----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:43:33]------------------------- 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: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.446964330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.768150520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.382950009999999 Atomic positions (fractional): *1 Ho 0.50000000000000 0.72444929056371 0.98397986409203 164.930 2 Ho 0.00000000000000 0.27555070943629 0.48397986409203 164.930 *3 H 0.00000000000000 0.19654817410744 0.96539375059825 1.008 4 H 0.50000000000000 0.80345182589256 0.46539375059825 1.008 *5 O 0.00000000000000 0.01877682234356 0.85502396928200 15.999 *6 O 0.50000000000000 0.52262158241455 0.61837841602772 15.999 7 O 0.50000000000000 0.98122317765644 0.35502396928201 15.999 8 O 0.00000000000000 0.47737841758545 0.11837841602772 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.446964330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.768150520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.382950009999999 Atomic positions (fractional): *1 Ho 0.50000000000000 0.72444929056371 0.98397986409203 164.930 > 1 2 Ho 0.00000000000000 0.27555070943629 0.48397986409203 164.930 > 2 *3 H 0.00000000000000 0.19654817410744 0.96539375059825 1.008 > 3 4 H 0.50000000000000 0.80345182589256 0.46539375059825 1.008 > 4 *5 O 0.00000000000000 0.01877682234356 0.85502396928200 15.999 > 5 *6 O 0.50000000000000 0.52262158241455 0.61837841602772 15.999 > 6 7 O 0.50000000000000 0.98122317765644 0.35502396928201 15.999 > 7 8 O 0.00000000000000 0.47737841758545 0.11837841602772 15.999 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.340892990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.304451560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.765900019999998 Atomic positions (fractional): *1 Ho 0.16666666666667 0.24148309685457 0.49198993204602 164.930 > 1 2 Ho 0.50000000000000 0.24148309685457 0.49198993204602 164.930 > 1 3 Ho 0.83333333333333 0.24148309685457 0.49198993204602 164.930 > 1 4 Ho 0.16666666666667 0.57481643018790 0.49198993204602 164.930 > 1 5 Ho 0.50000000000000 0.57481643018790 0.49198993204602 164.930 > 1 6 Ho 0.83333333333333 0.57481643018790 0.49198993204602 164.930 > 1 7 Ho 0.16666666666667 0.90814976352124 0.49198993204602 164.930 > 1 8 Ho 0.50000000000000 0.90814976352124 0.49198993204602 164.930 > 1 9 Ho 0.83333333333333 0.90814976352124 0.49198993204602 164.930 > 1 10 Ho 0.16666666666667 0.24148309685457 0.99198993204602 164.930 > 1 11 Ho 0.50000000000000 0.24148309685457 0.99198993204602 164.930 > 1 12 Ho 0.83333333333333 0.24148309685457 0.99198993204602 164.930 > 1 13 Ho 0.16666666666667 0.57481643018790 0.99198993204602 164.930 > 1 14 Ho 0.50000000000000 0.57481643018790 0.99198993204602 164.930 > 1 15 Ho 0.83333333333333 0.57481643018790 0.99198993204602 164.930 > 1 16 Ho 0.16666666666667 0.90814976352124 0.99198993204602 164.930 > 1 17 Ho 0.50000000000000 0.90814976352124 0.99198993204602 164.930 > 1 18 Ho 0.83333333333333 0.90814976352124 0.99198993204602 164.930 > 1 19 Ho 0.00000000000000 0.09185023647876 0.24198993204602 164.930 > 2 20 Ho 0.33333333333333 0.09185023647876 0.24198993204602 164.930 > 2 21 Ho 0.66666666666667 0.09185023647876 0.24198993204602 164.930 > 2 22 Ho 0.00000000000000 0.42518356981210 0.24198993204602 164.930 > 2 23 Ho 0.33333333333333 0.42518356981210 0.24198993204602 164.930 > 2 24 Ho 0.66666666666667 0.42518356981210 0.24198993204602 164.930 > 2 25 Ho 0.00000000000000 0.75851690314543 0.24198993204602 164.930 > 2 26 Ho 0.33333333333333 0.75851690314543 0.24198993204602 164.930 > 2 27 Ho 0.66666666666667 0.75851690314543 0.24198993204602 164.930 > 2 28 Ho 0.00000000000000 0.09185023647876 0.74198993204602 164.930 > 2 29 Ho 0.33333333333333 0.09185023647876 0.74198993204602 164.930 > 2 30 Ho 0.66666666666667 0.09185023647876 0.74198993204602 164.930 > 2 31 Ho 0.00000000000000 0.42518356981210 0.74198993204602 164.930 > 2 32 Ho 0.33333333333333 0.42518356981210 0.74198993204602 164.930 > 2 33 Ho 0.66666666666667 0.42518356981210 0.74198993204602 164.930 > 2 34 Ho 0.00000000000000 0.75851690314543 0.74198993204602 164.930 > 2 35 Ho 0.33333333333333 0.75851690314543 0.74198993204602 164.930 > 2 36 Ho 0.66666666666667 0.75851690314543 0.74198993204602 164.930 > 2 *37 H 0.00000000000000 0.06551605803581 0.48269687529912 1.008 > 3 38 H 0.33333333333333 0.06551605803581 0.48269687529912 1.008 > 3 39 H 0.66666666666667 0.06551605803581 0.48269687529912 1.008 > 3 40 H 0.00000000000000 0.39884939136915 0.48269687529912 1.008 > 3 41 H 0.33333333333333 0.39884939136915 0.48269687529912 1.008 > 3 42 H 0.66666666666667 0.39884939136915 0.48269687529912 1.008 > 3 43 H 0.00000000000000 0.73218272470248 0.48269687529912 1.008 > 3 44 H 0.33333333333333 0.73218272470248 0.48269687529912 1.008 > 3 45 H 0.66666666666667 0.73218272470248 0.48269687529912 1.008 > 3 46 H 0.00000000000000 0.06551605803581 0.98269687529912 1.008 > 3 47 H 0.33333333333333 0.06551605803581 0.98269687529912 1.008 > 3 48 H 0.66666666666667 0.06551605803581 0.98269687529912 1.008 > 3 49 H 0.00000000000000 0.39884939136915 0.98269687529912 1.008 > 3 50 H 0.33333333333333 0.39884939136915 0.98269687529912 1.008 > 3 51 H 0.66666666666667 0.39884939136915 0.98269687529912 1.008 > 3 52 H 0.00000000000000 0.73218272470248 0.98269687529912 1.008 > 3 53 H 0.33333333333333 0.73218272470248 0.98269687529912 1.008 > 3 54 H 0.66666666666667 0.73218272470248 0.98269687529912 1.008 > 3 55 H 0.16666666666667 0.26781727529752 0.23269687529912 1.008 > 4 56 H 0.50000000000000 0.26781727529752 0.23269687529912 1.008 > 4 57 H 0.83333333333333 0.26781727529752 0.23269687529912 1.008 > 4 58 H 0.16666666666667 0.60115060863085 0.23269687529912 1.008 > 4 59 H 0.50000000000000 0.60115060863085 0.23269687529912 1.008 > 4 60 H 0.83333333333333 0.60115060863085 0.23269687529912 1.008 > 4 61 H 0.16666666666667 0.93448394196419 0.23269687529912 1.008 > 4 62 H 0.50000000000000 0.93448394196419 0.23269687529912 1.008 > 4 63 H 0.83333333333333 0.93448394196419 0.23269687529912 1.008 > 4 64 H 0.16666666666667 0.26781727529752 0.73269687529912 1.008 > 4 65 H 0.50000000000000 0.26781727529752 0.73269687529912 1.008 > 4 66 H 0.83333333333333 0.26781727529752 0.73269687529912 1.008 > 4 67 H 0.16666666666667 0.60115060863085 0.73269687529912 1.008 > 4 68 H 0.50000000000000 0.60115060863085 0.73269687529912 1.008 > 4 69 H 0.83333333333333 0.60115060863085 0.73269687529912 1.008 > 4 70 H 0.16666666666667 0.93448394196419 0.73269687529912 1.008 > 4 71 H 0.50000000000000 0.93448394196419 0.73269687529912 1.008 > 4 72 H 0.83333333333333 0.93448394196419 0.73269687529912 1.008 > 4 *73 O 0.00000000000000 0.00625894078119 0.42751198464100 15.999 > 5 74 O 0.33333333333333 0.00625894078119 0.42751198464100 15.999 > 5 75 O 0.66666666666667 0.00625894078119 0.42751198464100 15.999 > 5 76 O 0.00000000000000 0.33959227411452 0.42751198464100 15.999 > 5 77 O 0.33333333333333 0.33959227411452 0.42751198464100 15.999 > 5 78 O 0.66666666666667 0.33959227411452 0.42751198464100 15.999 > 5 79 O 0.00000000000000 0.67292560744785 0.42751198464100 15.999 > 5 80 O 0.33333333333333 0.67292560744785 0.42751198464100 15.999 > 5 81 O 0.66666666666667 0.67292560744785 0.42751198464100 15.999 > 5 82 O 0.00000000000000 0.00625894078119 0.92751198464100 15.999 > 5 83 O 0.33333333333333 0.00625894078119 0.92751198464100 15.999 > 5 84 O 0.66666666666667 0.00625894078119 0.92751198464100 15.999 > 5 85 O 0.00000000000000 0.33959227411452 0.92751198464100 15.999 > 5 86 O 0.33333333333333 0.33959227411452 0.92751198464100 15.999 > 5 87 O 0.66666666666667 0.33959227411452 0.92751198464100 15.999 > 5 88 O 0.00000000000000 0.67292560744785 0.92751198464100 15.999 > 5 89 O 0.33333333333333 0.67292560744785 0.92751198464100 15.999 > 5 90 O 0.66666666666667 0.67292560744785 0.92751198464100 15.999 > 5 *91 O 0.16666666666667 0.17420719413818 0.30918920801386 15.999 > 6 92 O 0.50000000000000 0.17420719413818 0.30918920801386 15.999 > 6 93 O 0.83333333333333 0.17420719413818 0.30918920801386 15.999 > 6 94 O 0.16666666666667 0.50754052747152 0.30918920801386 15.999 > 6 95 O 0.50000000000000 0.50754052747152 0.30918920801386 15.999 > 6 96 O 0.83333333333333 0.50754052747152 0.30918920801386 15.999 > 6 97 O 0.16666666666667 0.84087386080485 0.30918920801386 15.999 > 6 98 O 0.50000000000000 0.84087386080485 0.30918920801386 15.999 > 6 99 O 0.83333333333333 0.84087386080485 0.30918920801386 15.999 > 6 100 O 0.16666666666667 0.17420719413818 0.80918920801386 15.999 > 6 101 O 0.50000000000000 0.17420719413818 0.80918920801386 15.999 > 6 102 O 0.83333333333333 0.17420719413818 0.80918920801386 15.999 > 6 103 O 0.16666666666667 0.50754052747152 0.80918920801386 15.999 > 6 104 O 0.50000000000000 0.50754052747152 0.80918920801386 15.999 > 6 105 O 0.83333333333333 0.50754052747152 0.80918920801386 15.999 > 6 106 O 0.16666666666667 0.84087386080485 0.80918920801386 15.999 > 6 107 O 0.50000000000000 0.84087386080485 0.80918920801386 15.999 > 6 108 O 0.83333333333333 0.84087386080485 0.80918920801386 15.999 > 6 109 O 0.16666666666667 0.32707439255215 0.17751198464100 15.999 > 7 110 O 0.50000000000000 0.32707439255215 0.17751198464100 15.999 > 7 111 O 0.83333333333333 0.32707439255215 0.17751198464100 15.999 > 7 112 O 0.16666666666667 0.66040772588548 0.17751198464100 15.999 > 7 113 O 0.50000000000000 0.66040772588548 0.17751198464100 15.999 > 7 114 O 0.83333333333333 0.66040772588548 0.17751198464100 15.999 > 7 115 O 0.16666666666667 0.99374105921881 0.17751198464100 15.999 > 7 116 O 0.50000000000000 0.99374105921881 0.17751198464100 15.999 > 7 117 O 0.83333333333333 0.99374105921881 0.17751198464100 15.999 > 7 118 O 0.16666666666667 0.32707439255215 0.67751198464100 15.999 > 7 119 O 0.50000000000000 0.32707439255215 0.67751198464100 15.999 > 7 120 O 0.83333333333333 0.32707439255215 0.67751198464100 15.999 > 7 121 O 0.16666666666667 0.66040772588548 0.67751198464100 15.999 > 7 122 O 0.50000000000000 0.66040772588548 0.67751198464100 15.999 > 7 123 O 0.83333333333333 0.66040772588548 0.67751198464100 15.999 > 7 124 O 0.16666666666667 0.99374105921881 0.67751198464100 15.999 > 7 125 O 0.50000000000000 0.99374105921881 0.67751198464100 15.999 > 7 126 O 0.83333333333333 0.99374105921881 0.67751198464100 15.999 > 7 127 O 0.00000000000000 0.15912613919515 0.05918920801386 15.999 > 8 128 O 0.33333333333333 0.15912613919515 0.05918920801386 15.999 > 8 129 O 0.66666666666667 0.15912613919515 0.05918920801386 15.999 > 8 130 O 0.00000000000000 0.49245947252848 0.05918920801386 15.999 > 8 131 O 0.33333333333333 0.49245947252848 0.05918920801386 15.999 > 8 132 O 0.66666666666667 0.49245947252848 0.05918920801386 15.999 > 8 133 O 0.00000000000000 0.82579280586182 0.05918920801386 15.999 > 8 134 O 0.33333333333333 0.82579280586182 0.05918920801386 15.999 > 8 135 O 0.66666666666667 0.82579280586182 0.05918920801386 15.999 > 8 136 O 0.00000000000000 0.15912613919515 0.55918920801386 15.999 > 8 137 O 0.33333333333333 0.15912613919515 0.55918920801386 15.999 > 8 138 O 0.66666666666667 0.15912613919515 0.55918920801386 15.999 > 8 139 O 0.00000000000000 0.49245947252848 0.55918920801386 15.999 > 8 140 O 0.33333333333333 0.49245947252848 0.55918920801386 15.999 > 8 141 O 0.66666666666667 0.49245947252848 0.55918920801386 15.999 > 8 142 O 0.00000000000000 0.82579280586182 0.55918920801386 15.999 > 8 143 O 0.33333333333333 0.82579280586182 0.55918920801386 15.999 > 8 144 O 0.66666666666667 0.82579280586182 0.55918920801386 15.999 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7911854 0.0000000 0.0000000 0.0000000 3.6549014 0.0000000 0.0000000 0.0000000 3.7455412 -------------------------- Born effective charges -------------------------- 1 Ho 4.1399928 0.0000000 0.0000000 0.0000000 3.4456288 0.1856045 0.0000000 0.1061863 3.8573323 2 Ho 4.1399928 0.0000000 0.0000000 0.0000000 3.4456288 -0.1856045 0.0000000 -0.1061863 3.8573323 3 H 0.2239342 0.0000000 0.0000000 0.0000000 1.3663735 0.7136470 0.0000000 0.6561379 0.6856608 4 H 0.2239342 0.0000000 0.0000000 0.0000000 1.3663735 -0.7136470 0.0000000 -0.6561379 0.6856608 5 O -1.8815120 0.0000000 0.0000000 0.0000000 -2.4648416 0.1876979 0.0000000 0.1884424 -1.9858461 6 O -2.4824150 0.0000000 0.0000000 0.0000000 -2.3471607 -0.3991077 0.0000000 -0.4463208 -2.5571471 7 O -1.8815120 0.0000000 0.0000000 0.0000000 -2.4648416 -0.1876979 0.0000000 -0.1884424 -1.9858461 8 O -2.4824150 0.0000000 0.0000000 0.0000000 -2.3471607 0.3991077 0.0000000 0.4463208 -2.5571471 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1348), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 240 - Time: 2.247 Solver_block: 200 / 240 - Time: 2.247 Solver_block: 240 / 240 - Time: 0.973 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.503 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1348), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:43:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:43:53]------------------------- 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): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.446964330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.768150520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.382950009999999 Atomic positions (fractional): 1 Ho 0.50000000000000 0.72444929056371 0.98397986409203 164.930 2 Ho 0.00000000000000 0.27555070943629 0.48397986409203 164.930 3 H 0.00000000000000 0.19654817410744 0.96539375059825 1.008 4 H 0.50000000000000 0.80345182589256 0.46539375059825 1.008 5 O 0.00000000000000 0.01877682234356 0.85502396928200 15.999 6 O 0.50000000000000 0.52262158241455 0.61837841602772 15.999 7 O 0.50000000000000 0.98122317765644 0.35502396928201 15.999 8 O 0.00000000000000 0.47737841758545 0.11837841602772 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.340892990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.304451560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.765900019999998 Atomic positions (fractional): 1 Ho 0.16666666666667 0.24148309685457 0.49198993204602 164.930 > 1 2 Ho 0.50000000000000 0.24148309685457 0.49198993204602 164.930 > 1 3 Ho 0.83333333333333 0.24148309685457 0.49198993204602 164.930 > 1 4 Ho 0.16666666666667 0.57481643018790 0.49198993204602 164.930 > 1 5 Ho 0.50000000000000 0.57481643018790 0.49198993204602 164.930 > 1 6 Ho 0.83333333333333 0.57481643018790 0.49198993204602 164.930 > 1 7 Ho 0.16666666666667 0.90814976352124 0.49198993204602 164.930 > 1 8 Ho 0.50000000000000 0.90814976352124 0.49198993204602 164.930 > 1 9 Ho 0.83333333333333 0.90814976352124 0.49198993204602 164.930 > 1 10 Ho 0.16666666666667 0.24148309685457 0.99198993204602 164.930 > 1 11 Ho 0.50000000000000 0.24148309685457 0.99198993204602 164.930 > 1 12 Ho 0.83333333333333 0.24148309685457 0.99198993204602 164.930 > 1 13 Ho 0.16666666666667 0.57481643018790 0.99198993204602 164.930 > 1 14 Ho 0.50000000000000 0.57481643018790 0.99198993204602 164.930 > 1 15 Ho 0.83333333333333 0.57481643018790 0.99198993204602 164.930 > 1 16 Ho 0.16666666666667 0.90814976352124 0.99198993204602 164.930 > 1 17 Ho 0.50000000000000 0.90814976352124 0.99198993204602 164.930 > 1 18 Ho 0.83333333333333 0.90814976352124 0.99198993204602 164.930 > 1 19 Ho 0.00000000000000 0.09185023647876 0.24198993204602 164.930 > 19 20 Ho 0.33333333333333 0.09185023647876 0.24198993204602 164.930 > 19 21 Ho 0.66666666666667 0.09185023647876 0.24198993204602 164.930 > 19 22 Ho 0.00000000000000 0.42518356981210 0.24198993204602 164.930 > 19 23 Ho 0.33333333333333 0.42518356981210 0.24198993204602 164.930 > 19 24 Ho 0.66666666666667 0.42518356981210 0.24198993204602 164.930 > 19 25 Ho 0.00000000000000 0.75851690314543 0.24198993204602 164.930 > 19 26 Ho 0.33333333333333 0.75851690314543 0.24198993204602 164.930 > 19 27 Ho 0.66666666666667 0.75851690314543 0.24198993204602 164.930 > 19 28 Ho 0.00000000000000 0.09185023647876 0.74198993204602 164.930 > 19 29 Ho 0.33333333333333 0.09185023647876 0.74198993204602 164.930 > 19 30 Ho 0.66666666666667 0.09185023647876 0.74198993204602 164.930 > 19 31 Ho 0.00000000000000 0.42518356981210 0.74198993204602 164.930 > 19 32 Ho 0.33333333333333 0.42518356981210 0.74198993204602 164.930 > 19 33 Ho 0.66666666666667 0.42518356981210 0.74198993204602 164.930 > 19 34 Ho 0.00000000000000 0.75851690314543 0.74198993204602 164.930 > 19 35 Ho 0.33333333333333 0.75851690314543 0.74198993204602 164.930 > 19 36 Ho 0.66666666666667 0.75851690314543 0.74198993204602 164.930 > 19 37 H 0.00000000000000 0.06551605803581 0.48269687529912 1.008 > 37 38 H 0.33333333333333 0.06551605803581 0.48269687529912 1.008 > 37 39 H 0.66666666666667 0.06551605803581 0.48269687529912 1.008 > 37 40 H 0.00000000000000 0.39884939136915 0.48269687529912 1.008 > 37 41 H 0.33333333333333 0.39884939136915 0.48269687529912 1.008 > 37 42 H 0.66666666666667 0.39884939136915 0.48269687529912 1.008 > 37 43 H 0.00000000000000 0.73218272470248 0.48269687529912 1.008 > 37 44 H 0.33333333333333 0.73218272470248 0.48269687529912 1.008 > 37 45 H 0.66666666666667 0.73218272470248 0.48269687529912 1.008 > 37 46 H 0.00000000000000 0.06551605803581 0.98269687529912 1.008 > 37 47 H 0.33333333333333 0.06551605803581 0.98269687529912 1.008 > 37 48 H 0.66666666666667 0.06551605803581 0.98269687529912 1.008 > 37 49 H 0.00000000000000 0.39884939136915 0.98269687529912 1.008 > 37 50 H 0.33333333333333 0.39884939136915 0.98269687529912 1.008 > 37 51 H 0.66666666666667 0.39884939136915 0.98269687529912 1.008 > 37 52 H 0.00000000000000 0.73218272470248 0.98269687529912 1.008 > 37 53 H 0.33333333333333 0.73218272470248 0.98269687529912 1.008 > 37 54 H 0.66666666666667 0.73218272470248 0.98269687529912 1.008 > 37 55 H 0.16666666666667 0.26781727529752 0.23269687529912 1.008 > 55 56 H 0.50000000000000 0.26781727529752 0.23269687529912 1.008 > 55 57 H 0.83333333333333 0.26781727529752 0.23269687529912 1.008 > 55 58 H 0.16666666666667 0.60115060863085 0.23269687529912 1.008 > 55 59 H 0.50000000000000 0.60115060863085 0.23269687529912 1.008 > 55 60 H 0.83333333333333 0.60115060863085 0.23269687529912 1.008 > 55 61 H 0.16666666666667 0.93448394196419 0.23269687529912 1.008 > 55 62 H 0.50000000000000 0.93448394196419 0.23269687529912 1.008 > 55 63 H 0.83333333333333 0.93448394196419 0.23269687529912 1.008 > 55 64 H 0.16666666666667 0.26781727529752 0.73269687529912 1.008 > 55 65 H 0.50000000000000 0.26781727529752 0.73269687529912 1.008 > 55 66 H 0.83333333333333 0.26781727529752 0.73269687529912 1.008 > 55 67 H 0.16666666666667 0.60115060863085 0.73269687529912 1.008 > 55 68 H 0.50000000000000 0.60115060863085 0.73269687529912 1.008 > 55 69 H 0.83333333333333 0.60115060863085 0.73269687529912 1.008 > 55 70 H 0.16666666666667 0.93448394196419 0.73269687529912 1.008 > 55 71 H 0.50000000000000 0.93448394196419 0.73269687529912 1.008 > 55 72 H 0.83333333333333 0.93448394196419 0.73269687529912 1.008 > 55 73 O 0.00000000000000 0.00625894078119 0.42751198464100 15.999 > 73 74 O 0.33333333333333 0.00625894078119 0.42751198464100 15.999 > 73 75 O 0.66666666666667 0.00625894078119 0.42751198464100 15.999 > 73 76 O 0.00000000000000 0.33959227411452 0.42751198464100 15.999 > 73 77 O 0.33333333333333 0.33959227411452 0.42751198464100 15.999 > 73 78 O 0.66666666666667 0.33959227411452 0.42751198464100 15.999 > 73 79 O 0.00000000000000 0.67292560744785 0.42751198464100 15.999 > 73 80 O 0.33333333333333 0.67292560744785 0.42751198464100 15.999 > 73 81 O 0.66666666666667 0.67292560744785 0.42751198464100 15.999 > 73 82 O 0.00000000000000 0.00625894078119 0.92751198464100 15.999 > 73 83 O 0.33333333333333 0.00625894078119 0.92751198464100 15.999 > 73 84 O 0.66666666666667 0.00625894078119 0.92751198464100 15.999 > 73 85 O 0.00000000000000 0.33959227411452 0.92751198464100 15.999 > 73 86 O 0.33333333333333 0.33959227411452 0.92751198464100 15.999 > 73 87 O 0.66666666666667 0.33959227411452 0.92751198464100 15.999 > 73 88 O 0.00000000000000 0.67292560744785 0.92751198464100 15.999 > 73 89 O 0.33333333333333 0.67292560744785 0.92751198464100 15.999 > 73 90 O 0.66666666666667 0.67292560744785 0.92751198464100 15.999 > 73 91 O 0.16666666666667 0.17420719413818 0.30918920801386 15.999 > 91 92 O 0.50000000000000 0.17420719413818 0.30918920801386 15.999 > 91 93 O 0.83333333333333 0.17420719413818 0.30918920801386 15.999 > 91 94 O 0.16666666666667 0.50754052747152 0.30918920801386 15.999 > 91 95 O 0.50000000000000 0.50754052747152 0.30918920801386 15.999 > 91 96 O 0.83333333333333 0.50754052747152 0.30918920801386 15.999 > 91 97 O 0.16666666666667 0.84087386080485 0.30918920801386 15.999 > 91 98 O 0.50000000000000 0.84087386080485 0.30918920801386 15.999 > 91 99 O 0.83333333333333 0.84087386080485 0.30918920801386 15.999 > 91 100 O 0.16666666666667 0.17420719413818 0.80918920801386 15.999 > 91 101 O 0.50000000000000 0.17420719413818 0.80918920801386 15.999 > 91 102 O 0.83333333333333 0.17420719413818 0.80918920801386 15.999 > 91 103 O 0.16666666666667 0.50754052747152 0.80918920801386 15.999 > 91 104 O 0.50000000000000 0.50754052747152 0.80918920801386 15.999 > 91 105 O 0.83333333333333 0.50754052747152 0.80918920801386 15.999 > 91 106 O 0.16666666666667 0.84087386080485 0.80918920801386 15.999 > 91 107 O 0.50000000000000 0.84087386080485 0.80918920801386 15.999 > 91 108 O 0.83333333333333 0.84087386080485 0.80918920801386 15.999 > 91 109 O 0.16666666666667 0.32707439255215 0.17751198464100 15.999 > 109 110 O 0.50000000000000 0.32707439255215 0.17751198464100 15.999 > 109 111 O 0.83333333333333 0.32707439255215 0.17751198464100 15.999 > 109 112 O 0.16666666666667 0.66040772588548 0.17751198464100 15.999 > 109 113 O 0.50000000000000 0.66040772588548 0.17751198464100 15.999 > 109 114 O 0.83333333333333 0.66040772588548 0.17751198464100 15.999 > 109 115 O 0.16666666666667 0.99374105921881 0.17751198464100 15.999 > 109 116 O 0.50000000000000 0.99374105921881 0.17751198464100 15.999 > 109 117 O 0.83333333333333 0.99374105921881 0.17751198464100 15.999 > 109 118 O 0.16666666666667 0.32707439255215 0.67751198464100 15.999 > 109 119 O 0.50000000000000 0.32707439255215 0.67751198464100 15.999 > 109 120 O 0.83333333333333 0.32707439255215 0.67751198464100 15.999 > 109 121 O 0.16666666666667 0.66040772588548 