933) 26.552 3.768 ( 2.980 0.434 19.626) 19.855 4.792 ( -6.652 11.336 8.484) 15.644 5.130 ( -8.337 -10.188 10.130) 16.611 5.545 ( 8.074 -7.005 -10.659) 15.096 7.069 ( -11.410 -7.086 -11.386) 17.608 7.859 ( 0.283 10.895 -0.540) 10.912 8.019 ( -4.509 7.104 3.244) 9.018 11.147 ( 0.042 -4.130 -0.172) 4.134 11.210 ( -0.259 -4.259 0.983) 4.379 11.764 ( 7.911 1.144 -8.215) 11.462 12.080 ( -7.932 2.449 11.870) 14.485 12.974 ( 4.833 2.517 0.778) 5.504 13.302 ( 5.894 -1.285 -7.548) 9.662 13.635 ( -0.377 -4.635 5.186) 6.965 14.153 ( -0.770 -2.918 -4.377) 5.317 ======================= Grid point 769 (386/398) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 9.026 -1.837 3.348) 9.801 3.420 ( -0.622 2.159 -5.203) 5.667 3.825 ( 12.999 -8.417 -12.925) 20.171 4.001 ( 11.930 -0.368 15.855) 19.845 4.593 ( -9.364 10.106 9.594) 16.788 5.229 ( -7.734 -8.441 5.406) 12.660 5.744 ( 7.203 -14.578 -3.333) 16.598 6.941 ( -12.721 -8.256 -11.550) 19.063 7.701 ( 2.416 12.212 -0.955) 12.485 7.877 ( -4.545 8.284 3.533) 10.088 11.215 ( -0.321 -5.660 -0.226) 5.673 11.265 ( -1.512 -5.423 -1.320) 5.783 11.798 ( 9.161 2.300 -5.111) 10.740 12.029 ( -6.782 3.849 10.210) 12.848 13.005 ( 4.892 2.665 1.636) 5.806 13.319 ( 3.659 -1.037 -7.579) 8.479 13.752 ( 0.966 -5.267 5.014) 7.335 14.149 ( -1.854 -3.366 -4.389) 5.833 ======================= Grid point 770 (387/398) ======================= q-point: ( 0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 6.636 1.061 0.687) 6.755 3.287 ( -3.745 7.680 -2.485) 8.898 3.984 ( 10.574 -4.463 -7.563) 13.745 4.223 ( 4.604 1.242 6.234) 7.849 4.513 ( 1.961 2.037 13.658) 13.947 5.262 ( -9.406 -7.446 1.345) 12.072 6.043 ( 6.745 -14.137 2.429) 15.851 6.810 ( -12.169 -7.168 -11.415) 18.159 7.574 ( 4.156 9.445 -1.117) 10.380 7.736 ( -4.820 6.827 3.451) 9.041 11.291 ( -0.992 -6.085 -0.006) 6.165 11.313 ( -0.713 -5.484 -2.610) 6.115 11.831 ( 7.879 3.448 -3.652) 9.343 11.961 ( -5.373 5.001 8.138) 10.959 13.050 ( 4.512 1.741 3.281) 5.844 13.305 ( 1.435 -0.439 -7.083) 7.241 13.875 ( 1.771 -4.098 4.546) 6.371 14.134 ( -2.497 -2.891 -4.160) 5.648 ======================= Grid point 771 (388/398) ======================= q-point: (-0.33 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 4.901 3.479 -2.133) 6.377 3.108 ( -4.231 8.500 1.406) 9.598 4.081 ( 4.871 0.124 -0.645) 4.915 4.190 ( -2.867 3.015 -0.916) 4.260 4.764 ( 14.235 -3.242 12.830) 19.436 5.223 ( -11.713 -6.154 -3.590) 13.710 6.314 ( 6.248 -6.574 6.948) 11.425 6.664 ( -9.814 -3.439 -11.180) 15.269 7.535 ( 4.886 2.284 -1.012) 5.487 7.631 ( -4.893 2.024 2.540) 5.872 11.355 ( -1.572 -3.933 1.107) 4.378 11.360 ( 0.880 -3.825 -3.241) 5.090 11.835 ( 4.759 3.548 -2.296) 6.364 11.882 ( -3.683 4.866 4.759) 7.739 