----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:32:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-62c (190) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.589752321646070 0.000000000000000 0.000000000000000 b -2.294876160823035 3.974842107624103 0.000000000000000 c 0.000000000000000 0.000000000000000 8.910075700000000 Atomic positions (fractional): *1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 2 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 *3 Be 0.33333333333333 0.66666666666667 0.42892965984320 9.012 4 Be 0.33333333333333 0.66666666666667 0.07107034015680 9.012 5 Be 0.66666666666667 0.33333333333333 0.57107034015680 9.012 6 Be 0.66666666666667 0.33333333333333 0.92892965984320 9.012 *7 O 0.66494401058775 0.66494401058775 0.50000000000000 15.999 8 O 0.33505598941225 0.00000000000000 0.00000000000000 15.999 *9 O 0.66666666666667 0.33333333333333 0.75000000000000 15.999 10 O 0.33333333333333 0.66666666666667 0.25000000000000 15.999 11 O 0.66494401058775 0.66494401058775 0.00000000000000 15.999 12 O 0.33505598941225 0.00000000000000 0.50000000000000 15.999 13 O 0.00000000000000 0.33505598941225 0.50000000000000 15.999 14 O 0.00000000000000 0.33505598941225 0.00000000000000 15.999 *15 Sr 0.66666666666667 0.33333333333333 0.25000000000000 87.620 16 Sr 0.33333333333333 0.66666666666667 0.75000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.589752321646070 0.000000000000000 0.000000000000000 b -2.294876160823035 3.974842107624103 0.000000000000000 c 0.000000000000000 0.000000000000000 8.910075700000000 Atomic positions (fractional): *1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 1 2 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 > 2 *3 Be 0.33333333333333 0.66666666666667 0.42892965984320 9.012 > 3 4 Be 0.33333333333333 0.66666666666667 0.07107034015680 9.012 > 4 5 Be 0.66666666666667 0.33333333333333 0.57107034015680 9.012 > 5 6 Be 0.66666666666667 0.33333333333333 0.92892965984320 9.012 > 6 *7 O 0.66494401058775 0.66494401058775 0.50000000000000 15.999 > 7 8 O 0.33505598941225 0.00000000000000 0.00000000000000 15.999 > 8 *9 O 0.66666666666667 0.33333333333333 0.75000000000000 15.999 > 9 10 O 0.33333333333333 0.66666666666667 0.25000000000000 15.999 > 10 11 O 0.66494401058775 0.66494401058775 0.00000000000000 15.999 > 11 12 O 0.33505598941225 0.00000000000000 0.50000000000000 15.999 > 12 13 O 0.00000000000000 0.33505598941225 0.50000000000000 15.999 > 13 14 O 0.00000000000000 0.33505598941225 0.00000000000000 15.999 > 14 *15 Sr 0.66666666666667 0.33333333333333 0.25000000000000 87.620 > 15 16 Sr 0.33333333333333 0.66666666666667 0.75000000000000 87.620 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.179504643292139 0.000000000000000 0.000000000000000 b -4.589752321646070 7.949684215248206 0.000000000000000 c 0.000000000000000 0.000000000000000 17.820151400000000 Atomic positions (fractional): *1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 1 2 Be 0.50000000000000 0.00000000000000 0.00000000000000 9.012 > 1 3 Be 0.00000000000000 0.50000000000000 0.00000000000000 9.012 > 1 4 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 1 5 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 > 1 6 Be 0.50000000000000 0.00000000000000 0.50000000000000 9.012 > 1 7 Be 0.00000000000000 0.50000000000000 0.50000000000000 9.012 > 1 8 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 1 9 Be 0.00000000000000 0.00000000000000 0.25000000000000 9.012 > 2 10 Be 0.50000000000000 0.00000000000000 0.25000000000000 9.012 > 2 11 Be 0.00000000000000 0.50000000000000 0.25000000000000 9.012 > 2 12 Be 0.50000000000000 0.50000000000000 0.25000000000000 9.012 > 2 13 Be 0.00000000000000 0.00000000000000 0.75000000000000 9.012 > 2 14 Be 0.50000000000000 0.00000000000000 0.75000000000000 9.012 > 2 15 Be 0.00000000000000 0.50000000000000 0.75000000000000 9.012 > 2 16 Be 0.50000000000000 0.50000000000000 0.75000000000000 9.012 > 2 *17 Be 0.16666666666667 0.33333333333333 0.21446482992160 9.012 > 3 18 Be 0.66666666666667 0.33333333333333 0.21446482992160 9.012 > 3 19 Be 0.16666666666667 0.83333333333333 0.21446482992160 9.012 > 3 20 Be 0.66666666666667 0.83333333333333 0.21446482992160 9.012 > 3 21 Be 0.16666666666667 0.33333333333333 0.71446482992160 9.012 > 3 22 Be 0.66666666666667 0.33333333333333 0.71446482992160 9.012 > 3 23 Be 0.16666666666667 0.83333333333333 0.71446482992160 9.012 > 3 24 Be 0.66666666666667 0.83333333333333 0.71446482992160 9.012 > 3 25 Be 0.16666666666667 0.33333333333333 0.03553517007840 9.012 > 4 26 Be 0.66666666666667 0.33333333333333 0.03553517007840 9.012 > 4 27 Be 0.16666666666667 0.83333333333333 0.03553517007840 9.012 > 4 28 Be 0.66666666666667 0.83333333333333 0.03553517007840 9.012 > 4 29 Be 0.16666666666667 0.33333333333333 0.53553517007840 9.012 > 4 30 Be 0.66666666666667 0.33333333333333 0.53553517007840 9.012 > 4 31 Be 0.16666666666667 0.83333333333333 0.53553517007840 9.012 > 4 32 Be 0.66666666666667 0.83333333333333 0.53553517007840 9.012 > 4 33 Be 0.33333333333333 0.16666666666667 0.28553517007840 9.012 > 5 34 Be 0.83333333333333 0.16666666666667 0.28553517007840 9.012 > 5 35 Be 0.33333333333333 0.66666666666667 0.28553517007840 9.012 > 5 36 Be 0.83333333333333 0.66666666666667 0.28553517007840 9.012 > 5 37 Be 0.33333333333333 0.16666666666667 0.78553517007840 9.012 > 5 38 Be 0.83333333333333 0.16666666666667 0.78553517007840 9.012 > 5 39 Be 0.33333333333333 0.66666666666667 0.78553517007840 9.012 > 5 40 Be 0.83333333333333 0.66666666666667 0.78553517007840 9.012 > 5 41 Be 0.33333333333333 0.16666666666667 0.46446482992160 9.012 > 6 42 Be 0.83333333333333 0.16666666666667 0.46446482992160 9.012 > 6 43 Be 0.33333333333333 0.66666666666667 0.46446482992160 9.012 > 6 44 Be 0.83333333333333 0.66666666666667 0.46446482992160 9.012 > 6 45 Be 0.33333333333333 0.16666666666667 0.96446482992160 9.012 > 6 46 Be 0.83333333333333 0.16666666666667 0.96446482992160 9.012 > 6 47 Be 0.33333333333333 0.66666666666667 0.96446482992160 9.012 > 6 48 Be 0.83333333333333 0.66666666666667 0.96446482992160 9.012 > 6 *49 O 0.33247200529388 0.33247200529388 0.25000000000000 15.999 > 7 50 O 0.83247200529388 0.33247200529388 0.25000000000000 15.999 > 7 51 O 0.33247200529388 0.83247200529388 0.25000000000000 15.999 > 7 52 O 0.83247200529388 0.83247200529388 0.25000000000000 15.999 > 7 53 O 0.33247200529388 0.33247200529388 0.75000000000000 15.999 > 7 54 O 0.83247200529388 0.33247200529388 0.75000000000000 15.999 > 7 55 O 0.33247200529388 0.83247200529388 0.75000000000000 15.999 > 7 56 O 0.83247200529388 0.83247200529388 0.75000000000000 15.999 > 7 57 O 0.16752799470612 0.00000000000000 0.00000000000000 15.999 > 8 58 O 0.66752799470612 0.00000000000000 0.00000000000000 15.999 > 8 59 O 0.16752799470612 0.50000000000000 0.00000000000000 15.999 > 8 60 O 0.66752799470612 0.50000000000000 0.00000000000000 15.999 > 8 61 O 0.16752799470612 0.00000000000000 0.50000000000000 15.999 > 8 62 O 0.66752799470612 0.00000000000000 0.50000000000000 15.999 > 8 63 O 0.16752799470612 0.50000000000000 0.50000000000000 15.999 > 8 64 O 0.66752799470612 0.50000000000000 0.50000000000000 15.999 > 8 *65 O 0.33333333333333 0.16666666666667 0.37500000000000 15.999 > 9 66 O 0.83333333333333 0.16666666666667 0.37500000000000 15.999 > 9 67 O 0.33333333333333 0.66666666666667 0.37500000000000 15.999 > 9 68 O 0.83333333333333 0.66666666666667 0.37500000000000 15.999 > 9 69 O 0.33333333333333 0.16666666666667 0.87500000000000 15.999 > 9 70 O 0.83333333333333 0.16666666666667 0.87500000000000 15.999 > 9 71 O 0.33333333333333 0.66666666666667 0.87500000000000 15.999 > 9 72 O 0.83333333333333 0.66666666666667 0.87500000000000 15.999 > 9 73 O 0.16666666666667 0.33333333333333 0.12500000000000 15.999 > 10 74 O 0.66666666666667 0.33333333333333 0.12500000000000 15.999 > 10 75 O 0.16666666666667 0.83333333333333 0.12500000000000 15.999 > 10 76 O 0.66666666666667 0.83333333333333 0.12500000000000 15.999 > 10 77 O 0.16666666666667 0.33333333333333 0.62500000000000 15.999 > 10 78 O 0.66666666666667 0.33333333333333 0.62500000000000 15.999 > 10 79 O 0.16666666666667 0.83333333333333 0.62500000000000 15.999 > 10 80 O 0.66666666666667 0.83333333333333 0.62500000000000 15.999 > 10 81 O 0.33247200529388 0.33247200529388 0.00000000000000 15.999 > 11 82 O 0.83247200529388 0.33247200529388 0.00000000000000 15.999 > 11 83 O 0.33247200529388 0.83247200529388 0.00000000000000 15.999 > 11 84 O 0.83247200529388 0.83247200529388 0.00000000000000 15.999 > 11 85 O 0.33247200529388 0.33247200529388 0.50000000000000 15.999 > 11 86 O 0.83247200529388 0.33247200529388 0.50000000000000 15.999 > 11 87 O 0.33247200529388 0.83247200529388 0.50000000000000 15.999 > 11 88 O 0.83247200529388 0.83247200529388 0.50000000000000 15.999 > 11 89 O 0.16752799470612 0.00000000000000 0.25000000000000 15.999 > 12 90 O 0.66752799470612 0.00000000000000 0.25000000000000 15.999 > 12 91 O 0.16752799470612 0.50000000000000 0.25000000000000 15.999 > 12 92 O 0.66752799470612 0.50000000000000 0.25000000000000 15.999 > 12 93 O 0.16752799470612 0.00000000000000 0.75000000000000 15.999 > 12 94 O 0.66752799470612 0.00000000000000 0.75000000000000 15.999 > 12 95 O 0.16752799470612 0.50000000000000 0.75000000000000 15.999 > 12 96 O 0.66752799470612 0.50000000000000 0.75000000000000 15.999 > 12 97 O 0.00000000000000 0.16752799470612 0.25000000000000 15.999 > 13 98 O 0.50000000000000 0.16752799470612 0.25000000000000 15.999 > 13 99 O 0.00000000000000 0.66752799470612 0.25000000000000 15.999 > 13 100 O 0.50000000000000 0.66752799470612 0.25000000000000 15.999 > 13 101 O 0.00000000000000 0.16752799470612 0.75000000000000 15.999 > 13 102 O 0.50000000000000 0.16752799470612 0.75000000000000 15.999 > 13 103 O 0.00000000000000 0.66752799470612 0.75000000000000 15.999 > 13 104 O 0.50000000000000 0.66752799470612 0.75000000000000 15.999 > 13 105 O 0.00000000000000 0.16752799470612 0.00000000000000 15.999 > 14 106 O 0.50000000000000 0.16752799470612 0.00000000000000 15.999 > 14 107 O 0.00000000000000 0.66752799470612 0.00000000000000 15.999 > 14 108 O 0.50000000000000 0.66752799470612 0.00000000000000 15.999 > 14 109 O 0.00000000000000 0.16752799470612 0.50000000000000 15.999 > 14 110 O 0.50000000000000 0.16752799470612 0.50000000000000 15.999 > 14 111 O 0.00000000000000 0.66752799470612 0.50000000000000 15.999 > 14 112 O 0.50000000000000 0.66752799470612 0.50000000000000 15.999 > 14 *113 Sr 0.33333333333333 0.16666666666667 0.12500000000000 87.620 > 15 114 Sr 0.83333333333333 0.16666666666667 0.12500000000000 87.620 > 15 115 Sr 0.33333333333333 0.66666666666667 0.12500000000000 87.620 > 15 116 Sr 0.83333333333333 0.66666666666667 0.12500000000000 87.620 > 15 117 Sr 0.33333333333333 0.16666666666667 0.62500000000000 87.620 > 15 118 Sr 0.83333333333333 0.16666666666667 0.62500000000000 87.620 > 15 119 Sr 0.33333333333333 0.66666666666667 0.62500000000000 87.620 > 15 120 Sr 0.83333333333333 0.66666666666667 0.62500000000000 87.620 > 15 121 Sr 0.16666666666667 0.33333333333333 0.37500000000000 87.620 > 16 122 Sr 0.66666666666667 0.33333333333333 0.37500000000000 87.620 > 16 123 Sr 0.16666666666667 0.83333333333333 0.37500000000000 87.620 > 16 124 Sr 0.66666666666667 0.83333333333333 0.37500000000000 87.620 > 16 125 Sr 0.16666666666667 0.33333333333333 0.87500000000000 87.620 > 16 126 Sr 0.66666666666667 0.33333333333333 0.87500000000000 87.620 > 16 127 Sr 0.16666666666667 0.83333333333333 0.87500000000000 87.620 > 16 128 Sr 0.66666666666667 0.83333333333333 0.87500000000000 87.620 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1701153 0.0000000 0.0000000 0.0000000 3.1701153 0.0000000 0.0000000 0.0000000 3.2339796 -------------------------- Born effective charges -------------------------- 1 Be 2.0021873 -0.0000000 0.0000000 0.0000000 2.0021873 0.0000000 0.0000000 0.0000000 0.6701586 2 Be 2.0021873 -0.0000000 0.0000000 0.0000000 2.0021873 0.0000000 0.0000000 0.0000000 0.6701586 3 Be 1.6728262 -0.0224710 0.0000000 0.0224710 1.6728262 0.0000000 0.0000000 0.0000000 1.8582338 4 Be 1.6728262 -0.0224710 0.0000000 0.0224710 1.6728262 0.0000000 0.0000000 0.0000000 1.8582338 5 Be 1.6728262 0.0224710 0.0000000 -0.0224710 1.6728262 0.0000000 0.0000000 0.0000000 1.8582338 6 Be 1.6728262 0.0224710 0.0000000 -0.0224710 1.6728262 0.0000000 0.0000000 0.0000000 1.8582338 7 O -1.9880967 0.0184739 -0.1057700 0.0184739 -1.9667649 0.0610663 -0.1189075 0.0686512 -1.5683512 8 O -1.9560990 -0.0000000 0.0000000 0.0000000 -1.9987626 0.1221326 0.0000000 0.1373025 -1.5683512 9 O -1.6943543 -0.0087904 0.0000000 0.0087904 -1.6943543 0.0000000 0.0000000 0.0000000 -2.5085794 10 O -1.6943543 0.0087904 0.0000000 -0.0087904 -1.6943543 0.0000000 0.0000000 0.0000000 -2.5085794 11 O -1.9880967 0.0184739 0.1057700 0.0184739 -1.9667649 -0.0610663 0.1189075 -0.0686512 -1.5683512 12 O -1.9560990 -0.0000000 -0.0000000 0.0000000 -1.9987626 -0.1221326 0.0000000 -0.1373025 -1.5683512 13 O -1.9880967 -0.0184739 0.1057700 -0.0184739 -1.9667649 0.0610663 0.1189075 0.0686512 -1.5683512 14 O -1.9880967 -0.0184739 -0.1057700 -0.0184739 -1.9667649 -0.0610663 -0.1189075 -0.0686512 -1.5683512 15 Sr 2.2788070 0.0144057 0.0000000 -0.0144057 2.2788070 0.0000000 0.0000000 0.0000000 2.8270070 16 Sr 2.2788070 -0.0144057 0.0000000 0.0144057 2.2788070 0.0000000 0.0000000 0.0000000 2.8270070 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 836 Number of blocks in projector: 456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (836, 820), data: False |-- (132, 127), data: True |-- (300, 298), data: True |-- (404, 395), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.016 Solver_block: 100 / 160 - Time: 0.846 Solver_block: 160 / 160 - Time: 0.564 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.436 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 836 Number of blocks in projector: 456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (836, 820), data: False |-- (132, 127), data: True |-- (300, 298), data: True |-- (404, 395), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:32:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:32:59]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-62c (190) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.589752321646070 0.000000000000000 0.000000000000000 b -2.294876160823035 3.974842107624103 0.000000000000000 c 0.000000000000000 0.000000000000000 8.910075700000000 Atomic positions (fractional): 1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 2 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 3 Be 0.33333333333333 0.66666666666667 0.42892965984320 9.012 4 Be 0.33333333333333 0.66666666666667 0.07107034015680 9.012 5 Be 0.66666666666667 0.33333333333333 0.57107034015680 9.012 6 Be 0.66666666666667 0.33333333333333 0.92892965984320 9.012 7 O 0.66494401058775 0.66494401058775 0.50000000000000 15.999 8 O 0.33505598941225 0.00000000000000 0.00000000000000 15.999 9 O 0.66666666666667 0.33333333333333 0.75000000000000 15.999 10 O 0.33333333333333 0.66666666666667 0.25000000000000 15.999 11 O 0.66494401058775 0.66494401058775 0.00000000000000 15.999 12 O 0.33505598941225 0.00000000000000 0.50000000000000 15.999 13 O 0.00000000000000 0.33505598941225 0.50000000000000 15.999 14 O 0.00000000000000 0.33505598941225 0.00000000000000 15.999 15 Sr 0.66666666666667 0.33333333333333 0.25000000000000 87.620 16 Sr 0.33333333333333 0.66666666666667 0.75000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.179504643292139 0.000000000000000 0.000000000000000 b -4.589752321646070 7.949684215248206 0.000000000000000 c 0.000000000000000 0.000000000000000 17.820151400000000 Atomic positions (fractional): 1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 1 2 Be 0.50000000000000 0.00000000000000 0.00000000000000 9.012 > 1 3 Be 0.00000000000000 0.50000000000000 0.00000000000000 9.012 > 1 4 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 1 5 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 > 1 6 Be 0.50000000000000 0.00000000000000 0.50000000000000 9.012 > 1 7 Be 0.00000000000000 0.50000000000000 0.50000000000000 9.012 > 1 8 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 1 9 Be 0.00000000000000 0.00000000000000 0.25000000000000 9.012 > 9 10 Be 0.50000000000000 0.00000000000000 0.25000000000000 9.012 > 9 11 Be 0.00000000000000 0.50000000000000 0.25000000000000 9.012 > 9 12 Be 0.50000000000000 0.50000000000000 0.25000000000000 9.012 > 9 13 Be 0.00000000000000 0.00000000000000 0.75000000000000 9.012 > 9 14 Be 0.50000000000000 0.00000000000000 0.75000000000000 9.012 > 9 15 Be 0.00000000000000 0.50000000000000 0.75000000000000 9.012 > 9 16 Be 0.50000000000000 0.50000000000000 0.75000000000000 9.012 > 9 17 Be 0.16666666666667 0.33333333333333 0.21446482992160 9.012 > 17 18 Be 0.66666666666667 0.33333333333333 0.21446482992160 9.012 > 17 19 Be 0.16666666666667 0.83333333333333 0.21446482992160 9.012 > 17 20 Be 0.66666666666667 0.83333333333333 0.21446482992160 9.012 > 17 21 Be 0.16666666666667 0.33333333333333 0.71446482992160 9.012 > 17 22 Be 0.66666666666667 0.33333333333333 0.71446482992160 9.012 > 17 23 Be 0.16666666666667 0.83333333333333 0.71446482992160 9.012 > 17 24 Be 0.66666666666667 0.83333333333333 0.71446482992160 9.012 > 17 25 Be 0.16666666666667 0.33333333333333 0.03553517007840 9.012 > 25 26 Be 0.66666666666667 0.33333333333333 0.03553517007840 9.012 > 25 27 Be 0.16666666666667 0.83333333333333 0.03553517007840 9.012 > 25 28 Be 0.66666666666667 0.83333333333333 0.03553517007840 9.012 > 25 29 Be 0.16666666666667 0.33333333333333 0.53553517007840 9.012 > 25 30 Be 0.66666666666667 0.33333333333333 0.53553517007840 9.012 > 25 31 Be 0.16666666666667 0.83333333333333 0.53553517007840 9.012 > 25 32 Be 0.66666666666667 0.83333333333333 0.53553517007840 9.012 > 25 33 Be 0.33333333333333 0.16666666666667 0.28553517007840 9.012 > 33 34 Be 0.83333333333333 0.16666666666667 0.28553517007840 9.012 > 33 35 Be 0.33333333333333 0.66666666666667 0.28553517007840 9.012 > 33 36 Be 0.83333333333333 0.66666666666667 0.28553517007840 9.012 > 33 37 Be 0.33333333333333 0.16666666666667 0.78553517007840 9.012 > 33 38 Be 0.83333333333333 0.16666666666667 0.78553517007840 9.012 > 33 39 Be 0.33333333333333 0.66666666666667 0.78553517007840 9.012 > 33 40 Be 0.83333333333333 0.66666666666667 0.78553517007840 9.012 > 33 41 Be 0.33333333333333 0.16666666666667 0.46446482992160 9.012 > 41 42 Be 0.83333333333333 0.16666666666667 0.46446482992160 9.012 > 41 43 Be 0.33333333333333 0.66666666666667 0.46446482992160 9.012 > 41 44 Be 0.83333333333333 0.66666666666667 0.46446482992160 9.012 > 41 45 Be 0.33333333333333 0.16666666666667 0.96446482992160 9.012 > 41 46 Be 0.83333333333333 0.16666666666667 0.96446482992160 9.012 > 41 47 Be 0.33333333333333 0.66666666666667 0.96446482992160 9.012 > 41 48 Be 0.83333333333333 0.66666666666667 0.96446482992160 9.012 > 41 49 O 0.33247200529388 0.33247200529388 0.25000000000000 15.999 > 49 50 O 0.83247200529388 0.33247200529388 0.25000000000000 15.999 > 49 51 O 0.33247200529388 0.83247200529388 0.25000000000000 15.999 > 49 52 O 0.83247200529388 0.83247200529388 0.25000000000000 15.999 > 49 53 O 0.33247200529388 0.33247200529388 0.75000000000000 15.999 > 49 54 O 0.83247200529388 0.33247200529388 0.75000000000000 15.999 > 49 55 O 0.33247200529388 0.83247200529388 0.75000000000000 15.999 > 49 56 O 0.83247200529388 0.83247200529388 0.75000000000000 15.999 > 49 57 O 0.16752799470612 0.00000000000000 0.00000000000000 15.999 > 57 58 O 0.66752799470612 0.00000000000000 0.00000000000000 15.999 > 57 59 O 0.16752799470612 0.50000000000000 0.00000000000000 15.999 > 57 60 O 0.66752799470612 0.50000000000000 0.00000000000000 15.999 > 57 61 O 0.16752799470612 0.00000000000000 0.50000000000000 15.999 > 57 62 O 0.66752799470612 0.00000000000000 0.50000000000000 15.999 > 57 63 O 0.16752799470612 0.50000000000000 0.50000000000000 15.999 > 57 64 O 0.66752799470612 0.50000000000000 0.50000000000000 15.999 > 57 65 O 0.33333333333333 0.16666666666667 0.37500000000000 15.999 > 65 66 O 0.83333333333333 0.16666666666667 0.37500000000000 15.999 > 65 67 O 0.33333333333333 0.66666666666667 0.37500000000000 15.999 > 65 68 O 0.83333333333333 0.66666666666667 0.37500000000000 15.999 > 65 69 O 0.33333333333333 0.16666666666667 0.87500000000000 15.999 > 65 70 O 0.83333333333333 0.16666666666667 0.87500000000000 15.999 > 65 71 O 0.33333333333333 0.66666666666667 0.87500000000000 15.999 > 65 72 O 0.83333333333333 0.66666666666667 0.87500000000000 15.999 > 65 73 O 0.16666666666667 0.33333333333333 0.12500000000000 15.999 > 73 74 O 0.66666666666667 0.33333333333333 0.12500000000000 15.999 > 73 75 O 0.16666666666667 0.83333333333333 0.12500000000000 15.999 > 73 76 O 0.66666666666667 0.83333333333333 0.12500000000000 15.999 > 73 77 O 0.16666666666667 0.33333333333333 0.62500000000000 15.999 > 73 78 O 0.66666666666667 0.33333333333333 0.62500000000000 15.999 > 73 79 O 0.16666666666667 0.83333333333333 0.62500000000000 15.999 > 73 80 O 0.66666666666667 0.83333333333333 0.62500000000000 15.999 > 73 81 O 0.33247200529388 0.33247200529388 0.00000000000000 15.999 > 81 82 O 0.83247200529388 0.33247200529388 0.00000000000000 15.999 > 81 83 O 0.33247200529388 0.83247200529388 0.00000000000000 15.999 > 81 84 O 0.83247200529388 0.83247200529388 0.00000000000000 15.999 > 81 85 O 0.33247200529388 0.33247200529388 0.50000000000000 15.999 > 81 86 O 0.83247200529388 0.33247200529388 0.50000000000000 15.999 > 81 87 O 0.33247200529388 0.83247200529388 0.50000000000000 15.999 > 81 88 O 0.83247200529388 0.83247200529388 0.50000000000000 15.999 > 81 89 O 0.16752799470612 0.00000000000000 0.25000000000000 15.999 > 89 90 O 0.66752799470612 0.00000000000000 0.25000000000000 15.999 > 89 91 O 0.16752799470612 0.50000000000000 0.25000000000000 15.999 > 89 92 O 0.66752799470612 0.50000000000000 0.25000000000000 15.999 > 89 93 O 0.16752799470612 0.00000000000000 0.75000000000000 15.999 > 89 94 O 0.66752799470612 0.00000000000000 0.75000000000000 15.999 > 89 95 O 0.16752799470612 0.50000000000000 0.75000000000000 15.999 > 89 96 O 0.66752799470612 0.50000000000000 0.75000000000000 15.999 > 89 97 O 0.00000000000000 0.16752799470612 0.25000000000000 15.999 > 97 98 O 0.50000000000000 0.16752799470612 0.25000000000000 15.999 > 97 99 O 0.00000000000000 0.66752799470612 0.25000000000000 15.999 > 97 100 O 0.50000000000000 0.66752799470612 0.25000000000000 15.999 > 97 101 O 0.00000000000000 0.16752799470612 0.75000000000000 15.999 > 97 102 O 0.50000000000000 0.16752799470612 0.75000000000000 15.999 > 97 103 O 0.00000000000000 0.66752799470612 0.75000000000000 15.999 > 97 104 O 0.50000000000000 0.66752799470612 0.75000000000000 15.999 > 97 105 O 0.00000000000000 0.16752799470612 0.00000000000000 15.999 > 105 106 O 0.50000000000000 0.16752799470612 0.00000000000000 15.999 > 105 107 O 0.00000000000000 0.66752799470612 0.00000000000000 15.999 > 105 108 O 0.50000000000000 0.66752799470612 0.00000000000000 15.999 > 105 109 O 0.00000000000000 0.16752799470612 0.50000000000000 15.999 > 105 110 O 0.50000000000000 0.16752799470612 0.50000000000000 15.999 > 105 111 O 0.00000000000000 0.66752799470612 0.50000000000000 15.999 > 105 112 O 0.50000000000000 0.66752799470612 0.50000000000000 15.999 > 105 113 Sr 0.33333333333333 0.16666666666667 0.12500000000000 87.620 > 113 114 Sr 0.83333333333333 0.16666666666667 0.12500000000000 87.620 > 113 115 Sr 0.33333333333333 0.66666666666667 0.12500000000000 87.620 > 113 116 Sr 0.83333333333333 0.66666666666667 0.12500000000000 87.620 > 113 117 Sr 0.33333333333333 0.16666666666667 0.62500000000000 87.620 > 113 118 Sr 0.83333333333333 0.16666666666667 0.62500000000000 87.620 > 113 119 Sr 0.33333333333333 0.66666666666667 0.62500000000000 87.620 > 113 120 Sr 0.83333333333333 0.66666666666667 0.62500000000000 87.620 > 113 121 Sr 0.16666666666667 0.33333333333333 0.37500000000000 87.620 > 121 122 Sr 0.66666666666667 0.33333333333333 0.37500000000000 87.620 > 121 123 Sr 0.16666666666667 0.83333333333333 0.37500000000000 87.620 > 121 124 Sr 0.66666666666667 0.83333333333333 0.37500000000000 87.620 > 121 125 Sr 0.16666666666667 0.33333333333333 0.87500000000000 87.620 > 121 126 Sr 0.66666666666667 0.33333333333333 0.87500000000000 87.620 > 121 127 Sr 0.16666666666667 0.83333333333333 0.87500000000000 87.620 > 121 128 Sr 0.66666666666667 0.83333333333333 0.87500000000000 87.620 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1701153 0.0000000 0.0000000 0.0000000 3.1701153 0.0000000 0.0000000 0.0000000 3.2339796 -------------------------- Born effective charges -------------------------- 1 Be 2.0021873 -0.0000000 0.0000000 0.0000000 2.0021873 0.0000000 0.0000000 0.0000000 0.6701586 2 Be 2.0021873 -0.0000000 0.0000000 0.0000000 2.0021873 0.0000000 0.0000000 0.0000000 0.6701586 3 Be 1.6728262 -0.0224710 0.0000000 0.0224710 1.6728262 0.0000000 0.0000000 0.0000000 1.8582338 4 Be 1.6728262 -0.0224710 0.0000000 0.0224710 1.6728262 