0.67751198464100 15.999 > 109 122 O 0.50000000000000 0.66040772588548 0.67751198464100 15.999 > 109 123 O 0.83333333333333 0.66040772588548 0.67751198464100 15.999 > 109 124 O 0.16666666666667 0.99374105921881 0.67751198464100 15.999 > 109 125 O 0.50000000000000 0.99374105921881 0.67751198464100 15.999 > 109 126 O 0.83333333333333 0.99374105921881 0.67751198464100 15.999 > 109 127 O 0.00000000000000 0.15912613919515 0.05918920801386 15.999 > 127 128 O 0.33333333333333 0.15912613919515 0.05918920801386 15.999 > 127 129 O 0.66666666666667 0.15912613919515 0.05918920801386 15.999 > 127 130 O 0.00000000000000 0.49245947252848 0.05918920801386 15.999 > 127 131 O 0.33333333333333 0.49245947252848 0.05918920801386 15.999 > 127 132 O 0.66666666666667 0.49245947252848 0.05918920801386 15.999 > 127 133 O 0.00000000000000 0.82579280586182 0.05918920801386 15.999 > 127 134 O 0.33333333333333 0.82579280586182 0.05918920801386 15.999 > 127 135 O 0.66666666666667 0.82579280586182 0.05918920801386 15.999 > 127 136 O 0.00000000000000 0.15912613919515 0.55918920801386 15.999 > 127 137 O 0.33333333333333 0.15912613919515 0.55918920801386 15.999 > 127 138 O 0.66666666666667 0.15912613919515 0.55918920801386 15.999 > 127 139 O 0.00000000000000 0.49245947252848 0.55918920801386 15.999 > 127 140 O 0.33333333333333 0.49245947252848 0.55918920801386 15.999 > 127 141 O 0.66666666666667 0.49245947252848 0.55918920801386 15.999 > 127 142 O 0.00000000000000 0.82579280586182 0.55918920801386 15.999 > 127 143 O 0.33333333333333 0.82579280586182 0.55918920801386 15.999 > 127 144 O 0.66666666666667 0.82579280586182 0.55918920801386 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7911854 0.0000000 0.0000000 0.0000000 3.6549014 0.0000000 0.0000000 0.0000000 3.7455412 -------------------------- Born effective charges -------------------------- 1 Ho 4.1399928 0.0000000 0.0000000 0.0000000 3.4456288 0.1856045 0.0000000 0.1061863 3.8573323 2 Ho 4.1399928 0.0000000 0.0000000 0.0000000 3.4456288 -0.1856045 0.0000000 -0.1061863 3.8573323 3 H 0.2239342 0.0000000 0.0000000 0.0000000 1.3663735 0.7136470 0.0000000 0.6561379 0.6856608 4 H 0.2239342 0.0000000 0.0000000 0.0000000 1.3663735 -0.7136470 0.0000000 -0.6561379 0.6856608 5 O -1.8815120 0.0000000 0.0000000 0.0000000 -2.4648416 0.1876979 0.0000000 0.1884424 -1.9858461 6 O -2.4824150 0.0000000 0.0000000 0.0000000 -2.3471607 -0.3991077 0.0000000 -0.4463208 -2.5571471 7 O -1.8815120 0.0000000 0.0000000 0.0000000 -2.4648416 -0.1876979 0.0000000 -0.1884424 -1.9858461 8 O -2.4824150 0.0000000 0.0000000 0.0000000 -2.3471607 0.3991077 0.0000000 0.4463208 -2.5571471 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 91, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:44:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:44:12]------------------------- 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): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.446964330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.768150520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.382950009999999 Atomic positions (fractional): 1 Ho 0.50000000000000 0.72444929056371 0.98397986409203 164.930 2 Ho 0.00000000000000 0.27555070943629 0.48397986409203 164.930 3 H 0.00000000000000 0.19654817410744 0.96539375059825 1.008 4 H 0.50000000000000 0.80345182589256 0.46539375059825 1.008 5 O 0.00000000000000 0.01877682234356 0.85502396928200 15.999 6 O 0.50000000000000 0.52262158241455 0.61837841602772 15.999 7 O 0.50000000000000 0.98122317765644 0.35502396928201 15.999 8 O 0.00000000000000 0.47737841758545 0.11837841602772 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.340892990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.304451560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.765900019999998 Atomic positions (fractional): 1 Ho 0.16666666666667 0.24148309685457 0.49198993204602 164.930 > 1 2 Ho 0.50000000000000 0.24148309685457 0.49198993204602 164.930 > 1 3 Ho 0.83333333333333 0.24148309685457 0.49198993204602 164.930 > 1 4 Ho 0.16666666666667 0.57481643018790 0.49198993204602 164.930 > 1 5 Ho 0.50000000000000 0.57481643018790 0.49198993204602 164.930 > 1 6 Ho 0.83333333333333 0.57481643018790 0.49198993204602 164.930 > 1 7 Ho 0.16666666666667 0.90814976352124 0.49198993204602 164.930 > 1 8 Ho 0.50000000000000 0.90814976352124 0.49198993204602 164.930 > 1 9 Ho 0.83333333333333 0.90814976352124 0.49198993204602 164.930 > 1 10 Ho 0.16666666666667 0.24148309685457 0.99198993204602 164.930 > 1 11 Ho 0.50000000000000 0.24148309685457 0.99198993204602 164.930 > 1 12 Ho 0.83333333333333 0.24148309685457 0.99198993204602 164.930 > 1 13 Ho 0.16666666666667 0.57481643018790 0.99198993204602 164.930 > 1 14 Ho 0.50000000000000 0.57481643018790 0.99198993204602 164.930 > 1 15 Ho 0.83333333333333 0.57481643018790 0.99198993204602 164.930 > 1 16 Ho 0.16666666666667 0.90814976352124 0.99198993204602 164.930 > 1 17 Ho 0.50000000000000 0.90814976352124 0.99198993204602 164.930 > 1 18 Ho 0.83333333333333 0.90814976352124 0.99198993204602 164.930 > 1 19 Ho 0.00000000000000 0.09185023647876 0.24198993204602 164.930 > 19 20 Ho 0.33333333333333 0.09185023647876 0.24198993204602 164.930 > 19 21 Ho 0.66666666666667 0.09185023647876 0.24198993204602 164.930 > 19 22 Ho 0.00000000000000 0.42518356981210 0.24198993204602 164.930 > 19 23 Ho 0.33333333333333 0.42518356981210 0.24198993204602 164.930 > 19 24 Ho 0.66666666666667 0.42518356981210 0.24198993204602 164.930 > 19 25 Ho 0.00000000000000 0.75851690314543 0.24198993204602 164.930 > 19 26 Ho 0.33333333333333 0.75851690314543 0.24198993204602 164.930 > 19 27 Ho 0.66666666666667 0.75851690314543 0.24198993204602 164.930 > 19 28 Ho 0.00000000000000 0.09185023647876 0.74198993204602 164.930 > 19 29 Ho 0.33333333333333 0.09185023647876 0.74198993204602 164.930 > 19 30 Ho 0.66666666666667 0.09185023647876 0.74198993204602 164.930 > 19 31 Ho 0.00000000000000 0.42518356981210 0.74198993204602 164.930 > 19 32 Ho 0.33333333333333 0.42518356981210 0.74198993204602 164.930 > 19 33 Ho 0.66666666666667 0.42518356981210 0.74198993204602 164.930 > 19 34 Ho 0.00000000000000 0.75851690314543 0.74198993204602 164.930 > 19 35 Ho 0.33333333333333 0.75851690314543 0.74198993204602 164.930 > 19 36 Ho 0.66666666666667 0.75851690314543 0.74198993204602 164.930 > 19 37 H 0.00000000000000 0.06551605803581 0.48269687529912 1.008 > 37 38 H 0.33333333333333 0.06551605803581 0.48269687529912 1.008 > 37 39 H 0.66666666666667 0.06551605803581 0.48269687529912 1.008 > 37 40 H 0.00000000000000 0.39884939136915 0.48269687529912 1.008 > 37 41 H 0.33333333333333 0.39884939136915 0.48269687529912 1.008 > 37 42 H 0.66666666666667 0.39884939136915 0.48269687529912 1.008 > 37 43 H 0.00000000000000 0.73218272470248 0.48269687529912 1.008 > 37 44 H 0.33333333333333 0.73218272470248 0.48269687529912 1.008 > 37 45 H 0.66666666666667 0.73218272470248 0.48269687529912 1.008 > 37 46 H 0.00000000000000 0.06551605803581 0.98269687529912 1.008 > 37 47 H 0.33333333333333 0.06551605803581 0.98269687529912 1.008 > 37 48 H 0.66666666666667 0.06551605803581 0.98269687529912 1.008 > 37 49 H 0.00000000000000 0.39884939136915 0.98269687529912 1.008 > 37 50 H 0.33333333333333 0.39884939136915 0.98269687529912 1.008 > 37 51 H 0.66666666666667 0.39884939136915 0.98269687529912 1.008 > 37 52 H 0.00000000000000 0.73218272470248 0.98269687529912 1.008 > 37 53 H 0.33333333333333 0.73218272470248 0.98269687529912 1.008 > 37 54 H 0.66666666666667 0.73218272470248 0.98269687529912 1.008 > 37 55 H 0.16666666666667 0.26781727529752 0.23269687529912 1.008 > 55 56 H 0.50000000000000 0.26781727529752 0.23269687529912 1.008 > 55 57 H 0.83333333333333 0.26781727529752 0.23269687529912 1.008 > 55 58 H 0.16666666666667 0.60115060863085 0.23269687529912 1.008 > 55 59 H 0.50000000000000 0.60115060863085 0.23269687529912 1.008 > 55 60 H 0.83333333333333 0.60115060863085 0.23269687529912 1.008 > 55 61 H 0.16666666666667 0.93448394196419 0.23269687529912 1.008 > 55 62 H 0.50000000000000 0.93448394196419 0.23269687529912 1.008 > 55 63 H 0.83333333333333 0.93448394196419 0.23269687529912 1.008 > 55 64 H 0.16666666666667 0.26781727529752 0.73269687529912 1.008 > 55 65 H 0.50000000000000 0.26781727529752 0.73269687529912 1.008 > 55 66 H 0.83333333333333 0.26781727529752 0.73269687529912 1.008 > 55 67 H 0.16666666666667 0.60115060863085 0.73269687529912 1.008 > 55 68 H 0.50000000000000 0.60115060863085 0.73269687529912 1.008 > 55 69 H 0.83333333333333 0.60115060863085 0.73269687529912 1.008 > 55 70 H 0.16666666666667 0.93448394196419 0.73269687529912 1.008 > 55 71 H 0.50000000000000 0.93448394196419 0.73269687529912 1.008 > 55 72 H 0.83333333333333 0.93448394196419 0.73269687529912 1.008 > 55 73 O 0.00000000000000 0.00625894078119 0.42751198464100 15.999 > 73 74 O 0.33333333333333 0.00625894078119 0.42751198464100 15.999 > 73 75 O 0.66666666666667 0.00625894078119 0.42751198464100 15.999 > 73 76 O 0.00000000000000 0.33959227411452 0.42751198464100 15.999 > 73 77 O 0.33333333333333 0.33959227411452 0.42751198464100 15.999 > 73 78 O 0.66666666666667 0.33959227411452 0.42751198464100 15.999 > 73 79 O 0.00000000000000 0.67292560744785 0.42751198464100 15.999 > 73 80 O 0.33333333333333 0.67292560744785 0.42751198464100 15.999 > 73 81 O 0.66666666666667 0.67292560744785 0.42751198464100 15.999 > 73 82 O 0.00000000000000 0.00625894078119 0.92751198464100 15.999 > 73 83 O 0.33333333333333 0.00625894078119 0.92751198464100 15.999 > 73 84 O 0.66666666666667 0.00625894078119 0.92751198464100 15.999 > 73 85 O 0.00000000000000 0.33959227411452 0.92751198464100 15.999 > 73 86 O 0.33333333333333 0.33959227411452 0.92751198464100 15.999 > 73 87 O 0.66666666666667 0.33959227411452 0.92751198464100 15.999 > 73 88 O 0.00000000000000 0.67292560744785 0.92751198464100 15.999 > 73 89 O 0.33333333333333 0.67292560744785 0.92751198464100 15.999 > 73 90 O 0.66666666666667 0.67292560744785 0.92751198464100 15.999 > 73 91 O 0.16666666666667 0.17420719413818 0.30918920801386 15.999 > 91 92 O 0.50000000000000 0.17420719413818 0.30918920801386 15.999 > 91 93 O 0.83333333333333 0.17420719413818 0.30918920801386 15.999 > 91 94 O 0.16666666666667 0.50754052747152 0.30918920801386 15.999 > 91 95 O 0.50000000000000 0.50754052747152 0.30918920801386 15.999 > 91 96 O 0.83333333333333 0.50754052747152 0.30918920801386 15.999 > 91 97 O 0.16666666666667 0.84087386080485 0.30918920801386 15.999 > 91 98 O 0.50000000000000 0.84087386080485 0.30918920801386 15.999 > 91 99 O 0.83333333333333 0.84087386080485 0.30918920801386 15.999 > 91 100 O 0.16666666666667 0.17420719413818 0.80918920801386 15.999 > 91 101 O 0.50000000000000 0.17420719413818 0.80918920801386 15.999 > 91 102 O 0.83333333333333 0.17420719413818 0.80918920801386 15.999 > 91 103 O 0.16666666666667 0.50754052747152 0.80918920801386 15.999 > 91 104 O 0.50000000000000 0.50754052747152 0.80918920801386 15.999 > 91 105 O 0.83333333333333 0.50754052747152 0.80918920801386 15.999 > 91 106 O 0.16666666666667 0.84087386080485 0.80918920801386 15.999 > 91 107 O 0.50000000000000 0.84087386080485 0.80918920801386 15.999 > 91 108 O 0.83333333333333 0.84087386080485 0.80918920801386 15.999 > 91 109 O 0.16666666666667 0.32707439255215 0.17751198464100 15.999 > 109 110 O 0.50000000000000 0.32707439255215 0.17751198464100 15.999 > 109 111 O 0.83333333333333 0.32707439255215 0.17751198464100 15.999 > 109 112 O 0.16666666666667 0.66040772588548 0.17751198464100 15.999 > 109 113 O 0.50000000000000 0.66040772588548 0.17751198464100 15.999 > 109 114 O 0.83333333333333 0.66040772588548 0.17751198464100 15.999 > 109 115 O 0.16666666666667 0.99374105921881 0.17751198464100 15.999 > 109 116 O 0.50000000000000 0.99374105921881 0.17751198464100 15.999 > 109 117 O 0.83333333333333 0.99374105921881 0.17751198464100 15.999 > 109 118 O 0.16666666666667 0.32707439255215 0.67751198464100 15.999 > 109 119 O 0.50000000000000 0.32707439255215 0.67751198464100 15.999 > 109 120 O 0.83333333333333 0.32707439255215 0.67751198464100 15.999 > 109 121 O 0.16666666666667 0.66040772588548 0.67751198464100 15.999 > 109 122 O 0.50000000000000 0.66040772588548 0.67751198464100 15.999 > 109 123 O 0.83333333333333 0.66040772588548 0.67751198464100 15.999 > 109 124 O 0.16666666666667 0.99374105921881 0.67751198464100 15.999 > 109 125 O 0.50000000000000 0.99374105921881 0.67751198464100 15.999 > 109 126 O 0.83333333333333 0.99374105921881 0.67751198464100 15.999 > 109 127 O 0.00000000000000 0.15912613919515 0.05918920801386 15.999 > 127 128 O 0.33333333333333 0.15912613919515 0.05918920801386 15.999 > 127 129 O 0.66666666666667 0.15912613919515 0.05918920801386 15.999 > 127 130 O 0.00000000000000 0.49245947252848 0.05918920801386 15.999 > 127 131 O 0.33333333333333 0.49245947252848 0.05918920801386 15.999 > 127 132 O 0.66666666666667 0.49245947252848 0.05918920801386 15.999 > 127 133 O 0.00000000000000 0.82579280586182 0.05918920801386 15.999 > 127 134 O 0.33333333333333 0.82579280586182 0.05918920801386 15.999 > 127 135 O 0.66666666666667 0.82579280586182 0.05918920801386 15.999 > 127 136 O 0.00000000000000 0.15912613919515 0.55918920801386 15.999 > 127 137 O 0.33333333333333 0.15912613919515 0.55918920801386 15.999 > 127 138 O 0.66666666666667 0.15912613919515 0.55918920801386 15.999 > 127 139 O 0.00000000000000 0.49245947252848 0.55918920801386 15.999 > 127 140 O 0.33333333333333 0.49245947252848 0.55918920801386 15.999 > 127 141 O 0.66666666666667 0.49245947252848 0.55918920801386 15.999 > 127 142 O 0.00000000000000 0.82579280586182 0.55918920801386 15.999 > 127 143 O 0.33333333333333 0.82579280586182 0.55918920801386 15.999 > 127 144 O 0.66666666666667 0.82579280586182 0.55918920801386 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7911854 0.0000000 0.0000000 0.0000000 3.6549014 0.0000000 0.0000000 0.0000000 3.7455412 -------------------------- Born effective charges -------------------------- 1 Ho 4.1399928 0.0000000 0.0000000 0.0000000 3.4456288 0.1856045 0.0000000 0.1061863 3.8573323 2 Ho 4.1399928 0.0000000 0.0000000 0.0000000 3.4456288 -0.1856045 0.0000000 -0.1061863 3.8573323 3 H 0.2239342 0.0000000 0.0000000 0.0000000 1.3663735 0.7136470 0.0000000 0.6561379 0.6856608 4 H 0.2239342 0.0000000 0.0000000 0.0000000 1.3663735 -0.7136470 0.0000000 -0.6561379 0.6856608 5 O -1.8815120 0.0000000 0.0000000 0.0000000 -2.4648416 0.1876979 0.0000000 0.1884424 -1.9858461 6 O -2.4824150 0.0000000 0.0000000 0.0000000 -2.3471607 -0.3991077 0.0000000 -0.4463208 -2.5571471 7 O -1.8815120 0.0000000 0.0000000 0.0000000 -2.4648416 -0.1876979 0.0000000 -0.1884424 -1.9858461 8 O -2.4824150 0.0000000 0.0000000 0.0000000 -2.3471607 0.3991077 0.0000000 0.4463208 -2.5571471 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 10 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.93, Number of G-points: 301, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/240) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 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 2.580 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 -0.000) 0.000 9.465 ( 0.000 0.000 -0.000) 0.000 10.754 ( 0.000 0.000 0.000) 0.000 11.394 ( 0.000 0.000 0.000) 0.000 11.434 ( 0.000 0.000 0.000) 0.000 11.679 ( 0.000 0.000 -0.000) 0.000 13.077 ( 0.000 0.000 -0.000) 0.000 14.381 ( 0.000 0.000 0.000) 0.000 17.762 ( 0.000 0.000 0.000) 0.000 29.592 ( 0.000 0.000 0.000) 0.000 30.413 ( 0.000 0.000 -0.000) 0.000 33.971 ( 0.000 0.000 0.000) 0.000 34.868 ( 0.000 0.000 0.000) 0.000 77.143 ( 0.000 0.000 0.000) 0.000 77.372 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/240) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 26.666 0.000 0.000) 26.666 0.563 ( 28.661 0.000 0.000) 28.661 1.095 ( 55.977 0.000 0.000) 55.977 2.824 ( 23.609 0.000 0.000) 23.609 3.281 ( 0.170 0.000 0.000) 0.170 4.638 ( -2.675 0.000 0.000) 2.675 6.827 ( 1.664 0.000 0.000) 1.664 7.178 ( 1.573 0.000 0.000) 1.573 8.555 ( 9.996 0.000 0.000) 9.996 9.464 ( -0.046 0.000 0.000) 0.046 10.104 ( -1.967 0.000 0.000) 1.967 10.654 ( -8.623 0.000 0.000) 8.623 11.456 ( 2.148 0.000 0.000) 2.148 11.785 ( 9.518 0.000 0.000) 9.518 13.047 ( -3.110 0.000 0.000) 3.110 14.358 ( -2.354 0.000 0.000) 2.354 15.613 ( -1.816 0.000 0.000) 1.816 17.685 ( -7.927 0.000 0.000) 7.927 29.644 ( 5.271 0.000 0.000) 5.271 31.065 ( 1.282 0.000 0.000) 1.282 33.975 ( 0.395 0.000 0.000) 0.395 34.854 ( -1.392 0.000 0.000) 1.392 77.134 ( -0.852 0.000 0.000) 0.852 77.362 ( -1.036 0.000 0.000) 1.036 ======================= Grid point 2 (3/240) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 24.514 0.000 0.000) 24.514 1.099 ( 26.477 0.000 0.000) 26.477 2.146 ( 51.870 0.000 0.000) 51.870 3.296 ( 2.014 0.000 0.000) 2.014 3.403 ( 33.793 0.000 0.000) 33.793 4.565 ( -4.670 0.000 0.000) 4.670 6.870 ( 2.703 0.000 0.000) 2.703 7.223 ( 3.089 0.000 0.000) 3.089 8.794 ( 13.209 0.000 0.000) 13.209 9.469 ( 0.770 0.000 0.000) 0.770 10.059 ( -2.360 0.000 0.000) 2.360 10.495 ( -6.240 0.000 0.000) 6.240 11.507 ( 2.913 0.000 0.000) 2.913 11.992 ( 10.881 0.000 0.000) 10.881 12.964 ( -5.144 0.000 0.000) 5.144 14.292 ( -4.398 0.000 0.000) 4.398 15.562 ( -3.383 0.000 0.000) 3.383 17.463 ( -14.671 0.000 0.000) 14.671 29.791 ( 9.691 0.000 0.000) 9.691 31.100 ( 2.193 0.000 0.000) 2.193 33.987 ( 0.890 0.000 0.000) 0.890 34.814 ( -2.696 0.000 0.000) 2.696 77.112 ( -1.400 0.000 0.000) 1.400 77.333 ( -1.880 0.000 0.000) 1.880 ======================= Grid point 3 (4/240) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 21.774 0.000 0.000) 21.774 1.579 ( 23.063 0.000 0.000) 23.063 2.971 ( 24.421 0.000 0.000) 24.421 3.476 ( 25.208 0.000 0.000) 25.208 4.015 ( 23.471 0.000 0.000) 23.471 4.508 ( 3.538 0.000 0.000) 3.538 6.927 ( 3.026 0.000 0.000) 3.026 7.293 ( 3.920 0.000 0.000) 3.920 9.007 ( 7.868 0.000 0.000) 7.868 9.500 ( 2.422 0.000 0.000) 2.422 10.023 ( -1.070 0.000 0.000) 1.070 10.456 ( 2.479 0.000 0.000) 2.479 11.561 ( 2.524 0.000 0.000) 2.524 12.181 ( 8.075 0.000 0.000) 8.075 12.865 ( -4.446 0.000 0.000) 4.446 14.190 ( -6.020 0.000 0.000) 6.020 15.487 ( -4.246 0.000 0.000) 4.246 17.131 ( -19.292 0.000 0.000) 19.292 30.009 ( 12.637 0.000 0.000) 12.637 31.146 ( 2.411 0.000 0.000) 2.411 34.011 ( 1.545 0.000 0.000) 1.545 34.751 ( -3.828 0.000 0.000) 3.828 77.083 ( -1.466 0.000 0.000) 1.466 77.291 ( -2.422 0.000 0.000) 2.422 ======================= Grid point 4 (5/240) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 19.258 0.000 0.000) 19.258 1.987 ( 19.071 0.000 0.000) 19.071 3.135 ( 1.326 0.000 0.000) 1.326 4.091 ( -8.532 0.000 0.000) 8.532 4.209 ( 41.242 0.000 0.000) 41.242 4.888 ( 27.999 0.000 0.000) 27.999 6.987 ( 3.224 0.000 0.000) 3.224 7.364 ( 3.116 0.000 0.000) 3.116 9.104 ( 3.149 0.000 0.000) 3.149 9.559 ( 3.380 0.000 0.000) 3.380 10.026 ( 1.604 0.000 0.000) 1.604 10.559 ( 6.687 0.000 0.000) 6.687 11.605 ( 2.090 0.000 0.000) 2.090 12.277 ( 1.091 0.000 0.000) 1.091 12.830 ( 1.848 0.000 0.000) 1.848 14.061 ( -7.300 0.000 0.000) 7.300 15.406 ( -3.790 0.000 0.000) 3.790 16.734 ( -21.268 0.000 0.000) 21.268 30.268 ( 13.830 0.000 0.000) 13.830 31.187 ( 1.719 0.000 0.000) 1.719 34.048 ( 2.356 0.000 0.000) 2.356 34.668 ( -4.711 0.000 0.000) 4.711 77.058 ( -1.050 0.000 0.000) 1.050 77.242 ( -2.656 0.000 0.000) 2.656 ======================= Grid point 5 (6/240) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 17.404 0.000 0.000) 17.404 2.317 ( 15.093 0.000 0.000) 15.093 3.129 ( -1.381 0.000 0.000) 1.381 3.866 ( -13.630 0.000 0.000) 13.630 4.943 ( 33.685 0.000 0.000) 33.685 5.393 ( 22.879 0.000 0.000) 22.879 7.054 ( 3.887 0.000 0.000) 3.887 7.402 ( 0.580 0.000 0.000) 0.580 9.169 ( 4.230 0.000 0.000) 4.230 9.613 ( 1.704 0.000 0.000) 1.704 10.093 ( 5.395 0.000 0.000) 5.395 10.660 ( 2.921 0.000 0.000) 2.921 11.648 ( 2.572 0.000 0.000) 2.572 12.225 ( -5.551 0.000 0.000) 5.551 12.941 ( 8.866 0.000 0.000) 8.866 13.909 ( -8.354 0.000 0.000) 8.354 15.352 ( -1.537 0.000 0.000) 1.537 16.326 ( -20.565 0.000 0.000) 20.565 30.533 ( 13.331 0.000 0.000) 13.331 31.206 ( 0.058 0.000 0.000) 0.058 34.102 ( 3.255 0.000 0.000) 3.255 34.571 ( -5.280 0.000 0.000) 5.280 77.045 ( -0.304 0.000 0.000) 0.304 77.190 ( -2.634 0.000 0.000) 2.634 ======================= Grid point 6 (7/240) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 15.576 0.000 0.000) 15.576 2.573 ( 11.340 0.000 0.000) 11.340 3.090 ( -2.388 0.000 0.000) 2.388 3.583 ( -15.301 0.000 0.000) 15.301 5.490 ( 22.521 0.000 0.000) 22.521 5.746 ( 13.147 0.000 0.000) 13.147 7.138 ( 4.747 0.000 0.000) 4.747 7.385 ( -2.229 0.000 0.000) 2.229 9.276 ( 6.744 0.000 0.000) 6.744 9.612 ( -1.888 0.000 0.000) 1.888 10.230 ( 8.409 0.000 0.000) 8.409 10.660 ( -2.858 0.000 0.000) 2.858 11.712 ( 4.168 0.000 0.000) 4.168 12.093 ( -7.599 0.000 0.000) 7.599 13.139 ( 10.980 0.000 0.000) 10.980 13.739 ( -9.240 0.000 0.000) 9.240 15.359 ( 2.489 0.000 0.000) 2.489 15.954 ( -17.585 0.000 0.000) 17.585 30.775 ( 11.456 0.000 0.000) 11.456 31.184 ( -2.446 0.000 0.000) 2.446 34.174 ( 4.134 0.000 0.000) 4.134 34.466 ( -5.495 0.000 0.000) 5.495 77.047 ( 0.559 0.000 0.000) 0.559 77.141 ( -2.404 0.000 0.000) 2.404 ======================= Grid point 7 (8/240) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 6.870 0.000 0.000) 6.870 2.782 ( 6.533 0.000 0.000) 6.533 3.079 ( 4.105 0.000 0.000) 4.105 3.288 ( -14.644 0.000 0.000) 14.644 5.808 ( 10.351 0.000 0.000) 10.351 5.891 ( 1.725 0.000 0.000) 1.725 7.234 ( 4.928 0.000 0.000) 4.928 7.322 ( -4.083 0.000 0.000) 4.083 9.416 ( 7.252 0.000 0.000) 7.252 9.541 ( -5.319 0.000 0.000) 5.319 10.402 ( 8.960 0.000 0.000) 8.960 10.561 ( -7.053 0.000 0.000) 7.053 11.811 ( 6.137 0.000 0.000) 6.137 11.945 ( -7.482 0.000 0.000) 7.482 13.351 ( 10.766 0.000 0.000) 10.766 13.553 ( -10.024 0.000 0.000) 10.024 15.456 ( 7.657 0.000 0.000) 7.657 15.656 ( -13.006 0.000 0.000) 13.006 30.971 ( 8.671 0.000 0.000) 8.671 31.108 ( -5.498 0.000 0.000) 5.498 34.261 ( 4.867 0.000 0.000) 4.867 34.361 ( -5.346 0.000 0.000) 5.346 77.066 ( 1.355 0.000 0.000) 1.355 77.099 ( -1.980 0.000 0.000) 1.980 ======================= Grid point 15 (9/240) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.000 26.354 0.000) 26.354 0.744 ( 0.000 34.884 0.000) 34.884 0.996 ( 0.000 46.315 0.000) 46.315 2.574 ( 0.000 -0.602 0.000) 0.602 3.371 ( 0.000 8.151 0.000) 8.151 4.642 ( 0.000 -2.527 0.000) 2.527 6.793 ( 0.000 -1.641 