13.118 ( 3.675 0.393 4.956) 6.182 13.260 ( -0.550 -0.010 -6.367) 6.391 13.976 ( 2.290 -1.702 4.040) 4.946 14.102 ( -2.752 -1.390 -3.934) 4.998 ======================= Grid point 772 (389/398) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 6.025 4.891 -10.082) 12.723 2.988 ( -6.025 4.891 10.082) 12.723 4.097 ( 1.297 3.915 -7.147) 8.251 4.097 ( -1.297 3.915 7.147) 8.251 5.082 ( -13.434 -3.463 -9.987) 17.094 5.082 ( 13.434 -3.463 9.987) 17.094 6.483 ( -6.159 3.053 -11.279) 13.209 6.483 ( 6.159 3.053 11.279) 13.209 7.613 ( 0.175 -5.829 -1.930) 6.143 7.613 ( -0.175 -5.829 1.930) 6.143 11.373 ( -0.125 1.331 -0.670) 1.496 11.373 ( 0.125 1.331 0.670) 1.496 11.823 ( 0.783 1.326 -2.238) 2.717 11.823 ( -0.783 1.326 2.238) 2.717 13.198 ( -1.885 -0.240 -5.860) 6.161 13.198 ( 1.885 -0.240 5.860) 6.161 14.042 ( -2.734 0.947 -3.735) 4.725 14.042 ( 2.734 0.947 3.735) 4.725 ======================= Grid point 780 (390/398) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 13.404 -0.000 5.748) 14.585 3.343 ( 12.587 -0.000 -19.450) 23.168 3.477 ( 11.522 -0.000 -6.035) 13.007 3.757 ( 1.397 -0.000 25.628) 25.666 4.927 ( -6.412 0.000 13.465) 14.914 4.991 ( -5.682 0.000 1.763) 5.950 5.488 ( 6.552 -0.000 -10.864) 12.687 6.944 ( -12.617 0.000 -12.978) 18.101 8.027 ( -1.468 0.000 0.238) 1.487 8.128 ( -3.766 0.000 2.426) 4.479 11.086 ( 0.210 -0.000 -0.526) 0.567 11.148 ( -0.081 0.000 1.379) 1.382 11.778 ( 8.267 -0.000 -8.374) 11.768 12.113 ( -8.652 0.000 13.315) 15.879 13.012 ( 4.292 -0.000 1.000) 4.407 13.284 ( 7.658 -0.000 -9.322) 12.065 13.562 ( -1.073 0.000 5.992) 6.088 14.106 ( -0.489 0.000 -5.093) 5.116 ======================= Grid point 781 (391/398) ======================= q-point: ( 0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 8.759 -1.255 7.707) 11.735 3.371 ( 5.821 -4.290 -13.630) 15.429 3.615 ( 17.619 -2.545 -9.880) 20.360 4.006 ( 5.817 -0.054 25.427) 26.084 4.865 ( -9.451 6.052 2.982) 11.613 5.001 ( -5.860 -6.146 11.134) 14.003 5.500 ( 7.281 -2.219 -9.443) 12.128 6.709 ( -14.897 -5.931 -13.888) 21.213 7.976 ( -0.157 5.509 -0.099) 5.512 8.072 ( -3.590 4.133 2.306) 5.940 11.100 ( 0.125 -2.135 -0.594) 2.220 11.153 ( -1.695 -2.099 -0.438) 2.734 11.839 ( 10.453 0.710 -5.724) 11.938 12.099 ( -8.371 1.165 12.697) 15.253 13.063 ( 3.708 1.014 1.338) 4.071 13.296 ( 5.889 -0.391 -10.057) 11.661 13.627 ( 0.570 -2.658 6.267) 6.832 14.065 ( -1.533 -1.844 -5.522) 6.021 ======================= Grid point 782 (392/398) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 6.172 -1.214 7.337) 9.664 3.371 ( 0.648 -1.807 -8.936) 9.140 3.812 ( 18.114 -4.676 -11.077) 21.742 4.249 ( 3.547 0.788 18.238) 18.596 4.670 ( -6.980 7.570 5.834) 11.835 5.087 ( -6.068 -5.274 5.185) 9.566 