0.0000000 0.0000000 0.0000000 1.8582338 5 Be 1.6728262 0.0224710 0.0000000 -0.0224710 1.6728262 0.0000000 0.0000000 0.0000000 1.8582338 6 Be 1.6728262 0.0224710 0.0000000 -0.0224710 1.6728262 0.0000000 0.0000000 0.0000000 1.8582338 7 O -1.9880967 0.0184739 -0.1057700 0.0184739 -1.9667649 0.0610663 -0.1189075 0.0686512 -1.5683512 8 O -1.9560990 -0.0000000 0.0000000 0.0000000 -1.9987626 0.1221326 0.0000000 0.1373025 -1.5683512 9 O -1.6943543 -0.0087904 0.0000000 0.0087904 -1.6943543 0.0000000 0.0000000 0.0000000 -2.5085794 10 O -1.6943543 0.0087904 0.0000000 -0.0087904 -1.6943543 0.0000000 0.0000000 0.0000000 -2.5085794 11 O -1.9880967 0.0184739 0.1057700 0.0184739 -1.9667649 -0.0610663 0.1189075 -0.0686512 -1.5683512 12 O -1.9560990 -0.0000000 -0.0000000 0.0000000 -1.9987626 -0.1221326 0.0000000 -0.1373025 -1.5683512 13 O -1.9880967 -0.0184739 0.1057700 -0.0184739 -1.9667649 0.0610663 0.1189075 0.0686512 -1.5683512 14 O -1.9880967 -0.0184739 -0.1057700 -0.0184739 -1.9667649 -0.0610663 -0.1189075 -0.0686512 -1.5683512 15 Sr 2.2788070 0.0144057 0.0000000 -0.0144057 2.2788070 0.0000000 0.0000000 0.0000000 2.8270070 16 Sr 2.2788070 -0.0144057 0.0000000 0.0144057 2.2788070 0.0000000 0.0000000 0.0000000 2.8270070 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000033 (xxx) 0.00000033 (xxx) 0.00000033 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000049 (yx) 0.00000049 (yx) 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 06:33:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:33:13]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-62c (190) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.589752321646070 0.000000000000000 0.000000000000000 b -2.294876160823035 3.974842107624103 0.000000000000000 c 0.000000000000000 0.000000000000000 8.910075700000000 Atomic positions (fractional): 1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 2 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 3 Be 0.33333333333333 0.66666666666667 0.42892965984320 9.012 4 Be 0.33333333333333 0.66666666666667 0.07107034015680 9.012 5 Be 0.66666666666667 0.33333333333333 0.57107034015680 9.012 6 Be 0.66666666666667 0.33333333333333 0.92892965984320 9.012 7 O 0.66494401058775 0.66494401058775 0.50000000000000 15.999 8 O 0.33505598941225 0.00000000000000 0.00000000000000 15.999 9 O 0.66666666666667 0.33333333333333 0.75000000000000 15.999 10 O 0.33333333333333 0.66666666666667 0.25000000000000 15.999 11 O 0.66494401058775 0.66494401058775 0.00000000000000 15.999 12 O 0.33505598941225 0.00000000000000 0.50000000000000 15.999 13 O 0.00000000000000 0.33505598941225 0.50000000000000 15.999 14 O 0.00000000000000 0.33505598941225 0.00000000000000 15.999 15 Sr 0.66666666666667 0.33333333333333 0.25000000000000 87.620 16 Sr 0.33333333333333 0.66666666666667 0.75000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.179504643292139 0.000000000000000 0.000000000000000 b -4.589752321646070 7.949684215248206 0.000000000000000 c 0.000000000000000 0.000000000000000 17.820151400000000 Atomic positions (fractional): 1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 1 2 Be 0.50000000000000 0.00000000000000 0.00000000000000 9.012 > 1 3 Be 0.00000000000000 0.50000000000000 0.00000000000000 9.012 > 1 4 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 1 5 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 > 1 6 Be 0.50000000000000 0.00000000000000 0.50000000000000 9.012 > 1 7 Be 0.00000000000000 0.50000000000000 0.50000000000000 9.012 > 1 8 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 1 9 Be 0.00000000000000 0.00000000000000 0.25000000000000 9.012 > 9 10 Be 0.50000000000000 0.00000000000000 0.25000000000000 9.012 > 9 11 Be 0.00000000000000 0.50000000000000 0.25000000000000 9.012 > 9 12 Be 0.50000000000000 0.50000000000000 0.25000000000000 9.012 > 9 13 Be 0.00000000000000 0.00000000000000 0.75000000000000 9.012 > 9 14 Be 0.50000000000000 0.00000000000000 0.75000000000000 9.012 > 9 15 Be 0.00000000000000 0.50000000000000 0.75000000000000 9.012 > 9 16 Be 0.50000000000000 0.50000000000000 0.75000000000000 9.012 > 9 17 Be 0.16666666666667 0.33333333333333 0.21446482992160 9.012 > 17 18 Be 0.66666666666667 0.33333333333333 0.21446482992160 9.012 > 17 19 Be 0.16666666666667 0.83333333333333 0.21446482992160 9.012 > 17 20 Be 0.66666666666667 0.83333333333333 0.21446482992160 9.012 > 17 21 Be 0.16666666666667 0.33333333333333 0.71446482992160 9.012 > 17 22 Be 0.66666666666667 0.33333333333333 0.71446482992160 9.012 > 17 23 Be 0.16666666666667 0.83333333333333 0.71446482992160 9.012 > 17 24 Be 0.66666666666667 0.83333333333333 0.71446482992160 9.012 > 17 25 Be 0.16666666666667 0.33333333333333 0.03553517007840 9.012 > 25 26 Be 0.66666666666667 0.33333333333333 0.03553517007840 9.012 > 25 27 Be 0.16666666666667 0.83333333333333 0.03553517007840 9.012 > 25 28 Be 0.66666666666667 0.83333333333333 0.03553517007840 9.012 > 25 29 Be 0.16666666666667 0.33333333333333 0.53553517007840 9.012 > 25 30 Be 0.66666666666667 0.33333333333333 0.53553517007840 9.012 > 25 31 Be 0.16666666666667 0.83333333333333 0.53553517007840 9.012 > 25 32 Be 0.66666666666667 0.83333333333333 0.53553517007840 9.012 > 25 33 Be 0.33333333333333 0.16666666666667 0.28553517007840 9.012 > 33 34 Be 0.83333333333333 0.16666666666667 0.28553517007840 9.012 > 33 35 Be 0.33333333333333 0.66666666666667 0.28553517007840 9.012 > 33 36 Be 0.83333333333333 0.66666666666667 0.28553517007840 9.012 > 33 37 Be 0.33333333333333 0.16666666666667 0.78553517007840 9.012 > 33 38 Be 0.83333333333333 0.16666666666667 0.78553517007840 9.012 > 33 39 Be 0.33333333333333 0.66666666666667 0.78553517007840 9.012 > 33 40 Be 0.83333333333333 0.66666666666667 0.78553517007840 9.012 > 33 41 Be 0.33333333333333 0.16666666666667 0.46446482992160 9.012 > 41 42 Be 0.83333333333333 0.16666666666667 0.46446482992160 9.012 > 41 43 Be 0.33333333333333 0.66666666666667 0.46446482992160 9.012 > 41 44 Be 0.83333333333333 0.66666666666667 0.46446482992160 9.012 > 41 45 Be 0.33333333333333 0.16666666666667 0.96446482992160 9.012 > 41 46 Be 0.83333333333333 0.16666666666667 0.96446482992160 9.012 > 41 47 Be 0.33333333333333 0.66666666666667 0.96446482992160 9.012 > 41 48 Be 0.83333333333333 0.66666666666667 0.96446482992160 9.012 > 41 49 O 0.33247200529388 0.33247200529388 0.25000000000000 15.999 > 49 50 O 0.83247200529388 0.33247200529388 0.25000000000000 15.999 > 49 51 O 0.33247200529388 0.83247200529388 0.25000000000000 15.999 > 49 52 O 0.83247200529388 0.83247200529388 0.25000000000000 15.999 > 49 53 O 0.33247200529388 0.33247200529388 0.75000000000000 15.999 > 49 54 O 0.83247200529388 0.33247200529388 0.75000000000000 15.999 > 49 55 O 0.33247200529388 0.83247200529388 0.75000000000000 15.999 > 49 56 O 0.83247200529388 0.83247200529388 0.75000000000000 15.999 > 49 57 O 0.16752799470612 0.00000000000000 0.00000000000000 15.999 > 57 58 O 0.66752799470612 0.00000000000000 0.00000000000000 15.999 > 57 59 O 0.16752799470612 0.50000000000000 0.00000000000000 15.999 > 57 60 O 0.66752799470612 0.50000000000000 0.00000000000000 15.999 > 57 61 O 0.16752799470612 0.00000000000000 0.50000000000000 15.999 > 57 62 O 0.66752799470612 0.00000000000000 0.50000000000000 15.999 > 57 63 O 0.16752799470612 0.50000000000000 0.50000000000000 15.999 > 57 64 O 0.66752799470612 0.50000000000000 0.50000000000000 15.999 > 57 65 O 0.33333333333333 0.16666666666667 0.37500000000000 15.999 > 65 66 O 0.83333333333333 0.16666666666667 0.37500000000000 15.999 > 65 67 O 0.33333333333333 0.66666666666667 0.37500000000000 15.999 > 65 68 O 0.83333333333333 0.66666666666667 0.37500000000000 15.999 > 65 69 O 0.33333333333333 0.16666666666667 0.87500000000000 15.999 > 65 70 O 0.83333333333333 0.16666666666667 0.87500000000000 15.999 > 65 71 O 0.33333333333333 0.66666666666667 0.87500000000000 15.999 > 65 72 O 0.83333333333333 0.66666666666667 0.87500000000000 15.999 > 65 73 O 0.16666666666667 0.33333333333333 0.12500000000000 15.999 > 73 74 O 0.66666666666667 0.33333333333333 0.12500000000000 15.999 > 73 75 O 0.16666666666667 0.83333333333333 0.12500000000000 15.999 > 73 76 O 0.66666666666667 0.83333333333333 0.12500000000000 15.999 > 73 77 O 0.16666666666667 0.33333333333333 0.62500000000000 15.999 > 73 78 O 0.66666666666667 0.33333333333333 0.62500000000000 15.999 > 73 79 O 0.16666666666667 0.83333333333333 0.62500000000000 15.999 > 73 80 O 0.66666666666667 0.83333333333333 0.62500000000000 15.999 > 73 81 O 0.33247200529388 0.33247200529388 0.00000000000000 15.999 > 81 82 O 0.83247200529388 0.33247200529388 0.00000000000000 15.999 > 81 83 O 0.33247200529388 0.83247200529388 0.00000000000000 15.999 > 81 84 O 0.83247200529388 0.83247200529388 0.00000000000000 15.999 > 81 85 O 0.33247200529388 0.33247200529388 0.50000000000000 15.999 > 81 86 O 0.83247200529388 0.33247200529388 0.50000000000000 15.999 > 81 87 O 0.33247200529388 0.83247200529388 0.50000000000000 15.999 > 81 88 O 0.83247200529388 0.83247200529388 0.50000000000000 15.999 > 81 89 O 0.16752799470612 0.00000000000000 0.25000000000000 15.999 > 89 90 O 0.66752799470612 0.00000000000000 0.25000000000000 15.999 > 89 91 O 0.16752799470612 0.50000000000000 0.25000000000000 15.999 > 89 92 O 0.66752799470612 0.50000000000000 0.25000000000000 15.999 > 89 93 O 0.16752799470612 0.00000000000000 0.75000000000000 15.999 > 89 94 O 0.66752799470612 0.00000000000000 0.75000000000000 15.999 > 89 95 O 0.16752799470612 0.50000000000000 0.75000000000000 15.999 > 89 96 O 0.66752799470612 0.50000000000000 0.75000000000000 15.999 > 89 97 O 0.00000000000000 0.16752799470612 0.25000000000000 15.999 > 97 98 O 0.50000000000000 0.16752799470612 0.25000000000000 15.999 > 97 99 O 0.00000000000000 0.66752799470612 0.25000000000000 15.999 > 97 100 O 0.50000000000000 0.66752799470612 0.25000000000000 15.999 > 97 101 O 0.00000000000000 0.16752799470612 0.75000000000000 15.999 > 97 102 O 0.50000000000000 0.16752799470612 0.75000000000000 15.999 > 97 103 O 0.00000000000000 0.66752799470612 0.75000000000000 15.999 > 97 104 O 0.50000000000000 0.66752799470612 0.75000000000000 15.999 > 97 105 O 0.00000000000000 0.16752799470612 0.00000000000000 15.999 > 105 106 O 0.50000000000000 0.16752799470612 0.00000000000000 15.999 > 105 107 O 0.00000000000000 0.66752799470612 0.00000000000000 15.999 > 105 108 O 0.50000000000000 0.66752799470612 0.00000000000000 15.999 > 105 109 O 0.00000000000000 0.16752799470612 0.50000000000000 15.999 > 105 110 O 0.50000000000000 0.16752799470612 0.50000000000000 15.999 > 105 111 O 0.00000000000000 0.66752799470612 0.50000000000000 15.999 > 105 112 O 0.50000000000000 0.66752799470612 0.50000000000000 15.999 > 105 113 Sr 0.33333333333333 0.16666666666667 0.12500000000000 87.620 > 113 114 Sr 0.83333333333333 0.16666666666667 0.12500000000000 87.620 > 113 115 Sr 0.33333333333333 0.66666666666667 0.12500000000000 87.620 > 113 116 Sr 0.83333333333333 0.66666666666667 0.12500000000000 87.620 > 113 117 Sr 0.33333333333333 0.16666666666667 0.62500000000000 87.620 > 113 118 Sr 0.83333333333333 0.16666666666667 0.62500000000000 87.620 > 113 119 Sr 0.33333333333333 0.66666666666667 0.62500000000000 87.620 > 113 120 Sr 0.83333333333333 0.66666666666667 0.62500000000000 87.620 > 113 121 Sr 0.16666666666667 0.33333333333333 0.37500000000000 87.620 > 121 122 Sr 0.66666666666667 0.33333333333333 0.37500000000000 87.620 > 121 123 Sr 0.16666666666667 0.83333333333333 0.37500000000000 87.620 > 121 124 Sr 0.66666666666667 0.83333333333333 0.37500000000000 87.620 > 121 125 Sr 0.16666666666667 0.33333333333333 0.87500000000000 87.620 > 121 126 Sr 0.66666666666667 0.33333333333333 0.87500000000000 87.620 > 121 127 Sr 0.16666666666667 0.83333333333333 0.87500000000000 87.620 > 121 128 Sr 0.66666666666667 0.83333333333333 0.87500000000000 87.620 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1701153 0.0000000 0.0000000 0.0000000 3.1701153 0.0000000 0.0000000 0.0000000 3.2339796 -------------------------- Born effective charges -------------------------- 1 Be 2.0021873 -0.0000000 0.0000000 0.0000000 2.0021873 0.0000000 0.0000000 0.0000000 0.6701586 2 Be 2.0021873 -0.0000000 0.0000000 0.0000000 2.0021873 0.0000000 0.0000000 0.0000000 0.6701586 3 Be 1.6728262 -0.0224710 0.0000000 0.0224710 1.6728262 0.0000000 0.0000000 0.0000000 1.8582338 4 Be 1.6728262 -0.0224710 0.0000000 0.0224710 1.6728262 0.0000000 0.0000000 0.0000000 1.8582338 5 Be 1.6728262 0.0224710 0.0000000 -0.0224710 1.6728262 0.0000000 0.0000000 0.0000000 1.8582338 6 Be 1.6728262 0.0224710 0.0000000 -0.0224710 1.6728262 0.0000000 0.0000000 0.0000000 1.8582338 7 O -1.9880967 0.0184739 -0.1057700 0.0184739 -1.9667649 0.0610663 -0.1189075 0.0686512 -1.5683512 8 O -1.9560990 -0.0000000 0.0000000 0.0000000 -1.9987626 0.1221326 0.0000000 0.1373025 -1.5683512 9 O -1.6943543 -0.0087904 0.0000000 0.0087904 -1.6943543 0.0000000 0.0000000 0.0000000 -2.5085794 10 O -1.6943543 0.0087904 0.0000000 -0.0087904 -1.6943543 0.0000000 0.0000000 0.0000000 -2.5085794 11 O -1.9880967 0.0184739 0.1057700 0.0184739 -1.9667649 -0.0610663 0.1189075 -0.0686512 -1.5683512 12 O -1.9560990 -0.0000000 -0.0000000 0.0000000 -1.9987626 -0.1221326 0.0000000 -0.1373025 -1.5683512 13 O -1.9880967 -0.0184739 0.1057700 -0.0184739 -1.9667649 0.0610663 0.1189075 0.0686512 -1.5683512 14 O -1.9880967 -0.0184739 -0.1057700 -0.0184739 -1.9667649 -0.0610663 -0.1189075 -0.0686512 -1.5683512 15 Sr 2.2788070 0.0144057 0.0000000 -0.0144057 2.2788070 0.0000000 0.0000000 0.0000000 2.8270070 16 Sr 2.2788070 -0.0144057 0.0000000 0.0144057 2.2788070 0.0000000 0.0000000 0.0000000 2.8270070 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000033 (xxx) 0.00000033 (xxx) 0.00000033 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 6 ] 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: 0.76, Number of G-points: 313, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 3.813 ( -0.000 0.000 0.000) 0.000 3.813 ( -0.000 0.000 0.000) 0.000 3.828 ( -0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.364 ( -0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 8.514 ( -0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 9.630 ( -0.000 0.000 0.000) 0.000 11.570 ( -0.000 0.000 0.000) 0.000 11.570 ( -0.000 0.000 0.000) 0.000 14.107 ( 0.000 -0.000 0.000) 0.000 14.958 ( 0.000 0.000 0.000) 0.000 16.177 ( 0.000 0.000 0.000) 0.000 16.364 ( 0.000 0.000 0.000) 0.000 17.671 ( 0.000 0.000 0.000) 0.000 17.671 ( 0.000 0.000 0.000) 0.000 17.760 ( 0.000 0.000 0.000) 0.000 17.760 ( -0.000 0.000 0.000) 0.000 17.912 ( 0.000 0.000 0.000) 0.000 20.794 ( 0.000 0.000 0.000) 0.000 21.089 ( 0.000 0.000 0.000) 0.000 21.158 ( -0.000 0.000 0.000) 0.000 21.158 ( -0.000 0.000 0.000) 0.000 21.163 ( 0.000 0.000 0.000) 0.000 21.163 ( 0.000 0.000 0.000) 0.000 21.450 ( 0.000 0.000 0.000) 0.000 21.583 ( 0.000 0.000 0.000) 0.000 21.583 ( -0.000 0.000 0.000) 0.000 21.666 ( -0.000 0.000 0.000) 0.000 21.666 ( 0.000 0.000 0.000) 0.000 24.495 ( 0.000 0.000 0.000) 0.000 25.669 ( 0.000 0.000 0.000) 0.000 26.624 ( -0.000 0.000 0.000) 0.000 28.989 ( -0.000 0.000 0.000) 0.000 29.724 ( 0.000 0.000 0.000) 0.000 29.724 ( -0.000 0.000 0.000) 0.000 29.728 ( 0.000 0.000 0.000) 0.000 29.728 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 32.602 18.823 0.000) 37.646 1.035 ( 42.804 24.713 0.000) 49.426 1.609 ( 62.370 36.010 0.000) 72.019 2.811 ( 4.882 2.818 0.000) 5.637 2.860 ( 8.954 5.169 0.000) 10.339 3.886 ( 4.945 2.855 0.000) 5.709 3.954 ( 11.903 6.872 0.000) 13.744 4.089 ( 23.493 13.564 0.000) 27.128 4.457 ( 52.246 30.164 0.000) 60.329 4.975 ( 6.321 3.649 0.000) 7.298 5.289 ( -6.221 -3.591 0.000) 7.183 5.736 ( 0.007 0.004 0.000) 0.008 6.243 ( 13.028 7.522 0.000) 15.043 8.332 ( -13.099 -7.563 0.000) 15.125 8.571 ( -0.640 -0.369 0.000) 0.739 9.259 ( 12.140 7.009 0.000) 14.018 9.596 ( -3.163 -1.826 0.000) 3.653 9.614 ( -1.148 -0.663 0.000) 1.325 11.539 ( -2.606 -1.505 0.000) 3.009 11.951 ( -0.149 -0.086 0.000) 0.172 14.134 ( 2.084 1.203 0.000) 2.407 15.002 ( 4.113 2.375 0.000) 4.749 15.971 ( -18.176 -10.494 0.000) 20.988 16.269 ( -11.853 -6.843 0.000) 13.687 17.168 ( -26.396 -15.240 0.000) 30.480 17.269 ( -33.133 -19.129 0.000) 38.258 17.382 ( -31.403 -18.130 0.000) 36.261 17.548 ( -10.125 -5.846 0.000) 11.692 18.337 ( 14.589 8.423 0.000) 16.846 20.787 ( -3.138 -1.812 0.000) 3.624 20.893 ( -7.735 -4.466 0.000) 8.932 21.042 ( -6.359 -3.671 0.000) 7.343 21.181 ( 2.584 1.492 0.000) 2.984 21.183 ( 2.003 1.156 0.000) 2.312 21.475 ( 5.001 2.888 0.000) 5.775 21.550 ( 9.849 5.687 0.000) 11.373 21.766 ( 19.903 11.491 0.000) 22.982 21.777 ( 9.760 5.635 0.000) 11.270 22.134 ( 32.172 18.575 0.000) 37.149 24.484 ( -0.944 -0.545 0.000) 1.090 24.679 ( 4.758 2.747 0.000) 5.494 25.686 ( 1.527 0.881 0.000) 1.763 26.523 ( -8.741 -5.046 0.000) 10.093 28.652 ( -22.320 -12.886 0.000) 25.773 29.771 ( 4.205 2.428 0.000) 4.855 29.776 ( 4.298 2.482 0.000) 4.963 30.082 ( 23.781 13.730 0.000) 27.460 32.623 ( -0.728 -0.421 0.000) 0.841 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 32.205 18.594 0.000) 37.187 1.842 ( 28.443 16.422 0.000) 32.843 2.603 ( 27.209 15.709 0.000) 31.419 2.971 ( 8.999 5.196 0.000) 10.391 3.145 ( 14.916 8.612 0.000) 17.224 4.022 ( 6.231 3.598 0.000) 7.195 4.379 ( 23.108 13.341 0.000) 26.683 4.764 ( 32.894 18.991 0.000) 37.983 5.089 ( -7.380 -4.261 0.000) 8.522 5.232 ( 17.779 10.265 0.000) 20.530 5.751 ( 2.058 1.188 0.000) 2.376 5.888 ( 67.653 39.059 0.000) 78.119 6.780 ( 36.936 21.325 0.000) 42.650 8.010 ( -14.966 -8.641 0.000) 17.282 8.558 ( -0.024 -0.014 0.000) 0.028 9.498 ( -4.853 -2.802 0.000) 5.603 9.542 ( 12.161 7.021 0.000) 14.043 9.602 ( 0.836 0.483 0.000) 0.965 11.467 ( -3.464 -2.000 0.000) 4.000 11.936 ( -1.460 -0.843 0.000) 1.686 14.166 ( -0.865 -0.499 0.000) 0.999 15.147 ( 8.555 4.939 0.000) 9.878 15.411 ( -29.388 -16.967 0.000) 33.934 15.662 ( -39.954 -23.068 0.000) 46.135 16.353 ( -45.450 -26.240 0.000) 52.481 16.527 ( -41.186 -23.779 0.000) 47.557 16.870 ( -2.879 -1.662 0.000) 3.324 17.266 ( -14.326 -8.271 0.000) 16.543 18.464 ( -3.368 -1.944 0.000) 3.889 20.561 ( -15.739 -9.087 0.000) 18.174 20.782 ( -2.710 -1.565 0.000) 3.130 20.970 ( -1.768 -1.021 0.000) 2.041 21.246 ( 3.812 2.201 0.000) 4.401 21.311 ( 8.698 5.022 0.000) 10.043 21.591 ( 4.364 2.519 0.000) 5.039 21.713 ( 6.413 3.702 0.000) 7.405 22.076 ( 15.713 9.072 0.000) 18.144 22.255 ( 19.377 11.187 0.000) 22.374 22.937 ( 37.654 21.739 0.000) 43.479 24.456 ( -1.479 -0.854 0.000) 1.708 24.862 ( 12.038 6.950 0.000) 13.900 25.736 ( 2.970 1.715 0.000) 3.430 26.258 ( -14.274 -8.241 0.000) 16.482 28.138 ( -22.812 -13.171 0.000) 26.341 29.906 ( 7.669 4.428 0.000) 8.855 29.915 ( 7.955 4.593 0.000) 9.185 30.634 ( 24.444 14.112 0.000) 28.225 32.598 ( -1.536 -0.887 0.000) 1.773 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 29.918 17.273 0.000) 34.547 2.317 ( 15.288 8.827 0.000) 17.653 3.031 ( 14.249 8.227 0.000) 16.453 3.176 ( 8.801 5.081 0.000) 10.162 3.461 ( 13.306 7.682 0.000) 15.365 4.125 ( 2.575 1.487 0.000) 2.974 4.786 ( 11.752 6.785 0.000) 13.571 4.821 ( -10.565 -6.099 0.000) 12.199 5.492 ( 18.899 10.912 0.000) 21.823 5.787 ( 30.541 17.633 0.000) 35.266 5.950 ( 22.362 12.911 0.000) 25.821 7.247 ( 46.447 26.816 0.000) 53.632 7.687 ( -13.017 -7.516 0.000) 15.031 7.800 ( 44.643 25.774 0.000) 51.549 8.647 ( 13.816 7.977 0.000) 15.953 9.447 ( 2.019 1.166 0.000) 2.332 9.732 ( 14.959 8.637 0.000) 17.274 9.763 ( 6.772 3.910 0.000) 7.819 11.406 ( -1.380 -0.797 0.000) 1.594 11.875 ( -4.126 -2.382 0.000) 4.765 13.937 ( -23.941 -13.822 0.000) 27.645 14.705 ( -42.182 -24.354 0.000) 48.707 14.766 ( -24.057 -13.890 0.000) 27.779 15.352 ( -28.180 -16.270 0.000) 32.540 15.459 ( 5.724 3.305 0.000) 6.610 15.611 ( -39.292 -22.685 0.000) 45.371 16.895 ( 3.005 1.735 0.000) 3.469 16.926 ( -15.796 -9.120 0.000) 18.240 18.212 ( -18.317 -10.576 0.000) 21.151 20.127 ( -22.835 -13.184 0.000) 26.367 20.747 ( -0.745 -0.430 0.000) 0.861 20.932 ( -1.498 -0.865 0.000) 1.730 21.339 ( 3.590 2.072 0.000) 4.145 21.529 ( 9.964 5.753 0.000) 11.505 21.658 ( 1.818 1.050 0.000) 2.100 21.852 ( 6.373 3.679 0.000) 7.359 22.418 ( 13.880 8.013 0.000) 16.027 22.565 ( 8.456 4.882 0.000) 9.764 23.752 ( 34.112 19.695 0.000) 39.389 24.420 ( -1.701 -0.982 0.000) 1.964 25.208 ( 18.069 10.432 0.000) 20.864 25.820 ( 4.536 2.619 0.000) 5.238 25.919 ( -15.242 -8.800 0.000) 17.599 27.654 ( -20.152 -11.635 0.000) 23.269 30.104 ( 9.710 5.606 0.000) 11.212 30.121 ( 10.181 5.878 0.000) 11.756 31.142 ( 20.571 11.877 0.000) 23.753 32.555 ( -2.340 -1.351 0.000) 2.702 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 9.307 5.373 0.000) 10.747 2.771 ( 25.183 14.540 0.000) 29.079 3.257 ( 5.893 3.402 0.000) 6.805 3.386 ( 10.308 5.952 0.000) 11.903 3.742 ( 11.523 6.653 0.000) 13.306 4.142 ( -0.598 -0.345 0.000) 0.690 4.592 ( -9.631 -5.560 0.000) 11.121 4.947 ( 4.135 2.387 0.000) 4.774 5.702 ( 6.189 3.573 0.000) 7.146 6.454 ( 23.922 13.811 0.000) 27.622 6.632 ( 30.461 17.587 0.000) 35.173 7.492 ( -0.840 -0.485 0.000) 0.970 7.754 ( 2.508 1.448 0.000) 2.896 8.268 ( 4.796 2.769 0.000) 5.538 9.474 ( 46.997 27.134 0.000) 54.267 9.583 ( 9.628 5.559 0.000) 11.118 9.814 ( -1.955 -1.128 0.000) 2.257 10.452 ( 46.321 26.743 0.000) 53.487 11.425 ( 3.204 1.850 0.000) 3.700 11.768 ( -4.119 -2.378 0.000) 4.757 13.188 ( -37.133 -21.439 0.000) 42.877 13.885 ( -29.693 -17.143 0.000) 34.287 14.100 ( -35.917 -20.737 0.000) 41.474 14.836 ( -28.131 -16.241 0.000) 32.483 14.880 ( -8.746 -5.050 0.000) 10.100 15.842 ( 18.847 10.881 0.000) 21.763 16.587 ( -12.914 -7.456 0.000) 14.912 16.952 ( 1.018 0.588 0.000) 1.175 17.688 ( -27.249 -15.732 0.000) 31.464 19.544 ( -29.231 -16.877 0.000) 33.753 20.748 ( 1.055 0.609 0.000) 1.218 20.909 ( -0.491 -0.283 0.000) 0.567 21.363 ( -1.946 -1.123 0.000) 2.247 21.655 ( -0.006 -0.004 0.000) 0.007 21.760 ( 8.396 4.848 0.000) 9.695 22.015 ( 8.279 4.780 0.000) 9.560 22.663 ( 1.084 0.626 0.000) 1.251 22.673 ( 8.795 5.078 0.000) 10.156 24.381 ( -1.831 -1.057 0.000) 2.114 24.416 ( 24.607 14.207 0.000) 28.413 25.593 ( -3.253 -1.878 0.000) 3.757 25.632 ( 8.531 4.925 0.000) 9.851 25.941 ( 6.313 3.645 0.000) 7.290 27.250 ( -15.702 -9.066 0.000) 18.131 30.325 ( 9.749 5.629 0.000) 11.257 30.354 ( 10.220 5.900 0.000) 11.801 31.539 ( 14.711 8.494 0.000) 16.987 32.496 ( -2.826 -1.632 0.000) 3.263 ======================= Grid point 5 (6/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 6.017 3.474 0.000) 6.948 3.257 ( 17.864 10.314 0.000) 20.627 3.338 ( 2.043 1.180 0.000) 2.359 3.595 ( 7.709 4.451 0.000) 8.901 3.951 ( 6.644 3.836 0.000) 7.672 4.121 ( -0.764 -0.441 0.000) 0.882 4.397 ( -7.643 -4.413 0.000) 8.826 5.018 ( 2.842 1.641 0.000) 3.281 5.857 ( 7.833 4.522 0.000) 9.045 6.656 ( -2.883 -1.665 0.000) 3.329 7.094 ( 7.007 4.046 0.000) 8.091 7.700 ( -0.221 -0.127 0.000) 0.255 7.760 ( 19.016 10.979 0.000) 21.957 8.357 ( 6.291 3.632 0.000) 7.264 9.683 ( -6.212 -3.587 0.000) 7.173 9.893 ( 18.175 10.493 0.000) 20.987 10.186 ( 9.048 5.224 0.000) 10.447 11.413 ( 29.039 16.766 0.000) 33.531 11.570 ( 9.883 5.706 0.000) 11.412 11.785 ( 6.454 3.726 0.000) 7.452 12.468 ( -23.788 -13.734 0.000) 27.469 13.390 ( -15.553 -8.979 0.000) 17.959 13.411 ( -19.210 -11.091 0.000) 22.182 14.476 ( -0.847 -0.489 0.000) 0.978 14.707 ( -9.746 -5.627 0.000) 11.254 16.036 ( -5.763 -3.327 0.000) 6.654 16.617 ( 20.513 11.843 0.000) 23.686 16.747 ( -27.322 -15.774 0.000) 31.549 17.199 ( -8.151 -4.706 0.000) 9.412 18.834 ( -33.889 -19.566 0.000) 39.132 20.799 ( 3.557 2.053 0.000) 4.107 20.909 ( 0.323 0.187 0.000) 0.374 21.262 ( -6.420 -3.707 0.000) 7.413 21.635 ( -1.279 -0.739 0.000) 1.477 21.927 ( 6.144 3.547 0.000) 7.095 22.211 ( 8.840 5.104 0.000) 10.208 22.640 ( -2.758 -1.592 0.000) 3.184 22.815 ( 4.187 2.417 0.000) 4.834 24.340 ( -1.694 -0.978 0.000) 1.957 24.835 ( 12.974 7.490 0.000) 14.981 25.382 ( -7.375 -4.258 0.000) 8.516 25.958 ( 11.997 6.926 0.000) 13.852 26.089 ( 6.371 3.678 0.000) 7.357 26.965 ( -9.637 -5.564 0.000) 11.128 30.521 ( 7.405 4.276 0.000) 8.551 30.559 ( 7.678 4.433 0.000) 8.866 31.797 ( 8.439 4.872 0.000) 9.744 32.434 ( -2.502 -1.444 0.000) 2.889 ======================= Grid point 6 (7/84) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 2.268 1.310 0.000) 2.619 3.363 ( 0.394 0.228 0.000) 0.455 3.546 ( 7.243 4.182 0.000) 8.364 3.714 ( 2.712 1.566 0.000) 3.131 4.032 ( 1.219 0.704 0.000) 1.407 4.121 ( 0.395 0.228 0.000) 0.457 4.263 ( -3.725 -2.151 0.000) 4.301 5.074 ( 1.710 0.987 0.000) 1.974 6.020 ( 5.194 2.999 0.000) 5.998 6.553 ( -3.505 -2.024 0.000) 4.048 7.032 ( -5.519 -3.186 0.000) 6.372 7.783 ( 3.610 2.084 0.000) 4.168 8.024 ( 4.175 2.411 0.000) 4.821 8.581 ( 9.156 5.286 0.000) 10.573 9.653 ( 5.703 3.293 0.000) 6.585 10.032 ( -14.915 -8.611 0.000) 17.223 10.323 ( 15.892 9.175 0.000) 18.350 11.503 ( -9.792 -5.654 0.000) 11.307 11.753 ( 4.797 2.770 0.000) 5.539 11.943 ( 4.281 2.472 0.000) 4.943 12.144 ( -8.414 -4.858 0.000) 9.715 13.153 ( -5.620 -3.245 0.000) 6.489 13.471 ( 16.872 9.741 0.000) 19.482 14.408 ( -14.639 -8.452 0.000) 16.903 14.813 ( 24.867 14.357 0.000) 