0.000) 1.641 7.507 ( 0.000 2.968 0.000) 2.968 8.447 ( 0.000 -0.479 0.000) 0.479 8.582 ( 0.000 -16.439 0.000) 16.439 9.689 ( 0.000 16.806 0.000) 16.806 11.371 ( 0.000 -2.056 0.000) 2.056 11.440 ( 0.000 0.561 0.000) 0.561 11.680 ( 0.000 -0.022 0.000) 0.022 13.063 ( 0.000 0.594 0.000) 0.594 14.310 ( 0.000 -5.930 0.000) 5.930 14.563 ( 0.000 1.822 0.000) 1.822 18.482 ( 0.000 -3.243 0.000) 3.243 29.611 ( 0.000 1.731 0.000) 1.731 30.405 ( 0.000 -0.733 0.000) 0.733 34.463 ( 0.000 0.406 0.000) 0.406 34.866 ( 0.000 -0.160 0.000) 0.160 77.259 ( 0.000 10.946 0.000) 10.946 81.580 ( 0.000 -8.794 0.000) 8.794 ======================= Grid point 16 (10/240) ======================= q-point: ( 0.07 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 19.839 21.165 0.000) 29.009 0.889 ( 13.888 27.347 0.000) 30.671 1.432 ( 40.313 28.327 0.000) 49.270 2.815 ( 23.178 -1.042 0.000) 23.201 3.367 ( -0.130 7.913 0.000) 7.914 4.610 ( -2.964 -2.652 0.000) 3.977 6.805 ( 1.187 -2.090 0.000) 2.404 7.363 ( -5.529 11.015 0.000) 12.325 8.543 ( 10.107 -1.423 0.000) 10.207 9.093 ( 27.039 -38.786 0.000) 47.281 9.686 ( -0.610 11.838 0.000) 11.854 11.088 ( -19.367 10.804 0.000) 22.177 11.462 ( 0.667 0.343 0.000) 0.750 11.777 ( 10.801 -0.663 0.000) 10.821 13.053 ( -2.385 0.751 0.000) 2.501 14.329 ( -1.619 -3.594 0.000) 3.942 14.939 ( 24.274 -24.447 0.000) 34.451 18.121 ( -26.222 12.650 0.000) 29.113 29.663 ( 5.235 1.705 0.000) 5.505 30.675 ( 17.123 -15.259 0.000) 22.936 34.275 ( -11.645 11.330 0.000) 16.247 34.851 ( -1.487 -0.268 0.000) 1.511 77.246 ( -1.263 10.655 0.000) 10.729 79.586 (-111.584 92.913 0.000) 145.202 ======================= Grid point 17 (11/240) ======================= q-point: ( 0.13 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 18.653 16.921 0.000) 25.184 1.256 ( 21.281 13.966 0.000) 25.455 2.309 ( 46.334 14.107 0.000) 48.434 3.357 ( 14.616 3.128 0.000) 14.947 3.403 ( 20.427 2.361 0.000) 20.563 4.533 ( -4.857 -3.042 0.000) 5.731 6.838 ( 2.140 -3.056 0.000) 3.731 7.314 ( -0.649 7.197 0.000) 7.226 8.786 ( 13.304 -1.429 0.000) 13.380 9.452 ( 12.919 -22.650 0.000) 26.075 9.661 ( -1.806 1.901 0.000) 2.622 10.784 ( -11.069 12.921 0.000) 17.014 11.493 ( 2.373 -0.862 0.000) 2.525 12.016 ( 12.561 1.243 0.000) 12.623 12.973 ( -5.362 1.093 0.000) 5.473 14.266 ( -4.518 -2.689 0.000) 5.258 15.236 ( 7.491 -22.079 0.000) 23.316 17.648 ( -22.793 10.854 0.000) 25.245 29.808 ( 9.589 1.589 0.000) 9.720 30.919 ( 8.832 -12.574 0.000) 15.366 34.125 ( -4.368 9.438 0.000) 10.399 34.809 ( -2.798 -0.464 0.000) 2.837 77.213 ( -1.995 9.756 0.000) 9.958 78.209 ( -41.078 62.376 0.000) 74.687 ======================= Grid point 18 (12/240) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 18.627 10.114 0.000) 21.196 1.658 ( 19.932 7.552 0.000) 21.315 3.038 ( 20.494 5.692 0.000) 21.270 3.563 ( 25.312 7.956 0.000) 26.533 3.992 ( 24.043 -2.173 0.000) 24.141 4.465 ( 2.121 -4.101 0.000) 4.617 6.885 ( 2.720 -3.861 0.000) 4.723 7.318 ( 0.807 2.081 0.000) 2.232 8.999 ( 7.823 -1.501 0.000) 7.966 9.613 ( -0.445 8.460 0.000) 8.472 9.682 ( 9.244 -19.898 0.000) 21.940 10.675 ( -0.285 12.285 0.000) 12.288 11.544 ( 2.764 -1.156 0.000) 2.996 12.229 ( 8.695 3.520 0.000) 9.380 12.869 ( -4.589 0.696 0.000) 4.642 14.161 ( -6.166 -2.775 0.000) 6.762 15.297 ( 0.207 -15.258 0.000) 15.259 17.215 ( -22.400 5.969 0.000) 23.182 30.024 ( 12.493 1.374 0.000) 12.568 31.051 ( 5.280 -7.755 0.000) 9.382 34.080 ( -0.804 5.586 0.000) 5.644 34.744 ( -3.936 -0.667 0.000) 3.992 77.172 ( -2.209 8.371 0.000) 8.657 77.682 ( -17.833 31.904 0.000) 36.549 ======================= Grid point 19 (13/240) ======================= q-point: ( 0.27 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 17.348 5.859 0.000) 18.311 2.017 ( 17.022 3.032 0.000) 17.290 3.168 ( 0.272 2.847 0.000) 2.860 4.075 ( -8.509 -1.638 0.000) 8.666 4.260 ( 38.696 4.477 0.000) 38.954 4.822 ( 27.216 -6.050 0.000) 27.880 6.942 ( 3.239 -4.123 0.000) 5.243 7.337 ( 0.992 -2.419 0.000) 2.615 9.092 ( 2.635 -1.554 0.000) 3.059 9.592 ( -1.118 -1.807 0.000) 2.125 9.874 ( 10.025 -4.125 0.000) 10.840 10.739 ( 5.387 12.149 0.000) 13.290 11.597 ( 2.722 -0.578 0.000) 2.782 12.323 ( 0.526 4.018 0.000) 4.052 12.836 ( 2.134 0.701 0.000) 2.246 14.032 ( -7.123 -2.721 0.000) 7.625 15.281 ( -1.182 -10.658 0.000) 10.723 16.779 ( -22.461 3.439 0.000) 22.723 30.280 ( 13.655 1.091 0.000) 13.699 31.133 ( 3.211 -4.759 0.000) 5.741 34.084 ( 1.091 3.082 0.000) 3.269 34.659 ( -4.797 -0.850 0.000) 4.872 77.130 ( -2.063 6.686 0.000) 6.997 77.428 ( -9.679 15.990 0.000) 18.692 ======================= Grid point 20 (14/240) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 16.097 3.023 0.000) 16.378 2.314 ( 13.749 -0.108 0.000) 13.750 3.141 ( -2.474 0.969 0.000) 2.656 3.850 ( -13.570 -1.616 0.000) 13.666 4.947 ( 31.382 0.237 0.000) 31.382 5.312 ( 22.134 -7.320 0.000) 23.313 7.013 ( 4.071 -3.931 0.000) 5.659 7.348 ( -0.020 -4.852 0.000) 4.852 9.137 ( 2.774 -2.869 0.000) 3.990 9.566 ( -1.734 -6.167 0.000) 6.406 10.074 ( 10.770 2.843 0.000) 11.139 10.823 ( 2.217 12.181 0.000) 12.381 11.652 ( 3.086 0.364 0.000) 3.107 12.262 ( -5.882 3.367 0.000) 6.778 12.950 ( 8.822 0.921 0.000) 8.870 13.888 ( -7.645 -1.931 0.000) 7.886 15.271 ( 0.522 -6.970 0.000) 6.989 16.355 ( -21.127 2.319 0.000) 21.254 30.541 ( 13.127 0.752 0.000) 13.148 31.174 ( 0.955 -2.894 0.000) 3.048 34.119 ( 2.478 1.472 0.000) 2.882 34.560 ( -5.312 -0.961 0.000) 5.399 77.095 ( -1.426 4.762 0.000) 4.971 77.281 ( -5.941 7.900 0.000) 9.884 ======================= Grid point 21 (15/240) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 11.497 -1.357 0.000) 11.577 2.551 ( 13.621 0.136 0.000) 13.622 3.083 ( -3.173 -0.741 0.000) 3.259 3.569 ( -15.158 -1.420 0.000) 15.224 5.452 ( 20.526 -3.544 0.000) 20.829 5.653 ( 12.821 -8.256 0.000) 15.249 7.100 ( 4.911 -3.623 0.000) 6.103 7.331 ( -1.803 -4.984 0.000) 5.300 9.212 ( 4.995 -5.422 0.000) 7.372 9.518 ( -3.362 -8.461 0.000) 9.104 10.289 ( 11.306 6.642 0.000) 13.113 10.808 ( -3.723 11.629 0.000) 12.211 11.724 ( 4.451 1.058 0.000) 4.575 12.125 ( -7.911 2.903 0.000) 8.427 13.148 ( 11.049 0.904 0.000) 11.086 13.734 ( -8.373 -0.463 0.000) 8.385 15.314 ( 4.192 -3.800 0.000) 5.658 15.973 ( -18.141 1.576 0.000) 18.210 30.778 ( 11.212 0.348 0.000) 11.217 31.166 ( -1.855 -1.655 0.000) 2.486 34.178 ( 3.630 0.396 0.000) 3.652 34.456 ( -5.440 -0.943 0.000) 5.522 77.079 ( -0.228 3.001 0.000) 3.010 77.187 ( -3.933 3.995 0.000) 5.607 ======================= Grid point 22 (16/240) ======================= q-point: ( 0.47 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 6.913 -2.845 0.000) 7.476 2.767 ( 4.992 -1.556 0.000) 5.229 3.068 ( 4.515 -1.058 0.000) 4.638 3.278 ( -14.433 -1.024 0.000) 14.469 5.737 ( 8.929 -6.506 0.000) 11.048 5.800 ( 2.253 -8.137 0.000) 8.443 7.196 ( 4.814 -3.585 0.000) 6.002 7.279 ( -3.584 -4.136 0.000) 5.473 9.322 ( 6.068 -7.804 0.000) 9.885 9.434 ( -5.230 -8.954 0.000) 10.370 10.504 ( 10.637 8.881 0.000) 13.857 10.689 ( -8.228 10.460 0.000) 13.308 11.829 ( 6.445 1.607 0.000) 6.642 11.969 ( -7.884 2.265 0.000) 8.203 13.362 ( 10.843 1.040 0.000) 10.893 13.561 ( -9.625 0.730 0.000) 9.652 15.440 ( 8.976 -1.262 0.000) 9.064 15.662 ( -13.892 0.511 0.000) 13.901 30.969 ( 8.362 -0.147 0.000) 8.363 31.099 ( -5.083 -0.786 0.000) 5.144 34.258 ( 4.551 -0.314 0.000) 4.562 34.352 ( -5.176 -0.743 0.000) 5.229 77.088 ( 1.202 2.068 0.000) 2.392 77.125 ( -2.555 2.321 0.000) 3.451 ======================= Grid point 30 (17/240) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 22.893 0.000) 22.893 1.450 ( 0.000 32.266 0.000) 32.266 1.918 ( 0.000 40.929 0.000) 40.929 2.553 ( 0.000 -1.438 0.000) 1.438 3.582 ( 0.000 10.757 0.000) 10.757 4.569 ( 0.000 -4.095 0.000) 4.095 6.741 ( 0.000 -3.255 0.000) 3.255 7.593 ( 0.000 5.019 0.000) 5.019 8.221 ( 0.000 -17.042 0.000) 17.042 8.432 ( 0.000 -0.917 0.000) 0.917 10.068 ( 0.000 18.487 0.000) 18.487 11.316 ( 0.000 -3.000 0.000) 3.000 11.453 ( 0.000 0.500 0.000) 0.500 11.676 ( 0.000 -0.410 0.000) 0.410 13.086 ( 0.000 1.786 0.000) 1.786 14.152 ( 0.000 -8.963 0.000) 8.963 14.595 ( 0.000 1.175 0.000) 1.175 18.390 ( 0.000 -5.252 0.000) 5.252 29.661 ( 0.000 2.927 0.000) 2.927 30.383 ( 0.000 -1.312 0.000) 1.312 34.475 ( 0.000 0.688 0.000) 0.688 34.861 ( 0.000 -0.296 0.000) 0.296 77.593 ( 0.000 20.662 0.000) 20.662 81.306 ( 0.000 -17.200 0.000) 17.200 ======================= Grid point 31 (18/240) ======================= q-point: ( 0.07 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 17.578 21.234 0.000) 27.566 1.503 ( 5.439 29.606 0.000) 30.102 2.109 ( 20.333 33.337 0.000) 39.049 2.782 ( 22.114 -2.071 0.000) 22.211 3.576 ( -0.492 10.787 0.000) 10.798 4.533 ( -3.533 -4.410 0.000) 5.651 6.741 ( 0.086 -3.845 0.000) 3.846 7.551 ( -3.708 7.161 0.000) 8.064 8.368 ( 12.317 -18.665 0.000) 22.363 8.618 ( 17.909 -5.180 0.000) 18.643 10.026 ( -3.884 18.253 0.000) 18.661 11.184 ( -11.634 0.877 0.000) 11.667 11.465 ( 0.215 -0.076 0.000) 0.228 11.760 ( 9.992 -0.904 0.000) 10.033 13.083 ( -1.311 2.252 0.000) 2.606 14.187 ( 1.453 -9.458 0.000) 9.569 14.680 ( 8.312 -4.975 0.000) 9.687 18.203 ( -17.597 -1.335 0.000) 17.647 29.712 ( 5.139 2.866 0.000) 5.884 30.491 ( 9.642 -4.974 0.000) 10.850 34.408 ( -5.936 3.350 0.000) 6.816 34.844 ( -1.738 -0.413 0.000) 1.787 77.570 ( -2.312 19.953 0.000) 20.087 80.533 ( -66.111 12.371 0.000) 67.259 ======================= Grid point 32 (19/240) ======================= q-point: ( 0.13 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 14.396 20.044 0.000) 24.678 1.656 ( 10.184 23.396 0.000) 25.517 2.660 ( 33.049 17.630 0.000) 37.458 3.326 ( 31.962 -3.218 0.000) 32.124 3.580 ( 2.090 11.001 0.000) 11.198 4.441 ( -5.737 -5.388 0.000) 7.871 6.748 ( 0.707 -5.260 0.000) 5.307 7.465 ( -4.994 6.252 0.000) 8.002 8.631 ( 13.897 -16.023 0.000) 21.210 9.014 ( 20.410 -8.606 0.000) 22.150 9.946 ( -3.583 17.763 0.000) 18.121 10.961 ( -9.199 4.877 0.000) 10.412 11.481 ( 1.621 -0.362 0.000) 1.661 12.016 ( 14.794 -1.274 0.000) 14.849 13.019 ( -5.090 3.383 0.000) 6.111 14.166 ( -3.360 -7.073 0.000) 7.830 14.853 ( 7.928 -13.367 0.000) 15.541 17.787 ( -23.918 2.468 0.000) 24.045 29.854 ( 9.361 2.699 0.000) 9.742 30.696 ( 10.512 -8.223 0.000) 13.346 34.288 ( -5.707 5.735 0.000) 8.091 34.796 ( -3.129 -0.753 0.000) 3.218 77.508 ( -4.007 17.924 0.000) 18.367 79.266 ( -57.967 33.090 0.000) 66.747 ======================= Grid point 33 (20/240) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 11.938 15.970 0.000) 19.938 1.894 ( 12.764 14.975 0.000) 19.676 3.168 ( 13.130 5.661 0.000) 14.298 3.780 ( 23.085 11.480 0.000) 25.782 3.928 ( 25.852 -3.461 0.000) 26.083 4.341 ( -1.416 -7.426 0.000) 7.560 6.771 ( 1.701 -6.818 0.000) 7.027 7.366 ( -4.999 2.179 0.000) 5.453 8.868 ( 9.816 -12.405 0.000) 15.819 9.334 ( 11.113 -7.577 0.000) 13.450 9.922 ( 2.122 17.275 0.000) 17.405 10.878 ( 0.930 7.046 0.000) 7.107 11.524 ( 2.662 -0.834 0.000) 2.790 12.283 ( 11.665 1.065 0.000) 11.714 12.910 ( -5.291 3.442 0.000) 6.312 14.074 ( -5.810 -5.551 0.000) 8.035 14.965 ( 3.894 -14.662 0.000) 15.170 17.312 ( -24.701 2.694 0.000) 24.847 30.064 ( 12.140 2.399 0.000) 12.375 30.879 ( 8.264 -7.788 0.000) 11.355 34.200 ( -3.316 5.250 0.000) 6.209 34.724 ( -4.256 -1.147 0.000) 4.408 77.421 ( -4.851 14.910 0.000) 15.679 78.360 ( -36.465 27.921 0.000) 45.927 ======================= Grid point 34 (21/240) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 12.377 10.129 0.000) 15.993 2.127 ( 11.179 7.865 0.000) 13.668 3.232 ( -2.095 2.601 0.000) 3.340 4.013 ( -8.949 -4.474 0.000) 10.005 4.374 ( 32.240 5.751 0.000) 32.749 4.655 ( 26.087 -8.977 0.000) 27.589 6.816 ( 2.991 -7.925 0.000) 8.470 7.280 ( -3.707 -2.480 0.000) 4.460 9.000 ( 4.029 -8.076 0.000) 9.026 9.432 ( 0.240 -6.817 0.000) 6.822 10.040 ( 9.339 14.659 0.000) 17.381 10.970 ( 6.974 9.204 0.000) 11.548 11.583 ( 3.462 -0.832 0.000) 3.561 12.417 ( 1.169 4.166 0.000) 4.327 12.866 ( 2.148 2.440 0.000) 3.251 13.953 ( -6.450 -4.641 0.000) 7.946 15.027 ( 3.122 -12.212 0.000) 12.605 16.842 ( -23.748 1.993 0.000) 23.832 30.312 ( 13.198 1.963 0.000) 13.344 31.014 ( 5.677 -6.014 0.000) 8.270 34.159 ( -1.063 3.640 0.000) 3.792 34.634 ( -5.035 -1.479 0.000) 5.248 77.325 ( -4.944 11.464 0.000) 12.485 77.807 ( -21.913 17.714 0.000) 28.177 ======================= Grid point 35 (22/240) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 9.439 1.424 0.000) 9.546 2.342 ( 12.235 5.411 0.000) 13.378 3.156 ( -5.076 0.102 0.000) 5.077 3.787 ( -13.386 -4.721 0.000) 14.194 4.945 ( 25.757 -0.650 0.000) 25.765 5.119 ( 20.697 -10.066 0.000) 23.015 6.887 ( 4.397 -8.220 0.000) 9.322 7.225 ( -2.034 -5.928 0.000) 6.267 9.045 ( 1.396 -6.063 0.000) 6.221 9.395 ( -3.310 -7.675 0.000) 8.359 10.251 ( 11.910 12.231 0.000) 17.072 11.079 ( 2.944 11.131 0.000) 11.514 11.657 ( 4.209 -0.064 0.000) 4.209 12.352 ( -6.364 4.708 0.000) 7.916 12.984 ( 8.891 2.470 0.000) 9.227 13.832 ( -5.939 -3.311 0.000) 6.799 15.102 ( 4.946 -8.168 0.000) 9.549 16.400 ( -21.717 1.649 0.000) 21.779 30.564 ( 12.568 1.394 0.000) 12.645 31.096 ( 2.819 -4.165 0.000) 5.029 34.157 ( 0.825 1.959 0.000) 2.125 34.532 ( -5.387 -1.659 0.000) 5.637 77.235 ( -4.258 8.123 0.000) 9.172 77.478 ( -12.853 9.768 0.000) 16.143 ======================= Grid point 36 (23/240) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 7.981 -3.240 0.000) 8.614 2.572 ( 10.939 0.970 0.000) 10.982 3.054 ( -4.782 -2.077 0.000) 5.214 3.514 ( -14.529 -4.116 0.000) 15.101 5.350 ( 15.871 -5.929 0.000) 16.943 5.439 ( 12.195 -11.068 0.000) 16.468 6.982 ( 5.232 -7.901 0.000) 9.476 7.193 ( -1.558 -7.419 0.000) 7.581 9.077 ( 2.266 -6.977 0.000) 7.336 9.318 ( -4.467 -9.129 0.000) 10.163 10.488 ( 12.413 11.226 0.000) 16.736 11.065 ( -4.276 11.654 0.000) 12.414 11.749 ( 5.475 1.198 0.000) 5.604 12.204 ( -8.559 4.270 0.000) 9.565 13.182 ( 11.032 2.418 0.000) 11.294 13.717 ( -6.265 -1.232 0.000) 6.385 15.226 ( 7.995 -3.993 0.000) 8.936 16.007 ( -18.802 1.525 0.000) 18.864 30.789 ( 10.533 0.685 0.000) 10.555 31.120 ( -0.451 -2.567 0.000) 2.607 34.189 ( 2.425 0.538 0.000) 2.483 34.428 ( -5.277 -1.601 0.000) 5.515 77.168 ( -2.413 5.258 0.000) 5.785 77.288 ( -7.216 5.124 0.000) 8.851 ======================= Grid point 37 (24/240) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 6.497 -5.610 0.000) 8.584 2.708 ( 0.893 -4.286 0.000) 4.378 3.037 ( 5.395 -1.806 0.000) 5.689 3.239 ( -13.396 -2.782 0.000) 13.682 5.560 ( 6.040 -9.572 0.000) 11.318 5.588 ( 3.154 -11.089 0.000) 11.529 7.080 ( 4.616 -7.592 0.000) 8.886 7.153 ( -2.837 -7.589 0.000) 8.102 9.139 ( 4.042 -8.784 0.000) 9.670 9.226 ( -4.834 -9.678 0.000) 10.818 10.723 ( 11.655 10.979 0.000) 16.012 10.929 ( -9.264 11.254 0.000) 14.576 11.874 ( 7.444 2.497 0.000) 7.852 12.033 ( -8.810 3.548 0.000) 9.498 13.394 ( 10.536 1.941 0.000) 10.713 13.578 ( -8.333 0.749 0.000) 8.366 15.415 ( 11.647 -0.810 0.000) 11.676 15.677 ( -15.352 0.940 0.000) 15.381 30.965 ( 7.520 -0.186 0.000) 7.522 31.077 ( -4.009 -1.254 0.000) 4.201 34.249 ( 3.739 -0.534 0.000) 3.777 34.331 ( -4.712 -1.241 0.000) 4.873 77.148 ( 0.416 3.433 0.000) 3.458 77.186 ( -3.535 3.247 0.000) 4.800 ======================= Grid point 45 (25/240) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.000 17.808 0.000) 17.808 2.086 ( 0.000 28.025 0.000) 28.025 2.512 ( 0.000 -2.552 0.000) 2.552 2.682 ( 0.000 30.908 0.000) 30.908 3.771 ( 0.000 6.314 0.000) 6.314 4.486 ( 0.000 -3.387 0.000) 3.387 6.664 ( 0.000 -3.776 0.000) 3.776 7.705 ( 0.000 5.388 0.000) 5.388 7.891 ( 0.000 -14.021 0.000) 14.021 8.410 ( 0.000 -1.194 0.000) 1.194 10.444 ( 0.000 16.875 0.000) 16.875 11.254 ( 0.000 -2.733 0.000) 2.733 11.452 ( 0.000 -0.724 0.000) 0.724 11.663 ( 0.000 -0.738 0.000) 0.738 13.144 ( 0.000 3.873 0.000) 3.873 13.942 ( 0.000 -10.781 0.000) 10.781 14.612 ( 0.000 0.477 0.000) 0.477 18.276 ( 0.000 -5.265 0.000) 5.265 29.727 ( 0.000 3.152 0.000) 3.152 30.353 ( 0.000 -1.534 0.000) 1.534 34.490 ( 0.000 0.731 0.000) 0.731 34.854 ( 0.000 -0.347 0.000) 0.347 78.107 ( 0.000 27.757 0.000) 27.757 80.867 ( 0.000 -24.318 0.000) 24.318 ======================= Grid point 46 (26/240) ======================= q-point: ( 0.07 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 17.467 17.182 0.000) 24.502 2.098 ( 1.526 26.651 0.000) 26.695 2.709 ( 15.251 5.127 0.000) 16.090 2.771 ( 13.401 18.372 0.000) 22.740 3.770 ( 0.082 6.700 0.000) 6.701 4.443 ( -4.265 -3.560 0.000) 5.556 6.653 ( -1.078 -4.280 0.000) 4.414 7.664 ( -4.278 2.739 0.000) 5.080 8.011 ( 11.671 -12.652 0.000) 17.213 8.578 ( 16.207 -0.957 0.000) 16.236 10.408 ( -3.429 17.444 0.000) 17.778 11.171 ( -7.831 -1.603 0.000) 7.993 11.455 ( 0.237 -0.982 0.000) 1.011 11.741 ( 8.591 -0.875 0.000) 8.635 13.154 ( 0.037 4.588 0.000) 4.589 13.960 ( 1.439 -11.678 0.000) 11.767 14.624 ( 1.292 -1.350 0.000) 1.868 18.138 ( -13.610 -3.938 0.000) 14.168 29.776 ( 5.022 3.104 0.000) 5.904 30.415 ( 6.030 -2.723 0.000) 6.616 34.456 ( -3.324 1.569 0.000) 3.676 34.834 ( -2.010 -0.464 0.000) 2.063 78.063 ( -4.417 26.467 0.000) 26.833 80.476 ( -37.051 -13.491 0.000) 39.431 ======================= Grid point 47 (27/240) ======================= q-point: ( 0.13 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 13.311 18.943 0.000) 23.152 2.154 ( 4.584 23.303 0.000) 23.750 2.977 ( 16.094 10.469 0.000) 19.199 3.262 ( 30.784 -1.619 0.000) 30.826 3.793 ( 3.416 7.475 0.000) 8.219 4.332 ( -6.929 -3.877 0.000) 7.940 6.629 ( -1.195 -5.717 0.000) 5.841 7.550 ( -7.149 1.424 0.000) 7.290 8.290 ( 15.832 -12.695 0.000) 20.293 8.960 ( 20.804 -0.179 0.000) 20.804 10.332 ( -3.604 18.089 0.000) 18.444 11.015 ( -6.468 0.541 0.000) 6.490 11.469 ( 1.250 -1.017 0.000) 1.611 11.979 ( 14.987 -1.830 0.000) 15.098 13.116 ( -4.048 5.863 0.000) 7.125 13.973 ( -0.577 -10.796 0.000) 10.811 14.661 ( 2.418 -5.767 0.000) 6.253 17.785 ( -21.829 -1.754 0.000) 21.899 29.915 ( 9.132 2.976 0.000) 9.605 30.565 ( 8.890 -4.638 0.000) 10.027 34.376 ( -4.603 2.911 0.000) 5.447 34.779 ( -3.596 -0.820 0.000) 3.688 77.943 ( -7.755 22.959 0.000) 24.234 79.617 ( -47.316 3.004 0.000) 47.411 ======================= Grid point 48 (28/240) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 5.905 16.722 0.000) 17.734 2.273 ( 6.113 19.777 0.000) 20.701 3.234 ( 7.085 -0.116 0.000) 7.086 3.852 ( 24.680 -2.201 0.000) 24.777 3.966 ( 16.242 0.114 0.000) 16.243 4.216 ( -0.977 0.006 0.000) 0.977 6.613 ( -0.376 -7.818 0.000) 7.827 7.399 ( -8.125 0.852 0.000) 8.170 8.583 ( 13.641 -11.877 0.000) 18.087 9.286 ( 10.883 0.338 0.000) 10.888 10.301 ( 1.081 17.847 0.000) 17.879 10.974 ( 2.920 2.144 0.000) 3.623 11.504 ( 2.393 -1.124 0.000) 2.644 12.277 ( 14.586 -1.133 0.000) 14.630 13.012 ( -5.872 6.021 0.000) 8.410 13.932 ( -3.588 -7.720 0.000) 8.513 14.716 ( 3.463 -8.822 0.000) 9.477 17.330 ( -24.522 -0.611 0.000) 24.529 30.120 ( 11.757 2.741 0.000) 12.073 30.740 ( 8.846 -5.397 0.000) 10.363 34.290 ( -3.994 3.328 0.000) 5.199 34.698 ( -4.719 -1.282 0.000) 4.890 77.774 ( -9.438 18.146 0.000) 20.454 78.760 ( -39.814 9.996 0.000) 41.050 ======================= Grid point 49 (29/240) ======================= q-point: ( 0.27 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 5.002 11.028 0.000) 12.110 2.371 ( 4.579 14.085 0.000) 14.811 3.249 ( -3.845 -1.480 0.000) 4.120 3.871 ( -10.183 -9.431 0.000) 13.879 4.456 ( 25.947 -1.697 0.000) 26.002 4.511 ( 24.008 -0.363 0.000) 24.010 6.621 ( 1.395 -10.047 0.000) 10.143 7.249 ( -7.067 -0.375 0.000) 7.077 8.796 ( 8.148 -9.429 0.000) 12.462 9.365 ( -1.480 -0.852 0.000) 1.708 10.377 ( 6.273 16.236 0.000) 17.405 11.109 ( 9.391 3.639 0.000) 10.071 11.562 ( 3.709 -0.951 0.000) 3.829 12.478 ( 4.276 1.653 0.000) 4.585 12.945 ( 0.861 4.826 0.000) 4.902 13.846 ( -4.921 -5.276 0.000) 7.215 14.806 ( 6.089 -8.371 0.000) 10.351 16.859 ( -23.796 -0.206 0.000) 23.797 30.359 ( 12.638 2.344 0.000) 12.854 30.896 ( 7.153 -4.950 0.000) 8.699 34.227 ( -2.490 2.750 0.000) 3.709 34.600 ( -5.354 -1.669 0.000) 5.608 77.589 ( -9.478 13.109 0.000) 16.177 78.100 ( -28.388 9.473 0.000) 29.927 ======================= Grid point 50 (30/240) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 2.378 4.623 0.000) 5.199 2.476 ( 6.123 7.127 0.000) 9.396 3.132 ( -7.386 -2.554 0.000) 7.816 3.641 ( -12.868 -9.264 0.000) 15.856 4.907 ( 20.194 -3.880 0.000) 20.564 4.940 ( 18.991 -5.320 0.000) 19.722 6.672 ( 3.914 -11.589 0.000) 12.232 7.133 ( -4.946 -2.642 0.000) 5.607 8.901 ( 3.153 -6.696 0.000) 7.401 9.284 ( -5.842 -3.263 0.000) 6.692 10.529 ( 9.260 13.418 0.000) 16.303 11.260 ( 4.612 5.439 0.000) 7.132 11.649 ( 5.321 -0.368 0.000) 5.334 12.439 ( -6.413 3.189 0.000) 7.162 13.057 ( 9.101 4.367 0.000) 10.095 13.757 ( -4.087 -3.679 0.000) 5.499 14.956 ( 9.336 -5.425 0.000) 10.798 16.420 ( -21.377 0.313 0.000) 21.379 30.598 ( 11.818 1.745 0.000) 11.946 31.010 ( 4.463 -3.867 0.000) 5.905 34.196 ( -0.701 1.668 0.000) 1.810 34.494 ( -5.456 -1.850 0.000) 5.761 77.417 ( -8.103 8.748 0.000) 11.924 77.654 ( -18.130 6.479 0.000) 19.253 ======================= Grid point 51 (31/240) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 2.557 -2.250 0.000) 3.406 2.583 ( 3.979 -0.121 0.000) 3.981 2.998 ( -5.111 -2.985 0.000) 5.919 3.390 ( -12.739 -7.574 0.000) 14.821 5.218 ( 11.765 -6.396 0.000) 13.391 5.232 ( 11.274 -7.700 0.000) 13.653 6.768 ( 5.800 -11.779 0.000) 13.129 7.053 ( -3.658 -5.642 0.000) 6.724 8.941 ( 1.578 -5.494 0.000) 5.716 9.165 ( -6.096 -5.407 0.000) 8.148 10.725 ( 10.784 10.883 0.000) 15.321 11.264 ( -3.892 6.823 0.000) 7.855 11.769 ( 7.082 0.765 0.000) 7.123 12.284 ( -9.048 2.926 0.000) 9.510 13.251 ( 10.331 4.045 0.000) 11.095 13.683 ( -3.924 -1.948 0.000) 4.380 15.163 ( 11.918 -1.890 0.000) 12.067 16.035 ( -18.490 1.093 0.000) 18.523 30.807 ( 9.584 0.930 0.000) 9.629 31.065 ( 1.090 -2.569 0.000) 2.790 34.200 ( 1.095 0.491 0.000) 1.200 34.392 ( -5.018 -1.741 0.000) 5.311 77.285 ( -5.278 5.494 0.000) 7.618 77.385 ( -10.067 3.837 0.000) 10.774 ======================= Grid point 52 (32/240) ======================= q-point: ( 0.47 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 4.426 -7.082 0.000) 8.351 2.585 ( -3.664 -7.220 0.000) 8.096 2.996 ( 5.250 -1.923 0.000) 5.591 3.160 ( -10.711 -4.578 0.000) 11.648 5.368 ( 3.980 -8.079 0.000) 9.006 5.374 ( 3.408 -8.544 0.000) 9.199 6.882 ( 5.668 -10.664 0.000) 12.076 6.979 ( -4.257 -8.534 0.000) 9.537 8.981 ( 2.908 -5.829 0.000) 6.514 9.057 ( -4.874 -6.210 0.000) 7.894 10.937 ( 10.836 9.096 0.000) 14.147 11.133 ( -9.016 7.862 0.000) 11.963 11.923 ( 8.711 1.888 0.000) 8.913 12.101 ( -9.563 2.547 0.000) 9.897 13.441 ( 8.977 2.429 0.000) 9.300 13.588 ( -6.164 0.209 0.000) 6.168 15.413 ( 13.959 0.630 0.000) 13.973 15.702 ( -15.982 1.494 0.000) 16.052 30.962 ( 6.369 -0.087 0.000) 6.369 31.050 ( -2.655 -1.273 0.000) 2.944 34.237 ( 2.735 -0.542 0.000) 2.789 34.304 ( -4.082 -1.304 0.000) 4.285 77.222 ( -0.998 3.415 0.000) 3.558 77.251 ( -4.048 2.767 0.000) 4.903 ======================= Grid point 60 (33/240) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.000 11.024 0.000) 11.024 2.449 ( 0.000 -3.135 0.000) 3.135 2.605 ( 0.000 20.589 0.000) 20.589 3.155 ( 0.000 12.600 0.000) 12.600 3.851 ( 0.000 2.730 0.000) 2.730 4.434 ( 0.000 -1.830 0.000) 1.830 6.596 ( 0.000 -2.501 0.000) 2.501 7.652 ( 0.000 -8.262 0.000) 8.262 7.804 ( 0.000 3.621 0.000) 3.621 8.386 ( 0.000 -0.984 0.000) 0.984 10.752 ( 0.000 11.716 0.000) 11.716 11.208 ( 0.000 -1.587 0.000) 1.587 11.420 ( 0.000 -2.223 0.000) 2.223 11.648 ( 0.000 -0.589 0.000) 0.589 13.251 ( 0.000 6.106 0.000) 6.106 13.714 ( 0.000 -10.429 0.000) 10.429 14.617 ( 0.000 0.098 0.000) 0.098 18.183 ( 0.000 -3.263 0.000) 3.263 29.784 ( 0.000 2.123 0.000) 2.123 30.324 ( 0.000 -1.122 0.000) 1.122 34.503 ( 0.000 0.477 0.000) 0.477 34.848 ( 0.000 -0.244 0.000) 0.244 78.722 ( 0.000 29.486 0.000) 29.486 80.312 ( 0.000 -27.372 0.000) 27.372 ======================= Grid point 61 (34/240) ======================= q-point: ( 0.07 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 17.592 10.698 0.000) 20.589 2.583 ( 2.618 15.644 0.000) 15.861 2.667 ( 16.086 0.902 0.000) 16.112 3.163 ( 1.321 10.866 0.000) 10.946 3.846 ( -0.522 1.545 0.000) 1.630 4.400 ( -3.264 -0.726 0.000) 3.343 6.575 ( -1.998 -2.818 0.000) 3.454 7.614 ( -3.490 -5.680 0.000) 6.667 7.903 ( 9.441 0.570 0.000) 9.459 8.560 ( 16.866 -0.753 0.000) 16.883 10.729 ( -2.292 12.450 0.000) 12.659 11.130 ( -7.141 -2.140 0.000) 7.454 11.422 ( 0.413 -1.961 0.000) 2.004 11.726 ( 8.078 -0.496 0.000) 8.093 13.279 ( 1.644 7.327 0.000) 7.509 13.712 ( 0.236 -11.645 0.000) 11.647 14.606 ( -1.091 -0.516 0.000) 1.207 18.063 ( -12.048 -2.810 0.000) 12.372 29.833 ( 4.960 2.109 0.000) 5.389 30.370 ( 4.629 -1.534 0.000) 4.876 34.480 ( -2.348 0.757 0.000) 2.467 34.826 ( -2.237 -0.323 0.000) 2.261 78.645 ( -7.769 27.623 0.000) 28.694 80.078 ( -23.042 -22.329 0.000) 32.086 ======================= Grid point 62 (35/240) ======================= q-point: ( 0.13 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 17.255 13.084 0.000) 21.655 2.598 ( 1.369 17.874 0.000) 17.926 3.025 ( 11.622 -3.586 0.000) 12.163 3.312 ( 20.174 4.003 0.000) 20.568 3.830 ( -1.244 -3.124 0.000) 3.363 4.328 ( -3.277 2.872 0.000) 4.358 6.525 ( -3.015 -3.828 0.000) 4.873 7.525 ( -5.570 -2.807 0.000) 6.237 8.136 ( 13.913 -2.814 0.000) 14.194 8.960 ( 21.938 0.025 0.000) 21.938 10.670 ( -3.323 13.478 0.000) 13.882 10.993 ( -5.344 -2.542 0.000) 5.917 11.439 ( 1.410 -1.576 0.000) 2.114 11.950 ( 14.481 -0.849 0.000) 14.506 13.261 ( -4.067 7.659 0.000) 8.672 13.738 ( 2.260 -10.991 0.000) 11.221 14.583 ( -0.916 -2.099 0.000) 2.290 17.741 ( -20.410 -1.923 0.000) 20.501 29.970 ( 9.014 2.075 0.000) 9.249 30.492 ( 7.653 -2.357 0.000) 8.007 34.419 ( -3.779 1.312 0.000) 4.000 34.764 ( -4.022 -0.564 0.000) 4.062 78.436 ( -13.329 22.799 0.000) 26.410 79.497 ( -34.729 -12.017 0.000) 36.749 ======================= Grid point 63 (36/240) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 1.557 14.807 0.000) 14.888 2.678 ( 3.762 17.667 0.000) 18.063 3.153 ( 4.294 -7.217 0.000) 8.398 3.777 ( -4.292 -9.993 0.000) 10.876 3.848 ( 29.317 -1.448 0.000) 29.353 4.334 ( 5.676 6.311 0.000) 8.488 6.467 ( -2.730 -5.445 0.000) 6.091 7.401 ( -7.147 -0.447 0.000) 7.161 8.411 ( 13.794 -4.637 0.000) 14.552 9.300 ( 10.811 0.638 0.000) 10.830 10.636 ( 0.623 13.534 0.000) 13.548 10.967 ( 3.288 -2.739 0.000) 4.279 11.480 ( 2.908 -0.976 0.000) 3.067 12.254 ( 15.819 -0.825 0.000) 15.840 13.142 ( -7.125 5.668 0.000) 9.105 13.771 ( 0.400 -6.902 0.000) 6.914 14.589 ( 2.072 -3.636 0.000) 4.185 17.306 ( -23.855 -1.257 0.000) 23.888 30.172 ( 11.521 1.997 0.000) 11.693 30.652 ( 8.579 -2.916 0.000) 9.061 34.342 ( -3.971 1.636 0.000) 4.295 34.674 ( -5.167 -0.901 0.000) 5.245 78.150 ( -15.674 16.720 0.000) 22.918 78.812 ( -34.576 -3.644 0.000) 34.767 ======================= Grid point 64 (37/240) ======================= q-point: ( 0.27 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -0.406 11.053 0.000) 11.061 2.678 ( -2.565 14.089 0.000) 14.321 3.169 ( -3.010 -5.466 0.000) 6.240 3.626 ( -10.100 -12.848 0.000) 16.342 4.396 ( 25.896 -1.470 0.000) 25.938 4.557 ( 15.790 1.842 0.000) 15.897 6.430 ( -0.723 -7.181 0.000) 7.218 7.255 ( -7.802 0.590 0.000) 7.824 8.646 ( 10.074 -4.601 0.000) 11.075 9.360 ( -3.274 -0.024 0.000) 3.274 10.687 ( 4.010 12.735 0.000) 13.351 11.112 ( 10.230 -3.142 0.000) 10.701 11.554 ( 4.728 0.189 0.000) 4.731 12.496 ( 6.842 0.309 0.000) 6.849 13.046 ( -0.594 4.110 0.000) 4.152 13.746 ( -2.648 -3.813 0.000) 4.642 14.681 ( 7.609 -3.691 0.000) 8.457 16.845 ( -23.277 -0.815 0.000) 23.292 30.404 ( 12.204 1.803 0.000) 12.337 30.812 ( 7.708 -2.933 0.000) 8.247 34.272 ( -3.144 1.507 0.000) 3.487 34.568 ( -5.647 -1.189 0.000) 5.771 77.849 ( -15.064 10.978 0.000) 18.639 78.201 ( -28.036 0.561 0.000) 28.042 ======================= Grid point 65 (38/240) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -4.405 7.127 0.000) 8.379 2.625 ( -2.438 6.098 0.000) 6.567 3.060 ( -7.100 -3.461 0.000) 7.899 3.416 ( -11.010 -11.179 0.000) 15.690 4.827 ( 18.329 -2.041 0.000) 18.442 4.872 ( 15.501 -2.627 0.000) 15.722 6.450 ( 2.856 -8.420 0.000) 8.891 7.105 ( -7.655 -0.421 0.000) 7.667 8.793 ( 5.120 -3.423 0.000) 6.159 9.238 ( -7.995 -1.380 0.000) 8.113 10.786 ( 6.287 10.408 0.000) 12.160 11.289 ( 6.585 -2.198 0.000) 6.942 11.659 ( 5.950 1.176 0.000) 6.065 12.483 ( -6.316 1.177 0.000) 6.425 13.149 ( 9.345 3.756 0.000) 10.071 13.689 ( -2.816 -2.527 0.000) 3.783 14.878 ( 12.368 -2.178 0.000) 12.559 16.420 ( -20.486 -0.206 0.000) 20.487 30.633 ( 11.140 1.422 0.000) 11.230 30.942 ( 5.478 -2.481 0.000) 6.014 34.224 ( -1.681 1.012 0.000) 1.962 34.460 ( -5.484 -1.308 0.000) 5.638 77.582 ( -12.280 6.526 0.000) 13.907 77.740 ( -19.556 1.768 0.000) 19.636 ======================= Grid point 66 (39/240) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -4.805 1.059 0.000) 4.920 2.554 ( -5.667 -2.828 0.000) 6.334 2.952 ( -2.717 -0.855 0.000) 2.849 3.218 ( -9.233 -7.942 0.000) 12.179 5.100 ( 10.190 -3.986 0.000) 10.942 5.126 ( 10.030 -3.149 0.000) 10.512 6.539 ( 6.171 -8.774 0.000) 10.727 6.960 ( -7.327 -3.095 0.000) 7.954 8.858 ( 2.129 -2.443 0.000) 3.241 9.084 ( -7.336 -2.434 0.000) 7.729 10.929 ( 8.287 8.012 0.000) 11.527 11.339 ( -1.391 0.579 0.000) 1.507 11.786 ( 7.431 0.874 0.000) 7.482 12.322 ( -9.465 0.871 0.000) 9.505 13.336 ( 9.150 3.582 0.000) 9.826 13.642 ( -2.248 -1.755 0.000) 2.852 15.143 ( 14.694 -0.216 0.000) 14.695 16.053 ( -17.506 0.663 0.000) 17.519 30.826 ( 8.665 0.825 0.000) 8.704 31.018 ( 2.293 -1.733 0.000) 2.874 34.209 ( 0.081 0.347 0.000) 0.356 34.360 ( -4.733 -1.199 0.000) 4.882 77.384 ( -7.960 3.656 0.000) 8.759 77.443 ( -11.291 1.634 0.000) 11.409 ======================= Grid point 67 (40/240) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 380 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 0.174 -4.795 0.000) 4.798 2.427 ( -6.027 -6.989 0.000) 9.229 2.964 ( 3.370 -0.990 0.000) 3.513 3.063 ( -6.687 -4.115 0.000) 7.852 5.235 ( 3.866 -4.331 0.000) 5.806 5.248 ( 2.658 -3.668 0.000) 4.530 6.674 ( 7.458 -8.041 0.000) 10.967 6.819 ( -7.371 -6.047 0.000) 9.534 8.897 ( 2.447 -2.362 0.000) 3.401 8.966 ( -4.820 -2.670 0.000) 5.510 11.096 ( 8.757 5.854 0.000) 10.533 11.253 ( -6.898 3.524 0.000) 7.746 11.948 ( 9.120 0.527 0.000) 9.135 12.133 ( -9.867 0.576 0.000) 9.884 13.489 ( 6.517 1.946 0.000) 6.802 13.587 ( -3.732 -0.235 0.000) 3.739 15.435 ( 15.295 1.115 0.000) 15.336 15.734 ( -15.784 1.321 0.000) 15.839 30.962 ( 5.258 0.043 0.000) 5.258 31.027 ( -1.438 -0.847 0.000) 1.669 34.228 ( 1.875 -0.317 0.000) 1.902 34.280 ( -3.484 -0.857 0.000) 3.588 77.282 ( -2.405 2.096 0.000) 3.190 77.296 ( -4.013 1.488 0.000) 4.280 ======================= Grid point 75 (41/240) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 -0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 7.844 ( 0.000 0.000 0.000) 0.000 8.374 ( 0.000 0.000 0.000) 0.000 10.888 ( 0.000 0.000 0.000) 0.000 11.191 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.642 ( 0.000 0.000 0.000) 0.000 13.351 ( 0.000 0.000 0.000) 0.000 13.566 ( 0.000 -0.000 0.000) 0.000 14.618 ( 0.000 0.000 0.000) 0.000 18.148 ( 0.000 0.000 0.000) 0.000 29.808 ( 0.000 0.000 0.000) 0.000 30.311 ( 0.000 0.000 0.000) 0.000 34.509 ( 0.000 0.000 0.000) 0.000 34.845 ( 0.000 0.000 0.000) 0.000 79.154 ( 0.000 0.000 0.000) 0.000 79.903 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 77 (42/240) ======================= q-point: ( 0.07 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 17.612 0.000 0.000) 17.612 2.604 ( 18.520 -0.000 0.000) 18.520 2.848 ( -1.210 0.000 0.000) 1.210 3.240 ( 0.336 0.000 0.000) 0.336 3.867 ( -3.185 0.000 0.000) 3.185 4.395 ( -1.351 -0.000 0.000) 1.351 6.544 ( -2.371 0.000 0.000) 2.371 7.543 ( -1.970 0.000 0.000) 1.970 7.920 ( 7.539 0.000 0.000) 7.539 8.551 ( 17.164 0.000 0.000) 17.164 10.879 ( -0.860 0.000 0.000) 0.860 11.097 ( -8.516 0.000 0.000) 8.516 11.395 ( 0.803 0.000 0.000) 0.803 11.721 ( 8.057 0.000 0.000) 8.057 13.426 ( 6.902 0.000 0.000) 6.902 13.518 ( -4.867 -0.000 0.000) 4.867 14.601 ( -1.697 0.000 0.000) 1.697 18.032 ( -11.636 0.000 0.000) 11.636 29.857 ( 4.950 0.000 0.000) 4.950 30.353 ( 4.243 0.000 0.000) 4.243 34.488 ( -2.088 0.000 0.000) 2.088 34.822 ( -2.330 0.000 0.000) 2.330 79.046 ( -10.846 0.000 0.000) 10.846 79.731 ( -17.146 0.000 0.000) 17.146 ======================= Grid point 79 (43/240) ======================= q-point: ( 0.13 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 21.708 0.000 0.000) 21.708 2.821 ( -1.004 0.000 0.000) 1.004 2.956 ( 10.242 -0.000 0.000) 10.242 3.348 ( 16.454 0.000 0.000) 16.454 3.776 ( -6.211 0.000 0.000) 6.211 4.371 ( -0.530 0.000 0.000) 0.530 6.483 ( -3.810 0.000 0.000) 3.810 7.487 ( -3.814 0.000 0.000) 3.814 8.116 ( 12.191 0.000 0.000) 12.191 8.960 ( 22.480 0.000 0.000) 22.480 10.859 ( -0.993 0.000 0.000) 0.993 10.923 ( -7.649 0.000 0.000) 7.649 11.419 ( 1.762 0.000 0.000) 1.762 11.942 ( 14.287 0.000 0.000) 14.287 13.386 ( -8.421 0.000 0.000) 8.421 13.576 ( 7.554 -0.000 0.000) 7.554 14.562 ( -1.839 0.000 0.000) 1.839 17.719 ( -19.965 0.000 0.000) 19.965 29.994 ( 8.998 0.000 0.000) 8.998 30.467 ( 7.225 0.000 0.000) 7.225 34.432 ( -3.502 0.000 0.000) 3.502 34.758 ( -4.202 0.000 0.000) 4.202 78.759 ( -18.073 0.000 0.000) 18.073 79.285 ( -27.594 0.000 0.000) 27.594 ======================= Grid point 81 (44/240) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -0.954 0.000 0.000) 0.954 2.955 ( 13.346 0.000 0.000) 13.346 2.975 ( -4.062 -0.000 0.000) 4.062 3.625 ( -8.434 0.000 0.000) 8.434 3.845 ( 28.818 0.000 0.000) 28.818 4.405 ( 4.863 0.000 0.000) 4.863 6.406 ( -3.765 0.000 0.000) 3.765 7.394 ( -5.833 0.000 0.000) 5.833 8.367 ( 13.105 0.000 0.000) 13.105 9.307 ( 10.854 0.000 0.000) 10.854 10.846 ( -0.207 -0.000 0.000) 0.207 10.872 ( 3.535 0.000 0.000) 3.535 11.469 ( 3.572 0.000 0.000) 3.572 12.245 ( 16.076 0.000 0.000) 16.076 13.212 ( -8.903 0.000 0.000) 8.903 13.687 ( 3.396 0.000 0.000) 3.396 14.552 ( 1.536 0.000 0.000) 1.536 17.291 ( -23.572 0.000 0.000) 23.572 30.194 ( 11.467 0.000 0.000) 11.467 30.621 ( 8.392 0.000 0.000) 8.392 34.359 ( -3.898 0.000 0.000) 3.898 34.664 ( -5.365 0.000 0.000) 5.365 78.378 ( -20.474 0.000 0.000) 20.474 78.719 ( -29.599 0.000 0.000) 29.599 ======================= Grid point 83 (45/240) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -2.842 0.000 0.000) 2.842 2.856 ( -7.982 0.000 0.000) 7.982 3.094 ( 0.737 -0.000 0.000) 0.737 3.443 ( -9.834 0.000 0.000) 9.834 4.385 ( 25.727 0.000 0.000) 25.727 4.576 ( 12.315 0.000 0.000) 12.315 6.351 ( -1.624 0.000 0.000) 1.624 7.263 ( -7.648 0.000 0.000) 7.648 8.600 ( 10.423 0.000 0.000) 10.423 9.360 ( -3.957 0.000 0.000) 3.957 10.858 ( 1.630 0.000 0.000) 1.630 11.038 ( 11.527 0.000 0.000) 11.527 11.559 ( 5.638 0.000 0.000) 5.638 12.499 ( 7.637 0.000 0.000) 7.637 13.093 ( -1.331 0.000 0.000) 1.331 13.703 ( -1.331 0.000 0.000) 1.331 14.644 ( 8.076 0.000 0.000) 8.076 16.835 ( -22.997 0.000 0.000) 22.997 30.425 ( 12.056 0.000 0.000) 12.056 30.780 ( 7.818 0.000 0.000) 7.818 34.288 ( -3.316 0.000 0.000) 3.316 34.555 ( -5.776 0.000 0.000) 5.776 77.992 ( -18.934 0.000 0.000) 18.934 78.178 ( -25.592 0.000 0.000) 25.592 ======================= Grid point 85 (46/240) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -5.547 0.000 0.000) 5.547 2.672 ( -10.768 -0.000 0.000) 10.768 3.032 ( -5.171 -0.000 0.000) 5.171 3.261 ( -8.677 0.000 0.000) 8.677 4.816 ( 18.534 0.000 0.000) 18.534 4.835 ( 13.262 0.000 0.000) 13.262 6.356 ( 2.369 0.000 0.000) 2.369 7.102 ( -8.825 0.000 0.000) 8.825 8.758 ( 5.827 0.000 0.000) 5.827 9.223 ( -8.712 0.000 0.000) 8.712 10.915 ( 4.383 0.000 0.000) 4.383 11.240 ( 8.166 0.000 0.000) 8.166 11.676 ( 6.120 0.000 0.000) 6.120 12.494 ( -6.322 0.000 0.000) 6.322 13.192 ( 9.532 0.000 0.000) 9.532 13.661 ( -2.428 0.000 0.000) 2.428 14.856 ( 13.434 0.000 0.000) 13.434 16.417 ( -20.017 0.000 0.000) 20.017 30.649 ( 10.859 0.000 0.000) 10.859 30.914 ( 5.821 0.000 0.000) 5.821 34.235 ( -2.015 0.000 0.000) 2.015 34.445 ( -5.488 0.000 0.000) 5.488 77.662 ( -14.875 0.000 0.000) 14.875 77.747 ( -18.768 0.000 0.000) 18.768 ======================= Grid point 87 (47/240) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -10.121 0.000 0.000) 10.121 2.485 ( -8.905 -0.000 0.000) 8.905 2.956 ( -1.959 -0.000 0.000) 1.959 3.115 ( -6.381 0.000 0.000) 6.381 5.058 ( 9.352 0.000 0.000) 9.352 5.094 ( 10.127 0.000 0.000) 10.127 6.441 ( 6.231 0.000 0.000) 6.231 6.927 ( -9.176 0.000 0.000) 9.176 8.833 ( 2.454 0.000 0.000) 2.454 9.059 ( -7.672 0.000 0.000) 7.672 11.025 ( 6.729 0.000 0.000) 6.729 11.331 ( 0.980 0.000 0.000) 0.980 11.798 ( 6.893 0.000 0.000) 6.893 12.329 ( -9.735 0.000 0.000) 9.735 13.378 ( 8.658 0.000 0.000) 8.658 13.621 ( -1.733 0.000 0.000) 1.733 15.143 ( 15.680 0.000 0.000) 15.680 16.061 ( -16.971 0.000 0.000) 16.971 30.836 ( 8.250 0.000 0.000) 8.250 30.998 ( 2.778 0.000 0.000) 2.778 34.213 ( -0.308 0.000 0.000) 0.308 34.347 ( -4.595 0.000 0.000) 4.595 77.426 ( -9.376 0.000 0.000) 9.376 77.457 ( -11.218 0.000 0.000) 11.218 ======================= Grid point 89 (48/240) ======================= q-point: ( 0.47 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -3.696 0.000 0.000) 3.696 2.336 ( -5.153 -0.000 0.000) 5.153 2.956 ( 1.665 0.000 0.000) 1.665 3.013 ( -4.122 0.000 0.000) 4.122 5.190 ( 4.168 0.000 0.000) 4.168 5.211 ( 2.213 0.000 0.000) 2.213 6.584 ( 8.225 0.000 0.000) 8.225 6.751 ( -8.925 0.000 0.000) 8.925 8.874 ( 2.291 0.000 0.000) 2.291 8.939 ( -4.693 0.000 0.000) 4.693 11.163 ( 7.216 0.000 0.000) 7.216 11.286 ( -4.963 0.000 0.000) 4.963 11.951 ( 8.936 0.000 0.000) 8.936 12.136 ( -9.978 0.000 0.000) 9.978 13.512 ( 5.157 -0.000 0.000) 5.157 13.583 ( -2.490 0.000 0.000) 2.490 15.448 ( 15.711 0.000 0.000) 15.711 15.749 ( -15.569 0.000 0.000) 15.569 30.963 ( 4.747 0.000 0.000) 4.747 31.017 ( -0.899 0.000 0.000) 0.899 34.224 ( 1.518 0.000 0.000) 1.518 34.271 ( -3.219 0.000 0.000) 3.219 77.305 ( -3.045 0.000 0.000) 3.045 77.312 ( -3.857 0.000 0.000) 3.857 ======================= Grid point 165 (49/240) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.000 0.000 25.739) 25.739 0.721 ( 0.000 0.000 34.062) 34.062 1.049 ( 0.000 0.000 49.591) 49.591 2.555 ( 0.000 0.000 -2.479) 2.479 3.365 ( 0.000 0.000 -2.648) 2.648 4.646 ( 0.000 0.000 -1.899) 1.899 7.218 ( 0.000 0.000 5.206) 5.206 7.516 ( 0.000 0.000 3.945) 3.945 8.311 ( 0.000 0.000 -3.831) 3.831 8.435 ( 0.000 0.000 -1.629) 1.629 10.030 ( 0.000 0.000 5.943) 5.943 10.755 ( 0.000 0.000 0.024) 0.024 11.395 ( 0.000 0.000 0.122) 0.122 11.663 ( 0.000 0.000 -1.554) 1.554 13.073 ( 0.000 0.000 -0.340) 0.340 13.848 ( 0.000 0.000 -3.795) 3.795 16.783 ( 0.000 0.000 0.439) 0.439 17.713 ( 0.000 0.000 -4.721) 4.721 29.621 ( 0.000 0.000 2.710) 2.710 30.392 ( 0.000 0.000 -2.043) 2.043 34.007 ( 0.000 0.000 3.427) 3.427 35.123 ( 0.000 0.000 -3.408) 3.408 77.411 ( 0.000 0.000 3.743) 3.743 78.703 ( 0.000 0.000 -4.281) 4.281 ======================= Grid point 166 (50/240) ======================= q-point: ( 0.07 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 15.784 0.000 23.326) 28.165 0.905 ( 16.838 0.000 26.165) 31.115 1.426 ( 39.985 0.000 29.706) 49.812 2.795 ( 23.150 0.000 -2.861) 23.326 3.326 ( -1.986 0.000 0.656) 2.092 4.623 ( -2.342 0.000 -1.633) 2.856 7.081 ( -14.411 0.000 15.958) 21.502 7.227 ( 0.932 0.000 4.548) 4.642 8.542 ( 10.333 0.000 -1.270) 10.411 8.961 ( 26.389 0.000 -28.565) 38.889 10.050 ( 1.271 0.000 2.682) 2.968 10.660 ( -8.186 0.000 0.531) 8.203 11.441 ( 3.853 0.000 -0.318) 3.866 11.759 ( 8.624 0.000 -2.452) 8.966 13.045 ( -2.776 0.000 -0.045) 2.776 13.977 ( 8.109 0.000 -13.501) 15.749 16.332 ( -28.457 0.000 26.288) 38.741 17.636 ( -7.835 0.000 -4.638) 9.105 29.672 ( 5.202 0.000 2.650) 5.838 30.696 ( 17.882 0.000 -17.114) 24.752 34.010 ( 0.340 0.000 3.374) 3.391 34.983 ( -8.827 0.000 3.444) 9.474 77.400 ( -1.135 0.000 3.640) 3.813 77.945 ( -42.024 0.000 34.586) 54.426 ======================= Grid point 167 (51/240) ======================= q-point: ( 0.13 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 18.997 0.000 14.249) 23.747 1.289 ( 21.386 0.000 16.588) 27.065 2.313 ( 47.125 0.000 14.925) 49.432 3.318 ( 1.700 0.000 1.306) 2.143 3.357 ( 32.285 0.000 -4.417) 32.586 4.564 ( -3.221 0.000 -0.251) 3.231 6.962 ( -1.078 0.000 8.066) 8.137 7.257 ( 2.232 0.000 3.106) 3.825 8.789 ( 13.707 0.000 -0.529) 13.717 9.241 ( 7.141 0.000 -18.323) 19.665 10.062 ( 0.151 0.000 2.033) 2.038 10.506 ( -6.226 0.000 1.018) 6.308 11.523 ( 4.430 0.000 1.236) 4.600 11.946 ( 9.802 0.000 -4.205) 10.666 12.972 ( -4.538 0.000 0.769) 4.603 14.062 ( 0.743 0.000 -14.816) 14.834 15.920 ( -15.321 0.000 23.365) 27.940 17.417 ( -14.472 0.000 -4.378) 15.120 29.816 ( 9.544 0.000 2.459) 9.856 30.936 ( 8.299 0.000 -12.528) 15.028 34.021 ( 0.789 0.000 3.222) 3.317 34.851 ( -5.385 0.000 1.906) 5.712 77.369 ( -2.029 0.000 3.382) 3.944 77.429 ( -15.384 0.000 23.140) 27.787 ======================= Grid point 168 (52/240) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 19.197 0.000 7.121) 20.475 1.697 ( 20.328 0.000 10.707) 22.975 3.038 ( 18.263 0.000 5.012) 18.938 3.532 ( 29.069 0.000 5.843) 29.651 3.912 ( 19.679 0.000 -8.867) 21.584 4.565 ( 7.505 0.000 4.323) 8.661 6.977 ( 1.918 0.000 4.737) 5.110 7.311 ( 3.155 0.000 1.605) 3.540 9.015 ( 8.628 0.000 0.537) 8.645 9.336 ( 3.820 0.000 -13.403) 13.937 10.066 ( 0.448 0.000 3.574) 3.602 10.459 ( 1.550 0.000 0.233) 1.567 11.605 ( 3.883 0.000 3.567) 5.273 12.117 ( 7.575 0.000 -5.599) 9.419 12.884 ( -4.080 0.000 1.637) 4.396 14.026 ( -3.910 0.000 -12.937) 13.515 15.685 ( -9.840 0.000 15.393) 18.269 17.090 ( -18.955 0.000 -3.897) 19.351 30.031 ( 12.403 0.000 2.117) 12.582 31.059 ( 4.866 0.000 -7.633) 9.052 34.042 ( 1.409 0.000 2.992) 3.307 34.756 ( -4.664 0.000 0.157) 4.666 77.232 ( -6.543 0.000 12.523) 14.129 77.324 ( -2.555 0.000 3.088) 4.008 ======================= Grid point 169 (53/240) ======================= q-point: ( 0.27 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 17.878 0.000 3.283) 18.177 2.063 ( 17.310 0.000 6.970) 18.661 3.154 ( 0.812 0.000 1.313) 1.544 4.000 ( -6.193 0.000 -8.166) 10.249 4.280 ( 40.459 0.000 6.714) 41.012 4.938 ( 26.116 0.000 4.237) 26.457 7.024 ( 2.825 0.000 3.507) 4.503 7.370 ( 2.695 0.000 0.512) 2.743 9.124 ( 3.601 0.000 1.643) 3.958 9.408 ( 3.765 0.000 -12.114) 12.685 10.087 ( 1.881 0.000 4.521) 4.897 10.538 ( 5.254 0.000 -1.951) 5.605 11.672 ( 3.066 0.000 5.690) 6.464 12.223 ( 2.861 0.000 -4.665) 5.473 12.840 ( 0.379 0.000 0.870) 0.949 13.926 ( -6.217 0.000 -11.603) 13.164 15.525 ( -6.816 0.000 9.890) 12.011 16.702 ( -20.759 0.000 -3.133) 20.994 30.285 ( 13.514 0.000 1.615) 13.610 31.134 ( 2.936 0.000 -4.925) 5.734 34.077 ( 2.187 0.000 2.701) 3.475 34.665 ( -4.848 0.000 -0.395) 4.864 77.143 ( -3.154 0.000 7.495) 8.132 77.272 ( -2.725 0.000 2.875) 3.961 ======================= Grid point 170 (54/240) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 16.411 0.000 0.933) 16.437 2.363 ( 13.767 0.000 4.284) 14.418 3.146 ( -1.239 0.000 1.305) 1.800 3.809 ( -12.249 0.000 -5.336) 13.361 4.997 ( 32.841 0.000 5.071) 33.230 5.422 ( 22.260 0.000 2.562) 22.407 7.087 ( 3.709 0.000 3.008) 4.776 7.404 ( 0.671 0.000 0.217) 0.706 9.190 ( 3.847 0.000 1.639) 4.182 9.476 ( 2.992 0.000 -11.319) 11.708 10.142 ( 3.868 0.000 3.766) 5.398 10.613 ( 1.747 0.000 -4.217) 4.565 11.728 ( 2.918 0.000 6.927) 7.516 12.218 ( -3.139 0.000 -0.676) 3.211 12.914 ( 6.985 0.000 -2.418) 7.392 13.792 ( -7.481 0.000 -10.465) 12.864 15.425 ( -3.332 0.000 6.356) 7.177 16.304 ( -19.886 0.000 -2.052) 19.991 30.543 ( 12.953 0.000 0.974) 12.990 31.170 ( 0.788 0.000 -3.321) 3.414 34.127 ( 3.047 0.000 2.345) 3.845 34.568 ( -5.113 0.000 -0.266) 5.120 77.101 ( -1.251 0.000 5.157) 5.307 77.220 ( -2.623 0.000 2.805) 3.841 ======================= Grid point 171 (55/240) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 14.443 0.000 -1.070) 14.483 2.595 ( 10.139 0.000 2.041) 10.343 3.114 ( -1.784 0.000 1.996) 2.677 3.551 ( -13.991 0.000 -2.993) 14.307 5.529 ( 21.851 0.000 3.680) 22.159 5.767 ( 13.011 0.000 2.009) 13.166 7.168 ( 4.577 0.000 2.716) 5.322 7.393 ( -1.785 0.000 0.740) 1.932 9.283 ( 5.599 0.000 0.151) 5.601 9.511 ( 0.324 0.000 -9.161) 9.167 10.237 ( 5.946 0.000 1.000) 6.029 10.597 ( -3.237 0.000 -5.363) 6.264 11.792 ( 3.873 0.000 6.972) 7.976 12.123 ( -6.099 0.000 2.658) 6.653 13.085 ( 9.938 0.000 -5.038) 11.142 13.639 ( -8.405 0.000 -9.186) 12.451 15.403 ( 1.322 0.000 4.018) 4.229 15.947 ( -16.793 0.000 -0.707) 16.808 30.777 ( 11.044 0.000 0.240) 11.047 31.160 ( -1.920 0.000 -2.224) 2.938 34.194 ( 3.876 0.000 1.910) 4.322 34.468 ( -5.197 0.000 0.198) 5.201 77.091 ( 0.099 0.000 4.028) 4.029 77.172 ( -2.320 0.000 2.883) 3.701 ======================= Grid point 172 (56/240) ======================= q-point: ( 0.47 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 5.282 0.000 -0.354) 5.293 2.749 ( 6.763 0.000 -2.648) 