5.640 ( 8.583 -10.785 -1.564) 13.872 6.534 ( -15.157 -10.344 -13.508) 22.786 7.874 ( 1.669 9.152 -0.914) 9.347 7.961 ( -3.807 7.284 2.516) 8.595 11.139 ( -0.371 -3.960 -0.299) 3.988 11.168 ( -1.385 -3.925 -1.333) 4.370 11.910 ( 10.276 1.905 -5.419) 11.773 12.069 ( -7.558 2.470 11.554) 14.026 13.101 ( 3.128 1.314 2.329) 4.115 13.286 ( 3.273 -0.651 -9.000) 9.599 13.740 ( 1.733 -4.331 5.888) 7.512 14.036 ( -2.280 -3.255 -5.383) 6.691 ======================= Grid point 783 (393/398) ======================= q-point: ( 0.58 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 5.425 1.571 4.684) 7.337 3.294 ( -2.955 2.928 -5.127) 6.602 4.006 ( 15.815 -3.897 -9.840) 19.030 4.251 ( -12.468 2.075 8.497) 15.230 4.713 ( 10.916 0.546 9.768) 14.658 5.068 ( -9.516 -3.643 -0.590) 10.207 5.969 ( 10.066 -14.711 5.936) 18.787 6.417 ( -13.712 -11.976 -11.995) 21.802 7.755 ( 3.467 10.103 -1.726) 10.819 7.816 ( -4.202 8.680 2.662) 10.004 11.199 ( -0.921 -5.333 0.842) 5.477 11.212 ( -0.125 -5.233 -2.107) 5.643 11.946 ( 8.646 3.319 -6.094) 11.086 12.017 ( -6.935 3.777 9.337) 12.229 13.144 ( 2.554 0.988 4.106) 4.936 13.256 ( 0.690 -0.350 -7.216) 7.257 13.874 ( 2.292 -4.592 5.264) 7.352 14.017 ( -2.627 -3.885 -5.028) 6.876 ======================= Grid point 784 (394/398) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 1.716 5.457 -7.006) 9.045 3.152 ( -1.716 5.457 7.006) 9.045 4.145 ( 10.427 -0.534 -5.575) 11.836 4.145 ( -10.427 -0.534 5.575) 11.836 4.956 ( -13.210 -3.907 -5.847) 14.965 4.956 ( 13.210 -3.907 5.847) 14.965 6.350 ( -10.653 -11.105 -9.263) 17.962 6.350 ( 10.653 -11.105 9.263) 17.962 7.660 ( 3.436 7.628 -2.189) 8.647 7.660 ( -3.436 7.628 2.189) 8.647 11.279 ( 1.337 -5.671 -2.698) 6.421 11.279 ( -1.337 -5.671 2.698) 6.421 11.934 ( 6.398 4.631 -6.427) 10.183 11.934 ( -6.398 4.631 6.427) 10.183 13.200 ( -1.067 0.310 -6.376) 6.472 13.200 ( 1.067 0.310 6.376) 6.472 14.001 ( -2.563 -3.426 -4.579) 6.267 14.001 ( 2.563 -3.426 4.579) 6.267 ======================= Grid point 794 (395/398) ======================= q-point: ( 0.42 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 3.982 -0.000 10.158) 10.910 3.299 ( 5.232 -0.000 -14.451) 15.369 3.773 ( 20.455 -0.000 -7.892) 21.925 4.265 ( 2.150 -0.000 24.208) 24.303 4.805 ( -7.728 0.000 1.944) 7.969 4.978 ( -4.487 0.000 9.551) 10.552 5.508 ( 7.612 -0.000 -7.261) 10.520 6.352 ( -16.699 0.000 -14.782) 22.302 8.013 ( 0.147 -0.000 0.012) 0.147 8.078 ( -2.886 0.000 1.517) 3.261 11.081 ( 0.253 -0.000 -0.940) 0.974 11.110 ( -1.921 0.000 -0.463) 1.976 11.938 ( 11.184 -0.000 -5.882) 12.637 12.104 ( -8.439 0.000 13.094) 15.579 13.117 ( 1.943 -0.000 2.374) 3.068 13.277 ( 4.415 -0.000 -10.740) 11.612 13.673 ( 1.804 -0.000 6.555) 6.799 