28.714 15.882 ( -4.430 -2.558 0.000) 5.115 15.971 ( -33.530 -19.358 0.000) 38.717 17.153 ( -0.067 -0.039 0.000) 0.078 17.232 ( 30.234 17.456 0.000) 34.912 18.065 ( -33.173 -19.152 0.000) 38.305 20.900 ( 4.717 2.724 0.000) 5.447 20.917 ( 0.282 0.163 0.000) 0.325 21.110 ( -6.094 -3.519 0.000) 7.037 21.610 ( -0.660 -0.381 0.000) 0.763 22.023 ( 2.244 1.296 0.000) 2.591 22.395 ( 7.308 4.219 0.000) 8.439 22.549 ( -5.158 -2.978 0.000) 5.956 22.872 ( 1.126 0.650 0.000) 1.300 24.311 ( -0.742 -0.428 0.000) 0.856 25.016 ( 3.744 2.161 0.000) 4.323 25.274 ( -2.353 -1.358 0.000) 2.717 26.141 ( 4.187 2.417 0.000) 4.835 26.195 ( 2.559 1.478 0.000) 2.955 26.824 ( -3.001 -1.733 0.000) 3.465 30.639 ( 2.806 1.620 0.000) 3.240 30.680 ( 2.874 1.659 0.000) 3.318 31.920 ( 2.687 1.551 0.000) 3.103 32.393 ( -1.038 -0.599 0.000) 1.198 ======================= Grid point 14 (8/84) ======================= 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 18.695 32.381 0.000) 37.390 1.616 ( 18.720 32.423 0.000) 37.439 2.433 ( 20.349 35.245 0.000) 40.698 2.920 ( 4.855 8.409 0.000) 9.709 3.051 ( 7.871 13.633 0.000) 15.742 3.974 ( 3.556 6.160 0.000) 7.113 4.253 ( 13.167 22.806 0.000) 26.334 4.559 ( 18.979 32.873 0.000) 37.958 5.124 ( -3.531 -6.117 0.000) 7.063 5.133 ( 7.836 13.572 0.000) 15.671 5.502 ( 37.225 64.476 0.000) 74.451 5.742 ( 0.571 0.989 0.000) 1.142 6.589 ( 17.533 30.368 0.000) 35.066 8.086 ( -9.066 -15.702 0.000) 18.131 8.573 ( 0.193 0.335 0.000) 0.387 9.466 ( 7.279 12.607 0.000) 14.557 9.551 ( -1.578 -2.734 0.000) 3.157 9.576 ( -1.402 -2.428 0.000) 2.803 11.483 ( -2.209 -3.826 0.000) 4.418 11.947 ( -0.382 -0.662 0.000) 0.764 14.166 ( 0.705 1.221 0.000) 1.410 15.098 ( 4.421 7.657 0.000) 8.842 15.595 ( -15.454 -26.766 0.000) 30.907 15.899 ( -19.124 -33.124 0.000) 38.248 16.584 ( -27.510 -47.650 0.000) 55.021 16.734 ( -25.504 -44.174 0.000) 51.008 16.904 ( -3.930 -6.807 0.000) 7.860 17.379 ( -6.508 -11.273 0.000) 13.017 18.512 ( 3.332 5.772 0.000) 6.665 20.758 ( -2.304 -3.990 0.000) 4.608 20.770 ( -4.184 -7.248 0.000) 8.369 20.912 ( -4.480 -7.759 0.000) 8.960 21.137 ( -0.984 -1.704 0.000) 1.968 21.159 ( -0.678 -1.175 0.000) 1.357 21.611 ( 5.209 9.023 0.000) 10.419 21.920 ( 8.894 15.405 0.000) 17.788 21.987 ( 11.101 19.227 0.000) 22.202 21.991 ( 8.615 14.922 0.000) 17.230 22.719 ( 22.097 38.274 0.000) 44.195 24.456 ( -1.149 -1.989 0.000) 2.297 24.800 ( 5.761 9.978 0.000) 11.521 25.719 ( 1.450 2.512 0.000) 2.901 26.339 ( -7.724 -13.379 0.000) 15.448 28.275 ( -13.423 -23.249 0.000) 26.845 29.867 ( 4.229 7.324 0.000) 8.457 29.873 ( 4.265 7.388 0.000) 8.531 30.484 ( 14.256 24.693 0.000) 28.513 32.605 ( -0.861 -1.492 0.000) 1.723 ======================= Grid point 15 (9/84) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 23.508 26.927 0.000) 35.745 2.161 ( 16.558 16.612 0.000) 23.455 2.915 ( 12.230 15.042 0.000) 19.386 3.115 ( 6.951 9.349 0.000) 11.650 3.322 ( 10.692 8.614 0.000) 13.731 4.087 ( 3.595 2.912 0.000) 4.627 4.689 ( 11.950 15.428 0.000) 19.515 4.914 ( -8.655 -8.481 0.000) 12.117 5.258 ( 24.787 24.095 0.000) 34.568 5.535 ( 20.353 20.977 0.000) 29.227 5.818 ( 7.221 7.745 0.000) 10.589 6.846 ( 44.054 53.229 0.000) 69.095 7.443 ( 36.549 44.971 0.000) 57.950 7.770 ( -10.189 -14.851 0.000) 18.010 8.609 ( 2.862 6.473 0.000) 7.077 9.489 ( -3.938 2.417 0.000) 4.621 9.603 ( 8.046 2.109 0.000) 8.318 9.694 ( 6.999 7.463 0.000) 10.231 11.413 ( -1.539 -2.733 0.000) 3.136 11.911 ( -2.620 -2.159 0.000) 3.395 14.091 ( -9.618 -10.086 0.000) 13.937 15.033 ( -21.991 -16.489 0.000) 27.486 15.085 ( -34.403 -34.835 0.000) 48.960 15.309 ( 10.106 10.116 0.000) 14.299 15.581 ( -30.604 -50.099 0.000) 58.707 15.833 ( -28.046 -43.511 0.000) 51.767 16.884 ( 1.392 2.688 0.000) 3.027 17.120 ( -13.157 -7.681 0.000) 15.235 18.472 ( -12.902 0.881 0.000) 12.932 20.471 ( -25.453 -0.882 0.000) 25.469 20.659 ( 2.032 -10.955 0.000) 11.142 20.876 ( 6.425 -10.217 0.000) 12.069 21.132 ( 4.963 -6.914 0.000) 8.511 21.187 ( 10.711 -10.693 0.000) 15.135 21.766 ( 1.705 10.325 0.000) 10.465 22.084 ( -6.806 24.354 0.000) 25.288 22.304 ( 11.253 12.970 0.000) 17.171 22.402 ( 17.157 4.720 0.000) 17.794 23.506 ( 27.116 35.088 0.000) 44.345 24.418 ( -0.624 -2.580 0.000) 2.655 25.070 ( 12.276 14.166 0.000) 18.745 25.782 ( 2.927 2.928 0.000) 4.140 26.035 ( -11.666 -14.223 0.000) 18.395 27.815 ( -16.103 -19.036 0.000) 24.933 30.045 ( 6.801 9.787 0.000) 11.918 30.054 ( 7.187 9.613 0.000) 12.003 30.965 ( 16.892 18.655 0.000) 25.167 32.565 ( -1.538 -2.571 0.000) 2.995 ======================= Grid point 16 (10/84) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 9.731 11.181 0.000) 14.823 2.539 ( 22.898 21.986 0.000) 31.744 3.201 ( 7.806 8.794 0.000) 11.759 3.308 ( 6.569 8.155 0.000) 10.472 3.586 ( 12.755 5.260 0.000) 13.797 4.135 ( 0.849 -0.360 0.000) 0.922 4.683 ( -8.785 -7.990 0.000) 11.875 4.917 ( 4.293 6.155 0.000) 7.504 5.636 ( 6.957 5.276 0.000) 8.731 6.162 ( 26.938 19.554 0.000) 33.287 6.310 ( 28.514 22.277 0.000) 36.185 7.496 ( -5.391 -10.515 0.000) 11.817 7.690 ( 12.666 14.109 0.000) 18.961 8.218 ( 9.970 12.517 0.000) 16.003 9.103 ( 35.446 40.346 0.000) 53.705 9.509 ( 3.633 3.188 0.000) 4.833 9.802 ( 1.292 -1.003 0.000) 1.636 10.079 ( 32.753 31.591 0.000) 45.505 11.405 ( 1.686 1.594 0.000) 2.321 11.812 ( -4.871 -4.419 0.000) 6.577 13.545 ( -31.008 -25.454 0.000) 40.117 14.201 ( -32.162 -27.031 0.000) 42.013 14.394 ( -32.343 -33.632 0.000) 46.660 14.921 ( -5.298 -12.511 0.000) 13.586 15.022 ( -22.481 -33.338 0.000) 40.210 15.657 ( 16.740 13.511 0.000) 21.512 16.805 ( -16.675 -4.512 0.000) 17.275 16.950 ( 1.953 3.493 0.000) 4.002 18.105 ( -29.369 -1.862 0.000) 29.428 19.950 ( -32.524 -5.703 0.000) 33.020 20.622 ( 7.537 -13.699 0.000) 15.636 20.878 ( 3.295 -5.580 0.000) 6.480 21.151 ( 7.177 -11.520 0.000) 13.573 21.280 ( 16.436 -18.890 0.000) 25.040 21.874 ( -0.346 10.350 0.000) 10.355 22.187 ( -6.152 20.135 0.000) 21.053 22.583 ( 9.240 8.114 0.000) 12.297 22.627 ( 6.137 2.699 0.000) 6.704 24.246 ( 22.116 29.892 0.000) 37.184 24.386 ( -0.517 -2.038 0.000) 2.103 25.452 ( 15.233 14.079 0.000) 20.743 25.706 ( -10.789 -12.624 0.000) 16.606 25.876 ( 4.926 3.025 0.000) 5.781 27.388 ( -14.507 -15.203 0.000) 21.014 30.271 ( 7.352 11.535 0.000) 13.679 30.286 ( 8.079 10.983 0.000) 13.635 31.384 ( 14.707 12.164 0.000) 19.086 32.505 ( -1.866 -3.908 0.000) 4.331 ======================= Grid point 17 (11/84) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 5.074 10.062 0.000) 11.269 3.079 ( 18.555 16.630 0.000) 24.917 3.338 ( 1.747 5.059 0.000) 5.352 3.508 ( 8.018 5.946 0.000) 9.982 3.830 ( 10.874 2.729 0.000) 11.211 4.125 ( -0.445 -1.319 0.000) 1.392 4.474 ( -7.621 -6.431 0.000) 9.972 5.004 ( 1.757 3.352 0.000) 3.785 5.786 ( 6.564 5.481 0.000) 8.552 6.586 ( 7.620 -2.011 0.000) 7.881 6.934 ( 20.564 12.989 0.000) 24.323 7.548 ( 16.811 8.196 0.000) 18.702 7.711 ( -5.266 -6.181 0.000) 8.120 8.327 ( 1.130 3.254 0.000) 3.445 9.692 ( 13.820 5.249 0.000) 14.783 9.706 ( -4.293 -8.473 0.000) 9.498 10.040 ( 22.187 23.378 0.000) 32.230 11.092 ( 37.050 36.099 0.000) 51.728 11.506 ( 5.755 7.278 0.000) 9.279 11.740 ( 2.041 0.981 0.000) 2.264 12.762 ( -30.185 -21.367 0.000) 36.982 13.549 ( -19.306 -18.065 0.000) 26.440 13.567 ( -22.647 -31.926 0.000) 39.143 14.522 ( -8.187 -10.567 0.000) 13.367 14.805 ( -5.909 -1.556 0.000) 6.110 16.079 ( 11.284 13.770 0.000) 17.803 16.546 ( -5.815 2.509 0.000) 6.333 16.981 ( -4.359 2.240 0.000) 4.901 17.499 ( -35.605 -5.288 0.000) 35.996 19.280 ( -37.512 -10.835 0.000) 39.046 20.642 ( 11.169 -14.582 0.000) 18.368 20.886 ( 2.337 -2.445 0.000) 3.383 21.125 ( 3.926 -13.570 0.000) 14.126 21.348 ( 15.495 -22.894 0.000) 27.645 21.964 ( 0.087 8.859 0.000) 8.859 22.284 ( -2.257 14.953 0.000) 15.123 22.689 ( -1.304 3.021 0.000) 3.290 22.763 ( 5.605 3.625 0.000) 6.675 24.359 ( -1.110 -0.684 0.000) 1.303 24.789 ( 11.400 23.210 0.000) 25.859 25.424 ( -7.066 -10.963 0.000) 13.043 25.836 ( 12.971 11.374 0.000) 17.252 26.007 ( 6.995 2.959 0.000) 7.595 27.049 ( -10.243 -11.450 0.000) 15.363 30.498 ( 5.537 12.084 0.000) 13.292 30.519 ( 6.414 10.997 0.000) 12.731 31.684 ( 10.570 5.937 0.000) 12.123 32.432 ( -1.426 -5.153 0.000) 5.347 ======================= Grid point 18 (12/84) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 0.927 9.093 0.000) 9.140 3.386 ( -0.735 3.665 0.000) 3.738 3.463 ( 10.947 10.646 0.000) 15.270 3.661 ( 5.161 1.979 0.000) 5.528 3.979 ( 5.375 -0.318 0.000) 5.384 4.113 ( 0.376 -0.742 0.000) 0.832 4.308 ( -5.421 -4.747 0.000) 7.206 5.064 ( 1.701 3.114 0.000) 3.548 5.967 ( 6.856 6.874 0.000) 9.709 6.517 ( -1.096 -11.947 0.000) 11.997 7.102 ( -5.179 -2.347 0.000) 5.686 7.665 ( 7.589 -4.425 0.000) 8.785 7.979 ( 12.383 11.880 0.000) 17.160 8.431 ( 9.845 2.944 0.000) 10.276 9.561 ( 1.078 -8.691 0.000) 8.758 10.065 ( 21.754 6.845 0.000) 22.805 10.148 ( -10.057 -10.076 0.000) 14.236 11.568 ( -4.075 -4.789 0.000) 6.288 11.713 ( 6.416 8.143 0.000) 10.367 11.900 ( 6.719 7.893 0.000) 10.365 12.260 ( -13.271 -8.898 0.000) 15.978 13.180 ( -7.628 -12.593 0.000) 14.723 13.289 ( 12.322 3.847 0.000) 12.908 14.613 ( -14.769 -3.443 0.000) 15.165 14.649 ( 16.748 21.191 0.000) 27.010 16.069 ( -13.237 6.936 0.000) 14.944 16.529 ( -44.780 -6.209 0.000) 45.208 16.921 ( 27.682 19.194 0.000) 33.685 17.157 ( -2.209 -1.220 0.000) 2.524 18.504 ( -39.335 -14.822 0.000) 42.035 20.712 ( 15.143 -17.257 0.000) 22.959 20.906 ( 1.453 -0.467 0.000) 1.526 21.028 ( -0.995 -10.321 0.000) 10.369 21.363 ( 13.852 -24.153 0.000) 27.843 22.041 ( 0.049 6.174 0.000) 6.174 22.398 ( 1.392 9.454 0.000) 9.556 22.661 ( -5.833 4.458 0.000) 7.341 22.850 ( 2.630 0.592 0.000) 2.696 24.337 ( -1.632 0.904 0.000) 1.865 25.079 ( 0.726 16.810 0.000) 16.826 25.254 ( -1.696 -8.713 0.000) 8.876 26.094 ( 6.772 6.826 0.000) 9.615 26.145 ( 5.567 2.060 0.000) 5.936 26.834 ( -4.012 -7.865 0.000) 8.829 30.671 ( 1.224 11.048 0.000) 11.115 30.694 ( 2.174 9.411 0.000) 9.659 31.855 ( 6.077 0.796 0.000) 6.129 32.366 ( 0.229 -5.683 0.000) 5.688 ======================= Grid point 19 (13/84) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( -3.949 6.839 0.000) 7.897 3.395 ( -1.774 3.072 0.000) 3.548 3.617 ( -1.703 2.951 0.000) 3.407 3.713 ( 0.860 -1.490 0.000) 1.720 4.019 ( 1.124 -1.946 0.000) 2.247 4.115 ( 0.585 -1.014 0.000) 1.171 4.230 ( 0.710 -1.230 0.000) 1.420 5.100 ( -0.977 1.692 0.000) 1.954 6.079 ( -1.641 2.843 0.000) 3.283 6.437 ( 5.367 -9.296 0.000) 10.734 6.997 ( 0.117 -0.203 0.000) 0.234 7.728 ( 4.329 -7.498 0.000) 8.658 8.113 ( -3.678 6.370 0.000) 7.355 8.583 ( 2.889 -5.004 0.000) 5.778 9.617 ( 5.470 -9.474 0.000) 10.939 9.872 ( 2.636 -4.567 0.000) 5.273 10.361 ( 3.262 -5.649 0.000) 6.523 11.373 ( 3.782 -6.550 0.000) 7.564 11.815 ( -1.942 3.364 0.000) 3.885 11.993 ( -1.484 2.570 0.000) 2.968 12.080 ( 0.934 -1.618 0.000) 1.868 13.052 ( 3.639 -6.302 0.000) 7.277 13.602 ( -1.115 1.930 0.000) 2.229 14.374 ( -3.574 6.191 0.000) 7.148 15.154 ( -8.737 15.133 0.000) 17.474 15.874 ( -7.822 13.548 0.000) 15.644 15.981 ( -6.793 11.766 0.000) 13.587 17.145 ( 0.410 -0.710 0.000) 0.820 17.539 ( -3.354 5.809 0.000) 6.708 17.815 ( -1.267 2.194 0.000) 2.534 20.778 ( 15.806 -27.376 0.000) 31.611 20.917 ( 0.085 -0.147 0.000) 0.170 20.945 ( -0.676 1.170 0.000) 1.351 21.359 ( 13.965 -24.187 0.000) 27.929 22.073 ( -2.190 3.794 0.000) 4.381 22.475 ( -1.182 2.048 0.000) 2.365 22.615 ( -5.328 9.228 0.000) 10.655 22.873 ( 0.588 -1.019 0.000) 1.177 24.327 ( -1.153 1.997 0.000) 2.306 25.162 ( -7.001 12.126 0.000) 14.001 25.198 ( 3.542 -6.135 0.000) 7.084 26.185 ( -1.130 1.956 0.000) 2.259 26.205 ( 0.269 -0.466 0.000) 0.538 26.763 ( 2.584 -4.476 0.000) 5.169 30.737 ( -4.757 8.240 0.000) 9.515 30.760 ( -3.690 6.392 0.000) 7.380 31.908 ( 1.577 -2.732 0.000) 3.155 32.339 ( 2.812 -4.870 0.000) 5.623 ======================= Grid point 29 (14/84) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 16.310 28.250 0.000) 32.621 2.475 ( 8.942 15.487 0.000) 17.883 3.176 ( 6.856 11.876 0.000) 13.713 3.305 ( 5.391 9.337 0.000) 10.782 3.484 ( 5.179 8.970 0.000) 10.358 4.122 ( 0.326 0.565 0.000) 0.653 4.720 ( -6.091 -10.550 0.000) 12.182 4.914 ( 4.509 7.810 0.000) 9.018 5.593 ( 5.505 9.535 0.000) 11.011 6.018 ( 15.736 27.255 0.000) 31.471 6.172 ( 16.313 28.255 0.000) 32.627 7.485 ( -7.429 -12.867 0.000) 14.857 7.646 ( 13.304 23.043 0.000) 26.607 8.191 ( 11.835 20.498 0.000) 23.669 9.016 ( 24.737 42.846 0.000) 49.474 9.504 ( -0.011 -0.019 0.000) 0.022 9.782 ( 0.294 0.509 0.000) 0.588 9.954 ( 21.683 37.556 0.000) 43.366 11.397 ( 1.054 1.826 0.000) 2.109 11.834 ( -3.439 -5.957 0.000) 6.878 13.689 ( -17.578 -30.446 0.000) 35.156 14.361 ( -22.266 -38.566 0.000) 44.533 14.524 ( -31.137 -53.931 0.000) 62.275 14.875 ( -1.463 -2.534 0.000) 2.926 15.024 ( -20.973 -36.326 0.000) 41.946 15.575 ( 9.934 17.206 0.000) 19.868 16.941 ( -6.293 -10.900 0.000) 12.586 16.950 ( 2.127 3.683 0.000) 4.253 18.408 ( -5.450 -9.439 0.000) 10.899 20.413 ( -7.254 -12.564 0.000) 14.508 20.463 ( -6.599 -11.429 0.000) 13.198 20.545 ( -7.078 -12.259 0.000) 14.156 21.049 ( -1.268 -2.196 0.000) 2.536 21.052 ( -2.058 -3.565 0.000) 4.117 21.929 ( 3.854 6.675 0.000) 7.708 22.424 ( 2.537 4.394 0.000) 5.073 22.517 ( 7.416 12.844 0.000) 14.831 22.539 ( 6.231 10.793 0.000) 12.462 24.212 ( 20.809 36.042 0.000) 41.618 24.375 ( -0.906 -1.569 0.000) 1.812 25.392 ( 10.630 18.412 0.000) 21.261 25.734 ( -9.331 -16.162 0.000) 18.662 25.847 ( 2.189 3.791 0.000) 4.378 27.437 ( -11.145 -19.304 0.000) 22.290 30.271 ( 7.566 13.105 0.000) 15.132 30.275 ( 7.420 12.852 0.000) 14.840 31.314 ( 9.568 16.573 0.000) 19.137 32.499 ( -2.472 -4.282 0.000) 4.945 ======================= Grid point 30 (15/84) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 6.915 13.749 0.000) 15.391 2.972 ( 16.123 22.005 0.000) 27.280 3.363 ( 3.459 7.888 0.000) 8.613 3.462 ( 4.626 6.827 0.000) 8.247 3.682 ( 9.460 5.297 0.000) 10.842 4.113 ( -0.374 -1.940 0.000) 1.975 4.522 ( -6.411 -8.412 0.000) 10.577 5.015 ( 1.678 4.103 0.000) 4.433 5.744 ( 5.312 6.622 0.000) 8.489 6.441 ( 9.062 5.505 0.000) 10.603 6.743 ( 19.379 21.173 0.000) 28.703 7.395 ( 7.454 4.062 0.000) 8.489 7.743 ( -5.419 -7.009 0.000) 8.860 8.355 ( 0.879 4.086 0.000) 4.180 9.562 ( 6.161 3.509 0.000) 7.090 9.692 ( -4.970 -9.635 0.000) 10.841 9.937 ( 23.747 35.457 0.000) 42.675 10.907 ( 33.166 47.753 0.000) 58.140 11.494 ( 4.700 7.757 0.000) 9.070 11.728 ( -0.772 -1.723 0.000) 1.888 13.014 ( -26.100 -28.119 0.000) 38.365 13.565 ( -22.796 -43.660 0.000) 49.253 13.668 ( -20.179 -27.506 0.000) 34.114 14.528 ( -7.097 -13.225 0.000) 15.010 14.872 ( -1.501 1.661 0.000) 2.239 15.982 ( 16.488 20.668 0.000) 26.439 16.713 ( -10.387 -5.330 0.000) 11.674 17.014 ( 1.333 2.830 0.000) 3.129 18.064 ( -27.823 -4.373 0.000) 28.165 19.885 ( -41.090 -1.508 0.000) 41.118 20.220 ( 6.658 -25.526 0.000) 26.380 20.575 ( 20.811 -28.327 0.000) 35.150 21.007 ( 1.691 -6.441 0.000) 6.659 21.023 ( 0.398 -2.732 0.000) 2.761 22.036 ( 1.342 7.069 0.000) 7.195 22.451 ( -2.823 6.619 0.000) 7.196 22.708 ( 4.909 4.541 0.000) 6.687 22.719 ( 3.563 6.889 0.000) 7.756 24.360 ( 0.157 -0.299 0.000) 0.338 24.844 ( 14.788 30.398 0.000) 33.804 25.432 ( -8.502 -13.943 0.000) 16.331 25.752 ( 11.753 15.057 0.000) 19.101 25.932 ( 4.395 2.809 0.000) 5.216 27.088 ( -9.988 -15.307 0.000) 18.277 30.533 ( 7.171 14.124 0.000) 15.840 30.535 ( 6.973 15.207 0.000) 16.729 31.587 ( 8.331 8.415 0.000) 11.842 32.403 ( -2.541 -6.613 0.000) 7.085 ======================= Grid point 31 (16/84) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 2.507 13.934 0.000) 14.158 3.395 ( 12.106 15.610 0.000) 19.755 3.449 ( -0.673 6.253 0.000) 6.289 3.595 ( 5.048 2.766 0.000) 5.756 3.865 ( 7.709 1.162 0.000) 7.796 4.086 ( 0.450 -2.940 0.000) 2.974 4.347 ( -5.638 -6.681 0.000) 8.742 5.078 ( 1.360 4.610 0.000) 4.807 5.925 ( 7.179 9.081 0.000) 11.576 6.402 ( -2.191 -14.952 0.000) 15.111 7.123 ( 5.424 6.241 0.000) 8.269 7.522 ( -2.515 -12.711 0.000) 12.958 7.802 ( 21.810 16.327 0.000) 27.244 8.391 ( 0.154 3.367 0.000) 3.370 9.473 ( -4.431 -14.590 0.000) 15.249 9.798 ( 16.062 6.460 0.000) 17.313 10.194 ( -6.481 -8.539 0.000) 10.720 11.567 ( 2.403 3.030 0.000) 3.867 11.691 ( 6.901 10.255 0.000) 12.361 11.874 ( 8.069 12.277 0.000) 14.691 12.405 ( -17.649 -16.190 0.000) 23.950 13.132 ( 7.208 -1.788 0.000) 7.427 13.185 ( -10.954 -18.357 0.000) 21.377 14.611 ( 13.278 21.405 0.000) 25.189 14.799 ( -8.874 -0.499 0.000) 8.888 16.357 ( -6.812 12.787 0.000) 14.488 16.690 ( 18.799 14.807 0.000) 23.930 17.027 ( -5.603 2.167 0.000) 6.007 17.429 ( -39.556 -3.136 0.000) 39.680 19.113 ( -45.684 -6.716 0.000) 46.175 20.135 ( 17.382 -34.742 0.000) 38.848 20.654 ( 22.125 -30.106 0.000) 37.362 20.969 ( 1.503 -7.228 0.000) 7.382 21.000 ( -0.720 -1.428 0.000) 1.599 22.117 ( -0.230 7.646 0.000) 7.650 22.480 ( -1.034 6.178 0.000) 6.264 22.783 ( -2.181 5.329 0.000) 5.758 22.795 ( 3.385 -0.567 0.000) 3.432 24.369 ( -0.250 1.920 0.000) 1.936 25.194 ( -4.208 -12.289 0.000) 12.990 25.263 ( 3.138 24.579 0.000) 24.778 26.049 ( 8.285 10.300 0.000) 13.218 26.053 ( 7.035 1.830 0.000) 7.269 26.819 ( -6.028 -12.014 0.000) 13.442 30.767 ( 3.681 14.285 0.000) 14.751 30.779 ( 3.167 16.423 0.000) 16.725 31.753 ( 6.176 0.990 0.000) 6.255 32.294 ( -0.938 -9.008 0.000) 9.056 ======================= Grid point 32 (17/84) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( -3.361 12.908 0.000) 13.338 3.476 ( -2.615 5.579 0.000) 6.162 3.657 ( 3.833 9.181 0.000) 9.949 3.669 ( 2.591 -0.794 0.000) 2.710 3.955 ( 3.891 -2.260 0.000) 4.499 4.075 ( 1.728 -3.470 0.000) 3.876 4.216 ( -2.436 -4.703 0.000) 5.296 5.144 ( -0.218 5.358 0.000) 5.363 6.123 ( 3.428 9.098 0.000) 9.722 6.233 ( 2.838 -16.384 0.000) 16.628 7.027 ( -6.752 -5.257 0.000) 8.557 7.526 ( 8.689 -9.080 0.000) 12.567 8.214 ( 5.942 11.961 0.000) 13.356 8.445 ( 5.085 -1.727 0.000) 5.370 9.369 ( 8.409 -10.459 0.000) 13.420 9.845 ( -10.652 -18.503 0.000) 21.350 10.159 ( 16.397 3.178 0.000) 16.702 11.278 ( -8.379 -21.036 0.000) 22.643 11.868 ( 2.399 7.705 0.000) 8.070 12.043 ( 0.412 5.774 0.000) 5.789 12.076 ( -6.137 -8.910 0.000) 10.819 12.943 ( -1.061 -10.735 0.000) 10.787 13.571 ( 15.575 20.448 0.000) 25.705 14.574 ( -13.743 -1.091 0.000) 13.786 15.283 ( 22.017 41.195 0.000) 46.709 16.267 ( -11.079 12.005 0.000) 16.336 16.488 ( -47.944 1.715 0.000) 47.975 17.132 ( -0.630 -1.401 0.000) 1.536 17.380 ( 30.444 29.141 0.000) 42.143 18.255 ( -45.019 -10.917 0.000) 46.324 20.112 ( 22.163 -39.179 0.000) 45.013 20.723 ( 23.481 -35.729 0.000) 42.754 20.923 ( -0.456 -2.925 0.000) 2.960 20.978 ( -1.392 0.914 0.000) 1.665 22.169 ( -2.485 7.354 0.000) 7.762 22.524 ( -0.855 4.846 0.000) 4.921 22.776 ( -3.919 5.208 0.000) 6.518 22.822 ( 2.631 -3.506 0.000) 4.383 24.382 ( -1.694 3.789 0.000) 4.151 25.064 ( 1.956 -10.360 0.000) 10.543 25.440 ( -6.514 19.377 0.000) 20.443 26.171 ( 4.173 0.727 0.000) 4.236 26.213 ( 2.003 5.234 0.000) 5.604 26.665 ( 0.439 -9.466 0.000) 9.476 30.911 ( -2.645 12.579 0.000) 12.854 30.933 ( -3.845 15.487 0.000) 15.958 31.822 ( 4.223 -4.106 0.000) 5.891 32.215 ( 2.928 -9.884 0.000) 10.309 ======================= Grid point 43 (18/84) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 7.794 13.499 0.000) 15.587 3.368 ( 10.644 18.436 0.000) 21.288 3.500 ( 3.393 5.877 0.000) 6.787 3.558 ( 2.042 3.537 0.000) 4.084 3.793 ( 3.193 5.530 0.000) 6.386 4.063 ( -1.771 -3.067 0.000) 3.541 4.362 ( -4.606 -7.977 0.000) 9.211 5.092 ( 2.552 4.420 0.000) 5.104 5.908 ( 6.048 10.476 0.000) 12.097 6.342 ( -7.269 -12.591 0.000) 14.539 7.091 ( 8.045 13.934 0.000) 16.090 7.494 ( -9.764 -16.912 0.000) 19.529 7.683 ( 12.793 22.157 0.000) 25.585 8.416 ( 1.521 2.635 0.000) 3.042 9.438 ( -8.618 -14.926 0.000) 17.235 9.690 ( 6.028 10.441 0.000) 12.056 10.206 ( -4.712 -8.162 0.000) 9.425 11.560 ( 4.105 7.111 0.000) 8.211 11.682 ( 6.235 10.799 0.000) 12.469 11.866 ( 8.227 14.250 0.000) 16.455 12.489 ( -14.637 -25.352 0.000) 29.274 13.051 ( 1.159 2.008 0.000) 2.318 13.189 ( -11.962 -20.719 0.000) 23.924 14.604 ( 12.458 21.578 0.000) 24.916 14.875 ( -1.579 -2.734 0.000) 3.157 16.480 ( 17.790 30.814 0.000) 35.581 16.603 ( -3.042 -5.269 0.000) 6.085 17.055 ( 0.796 1.379 0.000) 1.592 17.863 ( -10.499 -18.185 0.000) 20.999 19.733 ( -13.014 -22.540 0.000) 26.027 19.851 ( -11.582 -20.060 0.000) 23.164 19.909 ( -12.015 -20.810 0.000) 24.029 20.943 ( -1.034 -1.791 0.000) 2.069 21.001 ( -0.112 -0.194 0.000) 0.224 22.163 ( 3.577 6.195 0.000) 7.153 22.524 ( 1.572 2.723 0.000) 3.144 22.756 ( 0.336 0.582 0.000) 0.672 22.827 ( 1.811 3.136 0.000) 3.622 24.380 ( 1.292 2.238 0.000) 2.584 25.170 ( -7.260 -12.574 0.000) 14.519 25.373 ( 13.418 23.240 0.000) 26.835 25.989 ( 1.920 3.326 0.000) 3.841 26.027 ( 7.306 12.654 0.000) 14.612 26.811 ( -7.558 -13.091 0.000) 15.116 30.812 ( 8.160 14.134 0.000) 16.321 30.839 ( 9.053 15.679 0.000) 18.105 31.700 ( 1.837 3.182 0.000) 3.674 32.253 ( -4.969 -8.606 0.000) 9.937 ======================= Grid point 44 (19/84) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 2.305 14.391 0.000) 14.574 3.572 ( -1.231 6.103 0.000) 6.226 3.624 ( 2.846 1.013 0.000) 3.021 3.671 ( 7.070 12.728 0.000) 14.560 3.871 ( 3.087 -0.877 0.000) 3.209 4.004 ( 0.205 -5.750 0.000) 5.754 4.216 ( -4.077 -6.923 0.000) 8.034 5.197 ( 2.401 8.050 0.000) 8.401 6.071 ( -4.782 -18.209 0.000) 18.827 6.140 ( 7.136 12.984 0.000) 14.816 7.111 ( -12.228 -11.395 0.000) 16.715 7.312 ( 7.650 -3.999 0.000) 8.632 8.118 ( 14.667 14.798 0.000) 20.835 8.458 ( -0.764 3.688 0.000) 3.767 9.196 ( -1.446 -12.034 0.000) 12.121 9.846 ( -13.379 -23.098 0.000) 26.693 9.964 ( 13.134 11.095 0.000) 17.193 11.239 ( -14.948 -27.795 0.000) 31.559 11.885 ( 5.260 9.685 0.000) 11.021 12.082 ( 2.631 7.001 0.000) 7.480 12.095 ( -8.734 -13.783 0.000) 16.317 12.887 ( -5.196 -11.811 0.000) 12.903 13.520 ( 19.551 30.809 0.000) 36.489 14.738 ( -9.198 -6.615 0.000) 11.330 15.294 ( 26.233 45.736 0.000) 52.725 16.507 ( -6.382 3.966 0.000) 7.514 17.057 ( -3.994 0.863 0.000) 4.086 17.196 ( 27.687 36.076 0.000) 45.476 17.335 ( -34.214 -7.883 0.000) 35.110 19.014 ( -52.554 -3.606 0.000) 52.678 19.410 ( 9.696 -37.585 0.000) 38.816 19.894 ( 26.669 -44.907 0.000) 52.229 20.918 ( -0.447 -0.945 0.000) 1.046 21.002 ( -0.341 0.784 0.000) 0.855 22.272 ( 0.597 8.432 0.000) 8.454 22.581 ( 0.589 5.069 0.000) 5.103 22.742 ( 0.908 -4.654 0.000) 4.742 22.841 ( -1.306 0.207 0.000) 1.322 24.437 ( 0.848 5.087 0.000) 5.158 24.962 ( -3.129 -11.507 0.000) 11.925 25.705 ( 0.146 20.482 0.000) 20.483 26.079 ( 6.606 0.957 0.000) 6.675 26.222 ( 3.997 7.236 0.000) 8.267 26.590 ( -4.242 -11.646 0.000) 12.395 31.054 ( 2.971 14.886 0.000) 15.180 31.115 ( 3.388 17.876 0.000) 18.194 31.719 ( 1.769 -4.529 0.000) 4.862 32.086 ( -1.999 -12.444 0.000) 12.603 ======================= Grid point 45 (20/84) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( -6.749 11.690 0.000) 13.498 3.594 ( -3.638 6.301 0.000) 7.275 3.651 ( 0.211 -0.366 0.000) 0.422 3.811 ( -3.724 6.451 0.000) 7.448 3.889 ( 2.481 -4.297 0.000) 4.962 3.975 ( 3.899 -6.753 0.000) 7.797 4.129 ( 2.398 -4.154 0.000) 4.796 5.276 ( -4.636 8.029 0.000) 9.272 5.919 ( 8.657 -14.995 0.000) 17.315 6.305 ( -5.228 9.055 0.000) 10.455 6.900 ( 4.333 -7.506 0.000) 8.667 7.363 ( 3.748 -6.492 0.000) 7.496 8.364 ( 2.148 -3.721 0.000) 4.297 8.433 ( -4.625 8.011 0.000) 9.250 9.187 ( 4.377 -7.582 0.000) 8.755 9.532 ( 6.963 -12.061 0.000) 13.927 10.206 ( -1.219 2.112 0.000) 2.438 10.888 ( 9.671 -16.750 0.000) 19.341 11.951 ( 2.305 -3.993 0.000) 4.611 11.996 ( -2.906 5.033 0.000) 5.811 12.117 ( -1.239 2.147 0.000) 2.479 12.786 ( 3.106 -5.379 0.000) 6.212 13.928 ( -8.319 14.408 0.000) 16.637 14.552 ( 0.839 -1.452 0.000) 1.677 16.020 ( -15.038 26.047 0.000) 30.076 16.472 ( -4.618 7.998 0.000) 9.236 16.656 ( -11.269 19.519 0.000) 22.538 17.107 ( 0.539 -0.933 0.000) 1.078 18.036 ( -11.549 20.004 0.000) 23.098 18.122 ( -9.144 15.838 0.000) 18.288 19.314 ( 23.165 -40.123 0.000) 46.331 19.901 ( 26.892 -46.579 0.000) 53.785 20.909 ( 0.120 -0.208 0.000) 0.240 21.003 ( -0.696 1.205 0.000) 1.392 22.324 ( -4.733 8.198 0.000) 9.466 22.618 ( -2.836 4.913 0.000) 5.673 22.722 ( 3.702 -6.413 0.000) 7.405 22.822 ( 0.180 -0.311 0.000) 0.359 24.477 ( -3.287 5.694 0.000) 6.575 24.872 ( 5.211 -9.025 0.000) 10.422 25.795 ( -9.620 16.662 0.000) 19.240 26.169 ( 0.797 -1.380 0.000) 1.593 26.291 ( -1.616 2.799 0.000) 3.232 26.479 ( 5.282 -9.148 0.000) 10.563 31.160 ( -7.192 12.456 0.000) 14.383 31.244 ( -9.059 15.690 0.000) 18.117 31.703 ( 4.466 -7.735 0.000) 8.932 31.995 ( 7.059 -12.226 0.000) 14.117 ======================= Grid point 58 (21/84) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( 3.737 6.472 0.000) 7.473 3.656 ( 2.820 4.884 0.000) 5.640 3.691 ( 2.368 4.102 0.000) 4.737 3.829 ( -1.711 -2.963 0.000) 3.422 3.869 ( -4.213 -7.297 0.000) 8.426 3.884 ( 5.214 9.032 0.000) 10.429 4.078 ( -4.082 -7.070 0.000) 8.164 5.392 ( 6.523 11.298 0.000) 13.046 5.734 ( -8.797 -15.237 0.000) 17.594 6.416 ( 8.431 14.603 0.000) 16.862 6.800 ( -9.507 -16.467 0.000) 19.014 7.300 ( 0.089 0.155 0.000) 0.178 8.309 ( 2.501 4.332 0.000) 5.002 8.530 ( 1.491 2.582 0.000) 2.981 9.105 ( 