7.263 3.112 ( 3.495 0.000 2.678) 4.403 3.285 ( -12.805 0.000 -0.243) 12.807 5.836 ( 9.903 0.000 2.659) 10.254 5.913 ( 1.904 0.000 2.080) 2.820 7.258 ( 4.622 0.000 2.299) 5.162 7.340 ( -3.619 0.000 1.595) 3.955 9.395 ( 5.575 0.000 -2.470) 6.098 9.483 ( -3.207 0.000 -5.797) 6.625 10.366 ( 7.134 0.000 -2.459) 7.546 10.501 ( -6.365 0.000 -4.802) 7.974 11.882 ( 5.423 0.000 6.078) 8.145 11.998 ( -6.485 0.000 4.663) 7.987 13.280 ( 10.036 0.000 -6.584) 12.003 13.468 ( -9.277 0.000 -7.862) 12.160 15.481 ( 6.759 0.000 2.287) 7.135 15.665 ( -12.175 0.000 0.764) 12.199 30.965 ( 8.245 0.000 -0.537) 8.262 31.093 ( -5.050 0.000 -1.343) 5.225 34.276 ( 4.561 0.000 1.386) 4.767 34.369 ( -5.016 0.000 0.792) 5.078 77.103 ( 1.104 0.000 3.436) 3.609 77.132 ( -1.827 0.000 3.090) 3.590 ======================= Grid point 180 (57/240) ======================= q-point: ( 0.00 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.000 15.762 15.336) 21.992 0.773 ( 0.000 18.019 16.674) 24.551 1.577 ( 0.000 34.414 37.609) 50.978 2.549 ( 0.000 -0.557 -2.430) 2.494 3.386 ( 0.000 4.264 -1.079) 4.398 4.641 ( 0.000 -1.109 -0.662) 1.292 6.998 ( 0.000 -9.596 13.378) 16.464 7.545 ( 0.000 2.668 3.640) 4.513 8.395 ( 0.000 -3.592 -11.064) 11.633 8.429 ( 0.000 -0.565 -1.713) 1.804 9.891 ( 0.000 2.285 13.047) 13.245 11.081 ( 0.000 13.814 -17.041) 21.937 11.374 ( 0.000 -1.934 0.243) 1.949 11.664 ( 0.000 0.066 -1.464) 1.465 13.070 ( 0.000 0.217 0.047) 0.222 13.863 ( 0.000 -0.556 -11.009) 11.023 15.788 ( 0.000 -39.068 50.042) 63.486 18.164 ( 0.000 10.330 -21.943) 24.253 29.638 ( 0.000 1.624 2.601) 3.067 30.385 ( 0.000 -0.691 -1.999) 2.115 34.229 ( 0.000 11.489 -7.820) 13.898 35.004 ( 0.000 -6.895 2.758) 7.426 77.348 ( 0.000 6.956 7.481) 10.215 80.162 ( 0.000 60.230 -72.427) 94.199 ======================= Grid point 181 (58/240) ======================= q-point: ( 0.07 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 13.910 12.346 11.086) 21.652 1.107 ( 23.309 14.590 15.137) 31.390 1.792 ( 24.604 27.965 28.958) 47.180 2.786 ( 22.765 -0.911 -2.798) 22.954 3.376 ( -0.630 5.221 -0.662) 5.301 4.609 ( -2.993 -1.480 -0.426) 3.366 6.954 ( -2.799 -5.638 11.645) 13.237 7.412 ( -6.287 9.752 4.365) 12.397 8.517 ( 10.726 -2.674 -2.836) 11.412 8.802 ( 24.743 -14.852 -17.566) 33.784 9.878 ( -1.117 -0.259 12.125) 12.179 10.931 ( -11.969 12.826 -10.159) 20.272 11.425 ( 3.519 -1.350 -1.167) 3.946 11.757 ( 9.139 -0.346 -2.129) 9.390 13.050 ( -2.365 0.731 -0.163) 2.481 13.946 ( 5.748 -3.441 -15.276) 16.680 15.750 ( -3.644 -30.525 41.665) 51.778 17.946 ( -18.370 12.469 -14.017) 26.257 29.689 ( 5.175 1.604 2.541) 5.984 30.573 ( 14.548 -7.273 -7.292) 17.825 34.184 ( -3.578 10.659 -3.611) 11.809 34.934 ( -5.407 -3.522 3.106) 7.162 77.333 ( -1.551 6.857 7.302) 10.136 79.257 ( -65.523 70.682 -22.534) 98.980 ======================= Grid point 182 (59/240) ======================= q-point: ( 0.13 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 18.927 7.321 5.310) 20.977 1.491 ( 17.643 15.121 16.260) 28.361 2.473 ( 40.513 13.684 14.479) 45.146 3.336 ( 29.800 -1.014 -3.324) 30.002 3.385 ( 4.253 5.315 -0.763) 6.850 4.540 ( -3.673 -2.236 0.573) 4.338 6.929 ( 0.122 -2.816 8.075) 8.553 7.344 ( -1.545 6.807 2.761) 7.506 8.771 ( 13.987 -2.159 -1.526) 14.234 9.161 ( 12.654 -10.508 -17.785) 24.225 9.864 ( 0.176 -4.758 11.165) 12.138 10.717 ( -8.674 11.448 -4.961) 15.196 11.497 ( 4.077 -1.939 0.529) 4.545 11.968 ( 11.376 1.183 -4.368) 12.243 12.979 ( -4.634 1.008 0.636) 4.785 14.009 ( 0.439 -5.029 -15.984) 16.762 15.657 ( -5.734 -18.544 28.214) 34.246 17.563 ( -20.465 8.963 -7.661) 23.619 29.833 ( 9.463 1.511 2.377) 9.873 30.822 ( 10.437 -8.602 -8.094) 15.762 34.124 ( -2.249 7.712 0.651) 8.060 34.835 ( -4.736 -1.351 1.309) 5.096 77.292 ( -2.553 6.581 6.745) 9.764 78.249 ( -37.093 51.331 2.797) 63.393 ======================= Grid point 183 (60/240) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 18.800 4.157 2.131) 19.371 1.821 ( 16.509 10.715 12.678) 23.411 3.089 ( 14.686 4.240 3.558) 15.695 3.614 ( 28.867 7.462 5.366) 30.294 3.895 ( 20.414 -1.512 -8.177) 22.042 4.525 ( 6.070 -3.752 4.682) 8.535 6.948 ( 1.662 -2.778 5.769) 6.615 7.334 ( 0.256 1.959 1.474) 2.465 9.000 ( 8.676 -1.963 -0.136) 8.896 9.330 ( 5.691 -2.900 -15.602) 16.858 9.900 ( 3.751 -6.195 10.268) 12.565 10.628 ( -0.314 10.408 -3.750) 11.068 11.581 ( 4.451 -1.870 2.990) 5.679 12.162 ( 8.148 3.303 -5.879) 10.577 12.889 ( -4.087 0.806 1.721) 4.507 13.973 ( -3.732 -4.985 -14.239) 15.541 15.539 ( -6.163 -11.746 18.523) 22.782 17.158 ( -21.444 4.915 -5.266) 22.622 30.046 ( 12.285 1.337 2.077) 12.531 30.984 ( 6.661 -6.237 -6.006) 10.925 34.100 ( -0.365 4.771 2.024) 5.196 34.746 ( -4.589 -0.935 -0.068) 4.684 77.239 ( -2.873 6.113 5.871) 8.950 77.736 ( -18.483 29.505 4.651) 35.126 ======================= Grid point 184 (61/240) ======================= q-point: ( 0.27 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 17.362 2.300 0.567) 17.523 2.124 ( 14.579 5.848 8.854) 18.032 3.176 ( -0.157 1.783 0.266) 1.809 3.993 ( -5.949 -0.655 -7.226) 9.383 4.323 ( 37.989 3.890 6.111) 38.673 4.874 ( 25.257 -5.909 4.451) 26.318 6.989 ( 2.535 -3.275 4.265) 5.945 7.346 ( 0.783 -2.189 0.807) 2.461 9.107 ( 3.114 -1.943 1.093) 3.830 9.406 ( 2.604 -1.827 -13.165) 13.544 9.999 ( 6.148 -2.837 7.949) 10.442 10.680 ( 4.337 10.020 -4.950) 11.988 11.665 ( 4.139 -0.605 5.616) 7.003 12.266 ( 2.314 3.703 -5.042) 6.670 12.849 ( 0.574 0.893 1.013) 1.468 13.880 ( -5.622 -4.282 -12.637) 14.479 15.430 ( -4.790 -7.984 12.239) 15.378 16.738 ( -21.730 2.834 -3.853) 22.250 30.296 ( 13.368 1.103 1.625) 13.512 31.087 ( 4.115 -4.070 -4.203) 7.153 34.108 ( 1.113 2.687 2.268) 3.688 34.655 ( -4.878 -0.937 -0.473) 4.990 77.184 ( -2.645 5.307 4.915) 7.702 77.469 ( -10.190 15.757 3.746) 19.135 ======================= Grid point 185 (62/240) ======================= q-point: ( 0.33 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 15.868 0.995 -0.394) 15.904 2.380 ( 11.889 1.947 5.576) 13.276 3.149 ( -2.222 0.088 0.430) 2.265 3.805 ( -12.145 -0.483 -4.236) 12.872 4.996 ( 30.642 -0.193 4.628) 30.990 5.343 ( 21.560 -7.142 2.804) 22.885 7.048 ( 3.629 -3.598 3.267) 6.065 7.356 ( 0.077 -4.408 0.709) 4.465 9.154 ( 2.487 -3.192 1.190) 4.218 9.439 ( 0.863 -4.296 -10.455) 11.336 10.133 ( 7.587 1.932 4.498) 9.029 10.745 ( 1.542 10.136 -6.474) 12.125 11.737 ( 3.375 0.830 7.139) 7.940 12.254 ( -3.233 3.217 -0.919) 4.652 12.923 ( 6.809 0.873 -2.464) 7.294 13.763 ( -6.408 -2.782 -11.056) 13.078 15.365 ( -1.760 -5.150 8.034) 9.704 16.329 ( -20.329 1.934 -2.495) 20.572 30.552 ( 12.777 0.815 1.037) 12.845 31.143 ( 1.577 -2.496 -2.910) 4.146 34.141 ( 2.351 1.265 2.126) 3.413 34.558 ( -5.128 -0.990 -0.292) 5.230 77.140 ( -1.854 4.004 4.100) 6.024 77.316 ( -6.111 8.033 3.210) 10.592 ======================= Grid point 186 (63/240) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 13.752 -0.273 -1.411) 13.827 2.583 ( 9.029 -0.733 2.533) 9.406 3.100 ( -2.415 -1.333 1.409) 3.098 3.549 ( -13.840 -0.305 -1.900) 13.973 5.488 ( 19.980 -3.771 3.443) 20.623 5.678 ( 12.673 -8.021 2.287) 15.172 7.129 ( 4.604 -3.692 2.637) 6.464 7.343 ( -1.477 -4.605 1.095) 4.959 9.216 ( 3.986 -5.552 -0.074) 6.835 9.437 ( -1.224 -6.840 -7.418) 10.164 10.290 ( 8.596 5.814 0.382) 10.385 10.726 ( -3.429 10.253 -6.689) 12.713 11.802 ( 3.533 1.068 6.725) 7.671 12.161 ( -5.854 3.310 3.020) 7.372 13.091 ( 9.939 0.663 -5.279) 11.274 13.631 ( -7.313 -0.794 -9.412) 11.946 15.371 ( 2.592 -2.739 5.044) 6.298 15.963 ( -17.191 1.383 -0.922) 17.271 30.782 ( 10.824 0.460 0.353) 10.840 31.145 ( -1.372 -1.370 -1.933) 2.738 34.197 ( 3.414 0.285 1.795) 3.868 34.458 ( -5.142 -0.958 0.184) 5.234 77.116 ( -0.548 2.553 3.484) 4.354 77.221 ( -3.885 4.144 3.118) 6.479 ======================= Grid point 187 (64/240) ======================= q-point: ( 0.47 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 4.980 -2.776 -0.408) 5.716 2.737 ( 5.752 -1.313 -2.398) 6.369 3.093 ( 3.236 -1.670 2.140) 4.224 3.289 ( -12.067 0.189 0.936) 12.105 5.765 ( 8.608 -6.513 2.653) 11.115 5.824 ( 2.347 -7.970 2.269) 8.613 7.218 ( 4.323 -3.965 2.039) 6.211 7.299 ( -3.038 -3.775 1.797) 5.168 9.300 ( 4.141 -7.755 -2.635) 9.177 9.393 ( -2.979 -7.816 -4.020) 9.280 10.457 ( 8.261 8.240 -3.749) 12.256 10.623 ( -6.672 9.857 -4.998) 12.909 11.875 ( 3.555 0.216 4.651) 5.858 12.049 ( -4.752 3.953 6.209) 8.761 13.286 ( 9.813 0.625 -7.005) 12.073 13.477 ( -8.521 0.759 -7.798) 11.576 15.469 ( 7.542 -0.907 2.622) 8.036 15.673 ( -12.630 0.687 0.972) 12.686 30.964 ( 7.932 -0.004 -0.393) 7.941 31.087 ( -4.633 -0.546 -1.099) 4.793 34.272 ( 4.266 -0.373 1.326) 4.483 34.361 ( -4.854 -0.767 0.768) 4.974 77.118 ( 0.647 1.607 2.902) 3.380 77.162 ( -2.075 2.578 3.415) 4.755 ======================= Grid point 195 (65/240) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 19.634 8.459) 21.378 1.248 ( 0.000 29.539 -8.461) 30.727 2.307 ( 0.000 33.393 27.167) 43.048 2.530 ( 0.000 -1.345 -2.283) 2.650 3.533 ( 0.000 8.420 -4.394) 9.497 4.606 ( 0.000 -1.806 2.942) 3.453 6.870 ( 0.000 -4.100 11.147) 11.877 7.622 ( 0.000 4.519 2.826) 5.330 8.176 ( 0.000 -13.918 -4.050) 14.496 8.412 ( 0.000 -1.068 -1.943) 2.217 10.103 ( 0.000 14.344 3.272) 14.713 11.254 ( 0.000 4.449 -14.686) 15.345 11.322 ( 0.000 -2.751 0.622) 2.820 11.662 ( 0.000 -0.300 -1.268) 1.303 13.087 ( 0.000 1.259 -0.125) 1.265 13.789 ( 0.000 -6.062 -16.689) 17.756 15.299 ( 0.000 -12.892 42.329) 44.249 18.215 ( 0.000 -2.244 -15.335) 15.498 29.685 ( 0.000 2.747 2.307) 3.587 30.364 ( 0.000 -1.236 -1.875) 2.246 34.390 ( 0.000 4.768 -5.349) 7.165 34.898 ( 0.000 -3.406 1.422) 3.691 77.648 ( 0.000 20.080 5.220) 20.747 80.749 ( 0.000 4.944 -43.870) 44.148 ======================= Grid point 196 (66/240) ======================= q-point: ( 0.07 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 7.406 24.313 -4.015) 25.731 1.467 ( 21.112 19.078 5.273) 28.940 2.414 ( 12.252 28.873 22.689) 38.711 2.758 ( 21.900 -1.533 -2.135) 22.057 3.531 ( -0.014 8.693 -3.897) 9.527 4.567 ( -3.668 -2.075 2.924) 5.129 6.860 ( -0.692 -3.880 10.429) 11.149 7.580 ( -3.965 6.483 2.673) 8.055 8.323 ( 13.108 -16.114 -4.177) 21.188 8.581 ( 16.051 -3.235 -3.154) 16.675 10.061 ( -3.771 13.997 3.283) 14.863 11.102 ( -11.082 4.455 -8.300) 14.544 11.392 ( 3.426 -1.641 -3.416) 5.108 11.743 ( 8.675 -0.928 -1.778) 8.904 13.081 ( -1.254 2.172 -0.229) 2.518 13.824 ( 2.738 -7.823 -17.931) 19.754 15.311 ( 0.895 -13.240 38.793) 41.000 18.055 ( -15.296 0.009 -13.163) 20.180 29.735 ( 5.099 2.702 2.270) 6.201 30.459 ( 8.780 -3.887 -2.853) 10.017 34.351 ( -3.603 5.402 -3.686) 7.467 34.868 ( -2.795 -2.574 0.971) 3.922 77.623 ( -2.466 19.381 5.070) 20.184 80.182 ( -50.220 19.834 -28.709) 61.153 ======================= Grid point 197 (67/240) ======================= q-point: ( 0.13 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 11.849 18.364 -5.243) 22.475 1.851 ( 16.319 18.267 11.572) 27.091 2.800 ( 25.530 15.416 11.304) 31.894 3.292 ( 30.921 -2.733 -3.302) 31.217 3.555 ( 4.012 10.139 -1.541) 11.013 4.479 ( -5.086 -3.248 3.352) 6.903 6.852 ( -0.012 -4.386 9.276) 10.261 7.485 ( -5.453 5.847 1.890) 8.216 8.608 ( 15.037 -14.917 -2.352) 21.311 8.941 ( 18.699 -4.518 -6.181) 20.206 9.987 ( -2.992 12.895 3.614) 13.722 10.899 ( -8.418 6.091 -5.685) 11.844 11.456 ( 3.607 -1.992 -1.480) 4.378 11.969 ( 13.433 -1.033 -4.135) 14.093 13.026 ( -4.321 3.493 0.598) 5.588 13.857 ( 0.078 -9.183 -18.408) 20.571 15.316 ( -0.771 -12.992 30.965) 33.590 17.683 ( -21.964 2.238 -9.523) 24.044 29.876 ( 9.280 2.572 2.165) 9.870 30.654 ( 10.403 -6.690 -3.758) 12.926 34.272 ( -4.059 5.767 -0.925) 7.112 34.802 ( -3.911 -1.691 0.012) 4.261 77.556 ( -4.278 17.387 4.658) 18.501 79.161 ( -49.514 30.776 -9.250) 59.029 ======================= Grid point 198 (68/240) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 13.704 11.453 -4.753) 18.481 2.109 ( 11.199 16.001 12.977) 23.449 3.176 ( 8.355 2.993 -0.513) 8.889 3.802 ( 24.524 6.601 0.476) 25.401 3.873 ( 24.229 2.493 -1.856) 24.428 4.415 ( 1.814 -6.356 6.010) 8.934 6.860 ( 0.847 -5.556 8.023) 9.796 7.380 ( -5.208 2.164 1.287) 5.784 8.864 ( 10.641 -11.936 -0.677) 16.005 9.231 ( 10.043 -2.661 -8.522) 13.437 9.978 ( 2.661 11.394 4.434) 12.513 10.816 ( 0.172 7.286 -5.382) 9.060 11.538 ( 4.910 -2.240 1.321) 5.556 12.215 ( 10.852 1.223 -6.053) 12.486 12.933 ( -4.516 3.635 1.989) 6.129 13.826 ( -2.959 -8.661 -17.197) 19.481 15.282 ( -2.383 -11.459 23.185) 25.972 17.239 ( -23.413 2.197 -6.794) 24.477 30.085 ( 11.998 2.331 1.965) 12.379 30.841 ( 8.640 -6.661 -3.511) 11.461 34.207 ( -2.603 4.823 0.764) 5.534 34.720 ( -4.529 -1.505 -0.599) 4.810 77.464 ( -5.166 14.430 4.090) 15.863 78.355 ( -33.751 25.727 -0.652) 42.443 ======================= Grid point 199 (69/240) ======================= q-point: ( 0.27 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 13.794 5.770 -3.809) 15.429 2.302 ( 8.942 10.828 10.931) 17.796 3.206 ( -2.217 0.518 -2.753) 3.572 3.973 ( -6.028 -1.297 -3.467) 7.074 4.422 ( 31.713 4.939 4.686) 32.435 4.706 ( 23.879 -9.434 4.517) 26.069 6.886 ( 1.883 -6.642 6.341) 9.374 7.293 ( -3.605 -2.269 1.223) 4.431 9.008 ( 4.452 -8.176 0.444) 9.320 9.330 ( 1.239 -3.119 -8.653) 9.281 10.087 ( 7.954 10.161 3.714) 13.428 10.882 ( 5.217 8.598 -7.235) 12.389 11.645 ( 6.018 -1.374 4.950) 7.913 12.353 ( 2.892 3.953 -5.699) 7.514 12.886 ( 0.466 2.913 1.605) 3.359 13.756 ( -3.978 -7.182 -15.221) 17.294 15.241 ( -1.412 -9.061 16.740) 19.088 16.790 ( -22.760 1.627 -4.821) 23.321 30.329 ( 12.986 1.971 1.641) 13.237 30.984 ( 6.144 -5.264 -2.766) 8.550 34.174 ( -0.820 3.263 1.469) 3.671 34.627 ( -4.981 -1.607 -0.666) 5.276 77.362 ( -5.220 11.036 3.523) 12.707 77.831 ( -21.156 16.745 2.114) 27.064 ======================= Grid point 200 (70/240) ======================= q-point: ( 0.33 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 13.016 1.195 -2.629) 13.333 2.458 ( 7.218 5.382 7.458) 11.691 3.138 ( -4.327 -1.391 -1.781) 4.882 3.782 ( -12.160 -1.911 -0.531) 12.320 4.983 ( 25.279 -1.183 3.604) 25.562 5.150 ( 20.334 -10.328 2.925) 22.993 6.935 ( 3.253 -7.352 4.358) 9.144 7.242 ( -1.759 -5.548 1.575) 6.029 9.056 ( 1.199 -6.335 0.604) 6.476 9.318 ( -1.864 -5.648 -6.883) 9.096 10.265 ( 10.063 9.770 1.288) 14.085 10.963 ( 2.272 9.694 -8.934) 13.377 11.756 ( 5.007 0.699 7.630) 9.153 12.339 ( -3.446 4.512 -1.523) 5.878 12.957 ( 6.472 2.606 -2.378) 7.371 13.681 ( -3.777 -4.835 -12.679) 14.085 15.241 ( 1.621 -5.950 11.465) 13.018 16.367 ( -20.737 1.438 -3.072) 21.013 30.576 ( 12.295 1.487 1.191) 12.441 31.076 ( 3.252 -3.627 -1.962) 5.252 34.174 ( 0.840 1.700 1.645) 2.510 34.529 ( -5.159 -1.699 -0.355) 5.443 77.267 ( -4.455 7.732 3.085) 9.441 77.510 ( -12.661 9.479 2.901) 16.080 ======================= Grid point 201 (71/240) ======================= q-point: ( 0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 10.304 -2.995 -0.639) 10.749 2.587 ( 6.344 0.866 1.977) 6.701 3.058 ( -3.323 -2.641 0.449) 4.268 3.529 ( -13.515 -1.868 1.254) 13.701 5.380 ( 15.596 -6.218 2.915) 17.041 5.467 ( 12.154 -11.026 2.661) 16.625 7.010 ( 4.240 -7.840 2.558) 9.272 7.217 ( -1.141 -6.779 2.090) 7.185 9.078 ( 1.527 -7.137 -0.293) 7.305 9.268 ( -3.094 -7.924 -4.634) 9.686 10.467 ( 10.597 10.031 -1.633) 14.683 10.954 ( -3.253 10.342 -8.562) 13.815 11.837 ( 3.728 2.149 7.114) 8.314 12.245 ( -5.787 4.320 3.187) 7.894 13.119 ( 9.712 2.183 -5.790) 11.516 13.603 ( -4.652 -1.950 -10.169) 11.351 15.309 ( 5.510 -2.720 7.182) 9.452 15.995 ( -17.612 1.466 -1.138) 17.709 30.796 ( 10.213 0.860 0.640) 10.269 31.107 ( -0.060 -2.144 -1.216) 2.465 34.205 ( 2.299 0.380 1.519) 2.782 34.430 ( -4.979 -1.622 0.152) 5.239 77.197 ( -2.618 4.910 2.755) 6.209 77.323 ( -7.082 5.087 3.151) 9.272 ======================= Grid point 202 (72/240) ======================= q-point: ( 0.47 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 4.222 -5.519 -0.167) 6.951 2.687 ( 2.528 -3.693 -1.880) 4.854 3.051 ( 3.426 -2.044 1.793) 4.373 3.283 ( -10.734 -1.035 3.480) 11.331 5.587 ( 5.821 -9.803 2.572) 11.688 5.616 ( 3.286 -10.771 2.662) 11.572 7.085 ( 2.937 -8.633 0.933) 9.167 7.191 ( -1.353 -6.285 3.027) 7.106 9.119 ( 2.330 -8.683 -2.245) 9.267 9.206 ( -2.948 -8.923 -2.104) 9.631 10.666 ( 9.711 10.553 -4.783) 15.118 10.846 ( -7.434 10.348 -6.287) 14.208 11.906 ( 2.865 2.551 4.018) 5.555 12.139 ( -4.139 4.260 7.450) 9.528 13.308 ( 9.076 1.493 -7.872) 12.107 13.492 ( -6.672 0.484 -7.987) 10.419 15.455 ( 9.392 -0.246 3.519) 10.033 15.692 ( -13.508 1.129 1.377) 13.625 30.965 ( 7.101 0.055 -0.007) 7.101 31.072 ( -3.572 -0.896 -0.494) 3.716 34.261 ( 3.505 -0.620 1.180) 3.750 34.339 ( -4.415 -1.278 0.708) 4.651 77.169 ( -0.310 3.092 2.273) 3.851 77.227 ( -2.839 3.296 3.541) 5.609 ======================= Grid point 210 (73/240) ======================= q-point: ( 0.00 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.000 16.193 4.142) 16.714 1.866 ( 0.000 28.423 -14.745) 32.020 2.491 ( 0.000 -2.410 -2.033) 3.153 2.900 ( 0.000 20.830 13.200) 24.660 3.714 ( 0.000 9.431 -2.269) 9.700 4.578 ( 0.000 -0.946 7.541) 7.600 6.797 ( 0.000 -2.915 11.811) 12.165 7.724 ( 0.000 4.874 1.790) 5.192 7.886 ( 0.000 -12.879 -0.509) 12.889 8.386 ( 0.000 -1.365 -2.252) 2.634 10.415 ( 0.000 14.527 -2.766) 14.788 11.266 ( 0.000 -2.435 1.176) 2.704 11.306 ( 0.000 0.917 -12.406) 12.439 11.652 ( 0.000 -0.651 -1.073) 1.255 13.107 ( 0.000 0.023 -3.573) 3.573 13.646 ( 0.000 -6.440 -16.352) 17.575 15.121 ( 0.000 -5.439 34.744) 35.168 18.137 ( 0.000 -4.396 -12.760) 13.496 29.747 ( 0.000 2.959 1.923) 3.529 30.335 ( 0.000 -1.446 -1.702) 2.233 34.458 ( 0.000 2.103 -2.542) 3.299 34.848 ( 0.000 -1.647 -0.993) 1.923 78.152 ( 0.000 27.270 4.364) 27.617 80.610 ( 0.000 -15.243 -22.470) 27.152 ======================= Grid point 211 (74/240) ======================= q-point: ( 0.07 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 13.970 17.470 1.502) 22.419 1.921 ( 8.027 24.260 -10.659) 27.688 2.698 ( 19.571 -2.306 -1.991) 19.807 2.941 ( 4.901 17.183 10.569) 20.760 3.722 ( 1.069 9.907 -1.376) 10.059 4.534 ( -4.309 -1.062 7.526) 8.738 6.783 ( -1.331 -3.361 11.585) 12.136 7.680 ( -4.417 2.140 1.445) 5.116 8.012 ( 12.139 -11.222 0.090) 16.531 8.549 ( 15.623 -0.981 -2.778) 15.898 10.377 ( -3.587 15.020 -2.922) 15.716 11.147 ( -8.869 0.291 -3.802) 9.654 11.358 ( 2.617 -1.578 -6.551) 7.229 11.723 ( 7.704 -0.853 -1.620) 7.919 13.129 ( 1.239 1.768 -2.583) 3.366 13.646 ( 0.022 -8.200 -17.655) 19.467 15.120 ( -0.217 -6.088 33.587) 34.135 18.010 ( -12.607 -3.389 -11.827) 17.615 29.796 ( 5.013 2.925 1.915) 6.112 30.395 ( 5.868 -2.444 -1.876) 6.627 34.431 ( -2.680 2.517 -1.999) 4.185 34.826 ( -2.162 -1.527 -1.076) 2.857 78.107 ( -4.529 26.020 4.253) 26.752 80.274 ( -32.079 -7.470 -17.791) 37.435 ======================= Grid point 212 (75/240) ======================= q-point: ( 0.13 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 5.723 21.481 -9.806) 24.297 2.225 ( 17.077 16.754 5.710) 24.596 3.025 ( 10.490 3.728 1.166) 11.194 3.250 ( 28.629 -0.058 -1.135) 28.652 3.780 ( 6.197 10.529 1.783) 12.347 4.423 ( -6.785 -1.546 7.608) 10.310 6.753 ( -1.630 -4.761 11.042) 12.134 7.565 ( -7.140 1.271 1.330) 7.373 8.300 ( 16.219 -11.571 0.871) 19.943 8.916 ( 19.983 0.181 -4.078) 20.396 10.300 ( -3.557 15.535 -3.074) 16.230 10.982 ( -6.735 1.903 -3.743) 7.936 11.410 ( 3.006 -2.421 -4.376) 5.835 11.939 ( 13.853 -1.416 -3.451) 14.347 13.118 ( -2.681 4.890 -0.150) 5.579 13.644 ( -0.331 -10.416 -19.708) 22.294 15.108 ( -1.058 -7.173 30.362) 31.216 17.681 ( -20.495 -1.694 -9.703) 22.739 29.935 ( 9.105 2.834 1.885) 9.720 30.543 ( 8.858 -4.108 -2.075) 9.983 34.364 ( -3.870 3.160 -0.849) 5.068 34.768 ( -3.697 -1.442 -1.203) 4.147 77.984 ( -7.958 22.614 3.944) 24.295 79.517 ( -42.503 4.723 -9.048) 43.711 ======================= Grid point 213 (76/240) ======================= q-point: ( 0.20 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 6.627 16.254 -9.424) 19.923 2.462 ( 7.656 16.882 10.696) 21.401 3.179 ( 4.061 -3.117 -5.716) 7.673 3.815 ( 24.874 -0.247 -2.774) 25.030 4.015 ( 18.381 2.956 5.329) 19.365 4.309 ( -1.853 -0.882 7.780) 8.046 6.725 ( -1.116 -6.869 10.093) 12.259 7.415 ( -8.036 0.984 1.433) 8.222 8.597 ( 13.704 -11.117 1.226) 17.689 9.227 ( 10.316 1.046 -5.421) 11.700 10.273 ( 1.381 15.125 -2.685) 15.424 10.929 ( 1.684 3.258 -4.423) 5.746 11.484 ( 4.908 -2.802 -1.397) 5.821 12.218 ( 13.713 -0.528 -5.294) 14.709 13.037 ( -4.899 5.857 1.956) 7.882 13.628 ( -1.419 -9.779 -19.971) 22.282 15.083 ( -1.218 -7.347 25.795) 26.848 17.251 ( -23.274 -0.757 -7.390) 24.431 30.139 ( 11.691 2.656 1.802) 12.123 30.719 ( 9.019 -4.813 -1.944) 10.406 34.291 ( -3.479 3.195 0.189) 4.727 34.687 ( -4.660 -1.576 -1.162) 5.054 77.811 ( -9.689 17.914 3.502) 20.665 78.733 ( -37.063 9.936 -2.548) 38.456 ======================= Grid point 214 (77/240) ======================= q-point: ( 0.27 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 7.279 9.923 -7.436) 14.378 2.556 ( 2.834 12.629 10.446) 16.633 3.179 ( -3.198 -3.158 -5.761) 7.306 3.925 ( -8.243 -3.967 4.128) 10.036 4.477 ( 26.091 -3.873 2.351) 26.481 4.550 ( 21.982 -0.433 3.768) 22.307 6.715 ( 0.247 -9.084 8.498) 12.441 7.268 ( -6.884 -0.138 1.683) 7.088 8.808 ( 7.928 -9.139 0.982) 12.138 9.305 ( -1.149 0.023 -5.655) 5.770 10.351 ( 6.161 13.615 -2.349) 15.128 11.023 ( 6.529 4.472 -7.108) 10.637 11.606 ( 7.693 -2.152 3.376) 8.672 12.417 ( 5.580 2.114 -5.506) 8.119 12.972 ( -0.535 4.978 2.112) 5.434 13.595 ( -1.697 -7.705 -18.244) 19.877 15.078 ( 1.078 -6.170 20.340) 21.282 16.802 ( -22.683 -0.332 -5.271) 23.290 30.376 ( 12.517 2.333 1.629) 12.837 30.880 ( 7.439 -4.421 -1.520) 8.785 34.235 ( -2.205 2.521 0.856) 3.457 34.591 ( -5.155 -1.783 -0.881) 5.525 77.620 ( -9.724 12.961 3.026) 16.483 78.110 ( -27.127 9.129 0.860) 28.635 ======================= Grid point 215 (78/240) ======================= q-point: ( 0.33 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 7.006 3.444 -4.545) 9.033 2.589 ( 0.824 6.396 7.036) 9.544 3.089 ( -5.378 -2.939 -2.840) 6.755 3.710 ( -12.651 -5.258 5.617) 14.807 4.936 ( 20.511 -4.934 2.518) 21.246 4.958 ( 18.586 -5.456 2.039) 19.477 6.740 ( 2.400 -10.614 6.195) 12.522 7.156 ( -4.620 -2.455 2.115) 5.643 8.908 ( 2.764 -6.821 0.352) 7.368 9.235 ( -5.046 -2.500 -4.647) 7.301 10.497 ( 8.719 11.502 -2.713) 14.686 11.124 ( 3.086 5.178 -9.743) 11.457 11.762 ( 7.547 -0.095 7.875) 10.908 12.426 ( -3.534 3.449 -1.621) 5.197 13.034 ( 6.272 4.567 -2.179) 8.059 