13.984 ( -2.142 0.000 -5.859) 6.239 ======================= Grid point 795 (396/398) ======================= q-point: ( 0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 1.719 -1.836 10.761) 11.051 3.265 ( 2.077 -2.761 -12.438) 12.909 3.968 ( 21.106 0.944 -7.543) 22.433 4.326 ( -14.202 2.176 11.945) 18.685 4.788 ( 5.260 3.421 7.364) 9.675 5.000 ( -5.292 -1.925 3.082) 6.420 5.628 ( 10.419 -6.804 1.250) 12.506 6.095 ( -16.065 -8.073 -13.341) 22.389 7.986 ( 1.345 4.685 -0.555) 4.906 8.022 ( -2.677 4.411 1.338) 5.330 11.091 ( 0.112 -1.966 -0.559) 2.047 11.103 ( -1.122 -2.071 -0.376) 2.385 12.012 ( 10.270 1.238 -7.561) 12.813 12.088 ( -8.436 1.261 11.859) 14.608 13.157 ( 0.823 0.009 4.170) 4.250 13.243 ( 2.244 -0.361 -8.939) 9.224 13.766 ( 2.487 -2.236 6.194) 7.039 13.924 ( -2.564 -1.973 -5.829) 6.666 ======================= Grid point 796 (397/398) ======================= q-point: ( 0.58 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( -0.722 -1.367 -9.935) 10.055 3.217 ( 0.722 -1.367 9.935) 10.055 4.140 ( 12.430 1.583 -7.724) 14.719 4.140 ( -12.430 1.583 7.724) 14.719 4.909 ( -8.598 0.424 -5.485) 10.208 4.909 ( 8.598 0.424 5.485) 10.208 5.976 ( -12.945 -12.918 -10.343) 21.011 5.976 ( 12.945 -12.918 10.343) 21.011 7.911 ( 2.416 7.922 -1.800) 8.475 7.911 ( -2.416 7.922 1.800) 8.475 11.134 ( 0.867 -3.839 -1.842) 4.345 11.134 ( -0.867 -3.839 1.842) 4.345 12.037 ( 8.680 2.504 -9.506) 13.114 12.037 ( -8.680 2.504 9.506) 13.114 13.204 ( 0.330 -0.156 -6.499) 6.510 13.204 ( -0.330 -0.156 6.499) 6.510 13.887 ( -2.653 -3.660 -5.672) 7.253 13.887 ( 2.653 -3.660 5.672) 7.253 ======================= Grid point 809 (398/398) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 1.288 -0.000 -12.710) 12.776 3.168 ( -1.288 0.000 12.710) 12.776 4.188 ( 20.725 -0.000 -7.353) 21.991 4.188 ( -20.725 0.000 7.353) 21.991 4.932 ( -6.317 0.000 -1.477) 6.488 4.932 ( 6.317 -0.000 1.477) 6.488 5.756 ( -14.243 0.000 -7.641) 16.163 5.756 ( 14.243 -0.000 7.641) 16.163 8.034 ( -1.799 0.000 0.554) 1.882 8.034 ( 1.799 -0.000 -0.554) 1.882 11.078 ( 0.800 -0.000 -0.705) 1.066 11.078 ( -0.800 0.000 0.705) 1.066 12.074 ( 9.526 -0.000 -10.457) 14.145 12.074 ( -9.526 0.000 10.457) 14.145 13.198 ( 0.868 -0.000 -6.886) 6.941 13.198 ( -0.868 0.000 6.886) 6.941 13.831 ( -2.712 0.000 -6.063) 6.642 13.831 ( 2.712 -0.000 6.063) 6.642 =================== 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 3/25920 10.0 1857.788 1386.206 1072.681 0.000 -414.042 -0.000 3/25920 20.0 1177.594 1170.067 1198.705 0.000 -459.484 -0.000 3/25920 30.0 551.939 718.698 680.165 0.000 -279.429 -0.000 3/25920 40.0 324.103 465.452 426.723 0.000 -174.912 -0.000 3/25920 50.0 222.631 336.786 304.284 0.000 -121.494 -0.000 3/25920 60.0 168.748 262.945 236.119 0.000 -91.029 -0.000 3/25920 70.0 135.752 214.726 192.664 0.000 -71.570 -0.000 3/25920 80.0 113.445 180.607 162.340 0.000 -58.242 -0.000 3/25920 90.0 97.328 155.256 139.927 0.000 -48.692 -0.000 3/25920 100.0 85.134 135.777 122.710 0.000 -41.611 -0.000 3/25920 110.0 75.598 120.423 109.112 0.000 -36.209 -0.000 3/25920 120.0 67.949 108.069 98.140 0.000 -31.987 -0.000 3/25920 130.0 61.691 97.955 89.131 0.000 -28.616 -0.000 3/25920 140.0 56.486 89.548 81.622 0.000 -25.876 -0.000 3/25920 150.0 52.095 82.466 75.282 0.000 -23.611 -0.000 3/25920 160.0 48.345 76.431 69.865 0.000 -21.713 -0.000 3/25920 170.0 45.109 71.231 65.190 0.000 -20.101 -0.000 3/25920 180.0 42.288 66.709 61.116 0.000 -18.717 -0.000 3/25920 190.0 39.809 62.742 57.536 0.000 -17.517 -0.000 3/25920 200.0 37.614 59.235 54.366 0.000 -16.466 -0.000 3/25920 210.0 35.656 56.113 51.539 0.000 -15.539 -0.000 3/25920 220.0 33.899 53.316 49.003 0.000 -14.715 -0.000 3/25920 230.0 32.313 50.795 46.715 0.000 -13.977 -0.000 3/25920 240.0 30.874 48.511 44.639 0.000 -13.313 -0.000 3/25920 250.0 29.563 46.432 42.748 0.000 -12.712 -0.000 3/25920 260.0 28.363 44.531 41.016 0.000 -12.166 -0.000 3/25920 270.0 27.260 42.785 39.426 0.000 -11.667 -0.000 3/25920 280.0 26.242 41.177 37.958 0.000 -11.208 -0.000 3/25920 290.0 25.301 39.691 36.601 0.000 -10.787 -0.000 3/25920 300.0 24.427 38.312 35.340 0.000 -10.397 -0.000 3/25920 310.0 23.614 37.029 34.167 0.000 -10.035 -0.000 3/25920 320.0 22.855 35.833 33.072 0.000 -9.699 -0.000 3/25920 330.0 22.145 34.714 32.048 0.000 -9.386 -0.000 3/25920 340.0 21.479 33.665 31.087 0.000 -9.093 -0.000 3/25920 350.0 20.853 32.681 30.185 0.000 -8.819 -0.000 3/25920 360.0 20.264 31.754 29.334 0.000 -8.561 -0.000 3/25920 370.0 19.708 30.880 28.532 0.000 -8.319 -0.000 3/25920 380.0 19.182 30.054 27.774 0.000 -8.090 -0.000 3/25920 390.0 18.685 29.273 27.057 0.000 -7.874 -0.000 3/25920 400.0 18.213 28.532 26.376 0.000 -7.670 -0.000 3/25920 410.0 17.766 27.830 25.730 0.000 -7.476 -0.000 3/25920 420.0 17.340 27.162 25.116 0.000 -7.293 -0.000 3/25920 430.0 16.935 26.526 24.531 0.000 -7.118 -0.000 3/25920 440.0 16.548 25.920 23.973 0.000 -6.952 -0.000 3/25920 450.0 16.180 25.341 23.441 0.000 -6.794 -0.000 3/25920 460.0 15.827 24.789 22.932 0.000 -6.643 -0.000 3/25920 470.0 15.491 24.261 22.446 0.000 -6.498 -0.000 3/25920 480.0 15.168 23.755 21.980 0.000 -6.360 -0.000 3/25920 490.0 14.859 23.271 21.534 0.000 -6.228 -0.000 3/25920 500.0 14.562 22.806 21.105 0.000 -6.102 -0.000 3/25920 510.0 14.278 22.360 20.694 0.000 -5.980 -0.000 3/25920 520.0 14.004 21.931 20.299 0.000 -5.864 -0.000 3/25920 530.0 13.741 21.519 19.919 0.000 -5.752 -0.000 3/25920 540.0 13.488 