2.562 4.438 0.000) 5.125 9.413 ( -11.146 -19.305 0.000) 22.291 10.234 ( 9.307 16.120 0.000) 18.614 10.710 ( -13.751 -23.818 0.000) 27.502 11.914 ( -2.719 -4.710 0.000) 5.438 12.047 ( 3.657 6.335 0.000) 7.314 12.136 ( -0.453 -0.784 0.000) 0.905 12.734 ( -2.279 -3.947 0.000) 4.558 14.077 ( 13.850 23.988 0.000) 27.699 14.531 ( -8.209 -14.219 0.000) 16.419 16.220 ( 25.903 44.865 0.000) 51.806 16.552 ( 0.590 1.021 0.000) 1.179 16.994 ( -10.604 -18.367 0.000) 21.209 17.111 ( -3.388 -5.869 0.000) 6.776 18.018 ( 27.313 47.308 0.000) 54.627 18.822 ( -10.653 -18.451 0.000) 21.306 18.963 ( -14.176 -24.554 0.000) 28.353 18.975 ( -15.099 -26.152 0.000) 30.198 20.907 ( -0.139 -0.240 0.000) 0.277 21.015 ( 0.250 0.434 0.000) 0.501 22.435 ( 4.445 7.700 0.000) 8.891 22.627 ( -3.743 -6.484 0.000) 7.487 22.683 ( 2.921 5.059 0.000) 5.841 22.801 ( -2.097 -3.632 0.000) 4.194 24.558 ( 3.901 6.757 0.000) 7.802 24.759 ( -5.105 -8.842 0.000) 10.209 26.035 ( 6.684 11.577 0.000) 13.368 26.098 ( 1.331 2.305 0.000) 2.662 26.319 ( 1.503 2.603 0.000) 3.006 26.370 ( -6.042 -10.466 0.000) 12.085 31.322 ( 6.802 11.781 0.000) 13.603 31.448 ( 8.891 15.400 0.000) 17.782 31.588 ( -4.703 -8.146 0.000) 9.406 31.825 ( -7.755 -13.433 0.000) 15.511 ======================= Grid point 181 (22/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.000 0.000 34.463) 34.463 0.674 ( 0.000 0.000 34.463) 34.463 1.662 ( 0.000 0.000 86.492) 86.492 2.597 ( 0.000 -0.000 -15.279) 15.279 2.597 ( 0.000 -0.000 -15.279) 15.279 3.891 ( 0.000 0.000 7.174) 7.174 3.891 ( 0.000 -0.000 7.174) 7.174 3.992 ( 0.000 0.000 14.393) 14.393 3.992 ( 0.000 0.000 14.393) 14.393 4.993 ( 0.000 -0.000 10.630) 10.630 4.993 ( 0.000 0.000 10.630) 10.630 5.317 ( 0.000 0.000 -5.960) 5.960 8.020 ( 0.000 -0.000 -42.150) 42.150 8.020 ( 0.000 0.000 -42.150) 42.150 8.027 ( 0.000 -0.000 -1.730) 1.730 8.888 ( 0.000 -0.000 -19.859) 19.859 10.004 ( 0.000 0.000 29.499) 29.499 10.004 ( 0.000 0.000 29.499) 29.499 11.507 ( 0.000 0.000 -6.755) 6.755 11.507 ( 0.000 0.000 -6.755) 6.755 14.146 ( 0.000 0.000 4.015) 4.015 14.844 ( 0.000 -0.000 -10.441) 10.441 16.464 ( 0.000 -0.000 8.169) 8.169 16.558 ( 0.000 0.000 1.212) 1.212 17.677 ( 0.000 -0.000 0.623) 0.623 17.677 ( 0.000 0.000 0.623) 0.623 17.754 ( 0.000 0.000 -0.617) 0.617 17.754 ( 0.000 0.000 -0.617) 0.617 18.089 ( 0.000 -0.000 19.132) 19.132 20.811 ( 0.000 0.000 -27.315) 27.315 21.157 ( 0.000 0.000 -0.124) 0.124 21.157 ( 0.000 -0.000 -0.124) 0.124 21.161 ( 0.000 0.000 -0.184) 0.184 21.161 ( 0.000 0.000 -0.184) 0.184 21.453 ( 0.000 0.000 0.243) 0.243 21.469 ( 0.000 0.000 0.501) 0.501 21.590 ( 0.000 0.000 0.686) 0.686 21.590 ( 0.000 0.000 0.686) 0.686 21.661 ( 0.000 0.000 -0.492) 0.492 21.661 ( 0.000 0.000 -0.492) 0.492 24.698 ( 0.000 0.000 19.978) 19.978 26.498 ( 0.000 0.000 -13.063) 13.063 29.058 ( 0.000 0.000 6.941) 6.941 29.692 ( 0.000 -0.000 -4.050) 4.050 29.724 ( 0.000 -0.000 0.030) 0.030 29.724 ( 0.000 -0.000 0.030) 0.030 29.728 ( 0.000 0.000 -0.025) 0.025 29.728 ( -0.000 0.000 -0.025) 0.025 ======================= Grid point 182 (23/84) ======================= q-point: ( 0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 36.507 21.077 19.296) 46.361 1.470 ( 26.497 15.298 37.167) 48.140 2.008 ( 39.753 22.951 51.951) 69.325 2.733 ( 10.949 6.321 -11.628) 17.177 2.759 ( 11.021 6.363 -6.441) 14.263 3.989 ( 6.115 3.531 10.296) 12.485 4.033 ( 12.037 6.950 7.748) 15.913 4.246 ( 19.910 11.495 15.419) 27.682 4.498 ( 44.438 25.656 2.966) 51.398 5.065 ( 8.015 4.627 11.156) 14.495 5.250 ( -4.680 -2.702 -4.930) 7.314 5.268 ( 19.795 11.429 -8.625) 24.430 7.230 ( -30.059 -17.354 40.518) 53.352 7.864 ( -12.121 -6.998 -41.085) 43.404 8.070 ( -0.041 -0.024 -41.018) 41.018 9.010 ( 9.369 5.409 -21.947) 24.469 9.987 ( -1.919 -1.108 29.492) 29.575 9.994 ( -0.829 -0.479 29.909) 29.925 11.474 ( -2.742 -1.583 -6.875) 7.569 11.722 ( 7.676 4.432 -16.994) 19.167 14.175 ( 2.396 1.383 4.339) 5.146 14.892 ( 4.294 2.479 -10.260) 11.395 16.103 ( -27.175 -15.690 8.193) 32.431 16.310 ( -16.733 -9.661 2.643) 19.501 17.251 ( -30.852 -17.812 3.390) 35.785 17.323 ( -25.014 -14.442 8.717) 30.171 17.375 ( -29.534 -17.051 0.483) 34.106 17.615 ( -8.729 -5.039 4.402) 10.998 18.425 ( 13.609 7.857 10.470) 18.883 20.599 ( -5.568 -3.215 -15.764) 17.025 21.019 ( -10.692 -6.173 4.139) 13.021 21.048 ( -6.000 -3.464 1.272) 7.044 21.171 ( 1.480 0.855 -0.395) 1.755 21.210 ( 2.267 1.309 1.535) 3.035 21.475 ( 4.962 2.865 -0.002) 5.729 21.514 ( 11.810 6.819 -3.634) 14.113 21.754 ( 16.467 9.507 -0.893) 19.035 21.777 ( 11.394 6.578 -0.197) 13.158 22.134 ( 32.341 18.672 -0.042) 37.344 22.978 ( 58.160 33.579 -66.595) 94.578 24.668 ( -2.464 -1.423 18.372) 18.591 26.401 ( -8.395 -4.847 -12.646) 15.934 27.423 ( -60.864 -35.140 72.555) 101.013 28.670 ( -24.583 -14.193 1.422) 28.422 29.772 ( 4.194 2.422 0.022) 4.843 29.776 ( 4.288 2.475 -0.036) 4.951 30.129 ( 25.681 14.827 5.071) 30.085 31.767 ( 45.551 26.299 -55.816) 76.694 ======================= Grid point 183 (24/84) ======================= q-point: ( 0.15 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 16.088 9.288 34.427) 39.119 1.992 ( 27.952 16.138 14.848) 35.528 2.839 ( 22.304 12.877 18.893) 31.941 2.978 ( 10.435 6.025 0.975) 12.089 3.114 ( 22.195 12.814 0.423) 25.632 4.153 ( 7.330 4.232 13.814) 16.201 4.369 ( 15.144 8.743 3.425) 17.819 4.824 ( 28.758 16.603 6.119) 33.766 5.083 ( -5.318 -3.070 -1.300) 6.277 5.222 ( 18.571 10.722 -0.908) 21.464 5.791 ( 22.859 13.198 2.135) 26.481 5.919 ( 62.821 36.269 3.632) 72.630 7.057 ( 15.631 9.024 24.145) 30.146 7.562 ( -12.889 -7.442 -39.398) 42.116 8.080 ( 1.821 1.051 -39.857) 39.912 9.244 ( 10.737 6.199 -21.557) 24.868 9.924 ( -3.299 -1.905 28.947) 29.197 9.979 ( 0.023 0.013 29.404) 29.404 11.397 ( -3.803 -2.196 -7.310) 8.528 11.798 ( 0.307 0.177 -13.467) 13.472 14.219 ( -0.196 -0.113 5.485) 5.490 15.035 ( 7.905 4.564 -10.627) 14.010 15.436 ( -31.945 -18.444 2.376) 36.964 15.646 ( -39.265 -22.670 -1.614) 45.368 16.361 ( -44.855 -25.897 0.986) 51.803 16.514 ( -41.462 -23.938 -1.346) 47.895 17.057 ( -4.201 -2.425 16.766) 17.454 17.340 ( -14.598 -8.428 6.563) 18.088 18.546 ( -3.133 -1.809 9.536) 10.199 20.422 ( -12.485 -7.208 -13.767) 19.934 20.835 ( -5.134 -2.964 3.727) 7.003 20.969 ( -2.214 -1.278 -0.249) 2.569 21.237 ( 4.276 2.469 -0.608) 4.975 21.322 ( 7.761 4.481 0.502) 8.976 21.588 ( 4.114 2.375 -0.357) 4.764 21.690 ( 6.337 3.659 -2.629) 7.775 22.071 ( 15.391 8.886 -0.423) 17.778 22.219 ( 18.661 10.774 -3.636) 21.853 22.942 ( 38.032 21.958 0.634) 43.920 23.973 ( 35.353 20.411 -51.655) 65.838 24.603 ( -2.898 -1.673 14.714) 15.090 26.145 ( -13.752 -7.940 -11.403) 19.549 26.614 ( -19.641 -11.340 52.481) 57.172 28.119 ( -23.849 -13.769 -2.250) 27.631 29.906 ( 7.655 4.420 0.001) 8.839 29.914 ( 7.917 4.571 -0.089) 9.142 30.707 ( 24.945 14.402 7.704) 29.817 32.294 ( 10.414 6.012 -27.787) 30.277 ======================= Grid point 184 (25/84) ======================= q-point: ( 0.23 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 18.295 10.563 13.325) 24.977 2.478 ( 16.497 9.524 14.424) 23.894 3.130 ( 8.076 4.663 1.028) 9.382 3.226 ( 11.344 6.550 6.313) 14.541 3.576 ( 17.343 10.013 14.921) 24.974 4.263 ( 2.158 1.246 15.265) 15.467 4.604 ( 5.524 3.190 -9.381) 11.344 4.842 ( -8.693 -5.019 1.258) 10.116 5.623 ( 32.416 18.716 5.702) 37.863 5.750 ( 27.295 15.759 -4.625) 31.855 6.154 ( 13.084 7.554 19.228) 24.454 6.948 ( 9.777 5.645 -30.205) 32.245 7.602 ( 30.118 17.389 -4.918) 35.123 7.753 ( 27.777 16.037 -6.827) 32.793 8.321 ( 31.713 18.310 -21.364) 42.396 9.484 ( 11.373 6.566 -13.799) 19.050 9.871 ( -0.724 -0.418 23.113) 23.129 10.041 ( 7.977 4.606 25.351) 26.973 11.326 ( -1.976 -1.141 -8.325) 8.632 11.760 ( -3.477 -2.007 -11.755) 12.422 13.994 ( -24.679 -14.248 5.917) 29.104 14.661 ( -41.451 -23.932 -4.660) 48.090 14.787 ( -22.449 -12.961 2.269) 26.021 15.280 ( -5.465 -3.155 -8.565) 10.639 15.428 ( -23.927 -13.814 0.227) 27.629 15.615 ( -34.023 -19.643 -0.601) 39.291 16.985 ( -14.511 -8.378 6.338) 17.915 17.032 ( -1.935 -1.117 11.150) 11.372 18.311 ( -16.830 -9.717 11.416) 22.538 20.035 ( -21.566 -12.451 -10.264) 26.934 20.771 ( -1.270 -0.733 2.418) 2.828 20.926 ( -1.532 -0.885 -0.638) 1.881 21.341 ( 4.021 2.321 0.326) 4.654 21.528 ( 9.847 5.685 -0.343) 11.375 21.647 ( 1.198 0.692 -1.048) 1.736 21.828 ( 6.503 3.754 -2.949) 8.067 22.396 ( 12.675 7.318 -1.873) 14.755 22.531 ( 9.443 5.452 -3.249) 11.378 23.767 ( 34.576 19.963 1.652) 39.959 24.501 ( 0.550 0.318 3.617) 3.672 24.721 ( 25.723 14.851 -25.361) 39.056 25.822 ( -14.456 -8.346 -9.795) 19.354 26.349 ( -6.163 -3.558 34.825) 35.544 27.623 ( -20.344 -11.746 -3.504) 23.751 30.103 ( 9.699 5.600 -0.019) 11.200 30.119 ( 10.113 5.839 -0.212) 11.680 31.216 ( 20.228 11.678 7.708) 24.596 32.415 ( 2.065 1.192 -13.915) 14.118 ======================= Grid point 185 (26/84) ======================= q-point: ( 0.31 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 14.805 8.548 1.367) 17.150 2.803 ( 14.791 8.540 11.424) 20.548 3.266 ( 4.457 2.573 -0.717) 5.196 3.460 ( 9.293 5.365 4.184) 11.518 3.893 ( 11.095 6.406 14.410) 19.282 4.260 ( -1.919 -1.108 13.631) 13.810 4.595 ( -6.365 -3.675 -4.638) 8.690 4.721 ( -0.859 -0.496 -7.046) 7.116 6.101 ( 8.201 4.735 11.145) 14.625 6.211 ( 9.575 5.528 -11.070) 15.645 6.580 ( 23.052 13.309 -5.416) 27.163 7.093 ( 19.031 10.988 -16.873) 27.706 7.993 ( 7.262 4.193 -15.606) 17.716 8.193 ( 9.849 5.686 15.640) 19.338 9.384 ( 45.913 26.508 -3.440) 53.127 9.675 ( 2.003 1.156 -7.457) 7.807 9.917 ( 6.882 3.973 19.152) 20.735 10.558 ( 39.035 22.537 10.758) 46.340 11.338 ( 3.774 2.179 -9.168) 10.151 11.674 ( -2.480 -1.432 -9.308) 9.739 13.236 ( -36.866 -21.285 4.962) 42.858 13.832 ( -30.622 -17.679 -5.264) 35.749 14.147 ( -35.327 -20.396 4.631) 41.054 14.731 ( -26.737 -15.437 -7.140) 31.688 14.982 ( -8.693 -5.019 6.812) 12.131 15.729 ( 16.551 9.556 -10.428) 21.772 16.636 ( -14.258 -8.232 5.005) 17.208 16.995 ( -4.228 -2.441 2.203) 5.356 17.852 ( -22.312 -12.882 17.478) 31.133 19.476 ( -28.120 -16.235 -7.632) 33.355 20.766 ( 0.873 0.504 1.863) 2.118 20.904 ( -0.411 -0.237 -0.558) 0.732 21.370 ( -1.810 -1.045 0.935) 2.290 21.645 ( -0.952 -0.549 -1.363) 1.751 21.744 ( 9.064 5.233 -1.077) 10.521 21.998 ( 8.584 4.956 -2.407) 10.200 22.598 ( 4.492 2.593 -3.971) 6.532 22.682 ( 5.443 3.143 -1.017) 6.367 24.429 ( 16.683 9.632 3.647) 19.607 24.476 ( 6.452 3.725 7.502) 10.573 25.287 ( 22.496 12.988 -21.150) 33.497 25.527 ( -11.454 -6.613 -7.909) 15.410 26.290 ( 0.288 0.166 22.838) 22.841 27.220 ( -15.428 -8.908 -3.259) 18.111 30.325 ( 9.741 5.624 -0.032) 11.248 30.350 ( 10.145 5.857 -0.377) 11.721 31.600 ( 14.063 8.119 6.390) 17.451 32.424 ( -0.785 -0.453 -7.410) 7.465 ======================= Grid point 186 (27/84) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 7.094 4.096 7.072) 10.822 3.174 ( 16.865 9.737 -1.167) 19.509 3.339 ( 2.359 1.362 -0.576) 2.784 3.635 ( 6.276 3.623 2.284) 7.598 4.051 ( 1.714 0.989 6.827) 7.108 4.208 ( -1.466 -0.846 11.831) 11.951 4.447 ( -5.615 -3.242 2.969) 7.131 4.721 ( 0.453 0.261 -14.510) 14.519 6.015 ( -9.799 -5.657 -45.983) 47.354 6.422 ( 10.288 5.940 39.591) 41.335 6.966 ( 9.969 5.756 -20.163) 23.218 7.716 ( 29.340 16.939 0.190) 33.879 8.038 ( -4.775 -2.757 16.268) 17.177 8.365 ( 11.308 6.529 7.040) 14.835 9.598 ( -5.600 -3.233 -7.651) 10.018 9.972 ( 13.781 7.957 2.838) 16.165 10.196 ( 6.707 3.872 4.279) 8.848 11.300 ( 14.482 8.361 -11.094) 20.068 11.599 ( 20.236 11.683 2.268) 23.477 11.762 ( 10.395 6.001 -2.024) 12.172 12.534 ( -22.542 -13.015 6.830) 26.911 13.322 ( -15.518 -8.959 -6.407) 19.029 13.477 ( -18.288 -10.558 6.217) 22.013 14.325 ( -5.591 -3.228 -11.609) 13.283 14.864 ( -5.264 -3.039 12.278) 13.700 15.957 ( -1.472 -0.850 -9.528) 9.678 16.471 ( -1.574 -0.908 -5.942) 6.214 16.759 ( -12.952 -7.478 -2.106) 15.104 17.470 ( -8.272 -4.776 23.396) 25.271 18.797 ( -32.075 -18.519 -4.296) 37.286 20.813 ( 3.316 1.914 1.426) 4.086 20.906 ( 0.449 0.259 -0.295) 0.597 21.274 ( -6.117 -3.532 1.390) 7.199 21.612 ( -1.726 -0.997 -2.535) 3.225 21.924 ( 6.694 3.865 -0.088) 7.730 22.195 ( 8.707 5.027 -2.131) 10.277 22.618 ( -1.694 -0.978 -1.804) 2.661 22.782 ( 3.060 1.767 -3.175) 4.750 24.420 ( -1.532 -0.884 8.084) 8.276 24.876 ( 13.448 7.764 4.224) 16.092 25.321 ( -6.816 -3.935 -6.331) 10.101 25.700 ( 14.102 8.142 -15.950) 22.794 26.336 ( 3.118 1.800 14.773) 15.205 26.943 ( -9.195 -5.309 -2.311) 10.867 30.521 ( 7.397 4.271 -0.046) 8.541 30.553 ( 7.626 4.403 -0.521) 8.821 31.844 ( 7.899 4.560 4.904) 10.355 32.395 ( -1.527 -0.882 -4.141) 4.501 ======================= Grid point 187 (28/84) ======================= q-point: ( 0.46 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 2.496 1.441 9.089) 9.536 3.354 ( 0.680 0.393 -0.961) 1.241 3.512 ( 9.768 5.640 -1.156) 11.338 3.743 ( 3.820 2.206 1.694) 4.726 3.967 ( -6.483 -3.743 -4.287) 8.626 4.210 ( 0.337 0.194 10.330) 10.337 4.368 ( -1.477 -0.853 7.457) 7.650 4.738 ( 0.702 0.405 -16.811) 16.831 5.830 ( -5.041 -2.910 -51.280) 51.609 6.620 ( 5.850 3.377 45.722) 46.218 7.064 ( 0.690 0.399 -22.301) 22.315 7.900 ( -3.988 -2.302 19.094) 19.641 8.214 ( 11.501 6.640 15.054) 20.075 8.610 ( 7.303 4.217 3.498) 9.130 9.576 ( 5.946 3.433 -8.075) 10.600 9.956 ( -13.987 -8.075 -8.031) 18.037 10.382 ( 12.289 7.095 5.975) 15.396 11.374 ( -4.421 -2.553 -12.754) 13.737 11.769 ( -0.456 -0.263 1.663) 1.744 11.932 ( 3.569 2.060 -1.189) 4.289 12.238 ( -7.507 -4.334 9.148) 12.602 13.093 ( -5.465 -3.155 -6.152) 8.813 13.547 ( 17.014 9.823 7.593) 21.062 14.341 ( -4.539 -2.620 -6.661) 8.476 14.877 ( 14.069 8.123 6.361) 17.447 15.735 ( -17.984 -10.383 -11.546) 23.760 16.069 ( -15.934 -9.200 6.912) 19.655 16.904 ( 10.057 5.806 -14.258) 18.389 17.512 ( 12.577 7.261 17.110) 22.442 18.089 ( -29.239 -16.881 1.960) 33.819 20.904 ( 3.901 2.252 0.389) 4.521 20.917 ( 0.465 0.268 -0.000) 0.537 21.133 ( -5.339 -3.083 2.565) 6.678 21.580 ( -0.840 -0.485 -3.263) 3.404 22.029 ( 2.505 1.446 0.804) 3.002 22.369 ( 6.165 3.559 -3.287) 7.841 22.548 ( -3.822 -2.207 0.438) 4.435 22.821 ( 0.736 0.425 -4.710) 4.786 24.394 ( -0.629 -0.363 8.343) 8.374 25.066 ( 4.042 2.334 5.138) 6.942 25.220 ( -2.299 -1.327 -5.615) 6.211 25.909 ( 4.618 2.666 -13.991) 14.973 26.396 ( 1.664 0.960 10.809) 10.979 26.811 ( -2.766 -1.597 -1.421) 3.496 30.638 ( 2.801 1.617 -0.062) 3.235 30.674 ( 2.856 1.649 -0.598) 3.352 31.959 ( 2.484 1.434 3.994) 4.917 32.367 ( -0.743 -0.429 -2.720) 2.852 ======================= Grid point 195 (29/84) ======================= q-point: ( 0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 8.846 15.321 41.017) 44.669 1.780 ( 17.845 30.909 15.406) 38.873 2.681 ( 18.414 31.894 24.954) 44.486 2.929 ( 5.999 10.391 0.020) 11.999 2.976 ( 10.860 18.810 -5.981) 22.529 4.096 ( 4.162 7.209 12.823) 15.288 4.285 ( 9.605 16.637 6.078) 20.149 4.646 ( 16.592 28.739 9.478) 34.512 5.080 ( 4.034 6.988 -3.350) 8.736 5.144 ( 2.252 3.901 -1.072) 4.630 5.563 ( 33.541 58.094 7.166) 67.463 5.651 ( 14.409 24.957 -4.569) 29.178 7.009 ( 1.876 3.249 31.508) 31.731 7.631 ( -8.523 -14.762 -40.631) 44.062 8.083 ( 0.795 1.378 -40.646) 40.677 9.180 ( 6.347 10.993 -22.373) 25.723 9.949 ( -1.691 -2.928 28.761) 28.959 9.974 ( -0.608 -1.054 30.501) 30.525 11.414 ( -2.423 -4.197 -7.225) 8.700 11.797 ( 1.189 2.060 -14.181) 14.379 14.215 ( 1.030 1.784 5.068) 5.470 14.988 ( 4.252 7.365 -10.317) 13.370 15.638 ( -17.207 -29.804 3.757) 34.619 15.885 ( -19.633 -34.005 -1.543) 39.296 16.586 ( -27.198 -47.108 0.617) 54.399 16.720 ( -25.616 -44.368 -1.356) 51.250 17.098 ( -3.849 -6.666 17.570) 19.183 17.456 ( -6.552 -11.348 6.462) 14.610 18.592 ( 3.232 5.598 9.316) 11.339 20.533 ( -2.639 -4.570 -15.905) 16.758 20.906 ( -4.460 -7.725 4.999) 10.226 20.913 ( -4.446 -7.701 0.118) 8.893 21.136 ( -0.985 -1.706 -0.138) 1.975 21.152 ( -0.889 -1.540 -0.740) 1.926 21.616 ( 5.357 9.278 0.607) 10.731 21.926 ( 10.229 17.717 -5.893) 21.290 21.926 ( 8.919 15.449 0.463) 17.845 21.992 ( 8.980 15.554 -0.400) 17.964 22.721 ( 22.206 38.462 0.322) 44.413 23.745 ( 22.069 38.225 -57.338) 72.359 24.622 ( -1.624 -2.813 15.573) 15.908 26.225 ( -7.394 -12.807 -11.882) 18.970 26.749 ( -15.345 -26.579 58.497) 66.059 28.263 ( -14.195 -24.587 -1.551) 28.432 29.867 ( 4.213 7.298 -0.006) 8.427 29.873 ( 4.255 7.369 -0.057) 8.510 30.553 ( 14.730 25.513 7.310) 30.353 32.216 ( 8.704 15.075 -33.874) 38.085 ======================= Grid point 196 (30/84) ======================= q-point: ( 0.15 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 13.143 15.675 21.179) 29.445 2.313 ( 16.718 16.668 14.051) 27.472 3.064 ( 8.239 10.253 5.395) 14.216 3.140 ( 7.828 9.591 3.056) 12.751 3.406 ( 15.500 15.242 13.919) 25.813 4.225 ( 3.884 3.025 15.072) 15.856 4.558 ( 6.349 8.630 -5.562) 12.072 4.918 ( -7.484 -7.680 -0.182) 10.725 5.316 ( 27.571 27.191 3.571) 38.888 5.521 ( 19.050 19.897 -1.685) 27.598 6.056 ( 10.064 12.233 18.513) 24.365 6.756 ( 30.165 35.860 -12.493) 48.497 7.439 ( 6.696 7.327 -24.008) 25.979 7.503 ( 26.756 31.988 4.906) 41.991 8.179 ( 8.791 12.629 -33.910) 37.238 9.408 ( 8.261 10.804 -18.285) 22.788 9.883 ( -2.197 -2.368 26.989) 27.182 9.984 ( 2.940 1.624 27.598) 27.801 11.334 ( -1.936 -3.622 -8.211) 9.181 11.794 ( -2.059 -1.149 -11.975) 12.205 14.150 ( -9.532 -10.092 6.163) 15.189 15.001 ( -24.638 -25.047 -8.334) 36.109 15.049 ( -22.671 -18.231 0.983) 29.109 15.257 ( -0.127 1.818 -4.032) 4.425 15.595 ( -29.889 -49.494 1.615) 57.841 15.815 ( -27.641 -43.945 -1.904) 51.950 17.048 ( -0.832 1.064 14.578) 14.640 17.190 ( -13.467 -7.920 6.632) 16.972 18.556 ( -12.251 1.079 9.707) 15.668 20.331 ( -19.088 -2.717 -13.546) 23.563 20.711 ( -2.134 -9.841 3.603) 10.695 20.873 ( 5.348 -10.160 -0.405) 11.489 21.129 ( 4.850 -6.810 -0.296) 8.365 21.176 ( 10.420 -10.858 -1.060) 15.087 21.771 ( 1.166 10.949 0.648) 11.030 22.060 ( -6.622 23.253 -3.021) 24.365 22.293 ( 11.169 12.527 -1.019) 16.814 22.371 ( 16.743 6.304 -2.729) 18.097 23.514 ( 27.484 35.090 0.859) 44.580 24.380 ( 16.730 14.949 -25.891) 34.260 24.613 ( 4.734 8.086 -0.381) 9.378 25.933 ( -11.224 -13.454 -10.447) 20.399 26.404 ( -7.165 -9.127 40.305) 41.942 27.785 ( -16.434 -19.451 -3.309) 25.678 30.045 ( 6.796 9.732 -0.058) 11.870 30.053 ( 7.138 9.594 -0.125) 11.959 31.041 ( 16.810 18.560 7.925) 26.264 32.384 ( 3.048 2.711 -17.629) 18.095 ======================= Grid point 197 (31/84) ======================= q-point: ( 0.23 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 14.694 15.101 3.313) 21.329 2.676 ( 12.066 11.204 13.752) 21.453 3.240 ( 4.008 6.460 -0.253) 7.606 3.366 ( 8.727 7.228 3.851) 11.968 3.753 ( 12.710 8.018 17.312) 22.925 4.266 ( 0.052 -0.757 14.793) 14.812 4.650 ( -2.189 0.233 -11.492) 11.701 4.736 ( -3.888 -4.990 -0.083) 6.327 5.959 ( 18.578 14.733 16.819) 29.070 6.048 ( 17.716 11.949 -14.006) 25.550 6.363 ( 16.806 14.325 8.785) 23.766 6.943 ( 5.162 -0.950 -31.236) 31.674 7.946 ( 6.783 10.185 -18.093) 21.843 8.057 ( 17.682 16.741 9.639) 26.188 8.981 ( 41.509 45.046 -5.434) 61.495 9.641 ( 4.945 6.361 -9.825) 12.707 9.864 ( 2.331 0.018 21.261) 21.388 10.259 ( 24.057 22.864 17.544) 37.541 11.309 ( 1.683 0.469 -9.847) 10.001 11.714 ( -4.209 -2.885 -10.055) 11.276 13.593 ( -31.323 -25.731 4.977) 40.841 14.157 ( -32.560 -27.163 -4.492) 42.640 14.428 ( -31.351 -33.469 3.554) 45.997 14.888 ( -14.897 -23.317 -3.719) 27.919 15.041 ( -11.919 -20.919 2.299) 24.186 15.564 ( 14.961 11.585 -8.495) 20.742 16.864 ( -17.209 -4.622 5.889) 18.767 17.051 ( -1.740 1.946 8.126) 8.535 18.217 ( -26.791 -1.372 12.574) 29.627 19.862 ( -30.581 -5.867 -9.655) 32.601 20.648 ( 6.929 -13.452 2.563) 15.347 20.869 ( 3.599 -6.071 -0.994) 7.127 21.149 ( 7.403 -11.714 -0.191) 13.859 21.263 ( 16.019 -18.967 -1.849) 24.895 21.876 ( -0.915 11.128 0.395) 11.173 22.160 ( -5.444 18.877 -3.238) 19.911 22.552 ( 7.045 7.888 -2.211) 10.805 22.622 ( 7.522 5.202 -0.854) 9.185 24.259 ( 22.494 29.364 1.520) 37.020 24.465 ( 0.065 -2.347 7.654) 8.006 25.077 ( 20.347 19.826 -23.193) 36.674 25.621 ( -10.479 -12.060 -8.622) 18.154 26.283 ( -1.118 -2.894 27.025) 27.202 27.356 ( -14.383 -15.141 -3.523) 21.178 30.270 ( 7.371 11.442 -0.113) 13.611 30.283 ( 7.996 10.975 -0.253) 13.581 31.450 ( 14.217 11.681 6.977) 19.679 32.412 ( 0.406 -1.719 -9.450) 9.613 ======================= Grid point 198 (32/84) ======================= q-point: ( 0.31 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 7.512 10.769 2.975) 13.463 3.011 ( 15.306 12.581 3.360) 20.096 3.338 ( 1.491 4.782 -0.844) 5.079 3.559 ( 7.236 4.526 2.663) 8.941 3.980 ( 7.597 2.542 12.515) 14.859 4.232 ( -2.008 -1.629 12.852) 13.110 4.511 ( -6.658 -4.791 1.437) 8.328 4.712 ( 0.384 -0.660 -14.538) 14.558 6.064 ( -5.722 -9.674 -39.537) 41.104 6.317 ( 10.436 7.686 34.167) 36.543 6.816 ( 16.363 10.352 -14.364) 24.109 7.367 ( 29.912 16.568 -4.735) 34.520 8.084 ( -0.249 3.438 0.114) 3.449 8.250 ( 5.655 1.168 13.401) 14.592 9.623 ( -4.026 -7.022 -6.891) 10.630 9.799 ( 15.593 9.987 4.757) 19.118 10.088 ( 14.676 13.949 7.625) 21.636 11.092 ( 28.227 26.870 -1.119) 38.987 11.448 ( 11.941 12.350 -5.257) 17.965 11.689 ( 4.560 4.487 -4.762) 7.975 12.817 ( -29.352 -20.786 5.702) 36.416 13.491 ( -20.135 -18.102 -5.512) 27.631 13.623 ( -21.592 -30.754 5.356) 37.957 14.396 ( -10.571 -13.818 -10.436) 20.287 14.930 ( -3.089 0.833 10.362) 10.845 15.945 ( 11.925 13.300 -12.592) 21.856 16.570 ( -11.982 0.348 3.384) 12.455 16.982 ( -10.936 1.040 -1.265) 11.058 17.706 ( -27.047 -3.591 20.362) 34.045 19.221 ( -35.837 -10.562 -6.636) 37.946 20.665 ( 10.870 -14.098 2.371) 17.959 20.880 ( 2.756 -2.758 -0.714) 3.964 21.125 ( 4.368 -14.050 0.081) 14.713 21.322 ( 15.166 -23.212 -2.709) 27.859 21.967 ( -0.155 9.593 0.469) 9.606 22.257 ( -1.610 13.806 -3.120) 14.245 22.664 ( -0.540 4.902 -1.708) 5.219 22.759 ( 3.683 4.211 -0.731) 5.642 24.430 ( -0.876 -1.298 7.310) 7.476 24.815 ( 12.326 22.523 2.753) 25.822 25.356 ( -5.857 -9.616 -7.084) 13.302 25.561 ( 14.890 13.610 -16.489) 26.054 26.290 ( 3.085 -0.122 17.516) 17.785 27.023 ( -9.858 -11.185 -2.797) 15.170 30.496 ( 5.581 11.946 -0.167) 13.186 30.515 ( 6.326 11.015 -0.394) 12.709 31.736 ( 10.029 5.427 5.452) 12.640 32.382 ( -0.254 -4.088 -5.196) 6.616 ======================= Grid point 199 (33/84) ======================= q-point: ( 0.38 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 1.977 8.036 6.958) 10.812 3.356 ( 5.562 6.719 -2.491) 9.071 3.414 ( 7.490 8.380 -1.241) 11.308 3.691 ( 4.807 2.029 1.862) 5.540 4.016 ( -3.067 -3.737 2.576) 5.478 4.206 ( 0.238 -0.007 11.349) 11.351 4.385 ( -3.164 -3.273 5.762) 7.344 4.720 ( 1.250 -0.391 -17.752) 17.800 5.835 ( -5.119 -12.627 -50.244) 52.058 6.558 ( 8.174 8.218 44.230) 45.724 7.039 ( 4.035 2.207 -21.498) 21.985 7.950 ( 1.065 -3.528 22.144) 22.449 8.014 ( 15.505 10.620 6.070) 19.749 8.462 ( 12.493 2.834 4.684) 13.640 9.487 ( 0.837 -8.062 -7.320) 10.921 10.029 ( -0.490 -5.397 -6.592) 8.534 10.208 ( 7.901 -0.374 8.254) 11.432 11.392 ( 0.616 0.345 -15.232) 15.248 11.770 ( 1.643 2.080 3.377) 4.293 11.894 ( 6.127 7.209 -0.614) 9.481 12.340 ( -12.093 -8.362 7.999) 16.738 13.125 ( -7.652 -11.792 -5.661) 15.154 13.365 ( 12.512 4.557 7.724) 15.394 14.370 ( 4.291 8.185 -14.203) 16.944 14.888 ( -2.075 9.062 13.899) 16.722 16.009 ( -14.324 7.110 -7.980) 17.872 16.433 ( -27.140 -1.609 -5.200) 27.680 16.810 ( 5.999 9.497 -6.616) 13.037 17.445 ( -0.416 1.879 21.803) 21.888 18.486 ( -36.424 -13.878 -2.276) 39.045 20.735 ( 14.707 -16.254 2.475) 22.060 20.904 ( 1.742 -0.480 -0.207) 1.818 21.030 ( -0.423 -11.308 0.297) 11.320 21.328 ( 13.684 -24.634 -3.631) 28.412 22.049 ( 0.099 6.600 0.918) 6.664 22.367 ( 1.466 8.309 -3.480) 9.127 22.659 ( -5.326 5.666 0.157) 7.778 22.827 ( 1.017 2.082 -2.168) 3.173 24.407 ( -1.053 -0.035 7.191) 7.268 25.111 ( 1.926 14.377 2.614) 14.740 25.206 ( -1.875 -6.233 -4.161) 7.725 25.863 ( 7.498 8.302 -13.475) 17.513 26.357 ( 3.738 0.409 11.487) 12.087 26.818 ( -3.630 -7.567 -1.737) 8.570 30.669 ( 1.297 10.867 -0.224) 10.947 30.689 ( 2.104 9.463 -0.490) 9.707 31.896 ( 5.769 0.449 4.209) 7.155 32.338 ( 0.711 -5.163 -3.054) 6.040 ======================= Grid point 200 (34/84) ======================= q-point: ( 0.46 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -3.088 5.349 7.611) 9.802 3.387 ( -1.731 2.999 -0.898) 3.577 3.600 ( -1.652 2.861 0.133) 3.306 3.767 ( 0.214 -0.371 4.359) 4.380 3.905 ( 0.825 -1.430 -8.241) 8.404 4.210 ( 0.170 -0.294 10.090) 10.096 4.346 ( 0.855 -1.482 8.153) 8.331 4.733 ( 0.473 -0.820 -18.773) 18.797 5.721 ( 4.592 -7.953 -51.628) 52.439 6.686 ( -1.908 3.304 46.663) 46.818 7.064 ( 0.107 -0.186 -20.933) 20.934 7.869 ( 1.072 -1.856 23.073) 23.172 8.265 ( 0.183 -0.317 12.757) 12.763 8.599 ( 2.898 -5.020 1.863) 6.089 9.546 ( 5.213 -9.030 -7.579) 12.890 9.798 ( 2.703 -4.682 -7.760) 9.458 10.404 ( 3.042 -5.269 4.578) 7.614 11.301 ( 2.416 -4.184 -8.529) 9.802 11.773 ( -0.453 0.785 -2.506) 2.665 11.970 ( -1.117 1.935 -2.330) 3.228 12.175 ( 1.119 -1.939 9.242) 9.509 12.999 ( 3.382 -5.858 -5.555) 8.753 13.682 ( -1.317 2.281 8.008) 8.430 14.351 ( -3.290 5.699 -2.738) 7.127 15.163 ( -8.788 15.221 1.200) 17.617 15.730 ( -8.362 14.484 -10.687) 19.847 16.095 ( -6.046 