13.570 ( -0.877 -5.423 -14.922) 15.901 15.136 ( 4.997 -3.812 14.457) 15.764 16.385 ( -20.273 0.274 -3.277) 20.538 30.612 ( 11.642 1.819 1.352) 11.861 31.000 ( 4.778 -3.410 -0.968) 5.949 34.208 ( -0.596 1.467 1.179) 1.974 34.490 ( -5.177 -1.883 -0.419) 5.525 77.444 ( -8.303 8.629 2.616) 12.257 77.680 ( -17.620 6.228 2.354) 18.836 ======================= Grid point 216 (79/240) ======================= q-point: ( 0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 5.164 -2.774 -0.616) 5.895 2.594 ( -0.216 -0.698 0.858) 1.127 3.003 ( -2.511 -1.969 1.481) 3.518 3.460 ( -12.799 -4.889 5.757) 14.861 5.242 ( 11.143 -6.750 2.301) 13.230 5.258 ( 12.137 -7.943 2.408) 14.704 6.805 ( 4.055 -10.924 3.442) 12.150 7.085 ( -2.941 -5.515 2.877) 6.880 8.938 ( 0.992 -5.701 -0.546) 5.812 9.133 ( -5.150 -4.896 -3.108) 7.756 10.679 ( 9.870 9.736 -3.773) 14.368 11.130 ( -2.525 6.034 -9.737) 11.730 11.883 ( 5.205 2.027 8.441) 10.122 12.325 ( -6.169 2.951 3.108) 7.512 13.185 ( 8.725 4.019 -6.262) 11.467 13.550 ( -1.629 -2.909 -11.403) 11.881 15.269 ( 8.633 -1.015 9.051) 12.549 16.022 ( -17.175 1.126 -1.123) 17.249 30.817 ( 9.358 1.096 0.979) 9.473 31.061 ( 1.397 -2.180 -0.397) 2.620 34.212 ( 1.053 0.352 1.217) 1.647 34.394 ( -4.722 -1.756 0.121) 5.040 77.308 ( -5.474 5.363 2.304) 8.002 77.418 ( -9.818 3.690 2.945) 10.894 ======================= Grid point 217 (80/240) ======================= q-point: ( 0.47 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 2.214 -6.926 0.116) 7.272 2.579 ( -1.096 -6.402 -0.618) 6.525 3.016 ( 3.316 -1.146 2.817) 4.499 3.239 ( -8.803 -3.119 6.311) 11.272 5.385 ( 3.676 -8.553 2.173) 9.560 5.411 ( 3.835 -8.325 2.874) 9.606 6.879 ( 2.773 -10.194 0.567) 10.580 7.038 ( -1.764 -8.193 4.450) 9.489 8.962 ( 1.482 -5.824 -2.017) 6.339 9.047 ( -3.311 -6.003 -1.199) 6.959 10.869 ( 9.473 8.383 -5.453) 13.775 11.033 ( -7.152 7.211 -7.732) 12.765 11.970 ( 3.429 3.324 5.020) 6.929 12.213 ( -4.388 2.387 7.913) 9.358 13.348 ( 7.319 2.226 -8.670) 11.563 13.493 ( -4.176 -0.330 -8.657) 9.617 15.464 ( 11.301 1.092 4.502) 12.214 15.720 ( -13.974 1.567 1.654) 14.158 30.967 ( 6.021 0.170 0.492) 6.043 31.052 ( -2.281 -0.957 0.186) 2.481 34.248 ( 2.564 -0.620 1.013) 2.825 34.310 ( -3.821 -1.340 0.637) 4.099 77.239 ( -1.641 3.335 1.937) 4.192 77.291 ( -3.406 2.602 3.341) 5.434 ======================= Grid point 225 (81/240) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.000 10.258 1.876) 10.428 2.413 ( 0.000 23.099 -15.128) 27.612 2.432 ( 0.000 -2.980 -1.707) 3.434 3.098 ( 0.000 -1.578 -8.029) 8.183 3.966 ( 0.000 13.654 11.901) 18.112 4.546 ( 0.000 -2.586 9.613) 9.955 6.750 ( 0.000 -1.556 13.682) 13.770 7.662 ( 0.000 -7.911 0.940) 7.967 7.813 ( 0.000 3.303 0.936) 3.433 8.359 ( 0.000 -1.107 -2.532) 2.763 10.681 ( 0.000 9.996 -6.791) 12.084 11.225 ( 0.000 -1.380 1.685) 2.178 11.304 ( 0.000 -0.798 -10.930) 10.959 11.638 ( 0.000 -0.545 -0.942) 1.088 13.073 ( 0.000 -2.889 -14.834) 15.113 13.558 ( 0.000 -1.796 -7.396) 7.611 15.043 ( 0.000 -2.348 30.974) 31.063 18.055 ( 0.000 -3.030 -11.958) 12.335 29.801 ( 0.000 1.993 1.586) 2.547 30.308 ( 0.000 -1.057 -1.537) 1.865 34.488 ( 0.000 0.871 -1.357) 1.612 34.823 ( 0.000 -0.723 -2.334) 2.443 78.752 ( 0.000 28.522 2.858) 28.665 80.191 ( 0.000 -22.978 -10.966) 25.461 ======================= Grid point 226 (82/240) ======================= q-point: ( 0.07 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 17.529 10.115 1.944) 20.331 2.414 ( 1.005 20.959 -13.963) 25.205 2.639 ( 19.038 -2.460 -2.080) 19.309 3.097 ( 0.523 -1.944 -8.230) 8.473 3.964 ( -0.210 12.056 11.861) 16.914 4.509 ( -3.623 -1.735 9.379) 10.203 6.726 ( -2.301 -1.919 13.431) 13.762 7.625 ( -3.352 -5.513 1.090) 6.543 7.916 ( 9.794 0.470 1.258) 9.886 8.529 ( 16.505 -0.800 -2.872) 16.772 10.656 ( -2.422 10.748 -6.964) 13.034 11.131 ( -8.031 -1.428 -0.783) 8.194 11.325 ( 1.494 -1.448 -8.308) 8.565 11.710 ( 7.490 -0.326 -1.449) 7.636 13.130 ( 4.951 -1.656 -13.810) 14.764 13.525 ( -3.244 -2.862 -8.252) 9.317 15.031 ( -1.144 -2.660 30.614) 30.751 17.942 ( -11.355 -2.651 -11.315) 16.248 29.850 ( 4.975 1.987 1.601) 5.591 30.354 ( 4.651 -1.422 -1.521) 5.096 34.467 ( -2.118 1.059 -1.148) 2.632 34.802 ( -2.143 -0.747 -2.242) 3.190 78.675 ( -7.727 26.771 2.896) 28.014 79.976 ( -21.186 -18.809 -9.228) 29.796 ======================= Grid point 227 (83/240) ======================= q-point: ( 0.13 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 6.349 17.696 -7.805) 20.356 2.533 ( 15.209 12.308 -1.561) 19.628 2.970 ( 6.754 -6.766 -6.320) 11.460 3.258 ( 23.159 -0.958 -4.603) 23.631 3.961 ( -0.094 6.080 12.068) 13.513 4.423 ( -4.502 1.233 8.351) 9.567 6.667 ( -3.568 -3.064 12.752) 13.591 7.540 ( -5.408 -2.742 1.341) 6.210 8.157 ( 14.243 -2.725 1.940) 14.631 8.921 ( 21.333 0.097 -3.773) 21.664 10.598 ( -3.021 12.133 -6.971) 14.315 10.979 ( -6.043 -2.030 -1.740) 6.608 11.362 ( 2.535 -1.806 -6.653) 7.345 11.920 ( 13.629 -0.455 -2.776) 13.916 13.208 ( 1.455 3.054 -7.708) 8.418 13.454 ( -2.941 -6.765 -13.818) 15.664 15.001 ( -1.777 -3.226 29.361) 29.591 17.638 ( -19.320 -1.899 -9.674) 21.690 29.987 ( 9.028 1.974 1.629) 9.384 30.477 ( 7.753 -2.155 -1.416) 8.170 34.411 ( -3.433 1.424 -0.628) 3.769 34.743 ( -3.840 -0.860 -1.978) 4.404 78.467 ( -13.306 22.216 2.951) 26.063 79.438 ( -32.395 -10.167 -5.382) 34.377 ======================= Grid point 228 (84/240) ======================= q-point: ( 0.20 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 1.184 16.684 -11.273) 20.170 2.772 ( 4.673 10.634 3.927) 12.262 3.056 ( 5.571 -7.308 -6.691) 11.368 3.809 ( 27.014 -1.205 -1.469) 27.080 3.947 ( -0.119 -5.155 12.377) 13.408 4.394 ( 3.704 5.466 5.607) 8.662 6.596 ( -3.560 -4.834 11.629) 13.087 7.419 ( -6.973 -0.405 1.623) 7.171 8.434 ( 13.675 -4.483 2.135) 14.549 9.249 ( 10.440 0.790 -4.813) 11.523 10.569 ( 0.614 12.391 -6.557) 14.032 10.942 ( 2.577 -2.130 -2.531) 4.193 11.433 ( 5.096 -1.703 -4.030) 6.717 12.207 ( 15.050 -0.330 -4.302) 15.656 13.158 ( -5.396 5.217 0.841) 7.552 13.439 ( 0.732 -7.618 -21.104) 22.449 14.972 ( -0.851 -3.351 26.768) 26.991 17.225 ( -22.659 -1.306 -7.584) 23.930 30.189 ( 11.511 1.928 1.633) 11.785 30.640 ( 8.776 -2.655 -1.144) 9.239 34.341 ( -3.633 1.598 -0.015) 3.969 34.658 ( -4.910 -1.063 -1.564) 5.262 78.181 ( -15.721 16.428 2.917) 22.925 78.793 ( -32.809 -3.016 -1.708) 32.992 ======================= Grid point 229 (85/240) ======================= q-point: ( 0.27 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 0.839 12.200 -9.651) 15.578 2.761 ( -3.590 3.532 0.717) 5.087 3.121 ( -0.250 0.377 0.106) 0.465 3.785 ( -10.205 -8.767 12.377) 18.281 4.388 ( 26.397 -2.202 -0.523) 26.494 4.590 ( 14.858 1.697 3.116) 15.275 6.541 ( -1.859 -6.647 9.981) 12.136 7.276 ( -7.626 0.624 1.922) 7.889 8.663 ( 9.518 -4.543 1.415) 10.641 9.310 ( -2.848 0.252 -4.808) 5.594 10.618 ( 4.002 11.046 -6.347) 13.353 11.055 ( 7.408 -1.429 -4.914) 9.004 11.570 ( 9.060 -1.003 1.191) 9.193 12.447 ( 7.945 0.842 -4.540) 9.190 13.072 ( -1.599 3.966 1.997) 4.719 13.454 ( 0.627 -5.208 -20.662) 21.317 14.986 ( 2.614 -2.722 22.269) 22.587 16.787 ( -22.108 -0.857 -5.426) 22.780 30.421 ( 12.156 1.777 1.578) 12.386 30.805 ( 7.963 -2.656 -0.728) 8.426 34.277 ( -2.887 1.404 0.515) 3.251 34.558 ( -5.341 -1.255 -1.039) 5.584 77.878 ( -15.178 10.908 2.755) 18.893 78.209 ( -27.022 0.609 0.735) 27.039 ======================= Grid point 230 (86/240) ======================= q-point: ( 0.33 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -0.134 6.544 -6.487) 9.215 2.667 ( -5.852 -0.740 -0.562) 5.926 3.065 ( -4.271 2.264 3.918) 6.222 3.561 ( -12.265 -8.379 11.412) 18.731 4.834 ( 19.314 -2.693 0.525) 19.508 4.892 ( 14.948 -2.599 2.058) 15.311 6.535 ( 1.453 -7.826 7.800) 11.145 7.130 ( -7.440 -0.426 2.248) 7.784 8.797 ( 4.506 -3.530 0.220) 5.729 9.199 ( -7.312 -1.070 -3.799) 8.309 10.719 ( 6.375 8.946 -5.829) 12.435 11.171 ( 4.020 -0.412 -8.385) 9.308 11.759 ( 9.494 -0.002 7.030) 11.814 12.479 ( -3.625 1.654 -0.795) 4.063 13.130 ( 6.626 3.982 -2.006) 7.986 13.468 ( 0.988 -3.875 -17.261) 17.719 15.082 ( 7.369 -1.431 16.164) 17.822 16.384 ( -19.317 -0.208 -3.302) 19.598 30.648 ( 11.049 1.451 1.445) 11.237 30.939 ( 5.744 -2.218 -0.245) 6.162 34.233 ( -1.540 0.906 0.865) 1.985 34.455 ( -5.165 -1.325 -0.459) 5.352 77.608 ( -12.428 6.590 2.513) 14.289 77.762 ( -19.071 1.594 2.024) 19.244 ======================= Grid point 231 (87/240) ======================= q-point: ( 0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -1.475 0.042 -1.731) 2.275 2.543 ( -6.542 -3.954 -1.183) 7.735 3.000 ( -1.652 1.821 5.563) 6.082 3.333 ( -10.853 -6.578 9.534) 15.873 5.122 ( 10.299 -3.857 1.995) 11.177 5.141 ( 10.507 -3.726 1.521) 11.251 6.596 ( 4.653 -7.903 5.268) 10.577 6.991 ( -6.853 -3.276 2.786) 8.090 8.851 ( 1.663 -2.563 -0.792) 3.156 9.059 ( -6.681 -2.273 -2.586) 7.516 10.859 ( 7.879 6.966 -5.740) 11.981 11.202 ( -0.858 1.105 -9.540) 9.642 11.917 ( 6.931 1.140 9.348) 11.693 12.365 ( -7.097 1.008 3.345) 7.910 13.274 ( 7.390 4.035 -6.188) 10.449 13.488 ( 0.650 -2.823 -12.969) 13.288 15.262 ( 10.917 0.151 10.063) 14.848 16.042 ( -16.165 0.683 -1.063) 16.215 30.839 ( 8.531 0.919 1.233) 8.669 31.021 ( 2.539 -1.503 0.228) 2.959 34.219 ( 0.093 0.267 0.993) 1.033 34.361 ( -4.442 -1.205 0.106) 4.603 77.407 ( -8.136 3.793 2.253) 9.255 77.471 ( -11.043 1.371 2.608) 11.429 ======================= Grid point 232 (88/240) ======================= q-point: ( 0.47 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -0.600 -4.530 0.622) 4.612 2.438 ( -3.560 -6.353 0.905) 7.338 3.010 ( 2.112 0.635 5.056) 5.516 3.160 ( -6.361 -4.079 8.040) 11.034 5.252 ( 3.368 -3.954 1.927) 5.540 5.276 ( 3.406 -4.405 2.355) 6.046 6.697 ( 4.936 -6.274 2.433) 8.345 6.869 ( -5.262 -7.027 4.300) 9.775 8.880 ( 1.598 -2.103 -1.755) 3.172 8.954 ( -3.867 -2.958 -1.330) 5.048 11.011 ( 7.478 5.087 -6.603) 11.198 11.142 ( -5.085 3.100 -8.407) 10.303 12.036 ( 5.083 2.756 7.253) 9.275 12.232 ( -5.764 -0.404 7.540) 9.499 13.397 ( 4.836 2.250 -8.831) 10.317 13.480 ( -1.608 -0.937 -9.629) 9.807 15.492 ( 12.612 1.329 5.109) 13.672 15.752 ( -13.905 1.298 1.685) 14.067 30.972 ( 5.041 0.222 0.928) 5.131 31.034 ( -1.183 -0.683 0.669) 1.521 34.237 ( 1.757 -0.361 0.888) 2.002 34.286 ( -3.261 -0.879 0.582) 3.427 77.301 ( -2.789 2.357 2.005) 4.166 77.330 ( -3.627 1.097 2.903) 4.773 ======================= Grid point 240 (89/240) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.000 0.000 1.097) 1.097 2.392 ( 0.000 0.000 -1.506) 1.506 2.744 ( 0.000 0.000 -10.509) 10.509 2.982 ( 0.000 0.000 -19.299) 19.299 4.153 ( 0.000 0.000 18.888) 18.888 4.494 ( 0.000 0.000 7.848) 7.848 6.733 ( 0.000 0.000 14.699) 14.699 7.575 ( 0.000 0.000 1.234) 1.234 7.850 ( 0.000 0.000 0.610) 0.610 8.346 ( 0.000 0.000 -2.650) 2.650 10.794 ( 0.000 0.000 -8.662) 8.662 11.211 ( 0.000 0.000 1.893) 1.893 11.291 ( 0.000 0.000 -9.846) 9.846 11.632 ( 0.000 0.000 -0.897) 0.897 13.032 ( 0.000 0.000 -21.258) 21.258 13.546 ( 0.000 0.000 -2.094) 2.094 15.018 ( 0.000 0.000 29.869) 29.869 18.021 ( 0.000 0.000 -11.791) 11.791 29.823 ( 0.000 0.000 1.449) 1.449 30.296 ( 0.000 0.000 -1.465) 1.465 34.497 ( 0.000 0.000 -1.070) 1.070 34.816 ( 0.000 0.000 -2.736) 2.736 79.170 ( 0.000 0.000 1.441) 1.441 79.831 ( 0.000 0.000 -6.514) 6.514 ======================= Grid point 242 (90/240) ======================= q-point: ( 0.07 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 17.867 0.000 1.358) 17.919 2.582 ( 17.222 0.000 -2.317) 17.377 2.735 ( -0.802 0.000 -10.173) 10.205 2.991 ( 2.023 0.000 -18.102) 18.215 4.120 ( -3.337 0.000 18.718) 19.013 4.476 ( -1.659 0.000 7.571) 7.751 6.706 ( -2.737 0.000 14.399) 14.657 7.556 ( -1.910 0.000 1.278) 2.298 7.931 ( 8.002 0.000 1.072) 8.074 8.520 ( 16.873 0.000 -2.919) 17.123 10.781 ( -1.216 0.000 -8.980) 9.062 11.109 ( -8.931 0.000 0.375) 8.938 11.308 ( 1.266 0.000 -8.304) 8.400 11.707 ( 7.620 0.000 -1.328) 7.735 13.101 ( 6.296 0.000 -21.409) 22.316 13.503 ( -4.326 0.000 -1.600) 4.612 15.004 ( -1.436 0.000 29.708) 29.743 17.912 ( -11.005 0.000 -11.206) 15.706 29.872 ( 4.974 0.000 1.471) 5.187 30.338 ( 4.307 0.000 -1.408) 4.531 34.478 ( -1.935 0.000 -0.929) 2.147 34.794 ( -2.187 0.000 -2.604) 3.401 79.064 ( -10.605 0.000 1.671) 10.736 79.669 ( -16.144 0.000 -5.583) 17.082 ======================= Grid point 244 (91/240) ======================= q-point: ( 0.13 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 18.958 0.000 0.042) 18.958 2.733 ( 3.126 0.000 -7.083) 7.742 2.812 ( 2.017 -0.000 -13.139) 13.293 3.232 ( 25.453 0.000 -6.063) 26.166 4.025 ( -6.453 0.000 18.189) 19.299 4.443 ( -1.222 0.000 6.695) 6.806 6.634 ( -4.472 0.000 13.569) 14.287 7.502 ( -3.692 0.000 1.420) 3.955 8.137 ( 12.614 0.000 1.958) 12.765 8.921 ( 21.920 0.000 -3.712) 22.232 10.755 ( -1.310 0.000 -9.578) 9.667 10.931 ( -7.586 0.000 0.086) 7.587 11.343 ( 2.543 0.000 -7.112) 7.552 11.916 ( 13.512 0.000 -2.484) 13.739 13.235 ( 6.690 0.000 -22.067) 23.059 13.386 ( -7.500 -0.000 -0.285) 7.506 14.968 ( -2.009 0.000 28.988) 29.058 17.616 ( -18.932 0.000 -9.672) 21.260 30.010 ( 9.027 0.000 1.520) 9.154 30.454 ( 7.369 0.000 -1.221) 7.469 34.426 ( -3.248 0.000 -0.555) 3.295 34.734 ( -3.949 0.000 -2.239) 4.539 78.782 ( -17.783 0.000 2.172) 17.915 79.247 ( -26.187 0.000 -3.367) 26.402 ======================= Grid point 246 (92/240) ======================= q-point: ( 0.20 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -0.952 0.000 -8.330) 8.384 2.778 ( -3.871 -0.000 -14.887) 15.382 3.007 ( 15.631 -0.000 4.521) 16.272 3.772 ( 19.483 -0.000 3.501) 19.795 3.899 ( 1.626 0.000 11.682) 11.795 4.458 ( 3.678 0.000 4.996) 6.204 6.543 ( -4.686 0.000 12.276) 13.140 7.412 ( -5.673 0.000 1.643) 5.906 8.391 ( 12.995 0.000 2.265) 13.191 9.257 ( 10.536 0.000 -4.691) 11.533 10.739 ( -0.090 0.000 -9.695) 9.696 10.879 ( 3.041 0.000 0.156) 3.045 11.416 ( 5.413 0.000 -4.868) 7.280 12.204 ( 15.329 0.000 -3.898) 15.817 13.230 ( -7.966 0.000 1.357) 8.081 13.341 ( 4.094 -0.000 -22.588) 22.956 14.938 ( -0.703 0.000 27.006) 27.015 17.209 ( -22.391 0.000 -7.639) 23.658 30.211 ( 11.477 0.000 1.555) 11.582 30.612 ( 8.611 0.000 -0.888) 8.656 34.358 ( -3.617 0.000 -0.065) 3.617 34.646 ( -5.045 0.000 -1.711) 5.328 78.406 ( -20.303 0.000 2.594) 20.468 78.708 ( -28.391 0.000 -1.002) 28.409 ======================= Grid point 248 (93/240) ======================= q-point: ( 0.27 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -1.870 0.000 -7.047) 7.290 2.682 ( -5.891 -0.000 -12.731) 14.028 3.181 ( 2.113 0.000 7.530) 7.821 3.656 ( -11.079 -0.000 16.289) 19.699 4.371 ( 26.203 0.000 -1.228) 26.232 4.608 ( 11.495 0.000 2.982) 11.875 6.467 ( -2.780 0.000 10.544) 10.904 7.284 ( -7.481 0.000 1.911) 7.721 8.616 ( 9.786 0.000 1.477) 9.897 9.312 ( -3.461 0.000 -4.574) 5.736 10.758 ( 2.196 0.000 -8.882) 9.149 11.013 ( 8.613 0.000 -2.366) 8.932 11.562 ( 9.574 0.000 0.076) 9.575 12.455 ( 8.749 0.000 -4.061) 9.646 13.117 ( -2.199 0.000 1.825) 2.857 13.396 ( 1.858 0.000 -21.610) 21.690 14.958 ( 3.167 0.000 22.848) 23.066 16.776 ( -21.809 0.000 -5.469) 22.484 30.441 ( 12.035 0.000 1.541) 12.134 30.776 ( 8.075 0.000 -0.449) 8.088 34.292 ( -3.076 0.000 0.408) 3.103 34.544 ( -5.429 0.000 -1.099) 5.539 78.022 ( -18.911 0.000 2.762) 19.112 78.186 ( -24.828 0.000 0.747) 24.839 ======================= Grid point 250 (94/240) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -7.268 0.000 -8.745) 11.371 2.573 ( -3.602 -0.000 -4.684) 5.909 3.133 ( -5.285 0.000 8.830) 10.291 3.437 ( -11.123 0.000 14.033) 17.906 4.813 ( 19.111 0.000 -0.266) 19.113 4.859 ( 13.184 0.000 2.203) 13.367 6.448 ( 1.058 0.000 8.423) 8.489 7.127 ( -8.650 0.000 2.202) 8.926 8.760 ( 5.147 0.000 0.127) 5.149 9.188 ( -8.056 0.000 -3.528) 8.795 10.827 ( 4.895 0.000 -7.600) 9.040 11.151 ( 5.079 0.000 -6.567) 8.302 11.760 ( 9.958 0.000 6.197) 11.729 12.496 ( -3.700 0.000 -0.262) 3.709 13.177 ( 7.214 0.000 -1.607) 7.391 13.424 ( 1.304 0.000 -18.651) 18.696 15.069 ( 8.214 0.000 16.684) 18.596 16.381 ( -18.828 0.000 -3.305) 19.116 30.665 ( 10.803 0.000 1.465) 10.902 30.914 ( 6.075 0.000 0.024) 6.075 34.243 ( -1.867 0.000 0.756) 2.014 34.440 ( -5.152 0.000 -0.472) 5.174 77.691 ( -14.940 0.000 2.713) 15.185 77.766 ( -18.393 0.000 1.733) 18.474 ======================= Grid point 252 (95/240) ======================= q-point: ( 0.40 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -6.607 0.000 -3.542) 7.496 2.475 ( -6.447 -0.000 -0.878) 6.506 3.041 ( -3.061 0.000 7.817) 8.395 3.241 ( -8.848 0.000 10.789) 13.953 5.082 ( 9.416 0.000 2.260) 9.684 5.102 ( 10.692 0.000 0.747) 10.718 6.509 ( 5.034 0.000 6.193) 7.981 6.955 ( -8.925 0.000 2.577) 9.290 8.826 ( 2.084 0.000 -0.879) 2.262 9.035 ( -7.181 0.000 -2.477) 7.596 10.941 ( 6.608 0.000 -6.905) 9.557 11.205 ( 0.441 0.000 -8.747) 8.758 11.929 ( 7.655 0.000 9.471) 12.178 12.374 ( -7.747 0.000 3.545) 8.519 13.326 ( 7.035 0.000 -5.014) 8.639 13.450 ( 1.255 0.000 -14.731) 14.785 15.265 ( 11.744 0.000 10.347) 15.652 16.049 ( -15.634 0.000 -1.049) 15.669 30.850 ( 8.158 0.000 1.322) 8.265 31.004 ( 2.998 0.000 0.462) 3.033 34.222 ( -0.279 0.000 0.911) 0.953 34.348 ( -4.306 0.000 0.103) 4.307 77.454 ( -9.459 0.000 2.574) 9.803 77.480 ( -11.071 0.000 2.170) 11.281 ======================= Grid point 254 (96/240) ======================= q-point: ( 0.47 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -1.815 0.000 0.756) 1.967 2.356 ( -4.679 -0.000 1.825) 5.022 3.029 ( 1.742 0.000 6.825) 7.044 3.101 ( -5.532 0.000 7.937) 9.675 5.214 ( 3.991 0.000 2.188) 4.551 5.229 ( 2.648 0.000 1.641) 3.115 6.632 ( 7.399 0.000 4.374) 8.595 6.786 ( -8.461 0.000 3.216) 9.051 8.861 ( 2.104 0.000 -1.364) 2.507 8.922 ( -4.421 0.000 -1.771) 4.763 11.069 ( 6.300 0.000 -7.346) 9.678 11.170 ( -3.794 0.000 -8.481) 9.291 12.071 ( 7.347 0.000 9.080) 11.680 12.219 ( -7.995 0.000 6.608) 10.372 13.429 ( 3.447 -0.000 -7.838) 8.562 13.463 ( -0.284 0.000 -10.996) 10.999 15.508 ( 13.074 0.000 5.290) 14.103 15.767 ( -13.788 0.000 1.646) 13.885 30.974 ( 4.617 0.000 1.112) 4.750 31.026 ( -0.725 0.000 0.828) 1.100 34.233 ( 1.422 0.000 0.843) 1.653 34.277 ( -3.012 0.000 0.561) 3.064 77.331 ( -3.109 0.000 2.443) 3.954 77.337 ( -3.793 -0.000 2.338) 4.455 ======================= Grid point 330 (97/240) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.000 0.000 23.161) 23.161 1.390 ( 0.000 0.000 30.471) 30.471 2.018 ( 0.000 0.000 43.418) 43.418 2.477 ( 0.000 0.000 -5.155) 5.155 3.288 ( 0.000 0.000 -4.477) 4.477 4.576 ( 0.000 0.000 -5.166) 5.166 7.365 ( 0.000 0.000 8.622) 8.622 7.632 ( 0.000 0.000 7.082) 7.082 8.206 ( 0.000 0.000 -6.103) 6.103 8.383 ( 0.000 0.000 -3.474) 3.474 10.191 ( 0.000 0.000 9.105) 9.105 10.752 ( 0.000 0.000 -0.391) 0.391 11.401 ( 0.000 0.000 0.447) 0.447 11.618 ( 0.000 0.000 -2.679) 2.679 13.072 ( 0.000 0.000 0.509) 0.509 13.734 ( 0.000 0.000 -7.102) 7.102 16.805 ( 0.000 0.000 1.839) 1.839 17.575 ( 0.000 0.000 -8.369) 8.369 29.701 ( 0.000 0.000 4.975) 4.975 30.330 ( 0.000 0.000 -3.952) 3.952 34.110 ( 0.000 0.000 6.453) 6.453 35.021 ( 0.000 0.000 -6.426) 6.426 77.524 ( 0.000 0.000 7.096) 7.096 78.576 ( 0.000 0.000 -7.917) 7.917 ======================= Grid point 331 (98/240) ======================= q-point: ( 0.07 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 17.148 0.000 20.913) 27.044 1.476 ( 8.557 0.000 27.543) 28.841 2.162 ( 17.422 0.000 37.267) 41.138 2.707 ( 22.002 0.000 -5.703) 22.729 3.292 ( 0.624 0.000 -3.016) 3.080 4.561 ( -1.375 0.000 -4.631) 4.831 7.353 ( -0.966 0.000 7.258) 7.322 7.361 ( -15.581 0.000 11.399) 19.305 8.501 ( 11.324 0.000 -2.688) 11.639 8.550 ( 22.037 0.000 -13.198) 25.687 10.172 ( -1.562 0.000 7.835) 7.989 10.670 ( -7.251 0.000 0.202) 7.254 11.444 ( 4.238 0.000 0.577) 4.277 11.692 ( 6.674 0.000 -3.772) 7.666 13.052 ( -2.027 0.000 0.902) 2.219 13.763 ( 2.257 0.000 -9.269) 9.540 16.635 ( -15.257 0.000 8.121) 17.283 17.500 ( -7.595 0.000 -8.237) 11.204 29.751 ( 5.041 0.000 4.900) 7.030 30.458 ( 11.249 0.000 -8.186) 13.912 34.111 ( 0.154 0.000 6.325) 6.327 34.961 ( -5.349 0.000 -4.401) 6.926 77.509 ( -1.506 0.000 6.818) 6.982 78.284 ( -24.745 0.000 3.848) 25.042 ======================= Grid point 332 (99/240) ======================= q-point: ( 0.13 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 11.779 0.000 21.773) 24.755 1.699 ( 13.730 0.000 21.506) 25.515 2.691 ( 32.263 0.000 18.912) 37.397 3.227 ( 28.760 0.000 -8.081) 29.873 3.341 ( 6.518 0.000 2.186) 6.874 4.542 ( 0.321 0.000 -2.256) 2.279 7.160 ( -5.690 0.000 10.140) 11.628 7.341 ( -0.060 0.000 4.664) 4.665 8.769 ( 14.761 0.000 -1.561) 14.843 8.884 ( 12.309 0.000 -14.213) 18.802 10.149 ( -0.486 0.000 5.722) 5.743 10.528 ( -6.246 0.000 0.741) 6.289 11.551 ( 6.406 0.000 1.386) 6.554 11.838 ( 7.767 0.000 -5.697) 9.632 12.997 ( -3.449 0.000 1.791) 3.887 13.787 ( -0.387 0.000 -12.108) 12.115 16.307 ( -17.215 0.000 13.871) 22.109 17.289 ( -13.947 0.000 -7.814) 15.987 29.890 ( 9.180 0.000 4.636) 10.284 30.686 ( 11.101 0.000 -10.983) 15.616 34.117 ( 0.452 0.000 5.969) 5.986 34.847 ( -5.896 0.000 -2.469) 6.392 77.469 ( -2.591 0.000 6.122) 6.648 77.818 ( -20.865 0.000 12.504) 24.325 ======================= Grid point 333 (100/240) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 12.275 0.000 16.639) 20.677 1.980 ( 14.751 0.000 15.627) 21.489 3.101 ( 7.670 0.000 0.101) 7.671 3.685 ( 15.107 0.000 -12.650) 19.704 3.738 ( 35.099 0.000 13.886) 37.746 4.645 ( 12.764 0.000 2.861) 13.081 7.107 ( -0.521 0.000 7.319) 7.337 7.353 ( 1.237 0.000 2.274) 2.588 9.017 ( 9.971 0.000 -0.620) 9.991 9.054 ( 6.224 0.000 -12.065) 13.576 10.154 ( 0.964 0.000 4.755) 4.852 10.460 ( -0.554 0.000 -0.281) 0.621 11.680 ( 6.662 0.000 3.308) 7.438 11.983 ( 7.167 0.000 -6.660) 9.784 12.925 ( -3.826 0.000 2.319) 4.474 13.744 ( -3.914 0.000 -13.625) 14.176 15.997 ( -14.543 0.000 13.580) 19.897 16.976 ( -18.061 0.000 -7.019) 19.377 30.096 ( 11.792 0.000 4.105) 12.486 30.872 ( 8.097 0.000 -9.708) 12.641 34.130 ( 0.962 0.000 5.444) 5.529 34.740 ( -5.167 0.000 -1.989) 5.537 77.413 ( -3.072 0.000 5.320) 6.144 77.501 ( -12.230 0.000 11.646) 16.888 ======================= Grid point 334 (101/240) ======================= q-point: ( 0.27 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 13.045 0.000 10.348) 16.651 2.252 ( 13.153 0.000 10.769) 16.999 3.162 ( 0.921 0.000 -0.933) 1.311 3.781 ( -2.873 0.000 -12.538) 12.863 4.474 ( 37.775 0.000 11.563) 39.505 5.032 ( 24.307 0.000 4.245) 24.675 7.121 ( 1.725 0.000 5.542) 5.805 7.383 ( 