21.122 19.553 0.000 -5.644 -0.000 3/25920 550.0 13.244 20.740 19.200 0.000 -5.540 -0.000 3/25920 560.0 13.009 20.372 18.861 0.000 -5.440 -0.000 3/25920 570.0 12.782 20.017 18.533 0.000 -5.344 -0.000 3/25920 580.0 12.563 19.674 18.217 0.000 -5.251 -0.000 3/25920 590.0 12.352 19.343 17.911 0.000 -5.162 -0.000 3/25920 600.0 12.147 19.024 17.616 0.000 -5.075 -0.000 3/25920 610.0 11.950 18.714 17.330 0.000 -4.992 -0.000 3/25920 620.0 11.759 18.415 17.054 0.000 -4.911 -0.000 3/25920 630.0 11.573 18.125 16.786 0.000 -4.833 -0.000 3/25920 640.0 11.394 17.845 16.527 0.000 -4.757 -0.000 3/25920 650.0 11.221 17.573 16.276 0.000 -4.684 -0.000 3/25920 660.0 11.052 17.309 16.032 0.000 -4.613 -0.000 3/25920 670.0 10.889 17.054 15.796 0.000 -4.544 -0.000 3/25920 680.0 10.730 16.805 15.567 0.000 -4.477 -0.000 3/25920 690.0 10.576 16.565 15.344 0.000 -4.412 -0.000 3/25920 700.0 10.427 16.330 15.128 0.000 -4.349 -0.000 3/25920 710.0 10.281 16.103 14.918 0.000 -4.288 -0.000 3/25920 720.0 10.140 15.882 14.713 0.000 -4.229 -0.000 3/25920 730.0 10.003 15.667 14.514 0.000 -4.171 -0.000 3/25920 740.0 9.869 15.458 14.321 0.000 -4.115 -0.000 3/25920 750.0 9.739 15.254 14.133 0.000 -4.060 -0.000 3/25920 760.0 9.612 15.056 13.949 0.000 -4.007 -0.000 3/25920 770.0 9.489 14.862 13.770 0.000 -3.955 -0.000 3/25920 780.0 9.368 14.674 13.596 0.000 -3.904 -0.000 3/25920 790.0 9.251 14.491 13.427 0.000 -3.855 -0.000 3/25920 800.0 9.137 14.312 13.261 0.000 -3.807 -0.000 3/25920 810.0 9.025 14.137 13.100 0.000 -3.760 -0.000 3/25920 820.0 8.916 13.967 12.942 0.000 -3.715 -0.000 3/25920 830.0 8.810 13.801 12.789 0.000 -3.670 -0.000 3/25920 840.0 8.707 13.639 12.639 0.000 -3.627 -0.000 3/25920 850.0 8.605 13.480 12.492 0.000 -3.584 -0.000 3/25920 860.0 8.506 13.326 12.349 0.000 -3.543 -0.000 3/25920 870.0 8.410 13.175 12.209 0.000 -3.502 -0.000 3/25920 880.0 8.315 13.027 12.072 0.000 -3.463 -0.000 3/25920 890.0 8.223 12.882 11.939 0.000 -3.424 -0.000 3/25920 900.0 8.133 12.741 11.808 0.000 -3.386 -0.000 3/25920 910.0 8.044 12.603 11.680 0.000 -3.349 -0.000 3/25920 920.0 7.958 12.468 11.555 0.000 -3.313 -0.000 3/25920 930.0 7.874 12.335 11.432 0.000 -3.278 -0.000 3/25920 940.0 7.791 12.206 11.312 0.000 -3.243 -0.000 3/25920 950.0 7.710 12.079 11.195 0.000 -3.209 -0.000 3/25920 960.0 7.630 11.955 11.080 0.000 -3.176 -0.000 3/25920 970.0 7.553 11.833 10.968 0.000 -3.143 -0.000 3/25920 980.0 7.477 11.714 10.857 0.000 -3.111 -0.000 3/25920 990.0 7.402 11.597 10.749 0.000 -3.080 -0.000 3/25920 1000.0 7.329 11.483 10.643 0.000 -3.050 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m121210.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:57:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|