10.471 8.096) 14.552 16.985 ( -1.275 2.209 -13.157) 13.402 17.681 ( -1.877 3.251 11.095) 11.713 17.873 ( -1.166 2.020 5.307) 5.797 20.805 ( 15.534 -26.906 3.009) 31.214 20.920 ( 0.250 -0.433 0.314) 0.591 20.942 ( -0.587 1.016 -0.298) 1.211 21.321 ( 14.220 -24.629 -4.097) 28.733 22.084 ( -2.266 3.925 1.197) 4.688 22.432 ( -1.236 2.140 -4.427) 5.070 22.630 ( -5.173 8.960 1.549) 10.461 22.844 ( -0.549 0.952 -2.764) 2.974 24.397 ( -0.503 0.871 7.209) 7.279 25.147 ( 3.352 -5.806 -5.372) 8.592 25.207 ( -6.620 11.467 4.722) 14.057 25.966 ( -1.691 2.929 -12.598) 13.044 26.394 ( 0.653 -1.132 9.499) 9.588 26.752 ( 2.528 -4.378 -1.177) 5.190 30.735 ( -4.649 8.052 -0.253) 9.301 30.754 ( -3.734 6.468 -0.522) 7.487 31.945 ( 1.645 -2.849 3.744) 4.984 32.317 ( 2.719 -4.709 -2.388) 5.939 ======================= Grid point 210 (35/84) ======================= q-point: ( 0.15 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 11.051 19.141 5.336) 22.737 2.624 ( 8.764 15.180 13.363) 22.041 3.243 ( 4.671 8.091 1.077) 9.404 3.323 ( 5.262 9.114 1.330) 10.608 3.675 ( 7.279 12.607 19.763) 24.545 4.258 ( 0.134 0.232 15.254) 15.256 4.671 ( 1.769 3.064 -14.210) 14.644 4.746 ( -5.366 -9.295 2.379) 10.993 5.854 ( 14.486 25.091 11.851) 31.303 5.941 ( 11.405 19.753 -10.445) 25.087 6.298 ( 8.842 15.314 16.194) 23.978 6.895 ( -1.927 -3.337 -36.048) 36.254 7.950 ( 6.011 10.412 -22.672) 25.663 7.974 ( 16.341 28.303 12.412) 34.959 8.858 ( 30.854 53.441 -7.218) 62.129 9.635 ( 4.816 8.342 -14.291) 17.234 9.842 ( -0.426 -0.738 25.315) 25.330 10.169 ( 14.148 24.506 20.123) 34.722 11.294 ( 0.341 0.590 -10.324) 10.347 11.739 ( -2.566 -4.444 -9.925) 11.174 13.739 ( -17.886 -30.979 5.179) 36.145 14.319 ( -22.040 -38.175 -4.384) 44.298 14.549 ( -30.595 -52.992 2.623) 61.246 14.868 ( -7.651 -13.251 -1.266) 15.354 15.020 ( -14.807 -25.646 0.290) 29.615 15.486 ( 9.267 16.052 -8.221) 20.276 17.006 ( -6.485 -11.232 6.311) 14.423 17.075 ( 0.732 1.268 10.687) 10.786 18.502 ( -4.930 -8.538 10.656) 14.517 20.228 ( -6.818 -11.810 -14.730) 20.073 20.544 ( -7.056 -12.221 3.307) 14.494 20.548 ( -7.049 -12.209 0.331) 14.101 21.046 ( -1.909 -3.307 -0.535) 3.856 21.048 ( -1.287 -2.229 -0.186) 2.581 21.940 ( 3.878 6.717 1.237) 7.854 22.351 ( 2.890 5.006 -6.917) 9.014 22.523 ( 7.401 12.820 0.553) 14.813 22.550 ( 6.345 10.990 0.593) 12.704 24.219 ( 20.799 36.025 0.811) 41.606 24.444 ( -0.642 -1.112 6.298) 6.428 25.004 ( 14.226 24.640 -23.017) 36.597 25.649 ( -8.784 -15.215 -8.833) 19.664 26.277 ( -2.291 -3.968 28.677) 29.041 27.404 ( -11.124 -19.268 -3.613) 22.540 30.269 ( 7.519 13.024 -0.188) 15.040 30.274 ( 7.398 12.813 -0.178) 14.797 31.382 ( 9.245 16.013 7.169) 19.831 32.397 ( -0.713 -1.235 -10.331) 10.429 ======================= Grid point 211 (36/84) ======================= q-point: ( 0.23 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 9.662 17.586 -4.075) 20.475 2.910 ( 10.970 12.635 9.733) 19.357 3.370 ( 1.961 6.777 -0.927) 7.116 3.491 ( 6.133 5.522 1.600) 8.407 3.889 ( 7.020 6.159 17.183) 19.556 4.237 ( -1.160 -2.280 14.428) 14.653 4.568 ( -6.139 -6.759 3.887) 9.924 4.698 ( 0.377 -0.530 -18.530) 18.541 6.049 ( -4.580 -9.722 -38.258) 39.739 6.230 ( 10.465 12.083 33.731) 37.327 6.673 ( 14.253 16.014 -7.573) 22.737 7.108 ( 19.427 18.562 -10.089) 28.701 8.108 ( 4.053 8.092 -17.786) 19.956 8.209 ( -0.073 -1.186 24.659) 24.688 9.619 ( -4.390 -7.691 -6.370) 10.909 9.679 ( 11.780 13.619 5.603) 18.859 10.007 ( 14.544 20.618 9.720) 27.039 10.939 ( 27.336 39.044 2.705) 47.739 11.400 ( 7.958 11.410 -9.007) 16.572 11.678 ( 0.974 1.787 -5.052) 5.446 13.063 ( -25.711 -27.796 5.066) 38.201 13.601 ( -21.789 -37.767 1.392) 43.624 13.639 ( -20.677 -31.812 -0.650) 37.947 14.406 ( -9.254 -16.875 -10.682) 22.011 14.976 ( 0.755 4.200 8.956) 9.920 15.861 ( 14.644 19.003 -11.184) 26.470 16.769 ( -11.045 -5.621 5.640) 13.616 17.084 ( -1.430 1.085 4.933) 5.249 18.189 ( -25.275 -3.183 13.733) 28.941 19.780 ( -35.738 -3.690 -10.756) 37.503 20.258 ( 4.116 -23.914 3.422) 24.506 20.552 ( 19.430 -28.086 -2.374) 34.234 21.003 ( 1.169 -5.463 -0.351) 5.598 21.021 ( 0.585 -3.132 -0.223) 3.194 22.047 ( 1.197 7.193 1.169) 7.385 22.398 ( -1.675 6.154 -5.247) 8.259 22.705 ( 2.845 7.546 0.259) 8.069 22.734 ( 4.718 5.543 0.888) 7.333 24.425 ( -0.053 -0.945 6.737) 6.803 24.850 ( 15.061 29.627 0.680) 33.242 25.364 ( -7.192 -10.584 -7.251) 14.708 25.464 ( 13.585 16.239 -16.410) 26.787 26.245 ( 1.142 -0.926 19.349) 19.405 27.059 ( -9.728 -15.020 -3.107) 18.163 30.530 ( 7.037 14.440 -0.309) 16.066 30.531 ( 7.038 14.726 -0.305) 16.324 31.643 ( 7.866 7.773 5.763) 12.471 32.346 ( -1.424 -5.077 -5.893) 7.908 ======================= Grid point 212 (37/84) ======================= q-point: ( 0.31 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 2.364 13.413 3.258) 14.004 3.267 ( 14.162 13.176 -3.979) 19.748 3.447 ( 0.014 6.429 -1.109) 6.524 3.626 ( 5.244 2.405 1.951) 6.089 4.003 ( 1.656 0.229 10.409) 10.543 4.195 ( -0.213 -2.365 13.278) 13.489 4.413 ( -4.974 -5.328 5.701) 9.253 4.697 ( 0.696 -0.612 -21.993) 22.013 5.783 ( -7.139 -17.842 -49.109) 52.735 6.506 ( 9.252 11.564 43.349) 45.810 6.975 ( 7.781 6.189 -19.213) 21.633 7.686 ( 23.567 13.859 4.117) 27.648 8.051 ( -5.776 -4.855 24.909) 26.026 8.316 ( 8.418 5.399 -3.412) 10.567 9.413 ( -4.864 -13.706 -5.658) 15.605 9.888 ( 10.527 2.292 5.657) 12.169 10.171 ( -5.015 -7.981 -0.296) 9.431 11.375 ( 3.928 4.818 -16.259) 17.406 11.757 ( 4.795 6.902 3.559) 9.126 11.869 ( 7.834 11.911 -0.460) 14.264 12.472 ( -16.709 -15.818 6.739) 23.975 13.135 ( -9.928 -16.832 -4.175) 19.983 13.217 ( 6.512 -1.274 7.727) 10.185 14.372 ( 6.769 11.772 -16.817) 21.615 15.020 ( -1.478 9.114 15.127) 17.722 16.256 ( 2.468 18.506 -12.478) 22.456 16.614 ( -0.215 4.134 -1.270) 4.330 17.014 ( -10.753 1.681 -2.588) 11.187 17.675 ( -27.813 0.045 21.951) 35.432 19.055 ( -43.095 -6.769 -6.245) 44.068 20.165 ( 17.190 -34.260 3.258) 38.469 20.619 ( 22.147 -30.921 -3.667) 38.210 20.966 ( 0.862 -5.852 -0.219) 5.920 20.997 ( -0.552 -1.851 -0.336) 1.961 22.127 ( -0.260 7.719 1.111) 7.803 22.437 ( -0.556 5.864 -4.286) 7.284 22.778 ( -1.081 4.998 0.209) 5.117 22.814 ( 1.499 1.408 1.146) 2.354 24.424 ( -0.207 0.912 5.702) 5.778 25.129 ( -2.828 -8.680 -6.143) 11.003 25.295 ( 3.011 21.326 2.701) 21.706 25.812 ( 10.069 11.682 -12.008) 19.546 26.290 ( 4.045 0.221 11.996) 12.661 26.799 ( -5.619 -11.642 -2.113) 13.099 30.764 ( 3.626 14.340 -0.323) 14.795 30.773 ( 3.199 16.135 -0.554) 16.459 31.796 ( 5.804 0.497 4.378) 7.288 32.263 ( -0.340 -8.165 -3.314) 8.818 ======================= Grid point 213 (38/84) ======================= q-point: ( 0.38 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -2.619 10.909 3.790) 11.842 3.462 ( -1.674 5.629 -1.353) 6.027 3.607 ( 7.127 8.371 -2.504) 11.276 3.723 ( 5.391 2.667 3.031) 6.735 3.930 ( -6.492 -4.834 0.339) 8.102 4.193 ( 1.240 -1.480 12.283) 12.434 4.315 ( -0.777 -4.036 7.701) 8.729 4.714 ( 1.083 0.217 -24.152) 24.177 5.549 ( 0.898 -16.091 -51.244) 53.719 6.737 ( 3.759 9.999 45.937) 47.162 7.063 ( 0.245 0.527 -19.836) 19.844 7.790 ( 0.658 -11.173 32.556) 34.426 8.235 ( 9.822 10.675 1.598) 14.594 8.465 ( 5.811 -2.485 2.350) 6.743 9.306 ( 8.065 -9.916 -6.540) 14.358 9.768 ( -9.746 -17.690 -8.010) 21.727 10.228 ( 13.115 1.477 6.930) 14.907 11.237 ( -6.568 -15.895 -5.598) 18.086 11.788 ( 1.306 3.257 -6.098) 7.036 12.009 ( -0.103 3.830 -3.496) 5.187 12.161 ( -5.355 -8.913 8.250) 13.273 12.898 ( -1.244 -10.432 -4.762) 11.535 13.658 ( 15.273 20.611 8.633) 27.066 14.509 ( -6.888 4.094 -6.692) 10.440 15.340 ( 14.354 35.939 5.916) 39.149 16.215 ( -20.576 13.068 -7.628) 25.541 16.452 ( -29.198 3.665 -0.452) 29.431 16.994 ( 4.879 7.042 -9.364) 12.692 17.593 ( 12.638 15.998 16.122) 25.992 18.257 ( -40.434 -9.630 -0.143) 41.565 20.145 ( 22.049 -38.806 3.559) 44.774 20.681 ( 23.328 -36.153 -4.410) 43.251 20.925 ( -0.589 -2.134 0.191) 2.222 20.974 ( -1.236 0.591 -0.427) 1.435 22.180 ( -2.413 7.299 1.176) 7.776 22.481 ( -0.827 4.616 -4.142) 6.256 22.784 ( -3.387 5.181 0.875) 6.251 22.832 ( 1.327 -1.803 0.748) 2.360 24.430 ( -1.188 2.549 5.009) 5.744 25.021 ( 1.941 -9.492 -4.543) 10.700 25.469 ( -5.881 18.551 3.037) 19.696 26.009 ( 2.456 6.612 -9.740) 12.026 26.355 ( 2.914 -0.529 7.732) 8.280 26.655 ( 0.669 -9.118 -1.067) 9.204 30.907 ( -2.695 12.663 -0.333) 12.951 30.926 ( -3.706 15.116 -0.744) 15.581 31.857 ( 4.127 -4.358 3.550) 6.973 32.195 ( 3.018 -9.416 -2.072) 10.102 ======================= Grid point 224 (39/84) ======================= q-point: ( 0.23 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 7.036 12.186 9.595) 17.031 3.169 ( 9.971 17.270 -12.573) 23.575 3.492 ( 3.195 5.533 -1.583) 6.583 3.582 ( 2.359 4.086 1.774) 5.040 3.988 ( 2.156 3.733 13.895) 14.548 4.181 ( -1.932 -3.347 14.449) 14.957 4.433 ( -4.033 -6.985 7.277) 10.863 4.688 ( -0.116 -0.201 -25.289) 25.290 5.753 ( -10.448 -18.096 -48.547) 52.853 6.482 ( 8.021 13.893 42.887) 45.789 6.933 ( 5.886 10.194 -17.618) 21.188 7.543 ( 13.024 22.559 1.376) 26.085 8.074 ( -5.213 -9.030 31.473) 33.155 8.278 ( 4.934 8.546 -10.869) 14.680 9.388 ( -8.293 -14.363 -4.868) 17.285 9.804 ( 3.459 5.991 8.595) 11.033 10.176 ( -4.801 -8.315 -1.749) 9.760 11.364 ( 4.123 7.142 -16.584) 18.521 11.749 ( 5.282 9.149 3.586) 11.157 11.862 ( 8.099 14.028 -0.467) 16.205 12.547 ( -14.224 -24.637 6.004) 29.075 13.119 ( -2.776 -4.807 3.476) 6.550 13.165 ( -7.101 -12.298 1.011) 14.237 14.372 ( 7.269 12.590 -17.550) 22.789 15.081 ( 4.029 6.978 14.942) 16.976 16.303 ( 15.128 26.203 -15.471) 33.983 16.652 ( -3.334 -5.774 5.022) 8.347 17.088 ( -0.446 -0.773 0.816) 1.209 18.033 ( -8.133 -14.087 17.225) 23.692 19.593 ( -11.995 -20.776 -12.113) 26.875 19.906 ( -12.002 -20.788 2.978) 24.188 19.914 ( -11.980 -20.749 0.510) 23.965 20.945 ( -0.959 -1.661 0.248) 1.934 20.996 ( -0.182 -0.315 -0.500) 0.618 22.173 ( 3.527 6.108 1.141) 7.145 22.474 ( 1.730 2.997 -4.688) 5.827 22.782 ( 0.684 1.184 2.138) 2.538 22.832 ( 1.820 3.152 0.468) 3.670 24.429 ( 0.792 1.373 5.209) 5.445 25.110 ( -6.002 -10.395 -6.060) 13.447 25.390 ( 12.635 21.885 1.581) 25.320 25.774 ( 7.959 13.786 -11.210) 19.470 26.252 ( 0.967 1.675 12.313) 12.464 26.789 ( -7.301 -12.645 -2.305) 14.782 30.810 ( 8.161 14.135 -0.250) 16.323 30.831 ( 8.911 15.435 -0.736) 17.838 31.743 ( 1.513 2.620 4.466) 5.394 32.221 ( -4.383 -7.591 -3.413) 9.406 ======================= Grid point 225 (40/84) ======================= q-point: ( 0.31 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( -0.281 13.454 2.615) 13.709 3.486 ( 9.179 8.436 -7.470) 14.534 3.589 ( 1.778 7.931 -2.478) 8.498 3.660 ( 4.538 1.755 1.807) 5.190 4.002 ( -4.150 0.001 9.285) 10.170 4.133 ( 1.852 -4.111 15.496) 16.139 4.303 ( -3.484 -6.246 8.334) 10.982 4.707 ( 1.342 2.283 -30.874) 30.988 5.417 ( -6.426 -19.113 -50.488) 54.365 6.755 ( 7.639 13.847 44.718) 47.432 7.061 ( 1.928 2.885 -20.500) 20.791 7.681 ( -3.113 -12.673 35.812) 38.115 8.142 ( 11.962 12.542 3.332) 17.649 8.418 ( 2.782 4.847 -3.221) 6.450 9.147 ( -2.026 -11.817 -5.058) 13.012 9.759 ( -10.922 -19.733 -8.121) 23.971 10.069 ( 8.780 6.105 9.557) 14.342 11.210 ( -11.910 -21.985 -4.442) 25.396 11.791 ( 3.012 5.128 -7.743) 9.763 12.040 ( 1.304 4.249 -4.253) 6.152 12.169 ( -8.108 -13.311 7.401) 17.254 12.845 ( -5.242 -11.712 -4.348) 13.549 13.612 ( 19.182 30.476 9.089) 37.140 14.614 ( -0.078 5.177 -11.364) 12.488 15.419 ( 17.690 35.310 11.486) 41.130 16.534 ( -7.651 6.284 1.776) 10.059 16.810 ( 6.826 16.350 -20.490) 27.088 17.037 ( -5.571 0.681 -3.938) 6.857 17.728 ( -12.834 7.673 23.885) 28.179 18.948 ( -46.139 -4.860 -6.664) 46.871 19.457 ( 7.169 -36.069 4.504) 37.049 19.867 ( 25.071 -43.739 -2.778) 50.491 20.922 ( -0.437 -0.846 0.422) 1.042 20.995 ( -0.346 0.624 -0.713) 1.009 22.280 ( 0.590 8.204 0.910) 8.275 22.531 ( 0.726 4.261 -4.318) 6.110 22.779 ( 0.616 -2.862 2.938) 4.147 22.848 ( -1.144 0.186 0.625) 1.317 24.471 ( 0.658 3.923 3.501) 5.299 24.925 ( -2.765 -10.404 -3.767) 11.406 25.716 ( 0.657 19.872 1.156) 19.916 25.995 ( 6.845 6.972 -6.187) 11.565 26.303 ( 2.828 1.201 5.971) 6.714 26.578 ( -3.848 -11.189 -1.244) 11.898 31.051 ( 2.967 14.894 -0.231) 15.189 31.101 ( 3.316 17.298 -1.290) 17.660 31.754 ( 1.586 -4.700 3.558) 6.104 32.069 ( -1.701 -11.733 -1.795) 11.991 ======================= Grid point 226 (41/84) ======================= q-point: ( 0.38 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( -6.042 10.466 0.214) 12.087 3.575 ( -3.098 5.366 -1.865) 6.471 3.653 ( 0.663 -1.148 -0.712) 1.505 3.813 ( 1.548 -2.682 -5.779) 6.556 3.882 ( -3.970 6.876 10.028) 12.790 4.145 ( 2.073 -3.590 16.743) 17.248 4.227 ( 2.740 -4.745 7.713) 9.461 4.745 ( -1.856 3.215 -33.756) 33.960 5.248 ( 8.091 -14.013 -50.463) 52.994 6.929 ( -5.271 9.130 46.412) 47.594 7.070 ( -0.310 0.538 -19.831) 19.840 7.550 ( 7.172 -12.422 38.088) 40.700 8.376 ( 2.235 -3.871 1.386) 4.680 8.423 ( -3.699 6.407 -1.185) 7.493 9.132 ( 4.211 -7.294 -5.843) 10.251 9.466 ( 6.657 -11.531 -7.061) 15.071 10.261 ( -1.203 2.083 5.840) 6.316 10.906 ( 8.785 -15.217 1.394) 17.626 11.875 ( -2.565 4.443 -11.202) 12.321 12.034 ( 2.386 -4.133 8.037) 9.347 12.046 ( -0.279 0.483 -7.186) 7.208 12.745 ( 3.032 -5.252 -4.374) 7.477 14.010 ( -7.963 13.791 7.984) 17.814 14.545 ( -0.140 0.242 -1.014) 1.052 16.022 ( -14.598 25.284 0.588) 29.201 16.483 ( -7.257 12.570 -0.895) 14.543 16.595 ( -8.445 14.626 -3.756) 17.302 17.055 ( -0.233 0.403 -5.252) 5.273 18.076 ( -10.624 18.401 3.845) 21.592 18.166 ( -8.862 15.349 3.844) 18.135 19.353 ( 23.115 -40.037 4.170) 46.418 19.868 ( 26.325 -45.597 -3.483) 52.766 20.914 ( 0.085 -0.147 0.482) 0.511 20.995 ( -0.613 1.061 -0.800) 1.464 22.330 ( -4.540 7.863 0.762) 9.111 22.562 ( -1.806 3.128 -4.419) 5.708 22.768 ( 2.138 -3.704 3.358) 5.437 22.830 ( 0.172 -0.297 0.793) 0.864 24.502 ( -2.652 4.593 2.622) 5.916 24.845 ( 4.720 -8.175 -2.791) 9.844 25.809 ( -9.190 15.918 1.496) 18.441 26.106 ( -1.587 2.748 -5.101) 6.008 26.340 ( 0.546 -0.946 3.584) 3.746 26.475 ( 5.112 -8.854 -0.362) 10.230 31.158 ( -7.172 12.423 -0.226) 14.347 31.226 ( -8.575 14.852 -1.728) 17.236 31.737 ( 4.306 -7.459 3.314) 9.228 31.985 ( 6.759 -11.706 -1.112) 13.563 ======================= Grid point 239 (42/84) ======================= q-point: ( 0.31 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( 3.326 5.761 2.416) 7.078 3.597 ( 2.541 4.401 -7.596) 9.139 3.656 ( -0.191 -0.330 -1.252) 1.309 3.755 ( 2.936 5.086 -3.205) 6.690 4.030 ( 1.155 2.000 7.251) 7.610 4.050 ( -1.090 -1.887 22.636) 22.741 4.171 ( -4.051 -7.016 8.694) 11.883 4.803 ( 4.284 7.421 -40.246) 41.148 5.081 ( -8.235 -14.263 -48.568) 51.284 7.024 ( 7.096 12.290 30.455) 33.599 7.099 ( 1.144 1.981 -7.356) 7.704 7.394 ( -8.351 -14.465 43.213) 46.328 8.320 ( 2.445 4.235 1.152) 5.024 8.501 ( 1.620 2.806 -2.659) 4.192 9.054 ( 2.408 4.171 -5.498) 7.309 9.353 ( -10.786 -18.683 -6.469) 22.522 10.291 ( 8.574 14.851 6.115) 18.207 10.740 ( -12.850 -22.258 2.950) 25.870 11.925 ( 3.866 6.696 -11.847) 14.147 11.994 ( -2.572 -4.454 7.936) 9.457 12.047 ( -1.639 -2.839 -8.984) 9.564 12.694 ( -2.250 -3.896 -4.244) 6.185 14.150 ( 12.920 22.378 7.100) 26.798 14.541 ( -5.973 -10.345 0.721) 11.967 16.225 ( 23.464 40.641 0.866) 46.936 16.587 ( 0.530 0.918 3.657) 3.808 16.882 ( -7.943 -13.758 -11.269) 19.477 17.055 ( 0.244 0.422 -4.764) 4.789 18.136 ( 20.400 35.334 10.695) 42.178 18.773 ( -8.802 -15.245 -4.341) 18.131 18.986 ( -14.908 -25.821 1.108) 29.836 18.997 ( -14.259 -24.697 2.587) 28.634 20.913 ( -0.122 -0.210 0.547) 0.598 21.006 ( 0.211 0.366 -0.950) 1.040 22.435 ( 4.073 7.055 0.081) 8.147 22.573 ( -0.832 -1.441 -3.622) 3.986 22.737 ( 0.278 0.482 3.648) 3.690 22.811 ( -1.863 -3.228 0.938) 3.843 24.569 ( 3.294 5.705 1.180) 6.692 24.744 ( -4.527 -7.841 -1.592) 9.192 26.035 ( 6.415 11.111 0.017) 12.830 26.085 ( 2.125 3.681 -1.239) 4.427 26.328 ( 0.568 0.984 0.923) 1.464 26.369 ( -5.637 -9.763 -0.128) 11.274 31.317 ( 6.560 11.362 -0.469) 13.128 31.407 ( 6.750 11.691 -3.255) 13.886 31.638 ( -2.915 -5.048 4.118) 7.137 31.824 ( -7.177 -12.431 -0.224) 14.356 ======================= Grid point 362 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.000 -0.000 29.815) 29.815 1.276 ( 0.000 0.000 29.815) 29.815 2.242 ( 0.000 -0.000 -21.866) 21.866 2.242 ( 0.000 0.000 -21.866) 21.866 3.184 ( 0.000 0.000 74.548) 74.548 4.046 ( 0.000 0.000 8.490) 8.490 4.046 ( 0.000 0.000 8.490) 8.490 4.196 ( 0.000 0.000 4.683) 4.683 4.196 ( 0.000 0.000 4.683) 4.683 5.070 ( 0.000 -0.000 -23.011) 23.011 5.403 ( -0.000 0.000 34.197) 34.197 5.403 ( 0.000 0.000 34.197) 34.197 7.138 ( 0.000 0.000 -50.128) 50.128 7.138 ( -0.000 -0.000 -50.128) 50.128 8.007 ( 0.000 -0.000 0.721) 0.721 8.447 ( 0.000 0.000 -23.766) 23.766 10.547 ( 0.000 -0.000 27.100) 27.100 10.547 ( 0.000 0.000 27.100) 27.100 11.316 ( 0.000 0.000 -13.652) 13.652 11.316 ( 0.000 -0.000 -13.652) 13.652 14.254 ( 0.000 0.000 7.469) 7.469 14.627 ( 0.000 -0.000 -11.807) 11.807 16.584 ( 0.000 0.000 3.790) 3.790 16.587 ( 0.000 -0.000 1.679) 1.679 17.694 ( 0.000 0.000 1.080) 1.080 17.694 ( 0.000 -0.000 1.080) 1.080 17.738 ( 0.000 -0.000 -1.074) 1.074 17.738 ( 0.000 0.000 -1.074) 1.074 18.615 ( 0.000 -0.000 35.858) 35.858 20.159 ( 0.000 -0.000 -40.319) 40.319 21.155 ( 0.000 0.000 -0.098) 0.098 21.155 ( 0.000 -0.000 -0.098) 0.098 21.157 ( 0.000 0.000 -0.205) 0.205 21.157 ( 0.000 -0.000 -0.205) 0.205 21.459 ( 0.000 0.000 0.394) 0.394 21.472 ( 0.000 0.000 -0.143) 0.143 21.607 ( 0.000 0.000 1.097) 1.097 21.607 ( 0.000 -0.000 1.097) 1.097 21.648 ( 0.000 0.000 -0.908) 0.908 21.648 ( 0.000 0.000 -0.908) 0.908 25.163 ( 0.000 -0.000 27.848) 27.848 26.160 ( 0.000 0.000 -22.314) 22.314 29.224 ( 0.000 0.000 10.164) 10.164 29.582 ( 0.000 0.000 -7.572) 7.572 29.725 ( -0.000 0.000 0.051) 0.051 29.725 ( 0.000 -0.000 0.051) 0.051 29.727 ( 0.000 -0.000 -0.046) 0.046 29.727 ( 0.000 0.000 -0.046) 0.046 ======================= Grid point 363 (44/84) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 27.612 15.942 22.975) 39.299 1.936 ( 37.683 21.756 19.888) 47.843 2.449 ( 16.983 9.805 -17.643) 26.379 2.578 ( 21.823 12.599 -12.751) 28.241 3.237 ( 7.614 4.396 66.912) 67.487 4.191 ( 12.488 7.210 8.552) 16.765 4.205 ( 10.277 5.934 9.880) 15.442 4.513 ( 29.180 16.847 2.571) 33.792 4.520 ( 27.611 15.941 4.507) 32.199 5.035 ( -2.669 -1.541 -19.581) 19.822 5.419 ( 3.639 2.101 25.222) 25.570 5.478 ( 8.602 4.966 32.502) 33.986 6.995 ( -11.640 -6.720 -48.594) 50.418 7.142 ( 0.942 0.544 -47.028) 47.041 7.766 ( -14.794 -8.542 13.956) 22.059 8.519 ( 6.334 3.657 -27.845) 28.789 10.523 ( -2.220 -1.282 26.636) 26.759 10.552 ( 0.173 0.100 28.203) 28.204 11.283 ( -2.869 -1.656 -13.626) 14.023 11.402 ( 5.279 3.048 -17.859) 18.871 14.291 ( 3.084 1.781 7.877) 8.645 14.675 ( 4.279 2.470 -11.904) 12.889 16.218 ( -27.963 -16.145 4.611) 32.617 16.328 ( -23.235 -13.415 -0.800) 26.841 17.286 ( -32.924 -19.009 1.545) 38.049 17.344 ( -32.032 -18.494 -1.358) 37.012 17.554 ( -11.001 -6.351 9.641) 15.947 17.669 ( -5.009 -2.892 1.327) 5.934 18.782 ( 9.104 5.256 28.265) 30.156 20.138 ( -1.460 -0.843 -33.481) 33.524 21.039 ( -7.615 -4.397 0.388) 8.802 21.067 ( -7.628 -4.404 -0.378) 8.816 21.166 ( 1.363 0.787 -0.044) 1.575 21.200 ( 2.758 1.592 -2.105) 3.817 21.463 ( 8.659 4.999 -0.646) 10.020 21.475 ( 5.564 3.213 -0.232) 6.429 21.746 ( 13.137 7.584 0.103) 15.169 21.769 ( 11.209 6.471 -0.667) 12.960 22.136 ( 33.041 19.076 0.509) 38.156 22.306 ( 42.432 24.498 -15.163) 51.289 25.105 ( -4.858 -2.805 26.619) 27.204 26.072 ( -7.562 -4.366 -21.756) 23.443 28.278 ( -51.396 -29.673 26.591) 65.032 28.679 ( -30.547 -17.636 -1.276) 35.295 29.772 ( 4.191 2.420 0.057) 4.840 29.775 ( 4.257 2.458 -0.066) 4.916 30.275 ( 30.786 17.774 10.755) 37.140 30.978 ( 47.049 27.164 -30.463) 62.286 ======================= Grid point 364 (45/84) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 24.357 14.063 16.025) 32.370 2.472 ( 13.348 7.706 22.550) 27.314 2.848 ( 14.623 8.443 -6.925) 18.250 2.987 ( 14.632 8.448 -3.551) 17.265 3.577 ( 19.447 11.228 41.600) 47.274 4.471 ( 12.377 7.146 15.944) 21.412 4.543 ( 13.321 7.691 11.402) 19.147 4.914 ( -1.081 -0.624 -8.476) 8.568 5.065 ( 18.245 10.533 9.230) 23.000 5.228 ( 19.216 11.094 2.897) 22.377 5.813 ( 32.593 18.818 1.460) 37.664 6.040 ( 40.121 23.164 9.262) 47.245 6.744 ( -2.277 -1.315 -40.181) 40.267 7.258 ( 12.174 7.029 -40.977) 43.321 7.584 ( 1.599 0.923 24.562) 24.631 8.722 ( 11.735 6.775 -32.280) 35.009 10.451 ( -4.006 -2.313 26.052) 26.460 10.546 ( -0.616 -0.355 29.583) 29.591 11.199 ( -4.298 -2.481 -13.749) 14.617 11.479 ( 1.178 0.680 -19.953) 19.999 14.362 ( 1.560 0.901 9.541) 9.709 14.804 ( 6.061 3.499 -13.044) 14.803 15.489 ( -34.979 -20.195 3.090) 40.509 15.604 ( -38.133 -22.016 -2.727) 44.116 16.391 ( -44.051 -25.433 2.099) 50.909 16.480 ( -42.167 -24.345 -2.206) 48.740 17.355 ( -7.272 -4.199 12.289) 14.884 17.455 ( -12.926 -7.463 4.649) 15.633 18.862 ( -2.952 -1.704 24.895) 25.127 20.038 ( -8.943 -5.163 -27.546) 29.418 20.892 ( -4.720 -2.725 2.381) 5.948 20.957 ( -2.969 -1.714 -1.088) 3.596 21.234 ( 4.854 2.803 0.497) 5.627 21.308 ( 7.189 4.151 -2.169) 8.580 21.580 ( 3.788 2.187 -0.280) 4.383 21.626 ( 5.484 3.166 -3.276) 7.130 22.068 ( 15.208 8.780 0.377) 17.565 22.142 ( 17.428 10.062 -3.771) 20.475 22.966 ( 39.192 22.627 2.198) 45.308 23.290 ( 43.207 24.946 -22.078) 54.558 24.970 ( -6.610 -3.817 23.142) 24.368 25.845 ( -12.118 -6.996 -20.024) 24.428 27.397 ( -28.824 -16.642 31.285) 45.679 28.037 ( -26.272 -15.168 -7.115) 31.160 29.907 ( 7.655 4.419 0.080) 8.839 29.912 ( 7.821 4.516 -0.152) 9.032 30.919 ( 26.005 15.014 14.910) 33.526 31.739 ( 22.884 13.212 -28.701) 39.012 ======================= Grid point 365 (46/84) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 8.788 5.074 21.593) 23.858 2.770 ( 14.368 8.295 15.998) 23.048 3.092 ( 8.182 4.724 -2.973) 9.904 3.266 ( 10.821 6.248 -1.800) 12.624 3.949 ( 12.662 7.311 22.034) 26.444 4.607 ( -2.004 -1.157 9.570) 9.846 4.643 ( -0.688 -0.397 15.061) 15.082 4.887 ( -0.096 -0.055 9.852) 9.853 5.535 ( 6.282 3.627 -20.513) 21.758 5.652 ( 30.135 17.398 -2.932) 34.920 6.332 ( 10.072 5.815 -13.990) 18.192 6.433 ( 15.836 9.143 -9.768) 20.731 7.493 ( 19.747 11.401 -5.908) 23.555 7.584 ( 40.928 23.630 -4.933) 47.516 8.183 ( 50.682 29.261 6.886) 58.926 9.054 ( 18.564 10.718 -28.796) 35.899 10.355 ( -4.049 -2.338 25.307) 25.736 10.555 ( 3.084 1.781 27.832) 28.059 11.108 ( -3.286 -1.897 -14.611) 15.096 11.463 ( -1.990 -1.149 -19.292) 19.428 14.145 ( -27.041 -15.612 9.826) 32.734 14.533 ( -37.637 -21.730 -8.828) 44.347 14.850 ( -18.096 -10.448 4.382) 21.350 15.101 ( -3.802 -2.195 -9.232) 10.223 15.463 ( -32.464 -18.743 2.843) 37.594 15.582 ( -33.088 -19.103 -2.711) 38.302 17.117 ( -15.708 -9.069 6.961) 19.428 17.203 ( -8.110 -4.683 5.158) 10.691 18.664 ( -13.824 -7.982 25.907) 30.430 19.728 ( -18.324 -10.579 -22.639) 30.988 20.824 ( -1.662 -0.960 2.935) 3.507 20.908 ( -1.559 -0.900 -1.391) 2.275 21.361 ( 5.211 3.009 2.119) 6.380 21.501 ( 8.974 5.181 -2.960) 10.777 21.634 ( 1.373 0.792 0.172) 1.594 21.742 ( 5.820 3.360 -5.373) 8.604 22.374 ( 11.288 6.517 0.100) 13.034 22.463 ( 10.994 6.348 -3.666) 13.214 23.818 ( 35.781 20.658 4.017) 41.512 24.178 ( 35.216 20.332 -18.606) 44.718 24.838 ( -4.335 -2.503 18.006) 18.689 25.564 ( -12.270 -7.084 -17.129) 22.229 26.918 ( -15.285 -8.825 25.250) 30.807 27.514 ( -20.443 -11.803 -8.367) 25.044 30.104 ( 9.706 5.604 0.121) 11.209 30.114 ( 9.952 5.746 -0.327) 11.497 31.422 ( 18.929 10.929 14.058) 25.988 32.089 ( 10.067 5.812 -19.426) 22.638 ======================= Grid point 366 (47/84) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 7.918 4.572 16.948) 19.257 3.049 ( 10.797 6.234 11.414) 16.903 3.237 ( 5.123 2.958 -1.205) 6.037 3.482 ( 8.536 4.928 -1.979) 10.053 4.129 ( 3.222 1.860 9.041) 9.776 4.509 ( -4.564 -2.635 2.710) 5.926 4.592 ( -2.961 -1.709 10.885) 11.410 4.867 ( -1.924 -1.111 24.908) 25.007 5.393 ( -13.223 -7.634 -44.645) 47.184 6.218 ( 15.593 9.003 -25.271) 31.029 6.732 ( 19.510 11.264 16.387) 27.858 6.931 ( 33.578 19.386 -3.780) 38.957 7.793 ( 16.200 9.353 4.366) 19.209 8.364 ( 18.860 10.889 -1.853) 21.857 9.343 ( 43.704 25.232 -1.233) 50.480 9.472 ( 11.843 6.837 -10.829) 17.443 10.318 ( 1.952 1.127 21.757) 21.873 10.809 ( 19.907 11.493 13.335) 26.575 11.105 ( 7.117 4.109 -13.465) 15.775 11.452 ( 3.743 2.161 -13.740) 14.404 13.364 ( -35.993 -20.780 8.301) 42.382 13.702 ( -32.490 -18.758 -8.339) 38.432 14.263 ( -34.079 -19.675 7.535) 40.066 14.584 ( -30.092 -17.374 -8.535) 35.780 15.125 ( -1.691 -0.977 8.531) 8.752 15.512 ( 11.414 6.590 -11.837) 17.715 16.757 ( -15.689 -9.058 7.326) 19.541 16.985 ( -11.984 -6.919 -3.179) 14.198 18.296 ( -17.773 -10.261 27.895) 34.631 19.242 ( -24.683 -14.251 -17.715) 33.558 20.811 ( 0.513 0.296 2.685) 2.750 20.888 ( -0.170 -0.098 -1.202) 1.218 21.407 ( -1.466 -0.846 3.183) 3.605 21.589 ( -1.281 -0.740 -4.564) 4.798 21.746 ( 8.937 5.160 1.643) 10.450 21.914 ( 9.139 5.276 -6.078) 12.178 22.555 ( 4.859 2.806 -0.170) 5.614 22.641 ( 5.283 3.050 -2.994) 6.795 24.515 ( 24.975 14.419 5.716) 29.399 24.659 ( 2.927 1.690 9.055) 9.666 24.972 ( 21.684 12.519 -9.974) 26.951 25.322 ( -8.990 -5.191 -13.476) 17.011 26.675 ( -7.070 -4.082 17.725) 19.514 27.125 ( -14.342 -8.281 -7.056) 18.002 30.326 ( 9.747 5.627 0.167) 11.256 30.341 ( 9.976 5.760 -0.548) 11.532 31.767 ( 12.051 6.958 11.044) 17.765 32.237 ( 3.849 2.222 -12.010) 12.806 ======================= Grid point 367 (48/84) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 6.933 4.003 9.272) 12.250 3.256 ( 6.548 3.780 1.831) 7.779 3.349 ( 6.702 3.870 5.495) 9.492 3.644 ( 5.903 3.408 -1.671) 7.018 4.083 ( -6.907 -3.988 -1.467) 8.109 4.448 ( -0.892 -0.515 1.196) 1.578 4.535 ( -2.007 -1.159 10.534) 10.786 4.815 ( -2.298 -1.327 27.783) 27.910 5.098 ( -11.721 -6.767 -44.778) 46.779 6.382 ( 2.451 1.415 -39.664) 39.765 7.175 ( 17.502 10.105 34.578) 40.051 7.703 ( 31.258 18.047 -2.050) 36.151 8.182 ( 16.172 9.337 7.433) 20.099 8.599 ( 7.526 4.345 6.108) 10.622 9.479 ( -6.863 -3.963 -1.046) 7.994 9.878 ( 5.260 3.037 -10.810) 12.399 10.405 ( 3.953 2.282 15.209) 15.879 11.032 ( 4.083 2.357 -16.663) 17.317 11.642 ( 24.047 13.884 2.253) 27.858 11.722 ( 16.574 9.569 -2.140) 19.258 12.709 ( -19.834 -11.451 11.289) 25.533 13.158 ( -15.919 -9.191 -10.732) 21.285 13.636 ( -15.819 -9.133 10.512) 21.075 14.095 ( -9.305 -5.372 -12.759) 16.680 15.115 ( -2.215 -1.279 14.339) 14.565 15.701 ( 1.473 0.850 -16.079) 16.168 16.466 ( -10.142 -5.856 3.891) 12.341 16.683 ( -11.993 -6.924 -5.492) 14.897 17.939 ( -12.434 -7.179 25.047) 28.871 18.655 ( -26.897 -15.529 -11.349) 33.066 20.847 ( 2.592 1.497 1.976) 3.587 20.897 ( 0.857 0.495 -0.656) 1.187 21.323 ( -5.212 -3.009 4.013) 7.234 21.537 ( -2.721 -1.571 -5.374) 6.225 21.939 ( 7.563 4.366 2.059) 8.972 22.117 ( 8.497 4.905 -5.880) 11.438 22.604 ( -0.033 -0.019 0.837) 0.838 22.713 ( 1.498 0.865 -3.857) 4.227 24.620 ( -1.482 -0.856 12.718) 12.832 24.973 ( 12.968 7.487 4.414) 15.611 25.168 ( -3.612 -2.085 -8.053) 9.069 25.423 ( 15.443 8.916 -13.366) 22.285 26.582 ( -1.678 -0.969 11.368) 11.532 26.877 ( -7.813 -4.511 -4.797) 10.217 30.522 ( 7.388 4.266 0.189) 8.534 30.541 ( 7.513 4.337 -0.728) 8.705 31.969 ( 6.308 3.642 8.069) 10.870 32.285 ( 0.921 0.532 -7.339) 7.415 ======================= Grid point 368 (49/84) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 2.825 1.631 5.731) 6.594 3.322 ( 0.872 0.504 -2.873) 3.044 3.567 ( 10.825 6.250 6.465) 14.073 3.738 ( 2.348 1.356 -1.115) 2.932 3.871 ( -10.698 -6.176 -4.549) 13.164 4.442 ( -0.024 -0.014 -3.488) 3.488 4.506 ( -0.614 -0.355 11.555) 11.577 4.781 ( -0.624 -0.360 26.854) 26.863 4.907 ( -4.807 -2.775 -40.040) 40.423 6.404 ( 0.228 0.132 -42.879) 42.879 7.456 ( 6.883 3.974 39.382) 40.176 8.106 ( 4.323 2.496 1.786) 5.301 8.542 ( 17.086 9.865 14.780) 24.652 8.761 ( 1.325 0.765 12.923) 13.013 9.381 ( 2.738 1.581 -10.259) 10.735 9.737 ( -13.014 -7.514 -15.052) 21.269 10.536 ( 6.695 3.865 10.422) 12.976 11.080 ( -0.237 -0.137 -17.240) 17.242 11.810 ( -2.796 -1.614 2.539) 4.107 11.901 ( 1.436 0.829 -2.022) 2.615 12.453 ( -6.221 -3.592 13.112) 14.951 12.932 ( -5.312 -3.067 -10.743) 12.371 13.732 ( 16.686 9.634 11.612) 22.496 14.177 ( 7.709 4.451 -10.520) 13.781 15.034 ( -0.370 -0.214 10.141) 10.150 15.494 ( -16.733 -9.661 -13.493) 23.566 16.219 ( -8.006 -4.622 9.294) 13.109 16.648 ( 4.160 2.402 -13.143) 13.993 17.813 ( 2.324 1.342 14.301) 14.551 18.105 ( -20.023 -11.561 -1.100) 23.147 20.911 ( 2.141 1.236 0.339) 2.496 20.917 ( 0.878 0.507 -0.015) 1.014 21.212 ( -3.610 -2.084 5.951) 7.265 21.488 ( -1.325 -0.765 -6.545) 6.722 22.062 ( 3.001 1.733 2.903) 4.521 22.268 ( 4.211 2.431 -6.865) 8.412 22.578 ( -1.451 -0.838 2.662) 3.145 22.726 ( 0.021 0.012 -5.007) 5.007 24.596 ( -0.573 -0.331 12.535) 12.553 25.060 ( -0.818 -0.472 -10.098) 10.142 25.211 ( 3.470 2.003 9.028) 9.877 25.650 ( 4.909 2.834 -13.504) 14.645 26.572 ( 0.123 0.071 7.911) 7.912 26.770 ( -2.118 -1.223 -3.059) 3.916 30.639 ( 2.792 1.612 0.185) 3.230 30.660 ( 2.820 1.628 -0.816) 3.357 32.059 ( 1.896 1.095 6.331) 6.698 32.293 ( 0.031 0.018 -5.094) 5.094 ======================= Grid point 376 (50/84) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 15.610 27.037 17.821) 35.948 2.382 ( 9.737 16.866 20.542) 28.307 2.757 ( 10.254 17.761 -9.816) 22.737 2.888 ( 9.052 15.679 -4.708) 18.707 3.460 ( 10.636 18.422 49.034) 53.449 4.386 ( 7.116 12.326 14.218) 20.117 4.457 ( 9.803 16.979 9.204) 21.659 4.920 ( 11.454 19.839 17.772) 28.994 4.933 ( 0.748 1.296 -15.983) 16.053 5.111 ( 12.621 21.860 -0.299) 25.243 5.642 ( 15.526 26.891 5.595) 31.551 5.807 ( 20.757 35.953 20.078) 46.115 6.789 ( -6.366 -11.027 -45.420) 47.171 7.198 ( 4.416 7.649 -40.756) 41.702 7.599 ( -2.384 -4.128 20.744) 21.284 8.657 ( 6.034 10.451 -31.620) 33.845 10.472 ( -2.195 -3.803 25.952) 26.321 10.550 ( -0.261 -0.453 29.633) 29.638 11.218 ( -2.686 -4.652 -13.674) 14.692 11.474 ( 1.677 2.905 -19.754) 20.037 14.348 ( 1.852 3.208 8.898) 9.638 14.766 ( 3.698 6.405 -12.475) 14.503 15.711 ( -18.981 -32.877 3.902) 38.163 15.843 ( -19.989 -34.622 -2.880) 40.081 16.609 ( -26.938 -46.658 1.747) 53.905 16.687 ( -26.011 -45.052 -2.018) 52.060 17.419 ( -3.675 -6.365 13.710) 15.556 17.559 ( -5.295 -9.172 3.679) 11.211 18.904 ( 2.495 4.322 24.729) 25.228 20.115 ( -1.506 -2.608 -29.384) 29.537 20.918 ( -4.374 -7.576 0.502) 8.762 20.949 ( -4.652 -8.058 -0.014) 9.304 21.132 ( -0.996 -1.725 -0.192) 2.001 21.136 ( -1.020 -1.767 -0.726) 2.166 21.635 ( 5.900 10.219 1.543) 11.900 21.784 ( 9.106 15.772 -7.518) 19.702 21.942 ( 8.861 15.347 1.011) 17.750 21.980 ( 8.839 15.309 -0.848) 17.698 22.736 ( 22.612 39.165 1.506) 45.249 23.024 ( 25.309 43.837 -21.598) 55.033 25.009 ( -3.780 -6.547 24.218) 25.370 25.915 ( -6.585 -11.405 -20.612) 24.460 27.582 ( -19.752 -34.212 31.800) 50.713 28.197 ( -16.087 -27.863 -6.103) 32.747 29.868 ( 4.193 7.263 0.050) 8.387 29.871 ( 4.227 7.322 -0.100) 8.455 30.756 ( 15.873 27.493 14.404) 34.861 31.584 ( 16.161 27.992 -30.737) 44.604 ======================= Grid point 377 (51/84) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 9.548 14.098 17.616) 24.500 2.626 ( 11.284 8.694 21.863) 26.094 3.034 ( 7.032 9.877 -4.320) 12.871 3.158 ( 9.555 8.735 -1.774) 13.067 3.830 ( 12.042 13.144 27.733) 32.968 4.594 ( 4.164 4.127 16.816) 17.809 4.644 ( 0.384 0.735 14.157) 14.181 4.886 ( -0.970 -1.550 -1.397) 2.301 5.370 ( 22.565 22.026 1.848) 31.588 5.455 ( 10.035 10.648 -5.909) 15.780 6.255 ( 14.550 19.048 -3.024) 24.159 6.308 ( 3.859 1.266 -26.692) 26.999 7.161 ( 38.616 47.070 -4.637) 61.059 7.453 ( 7.804 9.521 -21.255) 24.563 7.850 ( 27.703 34.239 14.072) 46.236 8.924 ( 11.899 14.339 -31.374) 36.490 10.385 ( -3.214 -4.250 25.027) 25.588 10.541 ( 0.304 0.233 29.856) 29.859 11.121 ( -2.711 -4.977 -14.241) 15.327 11.491 ( -1.293 0.059 -19.804) 19.846 14.311 ( -9.432 -10.188 10.650) 17.498 14.787 ( -13.672 -14.971 -13.235) 24.212 15.082 ( -21.376 -16.637 2.304) 27.185 15.189 ( -13.679 -10.109 -3.280) 17.323 15.640 ( -28.828 -48.160 2.984) 56.208 15.766 ( -27.560 -45.175 -3.157) 53.012 17.297 ( -7.871 -2.842 9.302) 12.512 17.324 ( -11.298 -6.708 6.742) 14.768 18.869 ( -10.584 1.014 24.062) 26.306 19.967 ( -14.502 -2.702 -25.502) 29.461 20.769 ( -0.879 -10.165 2.690) 10.551 20.854 ( 3.521 -10.340 -1.631) 11.045 21.124 ( 5.115 -7.060 -0.059) 8.718 21.152 ( 8.818 -9.876 -1.368) 13.310 21.795 ( -0.026 12.648 2.025) 12.809 21.963 ( -4.063 19.203 -6.577) 20.701 22.280 ( 11.280 12.474 0.059) 16.818 22.325 ( 14.267 10.417 -1.971) 17.775 23.544 ( 28.520 35.093 2.684) 45.300 23.874 ( 29.571 32.910 -19.735) 48.446 24.878 ( -4.258 -4.964 19.759) 20.814 25.659 ( -9.646 -11.656 -18.254) 23.709 27.047 ( -14.452 -17.479 27.835) 35.904 27.680 ( -17.008 -20.203 -8.369) 27.703 30.044 ( 6.809 9.623 0.032) 11.788 30.050 ( 7.020 9.559 -0.193) 11.861 31.255 ( 16.304 17.975 14.752) 28.400 31.989 ( 10.309 11.073 -22.677) 27.260 ======================= Grid point 378 (52/84) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 5.666 7.056 20.629) 22.526 2.934 ( 11.311 8.782 12.379) 18.929 3.204 ( 4.245 6.485 -2.568) 8.165 3.384 ( 8.929 5.807 -2.008) 10.839 4.077 ( 6.468 5.320 14.900) 17.092 4.558 ( -4.732 -3.484 4.431) 7.360 4.612 ( -1.929 -2.944 10.334) 10.917 4.875 ( -0.350 -1.188 22.060) 22.095 5.478 ( -7.806 -10.106 -39.893) 41.887 6.002 ( 23.427 17.520 -12.681) 31.883 6.553 ( 19.744 16.617 -0.803) 25.819 6.625 ( 17.583 12.000 -2.666) 21.454 7.669 ( 10.193 10.697 1.575) 14.859 8.158 ( 25.355 26.422 -2.419) 36.700 8.945 ( 42.504 45.396 1.248) 62.201 9.337 ( 15.812 16.572 -18.858) 29.670 10.306 ( -0.984 -2.232 23.277) 23.405 10.656 ( 11.509 11.027 22.764) 27.789 11.062 ( 1.155 -1.283 -15.550) 15.646 11.457 ( -1.300 0.830 -16.882) 16.952 13.720 ( -32.067 -26.362 8.174) 42.309 14.042 ( -32.974 -27.247 -7.585) 43.442 14.520 ( -29.151 -33.122 6.072) 44.539 14.788 ( -23.082 -31.161 -6.664) 39.347 15.111 ( -1.241 -8.390 5.153) 9.924 15.391 ( 10.756 6.471 -9.192) 15.558 16.997 ( -17.625 -4.450 7.505) 19.666 17.155 ( -10.317 -1.219 1.736) 10.533 18.584 ( -21.968 -1.298 25.704) 33.838 19.579 ( -26.259 -5.271 -20.664) 33.828 20.710 ( 6.392 -12.582 3.806) 14.616 20.839 ( 4.713 -7.861 -2.368) 9.467 21.149 ( 8.473 -12.804 0.407) 15.359 21.217 ( 14.093 -17.882 -2.694) 22.927 21.896 ( -1.970 12.864 2.003) 13.168 22.065 ( -3.865 16.582 -6.215) 18.125 22.532 ( 5.660 9.426 0.264) 10.998 22.595 ( 7.342 7.839 -1.885) 10.905 24.306 ( 24.024 28.380 3.678) 37.364 24.554 ( 16.549 12.987 -4.645) 21.543 24.844 ( 6.532 7.950 4.614) 11.276 25.396 ( -8.477 -9.860 -14.814) 19.711 26.736 ( -7.892 -9.395 20.694) 24.058 27.251 ( -13.726 -14.661 -7.839) 21.560 30.269 ( 7.442 11.233 0.016) 13.475 30.277 ( 7.797 10.984 -0.353) 13.474 31.634 ( 12.631 10.124 12.310) 20.337 32.179 ( 5.228 2.936 -14.588) 15.772 ======================= Grid point 379 (53/84) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( 6.312 6.883 12.299) 15.444 3.178 ( 8.914 7.147 8.163) 14.042 3.314 ( 2.834 4.857 -0.465) 5.642 3.568 ( 7.295 3.888 -2.143) 8.539 4.137 ( -2.286 -0.998 3.135) 4.006 4.457 ( -2.450 -2.688 2.458) 4.390 4.546 ( -1.848 -3.089 7.966) 8.742 4.837 ( -1.935 -1.914 29.062) 29.189 5.177 ( -10.401 -14.343 -45.992) 49.286 6.344 ( 5.984 4.731 -34.886) 35.710 6.982 ( 18.869 14.111 27.517) 36.227 7.321 ( 34.634 20.455 -1.531) 40.252 8.005 ( 15.601 11.603 5.046) 20.087 8.523 ( 6.156 4.779 2.613) 8.220 9.515 ( -2.544 -3.734 -1.242) 4.686 9.772 ( 15.352 14.266 -6.225) 21.862 10.344 ( 4.353 0.783 17.142) 17.704 10.971 ( 6.009 3.307 -12.669) 14.407 11.398 ( 26.576 26.502 1.545) 37.563 11.587 ( 11.815 12.536 -5.865) 18.197 12.964 ( -27.156 -19.384 9.558) 34.707 13.349 ( -21.793 -17.429 -9.262) 29.402 13.762 ( -19.476 -28.641 9.261) 35.853 14.183 ( -13.671 -19.402 -11.847) 26.527 15.147 ( 0.998 4.468 12.485) 13.298 15.676 ( 9.166 10.978 -15.065) 20.773 16.671 ( -16.714 -0.939 6.806) 18.071 16.920 ( -16.829 -0.416 -5.084) 17.585 18.168 ( -22.377 -3.875 26.839) 35.158 19.018 ( -31.256 -9.234 -15.277) 35.994 20.727 ( 9.792 -12.088 4.085) 16.084 20.856 ( 4.367 -4.277 -1.913) 6.405 21.135 ( 6.105 -16.082 1.124) 17.238 21.253 ( 13.408 -22.868 -4.322) 26.859 21.991 ( -0.489 10.971 2.297) 11.219 22.167 ( -0.686 12.445 -5.971) 13.820 22.653 ( -0.361 7.154 0.706) 7.197 22.733 ( 1.586 5.919 -1.971) 6.437 24.615 ( -0.133 -2.241 11.708) 11.922 24.883 ( 13.504 18.964 3.811) 23.591 25.180 ( -0.730 -2.739 -10.328) 10.710 25.296 ( 13.043 14.019 -11.737) 22.459 26.585 ( -2.236 -4.956 13.710) 14.749 26.943 ( -8.581 -10.250 -5.837) 14.586 30.494 ( 5.705 11.621 -0.010) 12.946 30.506 ( 6.112 11.105 -0.521) 12.687 31.877 ( 8.412 3.902 9.147) 13.025 32.247 ( 2.591 -1.490 -8.912) 9.400 ======================= Grid point 380 (54/84) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 3.822 5.507 6.069) 9.043 3.331 ( 1.228 4.277 -2.389) 5.051 3.458 ( 9.471 6.864 5.889) 13.096 3.696 ( 4.463 1.915 -1.357) 5.043 3.992 ( -10.092 -5.164 -3.655) 11.910 4.430 ( 0.793 -1.279 0.700) 1.660 4.497 ( -0.670 -2.772 7.631) 8.147 4.790 ( -1.040 -1.700 25.949) 26.025 4.913 ( -5.098 -11.755 -38.514) 40.590 6.412 ( 0.322 1.778 -41.273) 41.312 7.371 ( 11.565 10.193 37.719) 40.748 7.998 ( 20.154 12.705 -2.245) 23.930 8.327 ( 13.610 5.106 11.971) 18.831 8.652 ( 9.427 0.064 10.275) 13.945 9.350 ( -3.954 -9.242 -3.225) 10.557 9.826 ( -7.369 -9.134 -14.599) 18.731 10.420 ( 7.597 -0.436 13.707) 15.677 11.059 ( 2.504 0.357 -19.180) 19.346 11.821 ( 1.142 1.198 2.192) 2.746 11.879 ( 4.592 5.428 -0.965) 7.175 12.533 ( -10.377 -8.175 11.950) 17.813 12.976 ( -8.293 -10.407 -9.944) 16.612 13.559 ( 12.711 6.109 12.502) 18.847 14.098 ( 8.607 8.138 -14.837) 18.986 15.157 ( -6.036 7.843 14.907) 17.893 15.766 ( -12.675 7.122 -16.028) 21.640 16.432 ( -16.129 1.814 4.159) 16.755 16.683 ( -6.182 5.385 -7.127) 10.863 17.854 ( -8.803 -1.857 20.721) 22.590 18.400 ( -28.832 -11.090 -7.508) 31.790 20.800 ( 12.545 -11.985 4.125) 17.834 20.896 ( 3.046 -0.982 -0.765) 3.291 21.047 ( 2.154 -15.472 1.864) 15.732 21.232 ( 12.470 -25.150 -6.289) 28.767 22.082 ( 0.289 7.343 2.857) 7.885 22.273 ( 1.176 7.399 -6.135) 9.683 22.677 ( -4.257 6.956 1.742) 8.339 22.779 ( -1.685 4.672 -2.812) 5.707 24.587 ( -0.115 -2.051 11.497) 11.679 25.031 ( 0.376 -5.034 -9.821) 11.042 25.247 ( 2.159 13.393 7.202) 15.360 25.621 ( 6.960 10.993 -12.145) 17.798 26.546 ( 1.249 -2.729 8.639) 9.145 26.768 ( -2.547 -6.658 -3.597) 7.985 30.666 ( 1.481 10.438 -0.059) 10.543 30.678 ( 1.924 9.645 -0.622) 9.854 32.001 ( 4.872 -0.569 6.742) 8.337 32.255 ( 1.959 -3.807 -5.628) 7.071 ======================= Grid point 381 (55/84) ======================= q-point: ( 0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -1.445 2.503 4.483) 5.334 3.355 ( -1.671 2.894 -2.950) 4.458 3.670 ( -0.846 1.466 7.516) 7.704 3.760 ( -0.262 0.455 -3.769) 3.805 3.769 ( 0.628 -1.088 -5.713) 5.850 4.436 ( 0.361 -0.626 -3.812) 3.880 4.474 ( 1.493 -2.586 9.799) 10.244 4.785 ( -0.275 0.476 29.486) 29.491 4.798 ( 4.697 -8.135 -39.469) 40.571 6.420 ( -0.791 1.369 -42.607) 42.637 7.526 ( -1.804 3.124 39.459) 39.624 8.155 ( -1.719 2.977 3.737) 5.077 8.629 ( 3.387 -5.866 23.549) 24.504 8.666 ( 3.021 -5.233 5.970) 8.494 9.345 ( 4.460 -7.725 -12.616) 15.451 9.587 ( 2.834 -4.908 -14.532) 15.598 10.533 ( 2.464 -4.268 9.383) 10.598 11.057 ( 1.028 -1.781 -16.134) 16.265 11.770 ( 1.217 -2.107 2.100) 3.214 11.910 ( -0.169 0.293 -3.904) 3.919 12.391 ( 1.542 -2.671 12.986) 13.347 12.852 ( 2.773 -4.803 -9.992) 11.428 13.872 ( -1.690 2.927 11.560) 12.044 14.260 ( -2.676 4.635 -7.151) 8.932 15.214 ( -8.885 15.390 4.543) 18.342 15.522 ( -8.790 15.225 -11.003) 20.740 16.265 ( -5.055 8.755 10.213) 14.370 16.726 ( -2.841 4.921 -13.900) 15.017 17.874 ( -0.917 1.589 8.637) 8.830 17.968 ( -0.886 1.535 3.711) 4.112 20.885 ( 11.247 -19.481 4.581) 22.956 20.935 ( -0.319 0.553 -0.513) 0.819 20.936 ( 4.246 -7.355 2.408) 8.827 21.210 ( 14.701 -25.463 -7.540) 30.354 22.123 ( -2.359 4.086 3.203) 5.702 22.324 ( -1.654 2.865 -6.577) 7.362 22.670 ( -4.722 8.178 2.563) 9.785 22.784 ( -2.521 4.367 -3.361) 6.060 24.576 ( 0.774 -1.341 11.283) 11.389 25.003 ( 2.805 -4.858 -9.671) 11.180 25.332 ( -5.635 9.759 8.407) 14.060 25.731 ( -3.002 5.200 -12.249) 13.641 26.548 ( 1.448 -2.508 6.867) 7.453 26.718 ( 2.345 -4.061 -2.581) 5.353 30.731 ( -4.389 7.602 -0.091) 8.779 30.743 ( -3.871 6.705 -0.649) 7.770 32.038 ( 1.848 -3.200 5.859) 6.927 32.251 ( 2.473 -4.283 -4.545) 6.717 ======================= Grid point 391 (56/84) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 4.289 7.429 23.359) 24.884 2.869 ( 7.763 13.446 11.262) 19.181 3.208 ( 4.480 7.760 -3.448) 9.601 3.325 ( 4.977 8.620 -1.874) 10.129 4.043 ( 4.864 8.424 17.355) 19.895 4.592 ( -2.727 -4.722 6.976) 8.854 4.603 ( -1.634 -2.830 8.418) 9.030 4.869 ( -0.352 -0.609 20.407) 20.419 5.489 ( -5.515 -9.553 -36.363) 38.000 5.872 ( 15.503 26.851 -8.633) 32.185 6.442 ( 12.094 20.948 -9.904) 26.137 6.558 ( 7.036 12.186 0.443) 14.078 7.640 ( 6.652 11.521 -0.177) 13.305 8.068 ( 21.416 37.094 -2.069) 42.882 8.811 ( 32.539 56.359 1.699) 65.100 9.285 ( 12.223 21.170 -21.364) 32.466 10.304 ( -1.988 -3.443 23.207) 23.545 10.616 ( 6.300 10.912 25.388) 28.343 11.044 ( -0.904 -1.566 -15.580) 15.685 11.477 ( -0.447 -0.774 -17.645) 17.668 13.871 ( -18.738 -32.456 8.524) 38.434 14.204 ( -21.223 -36.759 -7.705) 43.139 14.619 ( -29.012 -50.250 4.625) 58.207 14.812 ( -20.074 -34.769 -4.497) 40.399 15.060 ( -2.346 -4.064 4.050) 6.199 15.317 ( 7.322 12.683 -8.997) 17.188 17.143 ( -6.392 -11.071 7.453) 14.798 17.240 ( -2.567 -4.446 5.100) 7.237 18.828 ( -4.061 -7.034 23.969) 25.307 19.864 ( -6.090 -10.548 -24.245) 27.133 20.557 ( -6.998 -12.121 0.662) 14.011 20.576 ( -7.107 -12.309 0.402) 14.219 21.037 ( -1.627 -2.817 -0.245) 3.262 21.043 ( -1.344 -2.327 -0.309) 2.705 21.979 ( 3.951 6.844 3.076) 8.480 22.199 ( 3.575 6.191 -8.445) 11.065 22.535 ( 7.327 12.691 0.756) 14.674 22.554 ( 6.780 11.743 -0.073) 13.560 24.247 ( 20.644 35.757 2.351) 41.355 24.463 ( 13.186 22.838 -7.607) 27.447 24.835 ( 2.806 4.861 8.241) 9.971 25.419 ( -7.215 -12.497 -15.237) 20.985 26.756 ( -7.121 -12.335 21.818) 26.055 27.296 ( -10.839 -18.774 -8.118) 23.148 30.266 ( 7.424 12.858 -0.103) 14.848 30.270 ( 7.359 12.746 -0.232) 14.719 31.572 ( 8.178 14.164 12.747) 20.736 32.145 ( 2.917 5.052 -15.625) 16.679 ======================= Grid point 392 (57/84) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 5.216 8.737 15.067) 18.182 3.109 ( 7.970 9.139 8.680) 14.912 3.333 ( 2.258 6.564 -2.619) 7.419 3.489 ( 6.415 5.129 -2.531) 8.594 4.146 ( 1.166 1.795 8.033) 8.314 4.485 ( -4.224 -3.761 1.360) 5.818 4.535 ( -1.418 -4.690 5.398) 7.290 4.842 ( -1.322 -2.377 30.839) 30.958 5.191 ( -10.402 -17.807 -46.016) 50.426 6.282 ( 9.096 10.509 -28.091) 31.341 6.852 ( 13.603 16.581 18.798) 28.519 7.023 ( 25.510 26.284 -1.380) 36.654 7.909 ( 10.490 13.610 4.701) 17.814 8.490 ( 5.597 8.327 0.663) 10.055 9.512 ( -0.561 -1.464 -1.926) 2.483 9.683 ( 16.330 23.316 -3.960) 28.740 10.294 ( 2.403 1.229 18.313) 18.511 10.915 ( 5.775 6.561 -9.031) 12.568 11.275 ( 21.270 30.739 0.201) 37.381 11.550 ( 7.120 11.294 -8.268) 15.704 13.191 ( -24.637 -27.135 8.280) 37.575 13.512 ( -21.670 -27.072 -7.309) 35.439 13.750 ( -19.523 -38.021 9.021) 43.682 14.182 ( -12.743 -24.252 -12.612) 30.160 15.165 ( 4.342 8.600 10.945) 14.581 15.625 ( 11.404 15.974 -13.163) 23.632 16.903 ( -11.827 -5.792 7.975) 15.396 17.122 ( -7.599 -2.625 -1.387) 8.159 18.563 ( -21.745 -2.249 24.836) 33.087 19.493 ( -28.739 -4.862 -19.820) 35.248 20.331 ( 5.051 -23.650 4.176) 24.542 20.491 ( 15.308 -26.921 -3.977) 31.223 20.998 ( 0.496 -4.099 -0.036) 4.129 21.014 ( 0.656 -3.500 -0.440) 3.588 22.084 ( 0.904 7.390 2.950) 8.008 22.278 ( -0.187 6.551 -6.884) 9.504 22.717 ( 2.269 8.552 0.815) 8.886 22.744 ( 4.380 6.574 0.149) 7.901 24.598 ( -0.209 -1.523 11.062) 11.168 24.864 ( 14.606 24.980 0.299) 28.938 25.178 ( 5.493 11.614 -9.886) 16.211 25.229 ( 5.493 3.622 -9.844) 11.840 26.572 ( -3.610 -7.280 15.230) 17.262 26.970 ( -8.809 -13.944 -6.508) 17.731 30.524 ( 6.901 14.585 -0.299) 16.138 30.526 ( 7.038 14.261 -0.277) 15.905 31.792 ( 6.461 5.822 9.767) 13.078 32.194 ( 1.237 -1.414 -9.907) 10.083 ======================= Grid point 393 (58/84) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 4.340 9.218 6.100) 11.875 3.321 ( 7.533 7.450 3.849) 11.272 3.419 ( 1.737 5.807 -0.998) 6.142 3.630 ( 5.663 2.566 -2.132) 6.573 4.098 ( -6.652 -2.914 -2.059) 7.548 4.407 ( -0.914 -2.359 2.872) 3.828 4.476 ( -0.507 -3.933 4.002) 5.634 4.767 ( -2.652 -8.990 7.995) 12.320 4.887 ( -5.755 -11.434 -18.463) 22.466 6.418 ( 1.821 3.017 -38.507) 38.668 7.269 ( 14.627 15.352 33.511) 39.656 7.713 ( 27.936 19.734 -0.254) 34.204 8.210 ( 9.851 9.012 4.132) 13.976 8.541 ( 1.304 -2.766 10.548) 10.982 9.334 ( -7.407 -13.828 1.475) 15.756 9.828 ( -3.105 -7.359 -11.509) 14.009 10.313 ( 2.495 -3.307 14.415) 14.999 11.018 ( 3.368 2.091 -20.815) 21.189 11.807 ( 4.939 7.159 1.975) 8.918 11.858 ( 7.147 10.705 -0.729) 12.892 12.637 ( -14.986 -15.611 10.314) 23.972 13.016 ( -11.960 -17.029 -8.272) 22.393 13.424 ( 8.306 2.790 13.746) 16.301 14.045 ( 7.033 8.134 -17.811) 20.805 15.310 ( 0.566 12.701 15.880) 20.342 15.953 ( 5.046 17.871 -17.747) 25.687 16.675 ( -10.786 0.649 6.124) 12.421 16.932 ( -13.552 0.847 -5.858) 14.788 18.126 ( -24.886 -0.570 24.514) 34.937 18.873 ( -36.794 -6.038 -13.399) 39.621 20.254 ( 17.617 -33.387 6.105) 38.241 20.521 ( 21.400 -32.118 -6.609) 39.156 20.965 ( 0.009 -3.802 0.159) 3.805 20.988 ( -0.416 -2.401 -0.631) 2.517 22.163 ( -0.253 7.723 2.810) 8.223 22.338 ( -0.094 6.294 -5.819) 8.573 22.791 ( -1.123 5.557 0.912) 5.743 22.828 ( 0.454 3.158 0.264) 3.201 24.572 ( -0.321 -1.593 9.815) 9.948 24.978 ( -1.807 -7.254 -9.795) 12.322 25.360 ( 5.221 20.740 4.378) 21.830 25.611 ( 10.128 15.987 -9.281) 21.078 26.491 ( 0.520 -4.658 9.354) 10.463 26.740 ( -4.386 -10.437 -4.241) 12.090 30.757 ( 3.491 14.577 -0.312) 14.992 30.762 ( 3.285 15.464 -0.516) 15.817 31.906 ( 4.724 -1.000 7.043) 8.539 32.174 ( 1.194 -6.000 -6.033) 8.592 ======================= Grid point 394 (59/84) ======================= q-point: ( 0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( -0.294 7.158 2.188) 7.490 3.427 ( -1.590 5.614 -2.937) 6.533 3.596 ( 10.800 6.919 0.904) 12.858 3.718 ( 2.913 0.280 -1.402) 3.245 3.889 ( -12.066 -5.247 -5.830) 14.391 4.403 ( 2.209 -1.487 2.051) 3.361 4.437 ( -0.440 -3.048 3.208) 4.447 4.613 ( 2.565 -15.160 -38.176) 41.156 4.794 ( -1.027 -1.339 32.304) 32.348 6.448 ( -0.393 1.758 -41.097) 41.137 7.568 ( 4.604 9.949 38.504) 40.034 8.204 ( 5.051 8.386 0.120) 9.791 8.375 ( 14.002 0.040 17.058) 22.068 8.577 ( 3.966 -7.697 11.778) 14.618 9.148 ( 4.265 -10.494 -8.084) 13.916 9.553 ( -9.296 -16.987 -14.875) 24.418 10.408 ( 8.110 -0.216 12.406) 14.823 11.026 ( -1.114 -4.507 -16.471) 17.113 11.735 ( -1.720 -6.055 1.194) 6.407 11.919 ( -1.377 -1.053 -5.764) 6.019 12.356 ( -4.038 -8.933 11.804) 15.344 12.770 ( -1.842 -9.768 -8.764) 13.252 13.863 ( 14.204 20.219 12.542) 27.711 14.338 ( 4.018 12.347 -11.122) 17.097 15.495 ( 0.822 27.316 10.325) 29.214 15.992 ( -20.930 15.831 -14.202) 29.839 16.515 ( -13.373 6.026 6.120) 15.894 16.823 ( -1.672 7.555 -9.049) 11.906 17.888 ( -2.538 6.692 14.416) 16.095 18.228 ( -29.421 -6.107 -3.459) 30.247 20.246 ( 21.940 -37.915 7.132) 44.382 20.564 ( 22.832 -36.651 -7.871) 43.893 20.932 ( -0.711 -1.076 0.566) 1.408 20.962 ( -1.028 0.092 -0.801) 1.307 22.217 ( -2.154 7.004 2.866) 7.868 22.387 ( -1.143 5.130 -5.529) 7.628 22.806 ( -2.600 4.793 1.283) 5.601 22.840 ( -0.689 1.058 0.034) 1.263 24.560 ( -0.052 -0.475 8.507) 8.520 24.901 ( 1.696 -7.233 -8.013) 10.927 25.550 ( -4.117 16.472 5.597) 17.878 25.832 ( 0.663 10.385 -9.076) 13.808 26.481 ( 2.515 -3.888 5.686) 7.333 26.624 ( 1.238 -8.087 -2.249) 8.485 30.901 ( -2.842 12.955 -0.254) 13.266 30.910 ( -3.400 14.299 -0.761) 14.718 31.945 ( 3.891 -5.209 5.433) 8.473 32.138 ( 3.260 -8.181 -4.023) 9.682 ======================= Grid point 405 (60/84) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( 6.071 10.516 6.161) 13.617 3.281 ( 4.950 8.573 5.183) 11.174 3.449 ( 3.030 5.247 -2.652) 6.614 3.584 ( 2.686 4.652 -2.596) 5.966 4.142 ( -1.459 -2.526 -0.388) 2.943 4.419 ( -1.734 -3.004 -0.618) 3.523 4.445 ( -2.414 -4.181 5.736) 7.497 4.739 ( -6.736 -11.667 -2.596) 13.720 4.881 ( -5.552 -9.616 -6.791) 13.015 6.415 ( 2.344 4.060 -36.905) 37.201 7.214 ( 11.342 19.645 30.590) 38.084 7.560 ( 16.236 28.122 0.346) 32.474 8.169 ( 7.204 12.478 2.690) 14.657 8.525 ( -1.982 -3.432 10.370) 11.101 9.329 ( -8.529 -14.773 2.893) 17.302 9.814 ( -3.241 -5.614 -9.268) 11.310 10.277 ( -1.809 -3.133 13.642) 14.114 10.998 ( 2.153 3.729 -21.411) 21.840 11.800 ( 5.635 9.760 2.040) 11.453 11.850 ( 7.619 13.197 -0.816) 15.260 12.696 ( -13.359 -23.138 9.293) 28.288 13.035 ( -12.039 -20.852 -7.343) 25.172 13.361 ( 3.418 5.920 14.584) 16.106 14.024 ( 5.355 9.276 -19.155) 21.946 15.369 ( 7.053 12.217 15.711) 21.114 15.987 ( 12.073 20.911 -17.316) 29.713 16.777 ( -3.847 -6.664 7.804) 10.960 17.047 ( -2.898 -5.020 -4.818) 7.537 18.442 ( -6.593 -11.420 24.695) 27.996 19.305 ( -10.286 -17.816 -18.616) 27.745 19.927 ( -11.909 -20.627 0.795) 23.831 19.940 ( -11.955 -20.707 0.745) 23.922 20.953 ( -0.784 -1.357 0.604) 1.680 20.983 ( -0.358 -0.621 -0.837) 1.102 22.208 ( 3.353 5.807 2.693) 7.226 22.373 ( 2.328 4.032 -5.630) 7.306 22.819 ( 1.229 2.129 1.634) 2.951 22.840 ( 1.793 3.106 0.317) 3.601 24.567 ( -0.572 -0.990 9.249) 9.319 24.958 ( -4.269 -7.394 -9.768) 12.973 25.428 ( 12.128 21.007 2.506) 24.386 25.598 ( 10.475 18.144 -7.524) 22.261 26.460 ( -2.447 -4.238 9.787) 10.942 26.725 ( -6.463 -11.194 -4.586) 13.715 30.805 ( 8.200 14.203 -0.159) 16.401 30.816 ( 8.612 14.917 -0.763) 17.241 31.856 ( 0.515 0.892 7.174) 7.248 32.129 ( -2.886 -5.000 -6.189) 8.464 ======================= Grid point 406 (61/84) ======================= q-point: ( 0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 1.902 11.477 -0.690) 11.654 3.452 ( 7.433 5.621 1.047) 9.378 3.536 ( 1.459 6.475 -3.116) 7.332 3.665 ( 3.491 0.890 -1.411) 3.869 4.029 ( -8.705 -3.984 -8.088) 12.532 4.351 ( -0.759 -7.447 -2.556) 7.910 4.394 ( 0.808 -3.862 -0.001) 3.945 4.484 ( -4.110 -11.620 -30.826) 33.198 4.794 ( -1.248 -2.362 35.874) 35.973 6.463 ( 0.540 1.654 -39.673) 39.711 7.567 ( 9.346 15.193 36.777) 40.875 8.064 ( 16.837 15.190 3.749) 22.985 8.337 ( -1.295 3.323 6.266) 7.210 8.437 ( 3.056 -6.015 13.419) 15.019 9.043 ( -5.400 -14.107 -2.833) 15.369 9.546 ( -10.995 -19.456 -14.698) 26.748 10.303 ( 5.684 3.748 15.381) 16.821 11.009 ( -2.578 -5.386 -17.157) 18.166 11.713 ( -3.804 -7.846 0.869) 8.763 11.932 ( -1.879 -2.407 -7.022) 7.657 12.347 ( -7.076 -12.490 10.880) 18.012 12.728 ( -5.544 -11.653 -8.019) 15.194 13.827 ( 18.002 29.015 13.253) 36.627 14.366 ( 9.513 17.519 -14.398) 24.591 15.677 ( 9.401 26.419 15.571) 32.074 16.353 ( 1.083 21.897 -19.333) 29.231 16.683 ( -2.421 0.087 5.141) 5.683 16.940 ( -5.626 0.001 -6.335) 8.473 18.154 ( -18.164 4.187 21.229) 28.251 18.776 ( -36.245 -4.325 -11.661) 38.319 19.561 ( 8.187 -35.685 6.270) 37.145 19.792 ( 20.499 -40.845 -5.134) 45.988 20.934 ( -0.415 -0.580 0.874) 1.129 20.977 ( -0.363 0.233 -1.162) 1.240 22.309 ( 0.617 7.504 2.211) 7.847 22.444 ( 0.788 4.908 -4.664) 6.816 22.829 ( 0.099 -1.126 2.143) 2.422 22.859 ( -0.714 -0.004 0.437) 0.837 24.564 ( 0.094 0.792 6.249) 6.299 24.827 ( -1.857 -7.442 -6.479) 10.040 25.748 ( 2.169 18.169 2.307) 18.443 25.886 ( 6.213 11.958 -5.218) 14.450 26.408 ( 0.784 -3.834 5.007) 6.355 26.544 ( -2.749 -9.788 -2.388) 10.444 31.048 ( 2.980 15.014 0.002) 15.307 31.075 ( 3.171 16.237 -1.382) 16.601 31.839 ( 1.010 -5.667 5.212) 7.766 32.018 ( -0.913 -9.883 -3.594) 10.556 ======================= Grid point 407 (62/84) ======================= q-point: ( 0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( -4.850 8.401 -1.332) 9.792 3.536 ( -2.786 4.825 -2.279) 6.020 3.672 ( 0.965 -1.672 2.682) 3.305 3.706 ( 0.665 -1.151 -5.614) 5.769 3.844 ( -1.917 3.320 -12.643) 13.212 4.291 ( 8.127 -14.077 -22.902) 28.084 4.382 ( 0.617 -1.069 1.177) 1.705 4.411 ( 1.217 -2.107 -13.637) 13.852 4.772 ( 0.591 -1.024 40.826) 40.843 6.474 ( -0.535 0.926 -40.317) 40.331 7.746 ( -4.677 8.101 37.919) 39.056 8.240 ( 3.805 -6.590 29.264) 30.237 8.393 ( -1.387 2.402 -0.408) 2.804 8.421 ( 2.741 -4.748 3.728) 6.630 8.974 ( 4.093 -7.089 -10.366) 13.208 9.268 ( 6.085 -10.540 -14.175) 18.683 10.426 ( -1.176 2.037 11.801) 12.033 10.889 ( 4.776 -8.272 -5.298) 10.923 11.673 ( 0.123 -0.213 -6.853) 6.858 11.870 ( 1.860 -3.222 -10.808) 11.431 12.226 ( 2.483 -4.301 11.638) 12.654 12.626 ( 2.852 -4.940 -8.244) 10.026 14.191 ( -6.947 12.032 10.481) 17.403 14.498 ( -2.550 4.417 -4.420) 6.749 16.059 ( -13.519 23.416 3.813) 27.306 16.352 ( -12.035 20.844 -10.151) 26.122 16.637 ( -3.293 5.704 6.093) 8.973 16.928 ( -1.566 2.713 -7.901) 8.499 18.159 ( -8.993 15.577 4.462) 18.532 18.227 ( -8.204 14.210 1.872) 16.515 19.467 ( 23.083 -39.981 7.736) 46.810 19.772 ( 24.964 -43.238 -6.700) 50.375 20.927 ( -0.021 0.036 0.974) 0.974 20.975 ( -0.414 0.717 -1.294) 1.536 22.355 ( -3.984 6.901 1.963) 8.207 22.478 ( -2.211 3.829 -4.350) 6.203 22.822 ( 1.198 -2.075 2.219) 3.265 22.846 ( 0.251 -0.435 0.642) 0.815 24.572 ( -0.950 1.646 4.725) 5.093 24.772 ( 3.317 -5.746 -4.868) 8.229 25.850 ( -7.985 13.831 2.926) 16.237 26.007 ( -4.079 7.065 -5.198) 9.673 26.400 ( 2.433 -4.214 2.750) 5.589 26.464 ( 4.596 -7.960 -0.861) 9.232 31.155 ( -7.184 12.443 0.090) 14.368 31.191 ( -7.827 13.557 -1.799) 15.757 31.813 ( 4.421 -7.657 4.432) 9.891 31.951 ( 5.994 -10.383 -2.479) 12.242 ======================= Grid point 420 (63/84) ======================= q-point: ( 0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( 4.124 7.143 -3.589) 8.995 3.534 ( 2.324 4.025 -0.100) 4.649 3.652 ( -1.273 -2.205 1.170) 2.802 3.679 ( 4.382 7.590 -5.494) 10.344 3.952 ( -2.419 -4.190 -15.963) 16.680 4.082 ( -6.876 -11.909 -27.614) 30.848 4.374 ( 0.113 0.195 -2.069) 2.082 4.395 ( -0.963 -1.667 -6.274) 6.563 4.761 ( -0.574 -0.995 43.975) 43.990 6.483 ( 0.279 0.484 -39.887) 39.891 7.845 ( 7.326 12.689 37.602) 40.356 8.129 ( -4.983 -8.630 31.866) 33.388 8.356 ( 1.467 2.541 3.440) 4.521 8.446 ( 1.583 2.741 -2.884) 4.282 8.899 ( 1.196 2.071 -10.611) 10.877 9.167 ( -10.055 -17.415 -13.538) 24.242 10.459 ( 6.485 11.232 11.557) 17.372 10.788 ( -8.345 -14.454 0.380) 16.695 11.684 ( 2.221 3.848 -10.764) 11.645 11.829 ( -3.773 -6.534 -12.849) 14.900 12.185 ( -2.396 -4.149 11.506) 12.464 12.578 ( -2.224 -3.852 -8.046) 9.194 14.309 ( 10.367 17.956 8.954) 22.585 14.535 ( -0.327 -0.566 -1.929) 2.037 16.271 ( 16.886 29.248 4.609) 34.086 16.635 ( 0.330 0.572 -13.612) 13.628 16.682 ( 0.434 0.752 6.311) 6.370 16.947 ( 0.621 1.075 -6.658) 6.773 18.352 ( 10.483 18.156 11.317) 23.825 18.675 ( -4.313 -7.470 -6.133) 10.584 19.013 ( -14.395 -24.933 1.611) 28.836 19.035 ( -14.027 -24.296 1.168) 28.079 20.928 ( -0.071 -0.123 1.106) 1.115 20.982 ( 0.116 0.201 -1.508) 1.526 22.442 ( 3.166 5.483 0.772) 6.378 22.511 ( 0.677 1.173 -2.912) 3.212 22.797 ( -0.522 -0.905 2.528) 2.735 22.828 ( -1.395 -2.417 0.658) 2.867 24.601 ( 1.622 2.809 2.252) 3.948 24.703 ( -2.918 -5.054 -2.652) 6.411 26.036 ( 5.689 9.854 0.131) 11.379 26.060 ( 3.516 6.090 -1.253) 7.142 26.347 ( -1.225 -2.122 0.905) 2.611 26.366 ( -4.522 -7.833 -0.216) 9.047 31.310 ( 6.084 10.538 -0.112) 12.168 31.351 ( 5.806 10.056 -2.486) 11.875 31.716 ( -2.928 -5.072 3.915) 7.044 31.812 ( -5.777 -10.005 -1.149) 11.610 ======================= Grid point 543 (64/84) ======================= 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 0.000 0.000 -25.794) 25.794 1.795 ( 0.000 -0.000 -25.794) 25.794 1.795 ( 0.000 -0.000 25.794) 25.794 1.795 ( 0.000 0.000 25.794) 25.794 4.180 ( 0.000 0.000 -5.019) 5.019 4.180 ( 0.000 -0.000 -5.019) 5.019 4.180 ( 0.000 -0.000 5.019) 5.019 4.180 ( 0.000 0.000 5.019) 5.019 4.380 ( 0.000 -0.000 -51.411) 51.411 4.380 ( 0.000 0.000 51.411) 51.411 6.201 ( 0.000 0.000 -48.432) 48.432 6.201 ( 0.000 -0.000 -48.432) 48.432 6.201 ( 0.000 0.000 48.432) 48.432 6.201 ( 0.000 0.000 48.432) 48.432 8.106 ( 0.000 0.000 -11.324) 11.324 8.106 ( 0.000 0.000 11.324) 11.324 10.995 ( 0.000 0.000 -20.642) 20.642 10.995 ( 0.000 0.000 -20.642) 20.642 10.995 ( 0.000 0.000 20.642) 20.642 10.995 ( 0.000 0.000 20.642) 20.642 14.420 ( 0.000 0.000 -10.114) 10.114 14.420 ( 0.000 0.000 10.114) 10.114 16.611 ( 0.000 0.000 -0.408) 0.408 16.611 ( 0.000 -0.000 0.408) 0.408 17.716 ( 0.000 -0.000 -1.246) 1.246 17.716 ( 0.000 0.000 -1.246) 1.246 17.716 ( 0.000 0.000 1.246) 1.246 17.716 ( 0.000 0.000 1.246) 1.246 19.367 ( 0.000 -0.000 -42.839) 42.839 19.367 ( 0.000 0.000 42.839) 42.839 21.154 ( 0.000 -0.000 -0.064) 0.064 21.154 ( 0.000 0.000 -0.064) 0.064 21.154 ( 0.000 -0.000 0.064) 0.064 21.154 ( 0.000 0.000 0.064) 0.064 21.467 ( 0.000 -0.000 -0.386) 0.386 21.467 ( 0.000 -0.000 0.386) 0.386 21.629 ( 0.000 -0.000 -1.148) 1.148 21.629 ( 0.000 0.000 -1.148) 1.148 21.629 ( -0.000 0.000 1.148) 1.148 21.629 ( 0.000 0.000 1.148) 1.148 25.689 ( 0.000 0.000 -27.420) 27.420 25.689 ( 0.000 0.000 27.420) 27.420 29.416 ( 0.000 0.000 -9.925) 9.925 29.416 ( 0.000 0.000 9.925) 9.925 29.726 ( 0.000 0.000 -0.056) 0.056 29.726 ( 0.000 0.000 -0.056) 0.056 29.726 ( -0.000 0.000 0.056) 0.056 29.726 ( 0.000 0.000 0.056) 0.056 ======================= Grid point 545 (65/84) ======================= 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 20.403 11.780 -19.402) 30.520 2.059 ( 20.403 11.780 19.402) 30.520 2.304 ( 32.698 18.878 -15.111) 40.668 2.304 ( 32.698 18.878 15.111) 40.668 4.254 ( 5.580 3.221 -20.474) 21.464 4.254 ( 5.580 3.221 20.474) 21.464 4.340 ( 11.404 6.584 -19.111) 23.208 4.340 ( 11.404 6.584 19.111) 23.208 4.606 ( 24.561 14.180 -9.549) 29.925 4.606 ( 24.561 14.180 9.549) 29.925 6.105 ( -7.964 -4.598 -41.676) 42.678 6.105 ( -7.964 -4.598 41.676) 42.678 6.245 ( 4.816 2.781 -43.745) 44.097 6.245 ( 4.816 2.781 43.745) 44.097 8.063 ( -1.917 -1.107 -19.547) 19.672 8.063 ( -1.917 -1.107 19.547) 19.672 10.964 ( -2.741 -1.582 -19.827) 20.078 10.964 ( -2.741 -1.582 19.827) 20.078 11.029 ( 2.208 1.275 -22.034) 22.181 11.029 ( 2.208 1.275 22.034) 22.181 14.464 ( 3.806 2.197 -10.456) 11.342 14.464 ( 3.806 2.197 10.456) 11.342 16.289 ( -26.452 -15.272 -3.073) 30.699 16.289 ( -26.452 -15.272 3.073) 30.699 17.316 ( -32.512 -18.771 -1.634) 37.578 17.316 ( -32.512 -18.771 1.634) 37.578 17.662 ( -5.229 -3.019 -2.468) 6.523 17.662 ( -5.229 -3.019 2.468) 6.523 19.434 ( 3.851 2.223 -38.938) 39.191 19.434 ( 3.851 2.223 38.938) 39.191 21.051 ( -7.171 -4.140 -0.906) 8.329 21.051 ( -7.171 -4.140 0.906) 8.329 21.172 ( 2.073 1.197 -0.756) 2.510 21.172 ( 2.073 1.197 0.756) 2.510 21.467 ( 5.724 3.305 -0.527) 6.630 21.467 ( 5.724 3.305 0.527) 6.630 21.755 ( 11.562 6.676 -0.727) 13.371 21.755 ( 11.562 6.676 0.727) 13.371 22.165 ( 35.181 20.312 -3.101) 40.742 22.165 ( 35.181 20.312 3.101) 40.742 25.613 ( -6.483 -3.743 -26.682) 27.712 25.613 ( -6.483 -3.743 26.682) 27.712 28.590 ( -39.273 -22.674 -9.212) 46.275 28.590 ( -39.273 -22.674 9.212) 46.275 29.774 ( 4.217 2.435 -0.075) 4.870 29.774 ( 4.217 2.435 0.075) 4.870 30.540 ( 38.154 22.028 -17.927) 47.564 30.540 ( 38.154 22.028 17.927) 47.564 ======================= Grid point 547 (66/84) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 19.538 11.280 -11.320) 25.241 2.537 ( 19.538 11.280 11.320) 25.241 2.875 ( 17.543 10.129 -7.978) 21.772 2.875 ( 17.543 10.129 7.978) 21.772 4.365 ( 3.901 2.252 -35.330) 35.616 4.365 ( 3.901 2.252 35.330) 35.616 4.690 ( 19.207 11.089 -4.756) 22.682 4.690 ( 19.207 11.089 4.756) 22.682 5.273 ( 19.989 11.541 -3.875) 23.404 5.273 ( 19.989 11.541 3.875) 23.404 5.964 ( 1.028 0.593 -17.705) 17.745 5.964 ( 1.028 0.593 17.705) 17.745 6.564 ( 30.331 17.511 -26.613) 43.987 6.564 ( 30.331 17.511 26.613) 43.987 8.114 ( 7.982 4.608 -31.098) 32.435 8.114 ( 7.982 4.608 31.098) 32.435 10.882 ( -4.357 -2.515 -19.643) 20.277 10.882 ( -4.357 -2.515 19.643) 20.277 11.060 ( 0.259 0.150 -24.623) 24.625 11.060 ( 0.259 0.150 24.623) 24.625 14.566 ( 3.804 2.196 -12.087) 12.860 14.566 ( 3.804 2.196 12.087) 12.860 15.548 ( -36.831 -21.264 -3.171) 42.646 15.548 ( -36.831 -21.264 3.171) 42.646 16.435 ( -43.106 -24.887 -2.478) 49.836 16.435 ( -43.106 -24.887 2.478) 49.836 17.485 ( -10.235 -5.909 -2.081) 12.000 17.485 ( -10.235 -5.909 2.081) 12.000 19.437 ( -4.810 -2.777 -34.160) 34.608 19.437 ( -4.810 -2.777 34.160) 34.608 20.929 ( -3.619 -2.089 -1.743) 4.528 20.929 ( -3.619 -2.089 1.743) 4.528 21.260 ( 6.094 3.518 -2.243) 7.385 21.260 ( 6.094 3.518 2.243) 7.385 21.587 ( 4.165 2.405 -1.081) 4.929 21.587 ( 4.165 2.405 1.081) 4.929 22.089 ( 16.053 9.268 -1.919) 18.635 22.089 ( 16.053 9.268 1.919) 18.635 23.043 ( 41.258 23.820 -6.973) 48.148 23.043 ( 41.258 23.820 6.973) 48.148 25.423 ( -9.797 -5.656 -24.294) 26.799 25.423 ( -9.797 -5.656 24.294) 26.799 27.828 ( -28.721 -16.582 -16.078) 36.856 27.828 ( -28.721 -16.582 16.078) 36.856 29.909 ( 7.716 4.455 -0.151) 8.911 29.909 ( 7.716 4.455 0.151) 8.911 31.263 ( 26.325 15.199 -21.912) 37.472 31.263 ( 26.325 15.199 21.912) 37.472 ======================= Grid point 549 (67/84) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 11.467 6.620 -6.930) 14.945 2.881 ( 11.467 6.620 6.930) 14.945 3.165 ( 10.011 5.780 -9.113) 14.719 3.165 ( 10.011 5.780 9.113) 14.719 4.420 ( 0.762 0.440 -25.321) 25.336 4.420 ( 0.762 0.440 25.321) 25.336 4.952 ( -2.230 -1.288 -19.190) 19.362 4.952 ( -2.230 -1.288 19.190) 19.362 5.440 ( 7.171 4.140 -19.795) 21.458 5.440 ( 7.171 4.140 19.795) 21.458 6.227 ( 21.146 12.209 -6.730) 25.328 6.227 ( 21.146 12.209 6.730) 25.328 7.511 ( 40.768 23.537 -4.090) 47.252 7.511 ( 40.768 23.537 4.090) 47.252 8.511 ( 30.847 17.809 -26.189) 44.210 8.511 ( 30.847 17.809 26.189) 44.210 10.780 ( -4.417 -2.550 -19.789) 20.435 10.780 ( -4.417 -2.550 19.789) 20.435 11.053 ( 0.140 0.081 -24.207) 24.208 11.053 ( 0.140 0.081 24.207) 24.208 14.344 ( -31.596 -18.242 -10.895) 38.076 14.344 ( -31.596 -18.242 10.895) 38.076 14.952 ( -11.256 -6.499 -6.643) 14.596 14.952 ( -11.256 -6.499 6.643) 14.596 15.523 ( -33.247 -19.195 -3.391) 38.540 15.523 ( -33.247 -19.195 3.391) 38.540 17.217 ( -13.523 -7.808 -2.977) 15.897 17.217 ( -13.523 -7.808 2.977) 15.897 19.215 ( -14.503 -8.374 -30.615) 34.896 19.215 ( -14.503 -8.374 30.615) 34.896 20.874 ( -1.582 -0.913 -2.241) 2.891 20.874 ( -1.582 -0.913 2.241) 2.891 21.424 ( 7.044 4.067 -4.404) 9.249 21.424 ( 7.044 4.067 4.404) 9.249 21.662 ( 3.584 2.069 -2.884) 5.045 21.662 ( 3.584 2.069 2.884) 5.045 22.402 ( 11.244 6.492 -2.610) 13.243 22.402 ( 11.244 6.492 2.610) 13.243 23.931 ( 36.925 21.318 -8.745) 43.524 23.931 ( 36.925 21.318 8.745) 43.524 25.207 ( -8.921 -5.151 -20.319) 22.782 25.207 ( -8.921 -5.151 20.319) 22.782 27.296 ( -19.316 -11.152 -15.479) 27.149 27.296 ( -19.316 -11.152 15.479) 27.149 30.108 ( 9.792 5.653 -0.286) 11.310 30.108 ( 9.792 5.653 0.286) 11.310 31.729 ( 15.888 9.173 -18.362) 25.956 31.729 ( 15.888 9.173 18.362) 25.956 ======================= Grid point 551 (68/84) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 6.264 3.617 -8.341) 11.041 3.073 ( 6.264 3.617 8.341) 11.041 3.363 ( 8.142 4.701 -11.052) 14.510 3.363 ( 8.142 4.701 11.052) 14.510 4.382 ( -4.702 -2.715 -18.512) 19.292 4.382 ( -4.702 -2.715 18.512) 19.292 4.775 ( -8.410 -4.856 -15.975) 18.695 4.775 ( -8.410 -4.856 15.975) 18.695 5.559 ( 2.045 1.181 -40.748) 40.816 5.559 ( 2.045 1.181 40.748) 40.816 6.880 ( 34.113 19.695 -2.950) 39.500 6.880 ( 34.113 19.695 2.950) 39.500 8.115 ( 17.406 10.049 -21.669) 29.555 8.115 ( 17.406 10.049 21.669) 29.555 9.347 ( 31.625 18.259 -2.464) 36.600 9.347 ( 31.625 18.259 2.464) 36.600 10.705 ( -1.703 -0.983 -18.945) 19.046 10.705 ( -1.703 -0.983 18.945) 19.046 11.175 ( 14.672 8.471 -15.235) 22.785 11.175 ( 14.672 8.471 15.235) 22.785 13.533 ( -34.469 -19.900 -9.396) 40.895 13.533 ( -34.469 -19.900 9.396) 40.895 14.419 ( -32.358 -18.682 -8.832) 38.393 14.419 ( -32.358 -18.682 8.832) 38.393 15.302 ( 5.136 2.965 -10.389) 11.963 15.302 ( 5.136 2.965 10.389) 11.963 16.891 ( -15.328 -8.850 -6.500) 18.855 16.891 ( -15.328 -8.850 6.500) 18.855 18.821 ( -20.003 -11.549 -26.519) 35.167 18.821 ( -20.003 -11.549 26.519) 35.167 20.858 ( 0.171 0.099 -2.087) 2.097 20.858 ( 0.171 0.099 2.087) 2.097 21.490 ( -1.176 -0.679 -5.435) 5.602 21.490 ( -1.176 -0.679 5.435) 5.602 21.806 ( 8.955 5.170 -4.700) 11.358 21.806 ( 8.955 5.170 4.700) 11.358 22.584 ( 5.130 2.962 -2.740) 6.527 22.584 ( 5.130 2.962 2.740) 6.527 24.641 ( 24.930 14.393 -7.225) 29.679 24.641 ( 24.930 14.393 7.224) 29.679 25.053 ( -3.617 -2.088 -13.838) 14.454 25.053 ( -3.617 -2.088 13.838) 14.454 26.950 ( -11.809 -6.818 -11.852) 18.067 26.950 ( -11.809 -6.818 11.852) 18.067 30.331 ( 9.821 5.670 -0.441) 11.349 30.331 ( 9.821 5.670 0.441) 11.349 31.997 ( 8.568 4.947 -13.081) 16.401 31.997 ( 8.568 4.947 13.081) 16.401 ======================= Grid point 553 (69/84) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 3.375 1.949 -8.692) 9.525 3.178 ( 3.375 1.949 8.692) 9.525 3.536 ( 7.396 4.270 -10.431) 13.481 3.536 ( 7.396 4.270 10.431) 13.481 4.215 ( -9.156 -5.286 -18.927) 21.680 4.215 ( -9.156 -5.286 18.927) 21.680 4.652 ( -2.991 -1.727 -6.045) 6.962 4.652 ( -2.991 -1.727 6.045) 6.962 5.565 ( -0.769 -0.444 -45.319) 45.328 5.565 ( -0.769 -0.444 45.319) 45.328 7.599 ( 27.161 15.682 -11.237) 33.316 7.599 ( 27.161 15.682 11.237) 33.316 8.442 ( 13.952 8.055 -17.653) 23.900 8.442 ( 13.952 8.055 17.653) 23.900 9.630 ( -3.047 -1.759 -13.900) 14.338 9.630 ( -3.047 -1.759 13.900) 14.338 10.710 ( 1.946 1.124 -17.096) 17.243 10.710 ( 1.946 1.124 17.096) 17.243 11.683 ( 21.468 12.394 -2.115) 24.879 11.683 ( 21.468 12.394 2.115) 24.879 12.936 ( -17.363 -10.025 -12.513) 23.634 12.936 ( -17.363 -10.025 12.513) 23.634 13.856 ( -12.626 -7.290 -12.552) 19.238 13.856 ( -12.626 -7.290 12.552) 19.238 15.398 ( 0.104 0.060 -15.800) 15.801 15.398 ( 0.104 0.060 15.800) 15.801 16.569 ( -11.971 -6.911 -6.293) 15.188 16.569 ( -11.971 -6.911 6.293) 15.188 18.364 ( -19.558 -11.292 -19.597) 29.901 18.364 ( -19.558 -11.292 19.597) 29.901 20.879 ( 1.616 0.933 -1.338) 2.296 20.879 ( 1.616 0.933 1.338) 2.296 21.423 ( -3.931 -2.270 -6.308) 7.772 21.423 ( -3.931 -2.270 6.308) 7.772 22.007 ( 8.173 4.719 -5.128) 10.741 22.007 ( 8.173 4.719 5.128) 10.741 22.645 ( 0.777 0.449 -3.169) 3.293 22.645 ( 0.777 0.449 3.169) 3.293 24.868 ( -0.936 -0.540 -12.680) 12.726 24.868 ( -0.936 -0.540 12.680) 12.726 25.206 ( 13.323 7.692 -9.498) 18.080 25.206 ( 13.323 7.692 9.498) 18.080 26.761 ( -5.354 -3.091 -7.765) 9.926 26.761 ( -5.354 -3.091 7.765) 9.926 30.529 ( 7.420 4.284 -0.553) 8.586 30.529 ( 7.420 4.284 0.553) 8.586 32.131 ( 3.826 2.209 -8.825) 9.869 32.131 ( 3.826 2.209 8.825) 9.869 ======================= Grid point 555 (70/84) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( 1.117 0.645 -7.375) 7.487 3.228 ( 1.117 0.645 7.375) 7.487 3.685 ( 5.056 2.919 -4.707) 7.499 3.685 ( 5.056 2.919 4.707) 7.499 4.028 ( -6.191 -3.574 -24.418) 25.443 4.028 ( -6.191 -3.574 24.418) 25.443 4.615 ( -0.701 -0.405 -3.509) 3.601 4.615 ( -0.701 -0.405 3.509) 3.601 5.547 ( -0.527 -0.304 -46.740) 46.744 5.547 ( -0.527 -0.304 46.740) 46.744 7.987 ( 7.462 4.308 -16.098) 18.259 7.987 ( 7.462 4.308 16.098) 18.259 8.787 ( 14.675 8.473 -11.854) 20.680 8.787 ( 14.675 8.473 11.854) 20.680 9.426 ( -11.016 -6.360 -15.533) 20.077 9.426 ( -11.016 -6.360 15.533) 20.077 10.773 ( 2.566 1.481 -14.840) 15.133 10.773 ( 2.566 1.481 14.840) 15.133 11.858 ( -1.259 -0.727 -2.522) 2.911 11.858 ( -1.259 -0.727 2.522) 2.911 12.704 ( -5.460 -3.153 -13.250) 14.674 12.704 ( -5.460 -3.153 13.250) 14.674 13.960 ( 14.199 8.198 -12.270) 20.478 13.960 ( 14.199 8.198 12.270) 20.478 15.248 ( -10.369 -5.986 -12.520) 17.323 15.248 ( -10.369 -5.987 12.520) 17.323 16.416 ( -2.124 -1.226 -11.583) 11.839 16.416 ( -2.124 -1.226 11.583) 11.839 18.024 ( -8.925 -5.153 -7.886) 12.977 18.024 ( -8.925 -5.153 7.886) 12.977 20.916 ( 1.183 0.683 -0.155) 1.375 20.916 ( 1.183 0.683 0.155) 1.375 21.347 ( -2.163 -1.249 -7.978) 8.360 21.347 ( -2.163 -1.249 7.978) 8.360 22.143 ( 3.470 2.004 -5.803) 7.052 22.143 ( 3.470 2.004 5.803) 7.052 22.641 ( -0.519 -0.299 -3.968) 4.013 22.641 ( -0.519 -0.299 3.968) 4.013 24.840 ( -0.786 -0.454 -12.916) 12.948 24.840 ( -0.786 -0.454 12.916) 12.948 25.411 ( 4.503 2.600 -11.936) 13.019 25.411 ( 4.503 2.600 11.936) 13.019 26.694 ( -1.149 -0.663 -5.186) 5.353 26.694 ( -1.149 -0.663 5.186) 5.353 30.646 ( 2.795 1.614 -0.596) 3.282 30.646 ( 2.795 1.614 0.596) 3.282 32.182 ( 1.010 0.583 -6.541) 6.644 32.182 ( 1.010 0.583 6.541) 6.644 ======================= Grid point 571 (71/84) ======================= 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 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 12.275 21.261 -13.621) 28.076 2.412 ( 12.275 21.261 13.621) 28.076 2.757 ( 12.284 21.276 -8.565) 26.018 2.757 ( 12.284 21.276 8.565) 26.018 4.336 ( 2.554 4.424 -35.977) 36.338 4.336 ( 2.554 4.424 35.977) 36.338 4.577 ( 10.127 17.540 -5.737) 21.051 4.577 ( 10.127 17.540 5.737) 21.051 5.120 ( 17.533 30.368 -1.918) 35.118 5.120 ( 17.533 30.368 1.918) 35.118 5.976 ( -2.849 -4.935 -27.785) 28.364 5.976 ( -2.849 -4.935 27.785) 28.364 6.420 ( 11.558 20.019 -33.944) 41.068 6.420 ( 11.558 20.019 33.944) 41.068 8.078 ( 2.664 4.614 -28.717) 29.207 8.078 ( 2.664 4.614 28.717) 29.207 10.902 ( -2.611 -4.522 -19.611) 20.294 10.902 ( -2.611 -4.522 19.611) 20.294 11.061 ( 0.753 1.304 -24.262) 24.309 11.061 ( 0.753 1.304 24.262) 24.309 14.540 ( 2.831 4.903 -11.408) 12.736 14.540 ( 2.831 4.903 11.408) 12.736 15.782 ( -19.763 -34.231 -3.577) 39.688 15.782 ( -19.763 -34.231 3.577) 39.688 16.647 ( -26.510 -45.916 -2.187) 53.065 16.647 ( -26.510 -45.916 2.187) 53.065 17.571 ( -4.001 -6.930 -3.022) 8.553 17.571 ( -4.001 -6.930 3.022) 8.553 19.486 ( 0.748 1.296 -35.166) 35.197 19.486 ( 0.748 1.296 35.166) 35.197 20.933 ( -4.386 -7.597 -1.062) 8.837 20.933 ( -4.386 -7.597 1.062) 8.837 21.130 ( -1.016 -1.760 -0.002) 2.033 21.130 ( -1.016 -1.760 0.002) 2.033 21.681 ( 7.151 12.385 -3.614) 14.751 21.681 ( 7.151 12.385 3.614) 14.751 21.962 ( 8.833 15.299 -1.061) 17.697 21.962 ( 8.833 15.299 1.061) 17.697 22.797 ( 23.615 40.902 -5.879) 47.595 22.797 ( 23.615 40.902 5.879) 47.595 25.480 ( -5.434 -9.412 -25.099) 27.351 25.480 ( -5.434 -9.412 25.099) 27.351 28.007 ( -18.352 -31.786 -15.212) 39.731 28.007 ( -18.352 -31.786 15.212) 39.731 29.869 ( 4.200 7.274 -0.101) 8.400 29.869 ( 4.200 7.274 0.101) 8.400 31.094 ( 16.958 29.371 -21.882) 40.362 31.094 ( 16.958 29.371 21.882) 40.362 ======================= Grid point 573 (72/84) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 10.547 13.059 0.000) 16.786 2.790 ( 11.340 13.014 -0.000) 17.261 3.066 ( 8.628 9.040 -0.000) 12.497 3.073 ( 9.068 9.033 0.000) 12.799 4.400 ( 1.770 1.942 -0.000) 2.628 4.409 ( 1.786 1.223 0.000) 2.165 4.919 ( 8.137 9.264 -0.000) 12.330 4.925 ( 6.904 7.410 0.000) 10.128 5.368 ( 2.103 0.419 0.000) 2.144 5.380 ( 3.946 1.560 -0.000) 4.243 6.080 ( 10.411 11.470 0.000) 15.491 6.081 ( 10.437 11.345 -0.000) 15.415 7.173 ( 34.501 42.533 -0.000) 54.766 7.183 ( 35.207 42.479 0.000) 55.172 8.315 ( 15.438 18.786 0.000) 24.316 8.318 ( 15.676 18.821 -0.000) 24.495 10.800 ( -3.347 -5.291 0.000) 6.261 10.803 ( -3.093 -5.285 -0.000) 6.124 11.064 ( -0.847 0.279 -0.000) 0.892 11.067 ( -0.612 0.286 0.000) 0.676 14.536 ( -10.184 -11.196 -0.000) 15.135 14.536 ( -9.999 -11.029 0.000) 14.886 15.131 ( -18.905 -14.586 -0.000) 23.878 15.132 ( -19.426 -15.176 0.000) 24.651 15.699 ( -27.967 -46.327 -0.000) 54.115 15.705 ( -28.113 -47.040 0.000) 54.801 17.380 ( -11.167 -5.099 -0.000) 12.276 17.394 ( -10.318 -5.327 0.000) 11.612 19.408 ( -11.360 -0.733 0.000) 11.383 19.417 ( -10.598 -0.565 -0.000) 10.613 20.813 ( 1.434 -10.473 -0.000) 10.570 20.819 ( 1.848 -10.452 0.000) 10.614 21.128 ( 6.184 -8.209 -0.000) 10.277 21.134 ( 6.764 -7.964 0.000) 10.449 21.852 ( -1.512 15.411 -0.000) 15.485 21.856 ( -1.461 15.235 0.000) 15.305 22.294 ( 12.226 12.594 -0.000) 17.552 22.295 ( 11.904 12.196 0.000) 17.043 23.630 ( 29.536 34.810 -0.000) 45.652 23.636 ( 30.173 35.065 0.000) 46.259 25.276 ( -7.470 -8.948 -0.000) 11.657 25.278 ( -7.168 -8.806 0.000) 11.355 27.454 ( -16.885 -20.156 0.000) 26.294 27.455 ( -16.837 -20.149 -0.000) 26.257 30.046 ( 6.854 9.554 0.000) 11.758 30.047 ( 6.925 9.558 -0.000) 11.803 31.583 ( 14.568 15.994 0.001) 21.634 31.583 ( 14.602 15.996 -0.001) 21.658 ======================= Grid point 575 (73/84) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 6.190 7.569 0.000) 9.778 3.036 ( 6.154 8.209 -0.000) 10.260 3.265 ( 7.944 4.825 -0.000) 9.295 3.278 ( 7.883 5.301 0.000) 9.500 4.405 ( -2.259 -2.152 0.000) 3.120 4.421 ( -0.734 -0.396 -0.000) 0.834 4.820 ( -8.728 -10.812 -0.000) 13.896 4.860 ( -7.283 -8.798 0.000) 11.421 5.503 ( 5.539 3.878 0.000) 6.761 5.540 ( 5.309 4.255 -0.000) 6.804 6.546 ( 26.718 20.520 0.000) 33.689 6.550 ( 27.029 20.676 -0.000) 34.030 7.943 ( 18.373 19.182 -0.000) 26.561 7.956 ( 18.149 18.981 0.000) 26.262 9.044 ( 32.432 34.297 -0.000) 47.203 9.046 ( 33.018 34.933 0.000) 48.067 10.706 ( -1.789 -4.196 0.000) 4.561 10.711 ( -1.861 -4.227 -0.000) 4.619 11.095 ( 4.579 5.917 -0.000) 7.482 11.101 ( 4.699 6.092 0.000) 7.694 13.881 ( -32.773 -27.104 -0.000) 42.529 13.887 ( -32.788 -26.847 0.000) 42.377 14.632 ( -26.449 -32.894 0.000) 42.209 14.670 ( -26.648 -32.464 -0.000) 42.000 15.215 ( 5.144 -0.766 -0.000) 5.201 15.249 ( 5.510 -0.051 0.000) 5.510 17.110 ( -15.797 -3.422 -0.000) 16.164 17.128 ( -16.063 -3.381 0.000) 16.415 19.097 ( -22.250 -3.643 0.000) 22.546 19.122 ( -21.943 -2.716 -0.000) 22.110 20.777 ( 6.030 -10.625 0.000) 12.217 20.786 ( 5.940 -10.530 -0.000) 12.090 21.163 ( 10.873 -15.387 -0.000) 18.841 21.179 ( 10.893 -14.913 0.000) 18.467 21.957 ( -3.012 14.513 -0.000) 14.823 21.960 ( -2.611 14.998 0.000) 15.224 22.550 ( 5.869 9.059 -0.000) 10.794 22.563 ( 6.475 9.806 0.000) 11.751 24.391 ( 24.534 25.205 -0.000) 35.174 24.422 ( 26.116 27.234 0.000) 37.733 25.082 ( -5.834 -6.796 0.000) 8.957 25.103 ( -4.400 -5.032 -0.000) 6.685 27.053 ( -11.873 -13.086 0.000) 17.670 27.055 ( -11.841 -13.031 -0.000) 17.607 30.270 ( 7.579 11.036 0.000) 13.388 30.272 ( 7.597 11.084 -0.000) 13.437 31.895 ( 9.661 7.221 0.001) 12.062 31.896 ( 9.669 7.246 -0.001) 12.083 ======================= Grid point 577 (74/84) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 3.246 4.909 0.000) 5.885 3.172 ( 2.558 5.713 -0.000) 6.260 3.439 ( 8.132 3.461 -0.000) 8.837 3.452 ( 7.627 4.029 0.000) 8.626 4.280 ( -7.222 -6.394 0.000) 9.646 4.332 ( -8.157 -4.155 -0.000) 9.154 4.615 ( -1.936 -8.779 -0.000) 8.990 4.686 ( -3.504 -6.382 0.000) 7.281 5.565 ( 0.247 1.023 0.000) 1.053 5.595 ( -0.641 1.442 -0.000) 1.578 7.261 ( 31.392 19.740 -0.000) 37.083 7.274 ( 31.740 20.309 0.000) 37.682 8.300 ( 11.254 8.669 -0.000) 14.206 8.309 ( 11.313 8.918 0.000) 14.405 9.606 ( 6.050 5.562 0.000) 8.219 9.624 ( 6.084 6.299 -0.000) 8.758 10.672 ( 1.371 -2.219 0.000) 2.609 10.676 ( 1.408 -2.009 -0.000) 2.453 11.470 ( 21.612 21.725 -0.000) 30.644 11.482 ( 21.663 22.269 0.000) 31.067 13.154 ( -24.311 -18.202 -0.000) 30.370 13.162 ( -24.402 -17.763 0.000) 30.182 13.941 ( -16.526 -25.194 -0.000) 30.131 13.981 ( -16.777 -24.046 0.000) 29.320 15.371 ( 4.775 6.868 -0.000) 8.365 15.426 ( 5.506 8.913 0.000) 10.477 16.803 ( -17.470 -0.757 -0.000) 17.486 16.805 ( -18.901 -1.335 0.000) 18.948 18.634 ( -25.201 -7.174 0.000) 26.203 18.667 ( -25.927 -5.959 -0.000) 26.603 20.800 ( 7.485 -8.121 0.000) 11.045 20.808 ( 7.193 -7.893 -0.000) 10.679 21.169 ( 9.996 -20.300 -0.000) 22.627 21.184 ( 9.286 -19.550 0.000) 21.643 22.051 ( -0.742 11.707 -0.000) 11.730 22.067 ( -0.313 12.190 0.000) 12.194 22.674 ( 0.235 6.828 -0.000) 6.832 22.701 ( 0.265 7.654 0.000) 7.659 24.800 ( 4.989 1.441 0.000) 5.192 24.885 ( 1.176 -0.439 -0.000) 1.256 25.078 ( 12.483 14.966 -0.000) 19.489 25.151 ( 8.905 12.857 0.000) 15.640 26.800 ( -6.118 -8.348 0.000) 10.350 26.802 ( -6.147 -8.257 -0.000) 10.293 30.496 ( 5.913 11.279 0.000) 12.735 30.498 ( 5.860 11.333 -0.000) 12.758 32.062 ( 5.814 1.451 0.000) 5.992 32.063 ( 5.787 1.481 -0.000) 5.973 ======================= Grid point 579 (75/84) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 1.192 3.518 0.000) 3.714 3.241 ( 0.263 3.852 -0.000) 3.860 3.604 ( 7.635 2.932 -0.000) 8.179 3.611 ( 6.970 3.088 0.000) 7.623 4.084 ( -7.177 -6.863 0.000) 9.930 4.118 ( -9.144 -6.319 -0.000) 11.115 4.563 ( 2.189 -5.057 -0.000) 5.511 4.606 ( -0.459 -4.650 0.000) 4.672 5.564 ( -1.062 1.206 0.000) 1.607 5.581 ( -2.028 1.272 -0.000) 2.394 7.854 ( 17.697 11.728 0.000) 21.231 7.876 ( 17.098 12.516 -0.000) 21.189 8.567 ( 15.608 4.509 -0.000) 16.247 8.584 ( 15.234 5.292 0.000) 16.127 9.506 ( -8.977 -10.760 0.000) 14.013 9.520 ( -9.735 -10.745 -0.000) 14.499 10.708 ( 4.458 -0.990 -0.000) 4.566 10.715 ( 4.274 -0.728 0.000) 4.335 11.850 ( 2.987 3.015 0.000) 4.244 11.862 ( 2.391 3.129 -0.000) 3.938 12.759 ( -8.973 -9.104 -0.000) 12.783 12.770 ( -9.328 -8.838 0.000) 12.850 13.796 ( 11.991 6.828 0.000) 13.799 13.841 ( 10.884 7.819 0.000) 13.401 15.414 ( -8.445 6.200 -0.000) 10.476 15.494 ( -10.170 8.436 0.000) 13.213 16.532 ( -11.902 2.938 -0.000) 12.259 16.559 ( -11.885 3.971 0.000) 12.531 18.180 ( -18.174 -7.055 0.000) 19.496 18.203 ( -19.603 -6.504 -0.000) 20.654 20.865 ( 7.264 -4.658 0.000) 8.629 20.870 ( 6.859 -4.154 -0.000) 8.019 21.110 ( 8.602 -23.022 -0.000) 24.576 21.120 ( 7.739 -22.182 0.000) 23.493 22.150 ( 0.868 7.639 -0.000) 7.688 22.170 ( 0.435 7.556 0.000) 7.568 22.710 ( -2.816 6.407 -0.000) 6.999 22.736 ( -3.742 6.521 0.000) 7.518 24.802 ( 1.111 -3.917 0.000) 4.071 24.830 ( -0.618 -4.339 -0.000) 4.383 25.401 ( 5.663 13.094 -0.000) 14.266 25.422 ( 4.331 12.648 0.000) 13.369 26.680 ( -0.836 -5.106 0.000) 5.174 26.682 ( -0.946 -5.056 -0.000) 5.144 30.668 ( 1.744 9.973 0.000) 10.124 30.669 ( 1.661 9.991 -0.000) 10.128 32.134 ( 3.526 -2.111 -0.001) 4.109 32.134 ( 3.483 -2.099 0.001) 4.067 ======================= Grid point 581 (76/84) ======================= q-point: ( 0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -1.372 2.348 -7.569) 8.043 3.258 ( -1.347 2.363 7.569) 8.043 3.708 ( 0.493 -0.855 -0.532) 1.122 3.708 ( 0.494 -0.854 0.532) 1.122 3.973 ( 0.995 -1.778 -25.831) 25.911 3.973 ( 1.043 -1.751 25.831) 25.911 4.569 ( 1.980 -4.035 -2.430) 5.109 4.569 ( 2.504 -3.732 2.430) 5.109 5.564 ( -1.068 1.844 -46.919) 46.967 5.564 ( -1.063 1.847 46.919) 46.967 8.054 ( -1.579 2.680 -15.652) 15.958 8.054 ( -1.531 2.708 15.652) 15.958 8.827 ( 3.219 -5.670 -7.404) 9.866 8.827 ( 3.301 -5.623 7.404) 9.866 9.293 ( 3.300 -5.724 -13.063) 14.639 9.293 ( 3.307 -5.719 13.063) 14.639 10.758 ( 1.568 -2.724 -14.588) 14.923 10.758 ( 1.575 -2.720 14.588) 14.923 11.833 ( 0.884 -1.566 -4.110) 4.486 11.833 ( 0.914 -1.548 4.110) 4.486 12.636 ( 2.095 -3.640 -12.735) 13.410 12.636 ( 2.105 -3.634 12.735) 13.410 14.088 ( -2.313 3.545 -10.820) 11.619 14.088 ( -1.914 3.776 10.820) 11.619 15.336 ( -9.668 15.010 -8.219) 19.655 15.336 ( -8.165 15.878 8.219) 19.655 16.478 ( -4.111 6.959 -12.423) 14.820 16.478 ( -3.971 7.040 12.423) 14.820 17.982 ( -0.762 1.133 -2.549) 2.891 17.982 ( -0.600 1.226 2.549) 2.891 20.923 ( 0.402 -0.810 -0.739) 1.168 20.923 ( 0.501 -0.753 0.739) 1.168 21.054 ( 14.584 -25.282 -8.436) 30.382 21.054 ( 14.603 -25.271 8.436) 30.381 22.206 ( -2.229 3.762 -5.566) 7.078 22.206 ( -2.143 3.812 5.566) 7.078 22.723 ( -4.033 6.704 -3.049) 8.397 22.723 ( -3.790 6.845 3.049) 8.397 24.798 ( 1.915 -3.365 -11.897) 12.511 24.798 ( 1.956 -3.341 11.897) 12.511 25.514 ( -4.364 7.533 -10.836) 13.900 25.514 ( -4.342 7.546 10.836) 13.900 26.653 ( 2.001 -3.467 -4.451) 5.986 26.653 ( 2.002 -3.467 4.451) 5.986 30.733 ( -4.103 7.102 -0.344) 8.209 30.733 ( -4.099 7.104 0.344) 8.209 32.151 ( 2.150 -3.725 -5.949) 7.341 32.151 ( 2.150 -3.725 5.949) 7.341 ======================= Grid point 601 (77/84) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 5.963 10.328 -1.597) 12.032 3.013 ( 5.963 10.328 1.597) 12.032 3.223 ( 4.146 7.182 -8.282) 11.720 3.223 ( 4.146 7.182 8.282) 11.720 4.417 ( -0.358 -0.621 -22.119) 22.130 4.417 ( -0.358 -0.621 22.119) 22.130 4.859 ( -6.810 -11.795 -21.354) 25.327 4.859 ( -6.810 -11.795 21.354) 25.327 5.486 ( 4.626 8.012 -31.589) 32.916 5.486 ( 4.626 8.012 31.589) 32.916 6.420 ( 14.217 24.625 -5.850) 29.030 6.420 ( 14.217 24.625 5.850) 29.030 7.888 ( 14.899 25.805 -16.604) 34.111 7.888 ( 14.899 25.805 16.604) 34.111 8.939 ( 24.644 42.685 -13.067) 50.991 8.939 ( 24.644 42.685 13.067) 50.991 10.700 ( -2.668 -4.620 -18.943) 19.679 10.700 ( -2.668 -4.620 18.943) 19.679 11.094 ( 2.671 4.627 -22.755) 23.373 11.094 ( 2.671 4.627 22.755) 23.373 14.042 ( -19.970 -34.588 -9.296) 41.007 14.042 ( -19.970 -34.588 9.296) 41.007 14.715 ( -26.070 -45.155 -5.486) 52.428 14.715 ( -26.070 -45.155 5.486) 52.428 15.165 ( 3.927 6.802 -7.047) 10.552 15.165 ( 3.927 6.802 7.047) 10.552 17.252 ( -5.203 -9.012 -3.319) 10.922 17.252 ( -5.203 -9.012 3.319) 10.922 19.347 ( -4.645 -8.045 -29.591) 31.015 19.347 ( -4.645 -8.045 29.591) 31.015 20.571 ( -7.012 -12.145 -0.694) 14.041 20.571 ( -7.012 -12.145 0.694) 14.041 21.038 ( -1.443 -2.499 -0.207) 2.893 21.038 ( -1.443 -2.499 0.207) 2.893 22.062 ( 3.966 6.870 -5.884) 9.877 22.062 ( 3.966 6.870 5.884) 9.877 22.548 ( 7.131 12.352 -0.548) 14.273 22.548 ( 7.131 12.352 0.548) 14.273 24.319 ( 19.682 34.090 -5.777) 39.786 24.319 ( 19.682 34.090 5.777) 39.786 25.107 ( -4.505 -7.802 -17.195) 19.412 25.107 ( -4.505 -7.802 17.195) 19.412 27.091 ( -9.748 -16.885 -14.142) 24.086 27.091 ( -9.748 -16.885 14.142) 24.086 30.266 ( 7.358 12.745 -0.111) 14.717 30.266 ( 7.358 12.745 0.111) 14.717 31.844 ( 6.120 10.601 -15.878) 20.049 31.844 ( 6.120 10.601 15.878) 20.049 ======================= Grid point 603 (78/84) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 2.485 8.002 0.000) 8.380 3.189 ( 3.958 7.461 -0.000) 8.446 3.352 ( 5.442 4.344 -0.000) 6.963 3.369 ( 6.437 4.138 0.000) 7.652 4.338 ( -6.253 -4.994 0.000) 8.002 4.380 ( -2.441 -5.211 -0.000) 5.754 4.596 ( -7.637 -10.155 -0.000) 12.706 4.651 ( -2.969 -11.301 0.000) 11.685 5.577 ( 0.748 3.252 0.000) 3.337 5.599 ( 2.119 1.906 -0.000) 2.850 7.003 ( 23.805 26.090 -0.000) 35.318 7.008 ( 24.396 26.025 0.000) 35.671 8.239 ( 8.169 11.751 -0.000) 14.312 8.243 ( 8.520 11.433 0.000) 14.258 9.570 ( 8.691 13.495 0.000) 16.052 9.580 ( 9.725 13.363 -0.000) 16.527 10.637 ( -0.491 -2.901 0.000) 2.942 10.639 ( -0.294 -3.005 -0.000) 3.019 11.381 ( 16.415 24.965 -0.000) 29.878 11.389 ( 17.098 24.808 0.000) 30.129 13.353 ( -23.381 -26.665 -0.000) 35.464 13.360 ( -22.884 -26.843 0.000) 35.274 13.936 ( -17.260 -31.338 0.000) 35.776 13.962 ( -15.378 -32.421 -0.000) 35.883 15.370 ( 6.656 12.981 -0.000) 14.588 15.398 ( 9.214 12.136 0.000) 15.237 17.039 ( -11.275 -4.591 -0.000) 12.174 17.048 ( -11.032 -5.356 0.000) 12.263 19.041 ( -24.275 -3.328 0.000) 24.502 19.069 ( -22.281 -3.945 -0.000) 22.627 20.410 ( 9.694 -25.394 -0.000) 27.182 20.413 ( 9.717 -24.733 0.000) 26.573 21.000 ( 0.105 -3.260 -0.000) 3.262 21.008 ( 0.775 -3.921 0.000) 3.997 22.158 ( 0.226 7.329 -0.000) 7.333 22.164 ( 0.906 7.183 0.000) 7.240 22.728 ( 2.536 8.198 0.000) 8.581 22.743 ( 3.861 7.637 -0.000) 8.558 24.774 ( 3.112 7.655 0.000) 8.264 24.828 ( 6.431 3.723 -0.000) 7.431 25.072 ( 7.197 16.081 0.000) 17.618 25.118 ( 9.962 12.553 0.000) 16.026 26.811 ( -6.963 -11.538 0.000) 13.476 26.813 ( -6.822 -11.585 -0.000) 13.444 30.521 ( 6.877 14.383 0.000) 15.943 30.523 ( 6.994 14.309 -0.000) 15.927 31.992 ( 4.120 2.631 0.000) 4.888 31.993 ( 4.181 2.597 -0.000) 4.921 ======================= Grid point 605 (79/84) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 0.578 6.364 0.000) 6.390 3.289 ( 0.225 6.261 -0.000) 6.265 3.497 ( 7.727 2.591 -0.000) 8.150 3.518 ( 7.234 2.752 0.000) 7.740 4.138 ( -8.179 -8.370 0.000) 11.702 4.193 ( -8.602 -10.180 -0.000) 13.327 4.481 ( 0.689 -4.598 0.000) 4.649 4.548 ( 0.185 -7.042 0.000) 7.045 5.597 ( -0.780 1.927 0.000) 2.078 5.619 ( -0.741 1.034 -0.000) 1.272 7.641 ( 23.513 19.441 -0.000) 30.510 7.661 ( 24.663 19.617 0.000) 31.514 8.426 ( 6.159 3.964 -0.000) 7.324 8.441 ( 7.191 4.318 0.000) 8.387 9.535 ( -7.858 -11.606 0.000) 14.016 9.553 ( -7.772 -12.304 -0.000) 14.553 10.631 ( 2.710 -1.381 -0.000) 3.042 10.639 ( 3.010 -1.318 0.000) 3.286 11.831 ( 5.966 9.146 0.000) 10.920 11.846 ( 6.164 8.747 -0.000) 10.701 12.830 ( -13.453 -16.018 -0.000) 20.918 12.843 ( -13.259 -16.254 0.000) 20.976 13.694 ( 7.455 5.930 0.000) 9.526 13.738 ( 8.576 5.042 -0.000) 9.948 15.585 ( 1.228 15.500 -0.000) 15.549 15.657 ( 4.269 15.164 0.000) 15.753 16.800 ( -14.267 0.108 -0.000) 14.267 16.812 ( -12.484 0.763 0.000) 12.507 18.532 ( -29.619 -3.493 0.000) 29.824 18.575 ( -29.698 -3.702 -0.000) 29.928 20.381 ( 19.703 -33.182 -0.000) 38.591 20.388 ( 19.197 -32.350 0.000) 37.617 20.969 ( -0.417 -2.500 -0.000) 2.534 20.979 ( -0.263 -3.118 0.000) 3.129 22.227 ( -0.335 7.448 -0.000) 7.456 22.242 ( 0.115 7.026 0.000) 7.027 22.802 ( -0.786 5.189 0.000) 5.248 22.828 ( -0.296 4.407 -0.000) 4.416 24.759 ( -0.830 -3.670 0.000) 3.763 24.792 ( -0.947 -5.700 -0.000) 5.778 25.451 ( 8.179 19.810 -0.000) 21.432 25.475 ( 8.011 18.190 0.000) 19.875 26.638 ( -2.353 -8.177 0.000) 8.509 26.641 ( -2.313 -8.198 -0.000) 8.518 30.754 ( 3.372 14.945 -0.000) 15.321 30.756 ( 3.379 14.890 0.000) 15.269 32.045 ( 3.070 -3.329 -0.000) 4.528 32.046 ( 3.074 -3.350 0.000) 4.547 ======================= Grid point 607 (80/84) ======================= q-point: ( 0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -1.013 5.285 0.000) 5.381 3.325 ( -2.179 4.799 -0.000) 5.271 3.647 ( 6.654 1.495 0.000) 6.820 3.654 ( 5.722 1.343 -0.000) 5.878 3.949 ( -3.836 -7.095 0.000) 8.066 3.971 ( -5.385 -8.477 -0.000) 10.042 4.474 ( 2.934 -3.839 -0.000) 4.832 4.499 ( 0.998 -5.501 0.000) 5.591 5.600 ( -0.923 2.124 0.000) 2.316 5.609 ( -1.591 1.501 -0.000) 2.187 8.066 ( 7.558 10.181 0.000) 12.680 8.090 ( 5.864 9.611 -0.000) 11.259 8.603 ( 14.535 -0.883 0.000) 14.562 8.628 ( 13.013 -0.999 -0.000) 13.051 9.232 ( -7.939 -16.178 -0.000) 18.021 9.235 ( -8.431 -16.942 0.000) 18.924 10.688 ( 3.805 -0.698 -0.000) 3.868 10.694 ( 3.386 -1.010 0.000) 3.534 11.804 ( -2.198 -5.879 0.000) 6.277 11.811 ( -2.676 -6.319 -0.000) 6.863 12.575 ( -2.577 -8.938 -0.000) 9.302 12.581 ( -3.005 -9.393 0.000) 9.862 14.092 ( 11.841 18.732 -0.000) 22.161 14.123 ( 10.230 16.836 0.000) 19.700 15.689 ( -9.251 22.157 -0.000) 24.011 15.758 ( -13.105 19.090 0.000) 23.155 16.642 ( -7.095 7.364 -0.000) 10.226 16.670 ( -8.476 6.398 0.000) 10.620 18.101 ( -15.310 -0.275 0.000) 15.313 18.122 ( -17.134 -0.999 -0.000) 17.163 20.399 ( 22.477 -37.218 -0.000) 43.479 20.403 ( 21.985 -36.989 0.000) 43.030 20.944 ( -0.747 -0.219 -0.000) 0.778 20.947 ( -0.952 -0.584 0.000) 1.117 22.284 ( -1.424 6.542 -0.000) 6.695 22.293 ( -1.967 5.902 0.000) 6.221 22.823 ( -1.457 3.888 0.000) 4.152 22.836 ( -2.352 2.956 -0.000) 3.777 24.727 ( 1.420 -3.587 0.000) 3.858 24.738 ( 0.634 -4.494 -0.000) 4.539 25.671 ( -1.439 13.968 -0.000) 14.042 25.679 ( -2.000 13.356 0.000) 13.505 26.568 ( 1.982 -6.337 0.000) 6.639 26.570 ( 1.835 -6.403 -0.000) 6.661 30.900 ( -3.049 13.532 -0.000) 13.872 30.901 ( -3.123 13.481 0.000) 13.838 32.048 ( 3.603 -6.597 -0.002) 7.517 32.049 ( 3.559 -6.621 0.002) 7.517 ======================= Grid point 629 (81/84) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( 3.579 6.199 -6.750) 9.838 3.315 ( 3.579 6.199 6.750) 9.838 3.443 ( 2.611 4.523 -7.750) 9.346 3.443 ( 2.611 4.523 7.750) 9.346 4.191 ( -6.588 -11.411 -13.816) 19.092 4.191 ( -6.588 -11.411 13.816) 19.092 4.481 ( -2.452 -4.247 -2.543) 5.524 4.481 ( -2.452 -4.247 2.543) 5.524 5.621 ( 0.594 1.029 -45.563) 45.579 5.621 ( 0.594 1.029 45.563) 45.579 7.529 ( 15.727 27.240 -5.587) 31.946 7.529 ( 15.727 27.240 5.587) 31.946 8.403 ( 2.997 5.191 -17.179) 18.195 8.403 ( 2.997 5.191 17.179) 18.195 9.551 ( -7.110 -12.314 -16.485) 21.770 9.551 ( -7.110 -12.314 16.485) 21.770 10.603 ( -0.067 -0.116 -20.022) 20.022 10.603 ( -0.067 -0.116 20.022) 20.022 11.830 ( 6.691 11.589 -1.268) 13.442 11.830 ( 6.691 11.589 1.268) 13.442 12.875 ( -12.585 -21.799 -9.460) 26.890 12.875 ( -12.585 -21.799 9.460) 26.890 13.671 ( 4.429 7.671 -18.176) 20.220 13.671 ( 4.429 7.671 18.176) 20.220 15.670 ( 9.513 16.476 -16.532) 25.205 15.670 ( 9.513 16.476 16.532) 25.205 16.926 ( -3.905 -6.763 -7.694) 10.963 16.926 ( -3.905 -6.763 7.694) 10.963 18.905 ( -8.010 -13.873 -23.745) 28.643 18.905 ( -8.010 -13.873 23.745) 28.643 19.940 ( -11.883 -20.582 -0.513) 23.772 19.940 ( -11.883 -20.582 0.513) 23.772 20.967 ( -0.574 -0.995 -0.872) 1.442 20.967 ( -0.574 -0.995 0.872) 1.442 22.276 ( 2.967 5.140 -4.495) 7.445 22.276 ( 2.967 5.140 4.495) 7.445 22.839 ( 1.620 2.806 -0.522) 3.282 22.839 ( 1.620 2.806 0.522) 3.282 24.760 ( -2.413 -4.179 -10.937) 11.954 24.760 ( -2.413 -4.179 10.937) 11.954 25.489 ( 11.671 20.215 -4.298) 23.735 25.489 ( 11.671 20.215 4.298) 23.735 26.617 ( -4.897 -8.481 -7.026) 12.053 26.617 ( -4.897 -8.481 7.026) 12.053 30.806 ( 8.345 14.455 -0.291) 16.693 30.806 ( 8.345 14.455 0.291) 16.693 31.998 ( -1.066 -1.847 -7.644) 7.936 31.998 ( -1.066 -1.847 7.644) 7.936 ======================= Grid point 631 (82/84) ======================= q-point: ( 0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( -0.989 7.418 0.000) 7.484 3.414 ( -0.860 6.652 -0.000) 6.707 3.540 ( 6.689 1.937 -0.000) 6.964 3.559 ( 6.668 1.468 0.000) 6.828 3.957 ( -6.810 -10.158 0.000) 12.229 3.972 ( -6.216 -11.769 -0.000) 13.310 4.421 ( -0.281 -2.056 -0.000) 2.075 4.439 ( 0.399 -3.950 0.000) 3.971 5.629 ( -0.435 1.322 -0.000) 1.391 5.636 ( -0.176 0.699 0.000) 0.721 8.011 ( 13.627 18.629 -0.000) 23.081 8.030 ( 15.398 18.265 0.000) 23.889 8.452 ( 2.158 -0.845 -0.000) 2.317 8.471 ( 4.165 -0.940 0.000) 4.269 9.221 ( -10.859 -19.092 -0.000) 21.964 9.223 ( -10.987 -19.672 0.000) 22.532 10.638 ( 2.651 2.057 -0.000) 3.355 10.642 ( 2.912 1.727 0.000) 3.386 11.794 ( -5.000 -8.811 0.000) 10.130 11.799 ( -4.785 -9.236 -0.000) 10.402 12.550 ( -6.244 -11.666 0.000) 13.232 12.554 ( -6.066 -12.056 0.000) 13.496 14.083 ( 14.648 25.769 -0.000) 29.642 14.100 ( 15.652 24.333 0.000) 28.932 15.973 ( 3.411 24.050 -0.000) 24.290 16.016 ( 6.495 21.589 0.000) 22.545 16.801 ( -5.785 0.112 -0.000) 5.786 16.816 ( -4.282 -0.309 0.000) 4.293 18.497 ( -27.138 -0.042 0.000) 27.138 18.524 ( -26.377 -1.396 -0.000) 26.414 19.676 ( 13.953 -37.525 -0.000) 40.035 19.688 ( 13.991 -37.802 0.000) 40.308 20.953 ( -0.431 -0.104 -0.000) 0.443 20.955 ( -0.349 -0.307 0.000) 0.465 22.362 ( 0.566 6.535 -0.000) 6.560 22.367 ( 0.866 6.086 0.000) 6.147 22.852 ( -0.539 0.093 -0.000) 0.547 22.861 ( -0.101 -0.676 0.000) 0.684 24.691 ( -0.931 -3.007 0.000) 3.148 24.698 ( -0.662 -3.746 -0.000) 3.804 25.801 ( 4.228 15.793 -0.000) 16.349 25.806 ( 4.442 15.291 0.000) 15.923 26.487 ( -1.192 -7.326 0.000) 7.422 26.489 ( -1.100 -7.430 -0.000) 7.511 31.054 ( 3.028 15.458 -0.000) 15.752 31.055 ( 3.064 15.394 0.000) 15.696 31.937 ( 0.087 -7.572 -0.001) 7.572 31.937 ( 0.111 -7.607 0.001) 7.608 ======================= Grid point 633 (83/84) ======================= q-point: ( 0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( -3.627 6.216 -9.702) 12.080 3.428 ( -3.570 6.249 9.702) 12.080 3.653 ( 0.964 -1.852 -2.561) 3.304 3.653 ( 1.122 -1.761 2.561) 3.304 3.817 ( 3.460 -6.019 -12.531) 14.325 3.817 ( 3.482 -6.006 12.531) 14.325 4.417 ( 1.058 -2.625 -0.324) 2.849 4.417 ( 1.745 -2.229 0.324) 2.849 5.634 ( -0.653 1.130 -47.712) 47.730 5.634 ( -0.652 1.131 47.712) 47.730 8.245 ( -4.350 7.236 -13.637) 16.038 8.245 ( -4.091 7.385 13.637) 16.038 8.538 ( 3.378 -6.874 -6.318) 9.929 8.538 ( 4.264 -6.363 6.318) 9.929 8.958 ( 5.716 -9.915 -15.506) 19.272 8.958 ( 5.729 -9.908 15.506) 19.272 10.685 ( -0.066 0.111 -14.571) 14.571 10.685 ( -0.063 0.113 14.571) 14.571 11.687 ( 3.028 -5.250 -7.182) 9.397 11.687 ( 3.033 -5.247 7.182) 9.397 12.443 ( 2.645 -4.584 -11.053) 12.255 12.443 ( 2.647 -4.583 11.053) 12.255 14.375 ( -5.167 8.859 -8.570) 13.365 14.375 ( -5.089 8.905 8.570) 13.365 16.173 ( -12.991 21.455 -8.069) 26.347 16.173 ( -12.085 21.978 8.069) 26.347 16.774 ( -2.678 4.364 -8.086) 9.570 16.774 ( -2.440 4.501 8.086) 9.570 18.224 ( -8.327 13.766 -1.991) 16.211 18.224 ( -7.758 14.094 1.991) 16.211 19.625 ( 23.629 -40.955 -8.621) 48.062 19.625 ( 23.653 -40.941 8.621) 48.062 20.949 ( -0.197 0.337 -1.322) 1.378 20.949 ( -0.193 0.339 1.322) 1.378 22.405 ( -3.145 5.424 -3.343) 7.105 22.405 ( -3.125 5.435 3.343) 7.105 22.848 ( 0.464 -1.074 -0.513) 1.278 22.848 ( 0.698 -0.939 0.513) 1.278 24.671 ( 1.256 -2.186 -5.597) 6.139 24.671 ( 1.265 -2.180 5.597) 6.139 25.918 ( -6.221 10.765 -4.241) 13.137 25.918 ( -6.212 10.770 4.241) 13.137 26.441 ( 3.718 -6.446 -1.658) 7.624 26.441 ( 3.723 -6.443 1.658) 7.624 31.164 ( -7.364 12.753 -0.943) 14.757 31.164 ( -7.363 12.754 0.943) 14.757 31.892 ( 5.087 -8.811 -3.831) 10.871 31.892 ( 5.087 -8.810 3.831) 10.871 ======================= Grid point 659 (84/84) ======================= q-point: ( 0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( 3.020 5.232 -7.309) 9.483 3.537 ( 3.020 5.232 7.309) 9.483 3.581 ( 1.649 2.857 -1.087) 3.473 3.581 ( 1.649 2.857 1.087) 3.473 3.762 ( -5.335 -9.240 -3.077) 11.104 3.762 ( -5.335 -9.240 3.077) 11.104 4.394 ( -0.516 -0.894 -0.383) 1.100 4.394 ( -0.516 -0.894 0.383) 1.100 5.646 ( 0.195 0.337 -47.973) 47.975 5.646 ( 0.195 0.337 47.973) 47.975 8.342 ( 7.143 12.371 -6.219) 15.580 8.342 ( 7.143 12.371 6.219) 15.580 8.434 ( -0.050 -0.086 -6.761) 6.761 8.434 ( -0.050 -0.086 6.761) 6.761 8.867 ( -8.618 -14.926 -15.043) 22.877 8.867 ( -8.618 -14.926 15.043) 22.877 10.688 ( 1.177 2.039 -10.906) 11.157 10.688 ( 1.177 2.039 10.906) 11.157 11.632 ( -3.189 -5.524 -5.789) 8.614 11.632 ( -3.189 -5.524 5.789) 8.614 12.399 ( -2.261 -3.917 -10.859) 11.763 12.399 ( -2.261 -3.917 10.859) 11.763 14.457 ( 5.908 10.234 -6.385) 13.431 14.457 ( 5.908 10.234 6.385) 13.431 16.408 ( 8.538 14.789 -10.048) 19.814 16.408 ( 8.538 14.789 10.048) 19.814 16.813 ( 0.458 0.793 -7.374) 7.431 16.813 ( 0.458 0.793 7.374) 7.431 18.539 ( 2.179 3.774 -8.566) 9.611 18.539 ( 2.179 3.774 8.566) 9.611 19.038 ( -13.948 -24.159 -0.802) 27.908 19.038 ( -13.948 -24.159 0.802) 27.908 20.953 ( 0.011 0.020 -1.516) 1.516 20.953 ( 0.011 0.020 1.516) 1.516 22.466 ( 1.989 3.445 -1.849) 4.387 22.466 ( 1.989 3.445 1.849) 4.387 22.828 ( -0.957 -1.658 -0.775) 2.065 22.828 ( -0.957 -1.658 0.775) 2.065 24.650 ( -0.665 -1.152 -2.861) 3.156 24.650 ( -0.665 -1.152 2.861) 3.156 26.042 ( 4.704 8.148 -0.612) 9.428 26.042 ( 4.704 8.148 0.612) 9.428 26.360 ( -2.980 -5.162 -0.486) 5.980 26.360 ( -2.980 -5.162 0.486) 5.980 31.318 ( 5.750 9.960 -1.056) 11.549 31.318 ( 5.750 9.960 1.056) 11.549 31.777 ( -4.166 -7.215 -2.607) 8.730 31.777 ( -4.166 -7.215 2.607) 8.730 =================== 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 3/48672 10.0 3826.493 3826.493 2727.980 -0.000 -0.000 -0.000 3/48672 20.0 796.994 796.994 583.299 -0.000 -0.000 -0.000 3/48672 30.0 180.197 180.197 158.814 -0.000 -0.000 -0.000 3/48672 40.0 77.350 77.350 77.305 -0.000 -0.000 -0.000 3/48672 50.0 45.013 45.013 49.054 -0.000 -0.000 -0.000 3/48672 60.0 30.854 30.854 35.609 -0.000 -0.000 -0.000 3/48672 70.0 23.401 23.401 28.020 -0.000 -0.000 -0.000 3/48672 80.0 19.011 19.011 23.240 -0.000 -0.000 -0.000 3/48672 90.0 16.238 16.238 19.989 -0.000 -0.000 -0.000 3/48672 100.0 14.407 14.407 17.648 -0.000 -0.000 -0.000 3/48672 110.0 13.163 13.163 15.885 -0.000 -0.000 -0.000 3/48672 120.0 12.297 12.297 14.508 -0.000 -0.000 -0.000 3/48672 130.0 11.679 11.679 13.402 -0.000 -0.000 -0.000 3/48672 140.0 11.225 11.225 12.489 -0.000 -0.000 -0.000 3/48672 150.0 10.877 10.877 11.720 -0.000 -0.000 -0.000 3/48672 160.0 10.598 10.598 11.060 -0.000 -0.000 -0.000 3/48672 170.0 10.365 10.365 10.484 -0.000 -0.000 -0.000 3/48672 180.0 10.159 10.159 9.975 -0.000 -0.000 -0.000 3/48672 190.0 9.971 9.971 9.521 -0.000 -0.000 -0.000 3/48672 200.0 9.793 9.793 9.112 -0.000 -0.000 -0.000 3/48672 210.0 9.622 9.622 8.740 -0.000 -0.000 -0.000 3/48672 220.0 9.455 9.455 8.400 -0.000 -0.000 -0.000 3/48672 230.0 9.290 9.290 8.088 -0.000 -0.000 -0.000 3/48672 240.0 9.127 9.127 7.799 -0.000 -0.000 -0.000 3/48672 250.0 8.966 8.966 7.532 -0.000 -0.000 -0.000 3/48672 260.0 8.806 8.806 7.283 -0.000 -0.000 -0.000 3/48672 270.0 8.648 8.648 7.050 -0.000 -0.000 -0.000 3/48672 280.0 8.492 8.492 6.832 -0.000 -0.000 -0.000 3/48672 290.0 8.338 8.338 6.628 -0.000 -0.000 -0.000 3/48672 300.0 8.187 8.187 6.436 -0.000 -0.000 -0.000 3/48672 310.0 8.038 8.038 6.254 -0.000 -0.000 -0.000 3/48672 320.0 7.892 7.892 6.083 -0.000 -0.000 -0.000 3/48672 330.0 7.748 7.748 5.921 -0.000 -0.000 -0.000 3/48672 340.0 7.608 7.608 5.767 -0.000 -0.000 -0.000 3/48672 350.0 7.471 7.471 5.621 -0.000 -0.000 -0.000 3/48672 360.0 7.337 7.337 5.482 -0.000 -0.000 -0.000 3/48672 370.0 7.207 7.207 5.350 -0.000 -0.000 -0.000 3/48672 380.0 7.079 7.079 5.225 -0.000 -0.000 -0.000 3/48672 390.0 6.955 6.955 5.105 -0.000 -0.000 -0.000 3/48672 400.0 6.834 6.834 4.990 -0.000 -0.000 -0.000 3/48672 410.0 6.716 6.716 4.880 -0.000 -0.000 -0.000 3/48672 420.0 6.601 6.601 4.775 -0.000 -0.000 -0.000 3/48672 430.0 6.489 6.489 4.674 -0.000 -0.000 -0.000 3/48672 440.0 6.380 6.380 4.578 -0.000 -0.000 -0.000 3/48672 450.0 6.274 6.274 4.485 -0.000 -0.000 -0.000 3/48672 460.0 6.171 6.171 4.396 -0.000 -0.000 -0.000 3/48672 470.0 6.070 6.070 4.310 -0.000 -0.000 -0.000 3/48672 480.0 5.973 5.973 4.228 -0.000 -0.000 -0.000 3/48672 490.0 5.877 5.877 4.149 -0.000 -0.000 -0.000 3/48672 500.0 5.785 5.785 4.072 -0.000 -0.000 -0.000 3/48672 510.0 5.695 5.695 3.998 -0.000 -0.000 -0.000 3/48672 520.0 5.607 5.607 3.927 -0.000 -0.000 -0.000 3/48672 530.0 5.522 5.522 3.858 -0.000 -0.000 -0.000 3/48672 540.0 5.438 5.438 3.792 -0.000 -0.000 -0.000 3/48672 550.0 5.357 5.357 3.728 -0.000 -0.000 -0.000 3/48672 560.0 5.279 5.279 3.666 -0.000 -0.000 -0.000 3/48672 570.0 5.202 5.202 3.606 -0.000 -0.000 -0.000 3/48672 580.0 5.127 5.127 3.548 -0.000 -0.000 -0.000 3/48672 590.0 5.054 5.054 3.491 -0.000 -0.000 -0.000 3/48672 600.0 4.983 4.983 3.437 -0.000 -0.000 -0.000 3/48672 610.0 4.914 4.914 3.384 -0.000 -0.000 -0.000 3/48672 620.0 4.846 4.846 3.332 -0.000 -0.000 -0.000 3/48672 630.0 4.780 4.780 3.282 -0.000 -0.000 -0.000 3/48672 640.0 4.716 4.716 3.234 -0.000 -0.000 -0.000 3/48672 650.0 4.653 4.653 3.187 -0.000 -0.000 -0.000 3/48672 660.0 4.592 4.592 3.141 -0.000 -0.000 -0.000 3/48672 670.0 4.532 4.532 3.097 -0.000 -0.000 -0.000 3/48672 680.0 4.474 4.474 3.054 -0.000 -0.000 -0.000 3/48672 690.0 4.417 4.417 3.012 -0.000 -0.000 -0.000 3/48672 700.0 4.361 4.361 2.971 -0.000 -0.000 -0.000 3/48672 710.0 4.307 4.307 2.931 -0.000 -0.000 -0.000 3/48672 720.0 4.254 4.254 2.892 -0.000 -0.000 -0.000 3/48672 730.0 4.202 4.202 2.854 -0.000 -0.000 -0.000 3/48672 740.0 4.151 4.151 2.817 -0.000 -0.000 -0.000 3/48672 750.0 4.102 4.102 2.781 -0.000 -0.000 -0.000 3/48672 760.0 4.053 4.053 2.746 -0.000 -0.000 -0.000 3/48672 770.0 4.006 4.006 2.712 -0.000 -0.000 -0.000 3/48672 780.0 3.960 3.960 2.679 -0.000 -0.000 -0.000 3/48672 790.0 3.914 3.914 2.646 -0.000 -0.000 -0.000 3/48672 800.0 3.870 3.870 2.615 -0.000 -0.000 -0.000 3/48672 810.0 3.827 3.827 2.584 -0.000 -0.000 -0.000 3/48672 820.0 3.784 3.784 2.553 -0.000 -0.000 -0.000 3/48672 830.0 3.742 3.742 2.524 -0.000 -0.000 -0.000 3/48672 840.0 3.702 3.702 2.495 -0.000 -0.000 -0.000 3/48672 850.0 3.662 3.662 2.466 -0.000 -0.000 -0.000 3/48672 860.0 3.623 3.623 2.439 -0.000 -0.000 -0.000 3/48672 870.0 3.584 3.584 2.412 -0.000 -0.000 -0.000 3/48672 880.0 3.547 3.547 2.385 -0.000 -0.000 -0.000 3/48672 890.0 3.510 3.510 2.359 -0.000 -0.000 -0.000 3/48672 900.0 3.474 3.474 2.334 -0.000 -0.000 -0.000 3/48672 910.0 3.439 3.439 2.309 -0.000 -0.000 -0.000 3/48672 920.0 3.404 3.404 2.285 -0.000 -0.000 -0.000 3/48672 930.0 3.370 3.370 2.261 -0.000 -0.000 -0.000 3/48672 940.0 3.337 3.337 2.238 -0.000 -0.000 -0.000 3/48672 950.0 3.304 3.304 2.215 -0.000 -0.000 -0.000 3/48672 960.0 3.272 3.272 2.192 -0.000 -0.000 -0.000 3/48672 970.0 3.240 3.240 2.170 -0.000 -0.000 -0.000 3/48672 980.0 3.209 3.209 2.149 -0.000 -0.000 -0.000 3/48672 990.0 3.179 3.179 2.128 -0.000 -0.000 -0.000 3/48672 1000.0 3.149 3.149 2.107 -0.000 -0.000 -0.000 3/48672 Thermal conductivity related properties were written into "kappa-m13136.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:34:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|