1.687 0.000 0.662) 1.813 9.148 ( 4.173 0.000 0.051) 4.173 9.150 ( 4.139 0.000 -11.364) 12.094 10.183 ( 1.858 0.000 4.527) 4.893 10.486 ( 2.267 0.000 -2.822) 3.619 11.799 ( 5.486 0.000 5.875) 8.038 12.114 ( 6.157 0.000 -5.254) 8.094 12.861 ( -2.366 0.000 1.140) 2.626 13.646 ( -5.932 0.000 -14.452) 15.622 15.750 ( -10.928 0.000 10.922) 15.450 16.609 ( -19.412 0.000 -5.750) 20.246 30.335 ( 12.653 0.000 3.259) 13.066 31.001 ( 5.311 0.000 -7.501) 9.191 34.155 ( 1.651 0.000 4.803) 5.079 34.645 ( -4.707 0.000 -1.647) 4.987 77.325 ( -6.509 0.000 9.060) 11.156 77.353 ( -3.031 0.000 4.703) 5.595 ======================= Grid point 335 (102/240) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 12.753 0.000 5.051) 13.717 2.481 ( 10.346 0.000 6.679) 12.314 3.166 ( -0.339 0.000 0.268) 0.432 3.656 ( -8.920 0.000 -9.226) 12.832 5.142 ( 30.513 0.000 8.529) 31.683 5.488 ( 21.316 0.000 3.471) 21.596 7.169 ( 3.220 0.000 4.711) 5.706 7.410 ( 0.913 0.000 0.279) 0.955 9.207 ( 2.428 0.000 -0.817) 2.561 9.222 ( 3.360 0.000 -11.893) 12.358 10.224 ( 2.451 0.000 4.029) 4.716 10.513 ( 0.034 0.000 -4.706) 4.706 11.889 ( 3.925 0.000 7.819) 8.749 12.200 ( 2.128 0.000 -0.975) 2.340 12.855 ( 2.274 0.000 -2.900) 3.686 13.523 ( -6.593 0.000 -14.587) 16.008 15.580 ( -6.443 0.000 8.056) 10.315 16.242 ( -18.090 0.000 -3.954) 18.517 30.575 ( 11.895 0.000 2.122) 12.083 31.077 ( 2.535 0.000 -5.481) 6.039 34.195 ( 2.412 0.000 4.060) 4.723 34.557 ( -4.489 0.000 -0.969) 4.593 77.235 ( -3.049 0.000 7.134) 7.759 77.298 ( -2.670 0.000 4.409) 5.155 ======================= Grid point 336 (103/240) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 11.161 0.000 0.578) 11.176 2.649 ( 6.876 0.000 2.885) 7.456 3.156 ( -0.399 0.000 1.782) 1.826 3.464 ( -10.329 0.000 -5.221) 11.574 5.634 ( 20.068 0.000 6.169) 20.995 5.823 ( 12.858 0.000 3.167) 13.243 7.242 ( 4.136 0.000 4.253) 5.933 7.413 ( -0.672 0.000 1.105) 1.294 9.253 ( 2.402 0.000 -3.644) 4.364 9.278 ( 2.304 0.000 -12.145) 12.362 10.277 ( 3.017 0.000 2.751) 4.082 10.485 ( -2.768 0.000 -4.457) 5.247 11.957 ( 3.315 0.000 8.201) 8.846 12.188 ( -2.928 0.000 3.363) 4.459 12.950 ( 6.972 0.000 -7.456) 10.208 13.393 ( -6.923 0.000 -13.761) 15.404 15.506 ( -1.111 0.000 5.500) 5.611 15.922 ( -14.708 0.000 -1.724) 14.809 30.787 ( 9.870 0.000 0.780) 9.901 31.097 ( -0.508 0.000 -3.743) 3.777 34.248 ( 3.122 0.000 3.199) 4.470 34.471 ( -4.322 0.000 0.005) 4.322 77.199 ( -0.881 0.000 5.942) 6.007 77.251 ( -2.142 0.000 4.436) 4.926 ======================= Grid point 337 (104/240) ======================= q-point: ( 0.47 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 6.302 0.000 -2.450) 6.762 2.736 ( 1.709 0.000 -0.902) 1.932 3.170 ( 2.582 0.000 2.606) 3.669 3.277 ( -8.329 0.000 -0.511) 8.345 5.912 ( 8.718 0.000 4.476) 9.800 5.973 ( 2.432 0.000 3.479) 4.245 7.321 ( 3.824 0.000 3.591) 5.246 7.383 ( -2.429 0.000 2.457) 3.455 9.294 ( 1.548 0.000 -7.480) 7.638 9.306 ( 0.414 0.000 -10.731) 10.739 10.342 ( 3.688 0.000 0.487) 3.720 10.417 ( -3.926 0.000 -2.329) 4.565 12.026 ( 3.972 0.000 7.252) 8.268 12.111 ( -4.565 0.000 5.701) 7.304 13.100 ( 8.121 0.000 -10.225) 13.058 13.253 ( -7.571 0.000 -12.191) 14.351 15.539 ( 4.582 0.000 3.115) 5.540 15.681 ( -10.019 0.000 0.703) 10.043 30.951 ( 7.021 0.000 -0.671) 7.053 31.056 ( -3.777 0.000 -2.172) 4.357 34.315 ( 3.688 0.000 2.208) 4.298 34.390 ( -4.079 0.000 1.113) 4.229 77.196 ( 0.522 0.000 5.199) 5.225 77.216 ( -1.462 0.000 4.714) 4.936 ======================= Grid point 345 (105/240) ======================= q-point: ( 0.00 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.000 9.546 19.455) 21.671 1.222 ( 0.000 -7.142 28.102) 28.995 2.357 ( 0.000 24.043 35.573) 42.936 2.473 ( 0.000 -0.392 -5.028) 5.043 3.320 ( 0.000 3.448 -4.192) 5.428 4.602 ( 0.000 2.168 -3.367) 4.005 7.259 ( 0.000 -7.240 12.030) 14.041 7.652 ( 0.000 1.862 6.567) 6.826 8.200 ( 0.000 -2.619 -8.330) 8.732 8.375 ( 0.000 -0.762 -3.580) 3.661 10.145 ( 0.000 -1.067 11.654) 11.703 10.860 ( 0.000 7.207 -6.394) 9.634 11.383 ( 0.000 -1.565 0.699) 1.714 11.622 ( 0.000 0.249 -2.586) 2.598 13.069 ( 0.000 0.027 0.113) 0.116 13.673 ( 0.000 -5.769 -8.893) 10.601 16.450 ( 0.000 -22.884 19.377) 29.986 17.753 ( 0.000 8.673 -17.509) 19.539 29.715 ( 0.000 1.328 4.782) 4.963 30.324 ( 0.000 -0.559 -3.858) 3.899 34.193 ( 0.000 6.471 2.737) 7.026 34.971 ( 0.000 -4.117 -4.758) 6.292 77.533 ( 0.000 5.849 10.158) 11.722 79.175 ( 0.000 41.227 -30.505) 51.285 ======================= Grid point 346 (106/240) ======================= q-point: ( 0.07 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 7.439 -2.847 22.585) 23.949 1.468 ( 22.225 5.446 19.413) 30.009 2.445 ( 11.050 20.455 30.373) 38.249 2.704 ( 21.785 0.008 -4.662) 22.278 3.328 ( 1.079 3.839 -2.823) 4.886 4.580 ( -2.040 1.635 -2.704) 3.761 7.205 ( -4.520 -5.756 11.892) 13.964 7.525 ( -7.769 7.185 6.095) 12.212 8.403 ( 14.808 -7.077 -7.830) 18.185 8.553 ( 16.221 -1.733 -6.816) 17.680 10.114 ( -2.618 -1.932 10.827) 11.305 10.775 ( -7.500 7.144 -5.157) 11.571 11.423 ( 3.755 -1.854 0.711) 4.247 11.695 ( 6.956 0.069 -3.605) 7.835 13.052 ( -1.824 0.303 0.426) 1.897 13.699 ( 1.955 -6.088 -10.406) 12.213 16.362 ( -8.535 -18.927 19.659) 28.593 17.638 ( -11.035 7.581 -14.847) 19.991 29.765 ( 5.032 1.322 4.712) 7.019 30.430 ( 9.700 -2.218 -6.485) 11.877 34.186 ( -0.676 5.910 3.236) 6.772 34.923 ( -4.353 -3.187 -3.638) 6.507 77.513 ( -1.996 5.602 9.878) 11.529 78.851 ( -28.536 40.051 -16.620) 51.909 ======================= Grid point 347 (107/240) ======================= q-point: ( 0.13 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 12.206 -3.957 17.535) 21.729 1.865 ( 16.729 10.977 18.818) 27.467 2.812 ( 23.860 9.399 14.651) 29.535 3.216 ( 28.040 -0.870 -7.618) 29.070 3.399 ( 9.079 5.980 3.861) 11.537 4.544 ( -0.711 0.290 -0.555) 0.947 7.130 ( -2.701 -2.034 10.470) 11.003 7.416 ( -3.676 5.677 3.864) 7.789 8.706 ( 15.715 -5.417 -5.369) 17.468 8.858 ( 13.359 -2.849 -9.958) 16.904 10.073 ( -1.069 -3.598 9.229) 9.963 10.626 ( -6.639 6.827 -3.584) 10.175 11.518 ( 5.912 -2.658 1.445) 6.641 11.857 ( 8.957 1.107 -5.864) 10.763 13.000 ( -3.324 0.637 1.414) 3.668 13.718 ( -0.484 -6.392 -12.501) 14.049 16.153 ( -12.301 -11.983 18.829) 25.484 17.363 ( -16.669 4.863 -11.074) 20.595 29.904 ( 9.146 1.285 4.481) 10.265 30.640 ( 10.882 -3.775 -8.806) 14.499 34.172 ( -0.621 4.559 4.035) 6.120 34.826 ( -5.284 -1.889 -2.454) 6.124 77.460 ( -3.390 4.988 9.123) 10.936 78.277 ( -27.469 33.020 -0.783) 42.959 ======================= Grid point 348 (108/240) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 14.288 -3.334 11.592) 18.698 2.136 ( 12.222 11.435 16.903) 23.788 3.112 ( 5.741 0.471 -2.315) 6.208 3.682 ( 17.813 0.373 -9.910) 20.387 3.819 ( 31.905 6.896 12.199) 34.847 4.618 ( 10.829 -2.489 3.773) 11.734 7.100 ( -0.609 -0.816 8.228) 8.290 7.372 ( -1.057 1.640 2.049) 2.830 8.966 ( 10.313 -4.109 -4.928) 12.146 9.055 ( 7.229 -0.870 -8.661) 11.315 10.084 ( 2.204 -3.742 7.720) 8.858 10.550 ( -1.009 6.538 -3.506) 7.487 11.647 ( 7.264 -2.697 3.129) 8.357 12.020 ( 7.568 2.697 -7.145) 10.752 12.931 ( -3.618 0.855 2.181) 4.310 13.676 ( -3.663 -6.215 -13.732) 15.512 15.912 ( -12.087 -7.140 16.124) 21.379 17.011 ( -19.331 2.623 -8.570) 21.308 30.109 ( 11.739 1.210 4.009) 12.464 30.831 ( 8.638 -3.539 -8.253) 12.460 34.166 ( 0.039 3.049 4.369) 5.328 34.727 ( -4.953 -1.258 -2.072) 5.515 77.388 ( -3.924 4.280 8.113) 9.977 77.837 ( -18.043 22.950 4.215) 29.497 ======================= Grid point 349 (109/240) ======================= q-point: ( 0.27 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 14.447 -2.413 6.834) 16.163 2.352 ( 10.126 8.060 12.587) 18.054 3.153 ( 0.196 -1.013 -2.807) 2.991 3.806 ( -2.288 2.422 -10.410) 10.930 4.502 ( 35.453 2.458 10.694) 37.112 4.976 ( 23.299 -5.275 4.780) 24.362 7.102 ( 0.898 -1.674 6.263) 6.545 7.367 ( 0.272 -1.575 1.107) 1.945 9.100 ( 4.020 -3.125 -4.688) 6.922 9.156 ( 3.766 -1.062 -7.562) 8.514 10.147 ( 3.938 -1.587 6.274) 7.575 10.572 ( 2.364 6.753 -4.921) 8.684 11.788 ( 6.936 -1.092 5.641) 9.007 12.145 ( 5.385 2.724 -5.993) 8.505 12.871 ( -2.198 1.139 1.112) 2.714 13.588 ( -5.129 -5.295 -14.479) 16.248 15.700 ( -9.515 -4.288 12.705) 16.442 16.629 ( -19.873 1.563 -6.538) 20.979 30.347 ( 12.582 1.102 3.242) 13.040 30.972 ( 5.967 -2.563 -6.611) 9.267 34.175 ( 0.953 1.752 4.210) 4.659 34.634 ( -4.660 -1.067 -1.688) 5.070 77.313 ( -3.672 3.615 7.086) 8.762 77.563 ( -10.839 14.107 4.740) 18.411 ======================= Grid point 350 (110/240) ======================= q-point: ( 0.33 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 13.588 -1.574 3.134) 14.033 2.524 ( 7.664 3.835 7.864) 11.631 3.144 ( -0.842 -1.936 -1.032) 2.350 3.685 ( -8.878 2.693 -7.090) 11.677 5.129 ( 28.580 -1.252 7.889) 29.675 5.416 ( 20.684 -6.551 3.946) 22.053 7.136 ( 2.614 -2.985 4.949) 6.343 7.374 ( 0.284 -3.350 0.936) 3.490 9.147 ( 1.482 -4.040 -3.989) 5.868 9.215 ( 2.451 -2.173 -8.648) 9.248 10.229 ( 4.388 1.405 4.571) 6.490 10.607 ( 0.777 7.708 -5.907) 9.742 11.899 ( 4.298 0.789 7.674) 8.831 12.223 ( 2.319 2.079 -1.973) 3.687 12.864 ( 1.897 0.921 -2.864) 3.557 13.487 ( -5.278 -3.396 -14.600) 15.892 15.554 ( -5.440 -2.298 9.437) 11.132 16.257 ( -18.231 1.225 -4.342) 18.781 30.585 ( 11.796 0.952 2.194) 12.036 31.060 ( 3.103 -1.531 -4.890) 5.991 34.203 ( 1.905 0.745 3.730) 4.254 34.546 ( -4.477 -1.030 -0.979) 4.697 77.250 ( -2.709 2.802 6.185) 7.311 77.400 ( -6.401 7.831 4.521) 11.079 ======================= Grid point 351 (111/240) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 11.464 -0.974 -0.112) 11.506 2.646 ( 4.847 -0.199 3.166) 5.793 3.130 ( -0.384 -2.173 1.338) 2.580 3.493 ( -10.453 2.421 -3.486) 11.282 5.587 ( 18.517 -4.306 5.858) 19.893 5.741 ( 12.485 -7.356 3.650) 14.944 7.201 ( 3.883 -3.876 4.113) 6.857 7.372 ( -0.708 -3.839 1.477) 4.174 9.173 ( 1.329 -5.739 -5.273) 7.906 9.251 ( 1.332 -3.759 -8.960) 9.807 10.314 ( 4.420 4.211 2.045) 6.438 10.595 ( -1.938 8.849 -4.890) 10.295 11.961 ( 2.511 0.706 7.961) 8.378 12.224 ( -1.988 2.981 2.667) 4.466 12.951 ( 6.762 0.249 -7.593) 10.171 13.382 ( -5.705 -1.097 -13.825) 14.996 15.495 ( -0.461 -0.836 6.482) 6.552 15.935 ( -14.750 1.155 -1.790) 14.903 30.795 ( 9.720 0.731 0.939) 9.792 31.090 ( -0.064 -0.659 -3.306) 3.372 34.248 ( 2.765 0.001 3.020) 4.095 34.461 ( -4.273 -0.981 -0.003) 4.384 77.212 ( -1.235 1.780 5.437) 5.853 77.304 ( -3.768 4.205 4.510) 7.226 ======================= Grid point 352 (112/240) ======================= q-point: ( 0.47 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 5.419 -1.230 -2.456) 6.076 2.710 ( 1.674 -2.559 -0.844) 3.172 3.145 ( 2.102 -1.760 2.698) 3.846 3.307 ( -7.633 2.218 0.564) 7.968 5.841 ( 7.740 -6.482 4.523) 11.062 5.889 ( 2.663 -7.492 3.824) 8.823 7.275 ( 3.370 -4.598 3.318) 6.596 7.345 ( -1.951 -3.376 2.450) 4.605 9.195 ( 0.727 -6.873 -7.400) 10.126 9.267 ( 0.337 -5.070 -8.159) 9.612 10.392 ( 3.032 6.065 -1.567) 6.959 10.546 ( -2.394 9.446 -1.818) 9.913 12.004 ( 1.659 -0.546 7.120) 7.332 12.173 ( -2.305 4.318 5.131) 7.091 13.098 ( 7.533 -0.118 -10.529) 12.947 13.262 ( -6.474 0.671 -12.316) 13.930 15.536 ( 4.461 -0.099 3.590) 5.727 15.696 ( -9.680 1.214 1.073) 9.815 30.955 ( 6.725 0.368 -0.440) 6.749 31.056 ( -3.382 0.042 -1.819) 3.841 34.309 ( 3.449 -0.518 2.119) 4.081 34.381 ( -3.945 -0.822 1.081) 4.172 77.201 ( -0.021 1.001 4.822) 4.925 77.251 ( -1.572 2.683 4.786) 5.707 ======================= Grid point 360 (113/240) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.000 11.309 9.998) 15.095 1.408 ( 0.000 13.235 12.684) 18.331 2.459 ( 0.000 -1.012 -4.647) 4.756 2.823 ( 0.000 16.741 17.077) 23.914 3.468 ( 0.000 12.298 2.660) 12.583 4.663 ( 0.000 3.645 1.948) 4.133 7.139 ( 0.000 -3.866 13.793) 14.325 7.706 ( 0.000 3.181 5.198) 6.094 8.070 ( 0.000 -8.920 -5.941) 10.717 8.352 ( 0.000 -1.394 -3.854) 4.098 10.198 ( 0.000 5.449 5.770) 7.937 10.982 ( 0.000 4.033 -10.754) 11.485 11.343 ( 0.000 -2.079 1.384) 2.498 11.625 ( 0.000 -0.050 -2.361) 2.362 13.077 ( 0.000 0.171 -0.871) 0.888 13.508 ( 0.000 -8.869 -11.612) 14.612 16.045 ( 0.000 -15.180 28.746) 32.508 17.838 ( 0.000 0.073 -19.580) 19.581 29.754 ( 0.000 2.246 4.259) 4.815 30.307 ( 0.000 -1.000 -3.597) 3.734 34.325 ( 0.000 5.415 -0.557) 5.443 34.878 ( 0.000 -4.277 -3.380) 5.452 77.806 ( 0.000 19.074 9.966) 21.520 79.866 ( 0.000 21.333 -37.756) 43.366 ======================= Grid point 361 (114/240) ======================= q-point: ( 0.07 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 5.807 10.367 8.610) 14.674 1.666 ( 22.764 11.683 12.108) 28.307 2.665 ( 19.283 -0.584 -4.086) 19.719 2.867 ( 5.531 13.059 12.411) 18.846 3.490 ( 2.695 13.107 4.569) 14.140 4.629 ( -3.152 3.160 2.428) 5.081 7.116 ( -1.860 -2.997 13.162) 13.627 7.651 ( -5.195 4.796 3.798) 8.025 8.216 ( 13.988 -10.298 -5.401) 18.190 8.503 ( 13.723 -2.193 -4.383) 14.572 10.153 ( -3.992 5.181 5.459) 8.519 10.903 ( -7.169 4.625 -9.282) 12.607 11.373 ( 2.860 -2.799 0.927) 4.108 11.690 ( 6.728 -0.487 -3.130) 7.436 13.072 ( -0.792 1.329 -0.677) 1.688 13.524 ( 1.206 -9.723 -12.136) 15.597 16.007 ( -3.896 -14.007 27.347) 30.972 17.722 ( -11.402 0.591 -17.754) 21.109 29.803 ( 5.007 2.235 4.215) 6.916 30.382 ( 7.173 -2.232 -4.487) 8.750 34.310 ( -1.480 5.227 0.089) 5.434 34.848 ( -2.891 -3.647 -3.082) 5.582 77.776 ( -2.968 18.385 9.620) 20.961 79.565 ( -28.102 24.200 -28.123) 46.543 ======================= Grid point 362 (115/240) ======================= q-point: ( 0.13 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 10.513 7.433 6.025) 14.215 2.116 ( 20.276 12.641 13.679) 27.532 2.964 ( 9.737 2.920 -0.041) 10.165 3.201 ( 27.569 -0.267 -4.902) 28.003 3.615 ( 12.179 14.562 10.361) 21.627 4.559 ( -3.416 1.288 3.785) 5.259 7.084 ( -1.322 -2.454 12.034) 12.353 7.533 ( -6.504 4.791 2.340) 8.410 8.534 ( 17.023 -10.589 -4.370) 20.519 8.804 ( 15.630 -1.222 -6.393) 16.931 10.079 ( -2.765 4.128 5.007) 7.053 10.758 ( -6.504 5.332 -7.207) 11.076 11.450 ( 5.170 -3.814 1.055) 6.511 11.865 ( 10.549 -0.307 -5.497) 11.900 13.038 ( -2.729 2.928 0.409) 4.023 13.534 ( -0.539 -10.526 -13.016) 16.748 15.898 ( -7.163 -11.202 23.981) 27.421 17.429 ( -18.017 1.045 -14.100) 22.902 29.941 ( 9.076 2.194 4.066) 10.184 30.554 ( 9.926 -3.950 -5.611) 12.067 34.274 ( -2.005 4.589 1.421) 5.205 34.777 ( -4.207 -2.602 -2.654) 5.614 77.696 ( -5.140 16.432 8.693) 19.287 78.930 ( -34.136 25.595 -12.193) 44.374 ======================= Grid point 363 (116/240) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 12.972 4.035 3.470) 14.021 2.405 ( 10.330 13.656 15.034) 22.786 3.095 ( 3.361 -2.429 -7.398) 8.481 3.707 ( 20.872 1.834 -6.703) 21.999 4.003 ( 26.502 10.000 11.436) 30.547 4.549 ( 4.930 -3.699 6.383) 8.873 7.063 ( -0.937 -2.945 10.584) 11.026 7.413 ( -5.569 2.095 1.729) 6.196 8.823 ( 12.057 -9.364 -3.504) 15.663 9.047 ( 8.535 0.787 -8.111) 11.800 10.075 ( 2.632 3.215 4.704) 6.276 10.688 ( -0.440 6.170 -6.460) 8.944 11.576 ( 7.853 -4.127 2.326) 9.172 12.067 ( 9.545 1.534 -7.485) 12.227 12.975 ( -3.479 3.457 1.653) 5.176 13.499 ( -2.854 -10.134 -13.774) 17.336 15.743 ( -8.348 -8.099 20.000) 23.136 17.052 ( -20.404 0.867 -10.684) 23.048 30.144 ( 11.616 2.102 3.743) 12.383 30.744 ( 9.311 -4.276 -5.579) 11.666 34.239 ( -1.503 3.515 2.491) 4.563 34.691 ( -4.537 -1.996 -2.309) 5.468 77.585 ( -6.141 13.542 7.470) 16.641 78.326 ( -27.453 21.208 -2.332) 34.769 ======================= Grid point 364 (117/240) ======================= q-point: ( 0.27 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 13.620 1.149 1.603) 13.762 2.551 ( 5.348 10.214 12.196) 16.783 3.115 ( -0.530 -2.394 -5.450) 5.976 3.882 ( -1.560 4.660 -5.385) 7.290 4.562 ( 29.496 2.903 8.582) 30.856 4.821 ( 20.946 -9.077 6.027) 23.610 7.047 ( -0.553 -3.946 8.474) 9.364 7.326 ( -3.301 -1.744 1.828) 4.157 8.990 ( 5.255 -7.515 -3.073) 9.672 9.138 ( 1.741 -0.039 -8.450) 8.628 10.168 ( 6.376 3.869 3.971) 8.449 10.727 ( 3.530 7.420 -6.998) 10.793 11.749 ( 9.568 -2.760 4.606) 10.972 12.213 ( 5.366 3.430 -7.032) 9.488 12.916 ( -2.238 3.258 0.984) 4.073 13.438 ( -3.130 -8.636 -14.436) 17.110 15.594 ( -6.696 -5.308 16.048) 18.181 16.656 ( -20.214 0.753 -7.748) 21.661 30.379 ( 12.397 1.940 3.177) 12.944 30.905 ( 7.221 -3.486 -4.687) 9.288 34.220 ( -0.452 2.244 2.976) 3.755 34.603 ( -4.567 -1.799 -1.789) 5.224 77.466 ( -6.054 10.210 6.291) 13.434 77.878 ( -18.994 14.553 1.967) 24.009 ======================= Grid point 365 (118/240) ======================= q-point: ( 0.33 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 13.130 -1.018 0.296) 13.172 2.622 ( 2.073 4.735 7.221) 8.880 3.096 ( -1.086 -2.086 -1.366) 2.720 3.757 ( -9.575 3.776 -2.196) 10.524 5.088 ( 23.865 -2.718 6.268) 24.824 5.232 ( 19.653 -10.326 4.739) 22.701 7.048 ( 0.833 -5.555 6.078) 8.276 7.283 ( -1.292 -4.595 2.197) 5.254 9.040 ( 0.547 -6.365 -3.095) 7.099 9.150 ( 0.020 -3.037 -8.075) 8.627 10.304 ( 7.389 5.584 2.563) 9.610 10.787 ( 2.103 8.619 -7.108) 11.368 11.914 ( 6.616 0.406 7.060) 9.684 12.282 ( 2.145 3.445 -3.829) 5.579 12.900 ( 0.918 2.615 -2.937) 4.038 13.387 ( -2.116 -5.861 -14.576) 15.852 15.497 ( -3.065 -2.732 12.243) 12.913 16.283 ( -18.131 1.026 -4.885) 18.806 30.613 ( 11.519 1.679 2.361) 11.878 31.019 ( 4.373 -2.278 -3.476) 6.033 34.222 ( 0.749 1.014 2.964) 3.221 34.516 ( -4.439 -1.752 -0.996) 4.875 77.357 ( -5.030 6.961 5.400) 10.144 77.581 ( -11.985 8.692 3.576) 15.231 ======================= Grid point 366 (119/240) ======================= q-point: ( 0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 11.139 -2.601 -0.795) 11.467 2.638 ( -0.106 -0.820 2.021) 2.184 3.086 ( 0.323 -1.406 2.733) 3.090 3.549 ( -11.277 2.543 0.252) 11.563 5.465 ( 14.905 -7.014 5.059) 17.232 5.543 ( 12.047 -10.719 4.472) 16.734 7.081 ( 2.367 -7.520 4.122) 8.897 7.267 ( -0.630 -5.578 2.437) 6.119 9.038 ( -0.215 -6.831 -4.082) 7.961 9.143 ( -0.711 -5.652 -6.938) 8.977 10.447 ( 7.223 7.700 0.251) 10.561 10.796 ( -1.279 9.328 -5.633) 10.971 11.996 ( 2.353 2.508 7.630) 8.369 12.296 ( -0.810 3.634 1.121) 3.888 12.967 ( 5.930 1.367 -8.174) 10.190 13.344 ( -2.795 -2.558 -13.969) 14.473 15.480 ( 1.276 -0.489 8.552) 8.661 15.964 ( -14.592 1.469 -1.762) 14.771 30.816 ( 9.299 1.279 1.340) 9.482 31.071 ( 1.019 -1.067 -2.206) 2.654 34.248 ( 1.885 -0.036 2.578) 3.193 34.432 ( -4.127 -1.650 -0.016) 4.444 77.277 ( -3.075 4.249 4.803) 7.112 77.403 ( -6.756 4.825 4.165) 9.288 ======================= Grid point 367 (120/240) ======================= q-point: ( 0.47 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 1.113 -4.991 -0.507) 5.138 2.642 ( 3.585 -3.029 -2.186) 5.178 3.115 ( 2.451 -0.739 4.197) 4.917 3.352 ( -7.634 1.877 2.780) 8.338 5.663 ( 5.601 -9.898 4.600) 12.268 5.691 ( 3.290 -10.429 4.405) 11.790 7.125 ( 1.646 -9.302 2.827) 9.860 7.255 ( -0.541 -5.117 2.759) 5.838 9.038 ( 0.103 -7.616 -5.385) 9.328 9.128 ( -0.555 -7.120 -5.648) 9.106 10.571 ( 4.864 9.837 -3.140) 11.414 10.748 ( -2.927 8.927 -2.470) 9.714 12.026 ( 0.919 2.615 6.872) 7.410 12.266 ( -1.438 4.415 4.170) 6.241 13.099 ( 6.431 0.321 -11.452) 13.139 13.271 ( -4.339 -0.003 -12.741) 13.459 15.544 ( 4.992 0.973 4.780) 6.980 15.727 ( -9.501 1.673 1.792) 9.812 30.966 ( 5.990 0.667 0.164) 6.030 31.057 ( -2.418 -0.005 -0.928) 2.590 34.294 ( 2.832 -0.842 1.893) 3.509 34.357 ( -3.583 -1.364 1.001) 3.962 77.240 ( -0.814 2.585 4.350) 5.125 77.314 ( -2.399 3.086 4.521) 5.977 ======================= Grid point 375 (121/240) ======================= q-point: ( 0.00 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 21.236 -6.622) 22.245 1.682 ( 0.000 12.243 7.102) 14.154 2.428 ( 0.000 -1.920 -4.026) 4.461 2.973 ( 0.000 -1.298 -7.525) 7.636 3.854 ( 0.000 22.225 16.632) 27.759 4.745 ( 0.000 3.573 7.713) 8.500 7.090 ( 0.000 -1.062 15.084) 15.122 7.778 ( 0.000 3.495 3.456) 4.915 7.867 ( 0.000 -9.660 -1.426) 9.764 8.319 ( 0.000 -1.703 -4.175) 4.509 10.340 ( 0.000 7.458 -3.923) 8.427 11.024 ( 0.000 -0.017 -13.680) 13.680 11.302 ( 0.000 -1.699 2.258) 2.826 11.619 ( 0.000 -0.429 -2.091) 2.135 13.010 ( 0.000 -7.792 -5.054) 9.287 13.391 ( 0.000 -0.570 -9.069) 9.087 15.801 ( 0.000 -8.530 29.232) 30.451 17.794 ( 0.000 -3.387 -19.185) 19.481 29.804 ( 0.000 2.419 3.573) 4.315 30.284 ( 0.000 -1.172 -3.235) 3.440 34.413 ( 0.000 3.047 -1.302) 3.313 34.801 ( 0.000 -2.992 -3.636) 4.708 78.286 ( 0.000 25.712 8.576) 27.104 80.071 ( 0.000 -0.407 -27.096) 27.099 ======================= Grid point 376 (122/240) ======================= q-point: ( 0.07 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 2.941 19.491 -5.610) 20.494 1.916 ( 21.304 11.545 6.481) 25.082 2.632 ( 19.313 -2.191 -4.315) 19.910 2.976 ( 0.960 -1.825 -7.948) 8.211 3.874 ( 2.227 21.160 16.277) 26.789 4.703 ( -4.131 3.302 7.912) 9.517 7.071 ( -1.788 -1.347 14.837) 15.005 7.716 ( -5.007 0.602 1.719) 5.328 8.016 ( 13.267 -7.232 0.448) 15.117 8.469 ( 14.303 -1.218 -4.800) 15.136 10.298 ( -3.878 7.939 -4.081) 9.733 10.962 ( -5.858 0.991 -12.224) 13.591 11.309 ( 1.059 -3.187 1.177) 3.558 11.678 ( 6.256 -0.576 -2.648) 6.817 13.046 ( 2.935 -5.848 -4.920) 8.187 13.375 ( -1.638 -2.022 -9.077) 9.442 15.776 ( -2.620 -8.297 28.195) 29.507 17.690 ( -10.399 -2.877 -18.016) 21.000 29.853 ( 4.992 2.418 3.564) 6.593 30.339 ( 5.527 -1.788 -3.435) 6.749 34.396 ( -1.664 3.053 -0.874) 3.585 34.780 ( -2.104 -2.746 -3.496) 4.918 78.238 ( -4.916 24.579 8.302) 26.405 79.839 ( -22.568 2.819 -22.334) 31.876 ======================= Grid point 377 (123/240) ======================= q-point: ( 0.13 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 5.958 15.989 -5.163) 17.827 2.374 ( 22.495 11.442 8.386) 26.594 2.929 ( 4.609 -5.370 -10.101) 12.333 3.195 ( 26.831 -0.907 -4.348) 27.196 3.961 ( 7.600 16.913 14.873) 23.770 4.598 ( -6.310 2.153 8.459) 10.770 7.029 ( -2.432 -2.575 14.294) 14.727 7.598 ( -7.050 1.020 1.559) 7.292 8.321 ( 16.862 -8.315 1.159) 18.836 8.803 ( 17.990 0.517 -6.611) 19.173 10.218 ( -3.404 8.442 -4.170) 10.012 10.840 ( -5.375 2.308 -9.732) 11.355 11.357 ( 4.059 -4.964 0.039) 6.412 11.853 ( 11.265 -0.640 -4.655) 12.205 13.087 ( 0.642 -0.557 -3.305) 3.413 13.332 ( -2.616 -6.119 -9.965) 11.983 15.701 ( -4.944 -7.439 25.581) 27.095 17.415 ( -17.366 -1.945 -15.184) 23.149 29.991 ( 9.030 2.415 3.516) 9.987 30.482 ( 8.788 -2.882 -3.674) 9.951 34.354 ( -2.567 2.953 0.124) 3.914 34.724 ( -3.522 -2.302 -3.146) 5.254 78.104 ( -8.637 21.466 7.558) 24.341 79.284 ( -32.415 8.075 -12.603) 35.704 ======================= Grid point 378 (124/240) ======================= q-point: ( 0.20 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 8.157 11.176 -4.430) 14.528 2.671 ( 7.234 9.924 7.609) 14.446 3.019 ( 5.715 -3.613 -7.428) 10.045 3.744 ( 25.587 1.324 -4.340) 25.987 4.195 ( 16.539 6.802 11.512) 21.268 4.493 ( -2.414 -0.540 9.245) 9.570 6.979 ( -2.628 -4.613 13.247) 14.271 7.452 ( -7.720 1.300 1.900) 8.056 8.623 ( 13.417 -8.545 0.990) 15.938 9.079 ( 9.045 1.806 -8.416) 12.487 10.202 ( 2.237 8.212 -3.514) 9.208 10.795 ( 1.083 3.730 -8.329) 9.190 11.473 ( 8.173 -5.490 0.811) 9.879 12.086 ( 11.934 0.445 -6.896) 13.790 13.063 ( -2.811 4.040 -0.347) 4.934 13.282 ( -2.375 -9.452 -12.229) 15.637 15.594 ( -5.777 -5.878 22.272) 23.748 17.046 ( -20.144 -1.268 -11.801) 23.381 30.193 ( 11.500 2.375 3.364) 12.215 30.662 ( 9.438 -3.387 -3.481) 10.614 34.304 ( -2.469 2.550 1.149) 3.731 34.648 ( -4.252 -2.031 -2.623) 5.393 77.916 ( -10.493 17.103 6.548) 21.107 78.660 ( -30.715 10.023 -4.354) 32.601 ======================= Grid point 379 (125/240) ======================= q-point: ( 0.27 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 9.344 6.085 -3.391) 11.655 2.717 ( -0.728 2.993 1.699) 3.518 3.099 ( 1.855 3.067 1.728) 3.979 3.983 ( -2.376 4.276 0.361) 4.905 4.569 ( 22.250 -6.456 6.695) 24.116 4.659 ( 18.755 -1.583 6.432) 19.890 6.931 ( -2.239 -6.729 11.308) 13.348 7.312 ( -6.404 0.328 2.395) 6.845 8.821 ( 6.912 -7.662 -0.219) 10.321 9.150 ( -0.584 0.914 -8.729) 8.797 10.295 ( 6.739 7.646 -2.375) 10.466 10.863 ( 4.822 5.147 -7.864) 10.563 11.674 ( 12.248 -4.111 3.009) 13.265 12.279 ( 7.294 2.731 -7.153) 10.575 13.002 ( -2.860 4.536 0.062) 5.363 13.247 ( -0.904 -8.915 -13.856) 16.501 15.495 ( -4.053 -3.874 18.635) 19.460 16.656 ( -19.734 -0.676 -8.424) 21.468 30.424 ( 12.167 2.241 3.039) 12.740 30.835 ( 8.172 -3.070 -2.826) 9.176 34.263 ( -1.630 1.819 1.856) 3.067 34.562 ( -4.504 -1.952 -1.896) 5.262 77.710 ( -10.463 12.408 5.527) 17.146 78.128 ( -23.992 8.570 0.542) 25.483 ======================= Grid point 380 (126/240) ======================= q-point: ( 0.33 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 9.567 1.292 -2.133) 9.887 2.673 ( -3.497 -1.093 -0.723) 3.734 3.104 ( -0.708 3.973 6.136) 7.344 3.821 ( -11.587 1.640 4.042) 12.380 4.998 ( 20.112 -7.809 3.696) 21.890 5.036 ( 18.084 -5.465 5.041) 19.552 6.899 ( -0.831 -8.204 8.499) 11.842 7.211 ( -4.013 -2.107 2.898) 5.380 8.898 ( 1.539 -6.444 -1.722) 6.846 9.103 ( -3.369 -1.531 -7.637) 8.486 10.445 ( 8.407 7.365 -1.585) 11.288 10.942 ( 2.779 5.670 -7.202) 9.578 11.909 ( 10.676 -0.891 5.862) 12.212 12.361 ( 1.724 3.900 -4.406) 6.132 12.970 ( -0.173 3.753 -4.079) 5.546 13.254 ( 1.387 -6.454 -14.175) 15.637 15.450 ( -0.437 -1.676 14.615) 14.718 16.296 ( -17.306 0.200 -5.080) 18.038 30.652 ( 11.130 1.956 2.510) 11.576 30.970 ( 5.624 -2.220 -1.913) 6.342 34.243 ( -0.424 0.901 2.157) 2.376 34.476 ( -4.374 -1.913 -0.992) 4.876 77.521 ( -8.839 8.196 4.719) 12.945 77.738 ( -16.320 5.793 2.890) 17.557 ======================= Grid point 381 (127/240) ======================= q-point: ( 0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 8.117 -3.028 -0.755) 8.697 2.596 ( -3.945 -3.387 -1.121) 5.319 3.094 ( 0.186 2.483 7.389) 7.797 3.582 ( -12.403 0.176 5.167) 13.437 5.307 ( 11.652 -7.812 3.829) 14.542 5.330 ( 11.991 -8.558 4.462) 15.393 6.900 ( 0.817 -8.951 5.488) 10.531 7.154 ( -2.056 -5.073 3.300) 6.391 8.903 ( -0.431 -5.618 -3.080) 6.421 9.039 ( -3.033 -4.089 -5.837) 7.745 10.611 ( 8.559 7.525 -1.872) 11.549 10.959 ( -1.066 5.935 -5.814) 8.376 12.054 ( 4.364 2.650 7.502) 9.075 12.369 ( -0.684 3.082 0.393) 3.181 13.010 ( 4.414 2.683 -9.810) 11.087 13.278 ( 0.477 -3.485 -13.872) 14.310 15.479 ( 3.435 0.440 10.321) 10.886 15.993 ( -13.843 1.243 -1.586) 13.989 30.846 ( 8.705 1.480 1.796) 9.010 31.047 ( 2.254 -1.166 -0.910) 2.696 34.247 ( 0.871 -0.029 2.068) 2.244 34.395 ( -3.898 -1.767 -0.013) 4.280 77.377 ( -5.828 4.978 4.212) 8.746 77.492 ( -9.328 3.399 3.817) 10.637 ======================= Grid point 382 (128/240) ======================= q-point: ( 0.47 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 0.367 -6.199 0.379) 6.222 2.562 ( 1.483 -4.592 -0.924) 4.914 3.120 ( 2.146 1.265 6.826) 7.266 3.375 ( -7.553 0.039 6.091) 9.703 5.456 ( 3.853 -8.971 4.493) 10.747 5.484 ( 3.904 -8.839 4.084) 10.490 6.920 ( 0.786 -9.243 3.322) 9.853 7.127 ( -0.719 -7.073 3.695) 8.013 8.896 ( -0.167 -5.468 -4.231) 6.916 8.994 ( -1.355 -5.481 -4.168) 7.018 10.765 ( 6.810 8.000 -3.499) 11.073 10.904 ( -4.235 5.951 -3.565) 8.127 12.101 ( 1.092 4.237 6.800) 8.086 12.347 ( -1.019 2.849 4.228) 5.199 13.113 ( 4.818 1.054 -13.000) 13.904 13.260 ( -2.019 -1.010 -13.279) 13.469 15.577 ( 6.250 2.002 5.920) 8.838 15.764 ( -9.607 1.780 2.299) 10.038 30.982 ( 5.132 0.802 0.913) 5.274 31.056 ( -1.327 -0.142 0.115) 1.339 34.276 ( 2.065 -0.828 1.625) 2.755 34.327 ( -3.097 -1.420 0.908) 3.526 77.302 ( -1.935 3.090 3.918) 5.352 77.372 ( -3.115 2.238 4.160) 5.658 ======================= Grid point 390 (129/240) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.000 8.195 3.507) 8.914 2.090 ( 0.000 21.840 -14.498) 26.214 2.380 ( 0.000 -2.458 -3.250) 4.075 2.833 ( 0.000 -11.176 -16.154) 19.643 4.300 ( 0.000 18.738 18.738) 26.500 4.777 ( 0.000 -1.274 11.692) 11.761 7.087 ( 0.000 0.559 17.249) 17.258 7.689 ( 0.000 -6.756 1.558) 6.933 7.843 ( 0.000 2.433 1.999) 3.149 8.286 ( 0.000 -1.324 -4.411) 4.605 10.488 ( 0.000 6.040 -11.078) 12.618 10.995 ( 0.000 -2.091 -17.887) 18.009 11.274 ( 0.000 -0.895 2.979) 3.110 11.609 ( 0.000 -0.419 -1.874) 1.920 12.815 ( 0.000 -8.485 -7.701) 11.458 13.437 ( 0.000 3.038 -5.692) 6.452 15.674 ( 0.000 -3.806 28.235) 28.490 17.724 ( 0.000 -2.759 -18.993) 19.192 29.849 ( 0.000 1.629 2.970) 3.387 30.261 ( 0.000 -0.858 -2.894) 3.019 34.458 ( 0.000 1.299 -1.301) 1.838 34.753 ( 0.000 -1.507 -4.339) 4.593 78.838 ( 0.000 25.568 5.423) 26.137 79.911 ( 0.000 -13.308 -14.937) 20.005 ======================= Grid point 391 (130/240) ======================= q-point: ( 0.07 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 6.534 15.391 -5.540) 17.614 2.148 ( 13.896 12.751 -4.453) 19.378 2.578 ( 17.698 -2.883 -4.051) 18.383 2.840 ( 2.171 -10.260 -15.104) 18.388 4.291 ( -0.843 17.277 18.239) 25.137 4.736 ( -4.091 -0.856 11.556) 12.289 7.059 ( -2.776 0.121 17.076) 17.301 7.656 ( -3.091 -4.838 1.713) 5.991 7.954 ( 10.624 0.238 2.432) 10.902 8.447 ( 15.535 -0.875 -4.980) 16.337 10.460 ( -2.697 6.723 -11.188) 13.328 10.954 ( -4.398 -1.353 -16.385) 17.019 11.248 ( -1.487 -2.375 1.865) 3.366 11.669 ( 6.188 -0.297 -2.575) 6.709 12.873 ( 5.142 -7.974 -8.229) 12.560 13.408 ( -2.908 2.918 -4.935) 6.429 15.651 ( -2.354 -3.778 27.572) 27.929 17.628 ( -9.662 -2.512 -18.052) 20.629 29.898 ( 5.008 1.641 2.988) 6.058 30.308 ( 4.722 -1.110 -2.858) 5.630 34.442 ( -1.608 1.344 -1.038) 2.339 34.735 ( -1.850 -1.454 -4.157) 4.776 78.762 ( -7.690 24.113 5.412) 25.882 79.738 ( -17.074 -10.858 -12.736) 23.908 ======================= Grid point 392 (131/240) ======================= q-point: ( 0.13 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 1.968 17.980 -11.583) 21.478 2.572 ( 22.017 6.499 3.204) 23.178 2.762 ( 3.139 -9.936 -12.318) 16.134 3.160 ( 29.067 -2.069 -4.635) 29.507 4.274 ( -0.770 11.972 16.919) 20.741 4.632 ( -6.163 0.632 10.924) 12.559 6.987 ( -4.496 -1.249 16.591) 17.235 7.576 ( -5.114 -2.407 1.930) 5.973 8.213 ( 14.968 -2.329 3.335) 15.511 8.812 ( 19.730 0.270 -6.500) 20.775 10.401 ( -2.682 8.081 -11.143) 14.023 10.853 ( -4.445 -0.906 -12.117) 12.938 11.258 ( 2.867 -3.869 -0.876) 4.894 11.843 ( 11.460 -0.296 -4.553) 12.334 12.975 ( 4.689 -6.821 -9.466) 12.575 13.327 ( -5.337 2.645 -3.094) 6.712 15.587 ( -4.078 -3.522 25.786) 26.343 17.369 ( -16.573 -1.991 -15.577) 22.831 30.036 ( 9.051 1.677 3.015) 9.686 30.435 ( 8.022 -1.623 -2.671) 8.609 34.399 ( -2.647 1.408 -0.370) 3.021 34.684 ( -3.300 -1.367 -3.648) 5.105 78.554 ( -13.353 20.279 5.320) 24.857 79.297 ( -27.049 -5.637 -7.703) 28.684 ======================= Grid point 393 (132/240) ======================= q-point: ( 0.20 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 2.949 14.396 -9.992) 17.770 2.691 ( -1.684 -7.874 -11.132) 13.739 3.050 ( 17.255 5.800 6.215) 19.236 3.753 ( 29.827 -0.343 -3.638) 30.050 4.254 ( -2.018 -0.037 15.892) 16.020 4.546 ( -0.249 4.123 8.551) 9.496 6.892 ( -5.145 -3.246 15.576) 16.721 7.461 ( -6.626 -0.278 2.199) 6.986 8.492 ( 13.053 -3.791 3.253) 13.976 9.111 ( 9.308 1.065 -8.238) 12.475 10.386 ( 1.564 8.309 -10.096) 13.169 10.833 ( 2.803 -0.135 -9.043) 9.468 11.365 ( 8.524 -4.118 -0.877) 9.507 12.090 ( 13.384 0.072 -6.696) 14.966 13.041 ( 2.104 -5.476 -11.066) 12.525 13.212 ( -6.176 2.255 -1.286) 6.699 15.503 ( -4.278 -2.812 23.241) 23.798 17.013 ( -19.531 -1.497 -12.268) 23.113 30.237 ( 11.464 1.708 2.989) 11.969 30.605 ( 9.290 -1.964 -2.226) 9.753 34.345 ( -2.851 1.341 0.438) 3.181 34.611 ( -4.182 -1.337 -2.889) 5.256 78.265 ( -15.941 15.295 5.062) 22.664 78.747 ( -28.606 -1.174 -2.644) 28.752 ======================= Grid point 394 (133/240) ======================= q-point: ( 0.27 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 3.713 9.762 -7.563) 12.895 2.645 ( -2.891 -8.021 -9.577) 12.822 3.256 ( 4.034 9.279 10.906) 14.876 4.028 ( -7.292 -0.652 8.382) 11.129 4.406 ( 23.661 -5.816 3.820) 24.663 4.678 ( 12.547 1.114 5.048) 13.570 6.798 ( -4.219 -5.108 13.782) 15.292 7.325 ( -7.249 0.613 2.528) 7.701 8.695 ( 7.629 -4.069 1.397) 8.758 9.167 ( -2.154 0.644 -8.632) 8.919 10.458 ( 5.599 7.035 -7.891) 11.962 10.930 ( 5.696 1.178 -7.222) 9.273 11.594 ( 14.677 -3.001 1.381) 15.044 12.323 ( 9.626 1.428 -7.029) 12.005 13.060 ( -0.498 -2.548 -11.105) 11.405 13.115 ( -2.357 -0.009 -3.075) 3.874 15.436 ( -2.221 -1.726 20.001) 20.197 16.636 ( -18.955 -0.979 -8.687) 20.874 30.467 ( 11.996 1.665 2.845) 12.440 30.782 ( 8.642 -1.915 -1.538) 8.985 34.294 ( -2.298 1.057 1.136) 2.773 34.526 ( -4.496 -1.351 -1.963) 5.088 77.957 ( -15.530 10.405 4.647) 19.263 78.227 ( -24.536 1.053 0.895) 24.575 ======================= Grid point 395 (134/240) ======================= q-point: ( 0.33 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 3.857 4.411 -4.541) 7.413 2.582 ( -3.614 -6.492 -6.224) 9.693 3.249 ( -3.281 8.307 12.303) 15.203 3.805 ( -13.307 -3.132 10.810) 17.429 4.852 ( 20.369 -4.461 1.553) 20.909 4.954 ( 14.375 -3.110 3.620) 15.146 6.740 ( -1.594 -6.115 11.163) 12.827 7.186 ( -6.966 -0.524 2.912) 7.569 8.791 ( 2.653 -3.519 -1.067) 4.534 9.081 ( -5.721 -0.651 -7.444) 9.411 10.591 ( 7.782 5.915 -5.341) 11.139 11.017 ( 2.994 1.567 -6.124) 6.995 11.885 ( 13.918 -1.065 4.681) 14.723 12.434 ( 1.793 2.703 -3.677) 4.903 13.035 ( -0.269 1.781 -9.122) 9.298 13.141 ( 3.478 -3.461 -10.585) 11.666 15.428 ( 1.501 -0.492 15.915) 15.993 16.294 ( -16.171 -0.211 -5.092) 16.955 30.690 ( 10.763 1.482 2.553) 11.161 30.930 ( 6.470 -1.510 -0.720) 6.683 34.259 ( -1.239 0.590 1.572) 2.086 34.441 ( -4.294 -1.328 -0.960) 4.596 77.680 ( -12.795 6.457 4.193) 14.933 77.815 ( -17.895 1.462 2.815) 18.174 ======================= Grid point 396 (135/240) ======================= q-point: ( 0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 2.892 -1.208 -1.140) 3.335 2.509 ( -3.665 -4.284 -2.013) 5.986 3.181 ( -2.680 5.106 11.186) 12.584 3.549 ( -12.516 -3.109 10.209) 16.448 5.168 ( 11.958 -4.520 2.385) 13.004 5.194 ( 10.058 -4.673 3.480) 11.624 6.739 ( 1.344 -5.800 7.998) 9.970 7.061 ( -5.883 -3.511 3.540) 7.712 8.815 ( 0.404 -2.638 -2.807) 3.874 8.973 ( -4.996 -2.152 -5.667) 7.855 10.747 ( 8.109 5.098 -3.844) 10.321 11.041 ( -0.480 2.036 -5.231) 5.634 12.096 ( 7.650 1.280 7.299) 10.651 12.420 ( -2.364 1.695 1.228) 3.157 13.069 ( 3.485 2.575 -13.159) 13.854 13.209 ( 2.779 -2.783 -12.458) 13.064 15.493 ( 5.136 0.731 11.226) 12.367 16.014 ( -12.780 0.724 -1.474) 12.886 30.874 ( 8.124 1.124 2.112) 8.469 31.025 ( 3.229 -0.887 0.116) 3.351 34.247 ( 0.068 0.039 1.670) 1.672 34.363 ( -3.648 -1.198 0.012) 3.840 77.472 ( -8.411 3.808 3.846) 10.002 77.539 ( -10.596 1.046 3.619) 11.246 ======================= Grid point 397 (136/240) ======================= q-point: ( 0.47 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.299 -3.741 1.591) 4.076 2.460 ( -0.938 -4.590 1.175) 4.830 3.167 ( 1.018 2.990 9.484) 9.997 3.349 ( -6.996 -2.367 9.440) 11.986 5.312 ( 3.468 -4.465 3.648) 6.728 5.334 ( 3.857 -5.209 3.116) 7.191 6.777 ( 1.842 -3.824 5.034) 6.585 6.969 ( -3.116 -7.384 4.757) 9.320 8.820 ( 0.253 -1.699 -3.966) 4.322 8.900 ( -2.236 -3.460 -4.017) 5.754 10.893 ( 6.692 4.179 -3.710) 8.718 10.998 ( -3.947 2.959 -4.277) 6.529 12.192 ( 2.575 4.146 7.033) 8.561 12.372 ( -1.875 -0.507 5.082) 5.441 13.144 ( 3.260 1.811 -14.515) 14.986 13.232 ( -0.229 -1.504 -13.565) 13.650 15.619 ( 7.520 1.707 6.506) 10.089 15.797 ( -9.738 1.245 2.398) 10.106 30.998 ( 4.455 0.639 1.522) 4.751 31.051 ( -0.501 -0.233 0.911) 1.065 34.262 ( 1.408 -0.484 1.413) 2.053 34.302 ( -2.643 -0.925 0.841) 2.924 77.362 ( -2.919 2.446 3.679) 5.295 77.403 ( -3.493 0.683 3.848) 5.241 ======================= Grid point 405 (137/240) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.000 0.000 2.146) 2.146 2.347 ( 0.000 0.000 -2.784) 2.784 2.472 ( 0.000 0.000 -14.766) 14.766 2.565 ( 0.000 -0.000 -19.971) 19.971 4.557 ( 0.000 0.000 19.185) 19.185 4.711 ( 0.000 0.000 12.445) 12.445 7.097 ( 0.000 0.000 18.631) 18.631 7.612 ( 0.000 0.000 2.238) 2.238 7.870 ( 0.000 0.000 1.429) 1.429 8.270 ( 0.000 0.000 -4.492) 4.492 10.559 ( 0.000 0.000 -13.156) 13.156 10.966 ( 0.000 0.000 -20.745) 20.745 11.265 ( 0.000 0.000 3.258) 3.258 11.605 ( 0.000 0.000 -1.791) 1.791 12.718 ( 0.000 0.000 -7.446) 7.446 13.473 ( 0.000 0.000 -5.099) 5.099 15.635 ( 0.000 0.000 27.855) 27.855 17.693 ( 0.000 0.000 -18.972) 18.972 29.867 ( 0.000 0.000 2.723) 2.723 30.252 ( 0.000 0.000 -2.748) 2.748 34.471 ( 0.000 0.000 -1.251) 1.251 34.738 ( 0.000 0.000 -4.665) 4.665 79.210 ( 0.000 0.000 2.410) 2.410 79.666 ( 0.000 -0.000 -8.589) 8.589 ======================= Grid point 407 (138/240) ======================= q-point: ( 0.07 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 18.118 0.000 2.290) 18.262 2.473 ( 2.277 -11.155 -12.856) 17.172 2.473 ( 3.726 11.154 -11.870) 16.709 2.648 ( 14.870 -0.000 -11.473) 18.781 4.521 ( -3.732 0.000 18.994) 19.358 4.686 ( -2.446 0.000 12.024) 12.270 7.064 ( -3.340 0.000 18.401) 18.701 7.594 ( -1.838 0.000 2.241) 2.898 7.964 ( 9.171 0.000 2.139) 9.418 8.436 ( 16.048 0.000 -4.992) 16.806 10.540 ( -1.806 0.000 -13.394) 13.515 10.933 ( -3.934 0.000 -19.104) 19.505 11.221 ( -2.810 0.000 2.378) 3.681 11.666 ( 6.256 0.000 -2.690) 6.810 12.781 ( 5.641 0.000 -7.991) 9.781 13.444 ( -2.988 0.000 -4.328) 5.259 15.612 ( -2.313 0.000 27.313) 27.410 17.600 ( -9.422 0.000 -18.082) 20.389 29.916 ( 5.027 0.000 2.750) 5.730 30.296 ( 4.479 0.000 -2.652) 5.205 34.455 ( -1.556 0.000 -1.043) 1.873 34.720 ( -1.814 0.000 -4.453) 4.808 79.111 ( -10.045 0.000 2.717) 10.406 79.528 ( -13.830 -0.000 -7.340) 15.658 ======================= Grid point 409 (139/240) ======================= q-point: ( 0.13 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 1.534 0.000 -11.453) 11.555 2.490 ( -1.005 -0.000 -16.387) 16.418 2.677 ( 23.897 0.000 2.405) 24.018 3.132 ( 30.647 0.000 -4.180) 30.931 4.415 ( -7.198 0.000 18.535) 19.883 4.629 ( -2.971 0.000 10.673) 11.079 6.975 ( -5.608 0.000 17.754) 18.618 7.542 ( -3.556 0.000 2.234) 4.199 8.194 ( 13.665 0.000 3.510) 14.108 8.814 ( 20.406 0.000 -6.392) 21.383 10.502 ( -1.685 0.000 -13.740) 13.843 10.831 ( -4.753 0.000 -12.897) 13.745 11.215 ( 2.499 0.000 -1.421) 2.875 11.840 ( 11.466 0.000 -4.815) 12.436 12.895 ( 5.349 0.000 -9.423) 10.836 13.361 ( -5.422 0.000 -2.438) 5.945 15.550 ( -3.833 0.000 25.802) 26.085 17.346 ( -16.280 0.000 -15.691) 22.611 30.055 ( 9.083 0.000 2.803) 9.506 30.417 ( 7.751 0.000 -2.340) 8.096 34.414 ( -2.620 0.000 -0.492) 2.665 34.670 ( -3.282 0.000 -3.861) 5.067 78.842 ( -17.103 0.000 3.387) 17.435 79.163 ( -22.899 -0.000 -4.336) 23.306 ======================= Grid point 411 (140/240) ======================= q-point: ( 0.20 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 0.383 0.000 -11.118) 11.124 2.462 ( -1.801 -0.000 -14.726) 14.836 3.127 ( 19.814 0.000 6.827) 20.957 3.745 ( 31.145 0.000 -3.178) 31.306 4.248 ( -9.676 0.000 18.040) 20.472 4.598 ( 0.654 0.000 8.044) 8.071 6.856 ( -6.394 0.000 16.619) 17.806 7.455 ( -5.448 0.000 2.269) 5.902 8.455 ( 12.444 0.000 3.732) 12.991 9.122 ( 9.449 0.000 -8.126) 12.462 10.491 ( 0.886 0.000 -13.027) 13.057 10.817 ( 3.839 0.000 -8.205) 9.059 11.320 ( 8.750 0.000 -1.970) 8.969 12.091 ( 13.790 0.000 -6.903) 15.421 12.973 ( 2.731 0.000 -11.465) 11.786 13.244 ( -6.292 0.000 -0.512) 6.313 15.474 ( -3.764 0.000 23.515) 23.814 16.996 ( -19.265 0.000 -12.401) 22.911 30.257 ( 11.478 0.000 2.818) 11.819 30.584 ( 9.188 0.000 -1.792) 9.361 34.359 ( -2.929 0.000 0.220) 2.937 34.596 ( -4.196 0.000 -2.997) 5.156 78.477 ( -19.898 0.000 3.958) 20.287 78.685 ( -25.534 -0.000 -1.074) 25.557 ======================= Grid point 413 (141/240) ======================= q-point: ( 0.27 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -2.084 0.000 -11.485) 11.673 2.454 ( 0.696 -0.000 -8.750) 8.777 3.376 ( 5.317 0.000 10.915) 12.142 3.997 ( -11.303 0.000 14.335) 18.255 4.351 ( 26.067 0.000 0.592) 26.073 4.690 ( 9.145 0.000 4.618) 10.245 6.741 ( -5.115 0.000 14.847) 15.704 7.332 ( -7.170 0.000 2.431) 7.571 8.652 ( 7.681 0.000 1.786) 7.886 9.174 ( -2.683 0.000 -8.527) 8.939 10.544 ( 4.561 0.000 -10.428) 11.382 10.933 ( 6.333 0.000 -5.927) 8.674 11.562 ( 15.684 0.000 0.438) 15.690 12.338 ( 10.661 0.000 -7.120) 12.820 13.009 ( 1.317 0.000 -13.900) 13.962 13.139 ( -3.894 0.000 -0.334) 3.909 15.419 ( -1.564 0.000 20.408) 20.467 16.624 ( -18.594 0.000 -8.757) 20.553 30.486 ( 11.944 0.000 2.738) 12.254 30.760 ( 8.763 0.000 -1.063) 8.827 34.305 ( -2.503 0.000 0.890) 2.656 34.511 ( -4.505 0.000 -1.984) 4.923 78.097 ( -18.858 0.000 4.182) 19.316 78.209 ( -23.004 -0.000 1.378) 23.045 ======================= Grid point 415 (142/240) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -1.975 0.000 -7.048) 7.319 2.465 ( 0.233 -0.000 -5.461) 5.466 3.363 ( -4.907 0.000 12.870) 13.774 3.746 ( -13.499 0.000 14.446) 19.771 4.810 ( 20.328 0.000 0.274) 20.330 4.917 ( 12.875 0.000 3.116) 13.246 6.672 ( -1.812 0.000 12.346) 12.478 7.182 ( -8.212 0.000 2.780) 8.670 8.754 ( 3.103 0.000 -0.974) 3.252 9.074 ( -6.538 0.000 -7.356) 9.842 10.660 ( 7.139 0.000 -7.117) 10.080 11.027 ( 3.253 0.000 -5.066) 6.021 11.873 ( 14.967 0.000 4.174) 15.538 12.464 ( 1.962 0.000 -3.168) 3.727 13.040 ( 2.241 0.000 -16.264) 16.418 13.118 ( 1.784 0.000 -4.249) 4.609 15.424 ( 2.193 0.000 16.297) 16.444 16.291 ( -15.633 0.000 -5.090) 16.441 30.707 ( 10.608 0.000 2.537) 10.908 30.913 ( 6.766 0.000 -0.260) 6.771 34.266 ( -1.531 0.000 1.356) 2.045 34.426 ( -4.253 0.000 -0.938) 4.355 77.765 ( -15.097 0.000 4.107) 15.646 77.814 ( -17.497 -0.000 2.772) 17.715 ======================= Grid point 417 (143/240) ======================= q-point: ( 0.40 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -0.965 0.000 -1.959) 2.183 2.453 ( -1.699 -0.000 -1.187) 2.073 3.255 ( -4.805 0.000 12.185) 13.098 3.496 ( -11.832 0.000 12.681) 17.344 5.124 ( 11.955 0.000 1.397) 12.036 5.141 ( 9.575 0.000 3.171) 10.087 6.676 ( 2.185 0.000 9.361) 9.613 7.021 ( -8.199 0.000 3.437) 8.890 8.789 ( 1.020 0.000 -2.790) 2.970 8.950 ( -5.848 0.000 -5.750) 8.202 10.805 ( 7.508 0.000 -4.869) 8.948 11.059 ( 0.029 0.000 -4.631) 4.631 12.109 ( 9.319 0.000 7.144) 11.742 12.438 ( -3.641 0.000 1.920) 4.117 13.101 ( 3.884 0.000 -17.203) 17.636 13.176 ( 3.050 0.000 -9.323) 9.809 15.502 ( 5.765 0.000 11.464) 12.832 16.022 ( -12.264 0.000 -1.459) 12.350 30.887 ( 7.862 0.000 2.211) 8.167 31.015 ( 3.616 0.000 0.514) 3.652 34.248 ( -0.248 0.000 1.517) 1.537 34.350 ( -3.528 0.000 0.030) 3.528 77.523 ( -9.655 0.000 3.910) 10.417 77.540 ( -10.726 -0.000 3.382) 11.246 ======================= Grid point 419 (144/240) ======================= q-point: ( 0.47 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 1.361 0.000 2.070) 2.478 2.402 ( -3.094 0.000 2.429) 3.933 3.217 ( 1.327 0.000 10.637) 10.719 3.305 ( -7.545 0.000 10.882) 13.241 5.271 ( 3.620 0.000 3.159) 4.804 5.273 ( 3.626 -0.000 2.503) 4.406 6.750 ( 5.255 0.000 6.601) 8.438 6.871 ( -7.158 0.000 4.626) 8.522 8.810 ( 1.522 0.000 -3.663) 3.967 8.858 ( -3.590 0.000 -4.472) 5.734 10.938 ( 5.958 0.000 -4.089) 7.226 11.028 ( -3.203 0.000 -4.231) 5.307 12.249 ( 5.835 -0.000 7.348) 9.383 12.351 ( -4.919 0.000 5.328) 7.251 13.174 ( 3.160 0.000 -15.750) 16.064 13.207 ( -0.059 0.000 -12.933) 12.933 15.638 ( 8.069 0.000 6.651) 10.457 15.811 ( -9.805 0.000 2.354) 10.084 31.005 ( 4.217 0.000 1.763) 4.571 31.048 ( -0.214 0.000 1.196) 1.216 34.257 ( 1.136 0.000 1.333) 1.751 34.292 ( -2.444 0.000 0.818) 2.577 77.398 ( -3.256 0.000 3.734) 4.954 77.401 ( -3.649 -0.000 3.602) 5.128 ======================= Grid point 495 (145/240) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 0.000 19.537) 19.537 1.968 ( 0.000 0.000 25.261) 25.261 2.340 ( 0.000 0.000 -8.191) 8.191 2.748 ( 0.000 0.000 20.628) 20.628 3.251 ( 0.000 0.000 6.944) 6.944 4.418 ( 0.000 0.000 -10.543) 10.543 7.556 ( 0.000 0.000 9.509) 9.509 7.798 ( 0.000 0.000 8.789) 8.789 8.068 ( 0.000 0.000 -7.082) 7.082 8.290 ( 0.000 0.000 -5.556) 5.556 10.384 ( 0.000 0.000 9.147) 9.147 10.732 ( 0.000 0.000 -1.768) 1.768 11.416 ( 0.000 0.000 1.084) 1.084 11.557 ( 0.000 0.000 -3.084) 3.084 13.106 ( 0.000 0.000 3.104) 3.104 13.563 ( 0.000 0.000 -9.149) 9.149 16.868 ( 0.000 0.000 4.438) 4.438 17.380 ( 0.000 0.000 -10.143) 10.143 29.821 ( 0.000 0.000 6.460) 6.460 30.231 ( 0.000 0.000 -5.561) 5.561 34.268 ( 0.000 0.000 8.711) 8.711 34.863 ( 0.000 0.000 -8.690) 8.690 77.699 ( 0.000 0.000 9.702) 9.702 78.384 ( 0.000 0.000 -10.422) 10.422 ======================= Grid point 496 (146/240) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 17.034 0.000 18.534) 25.173 2.006 ( 4.296 0.000 23.225) 23.619 2.560 ( 20.613 0.000 -8.378) 22.250 2.782 ( 4.254 0.000 15.593) 16.163 3.301 ( 5.768 0.000 10.029) 11.569 4.417 ( 0.218 0.000 -9.709) 9.711 7.507 ( -4.076 0.000 7.167) 8.245 7.560 ( -13.924 0.000 7.681) 15.902 8.357 ( 18.692 0.000 -6.026) 19.639 8.431 ( 13.000 0.000 -3.999) 13.601 10.342 ( -3.617 0.000 8.231) 8.991 10.660 ( -6.486 0.000 -1.413) 6.638 11.463 ( 4.578 0.000 1.238) 4.742 11.613 ( 5.114 0.000 -3.677) 6.298 13.093 ( -1.354 0.000 3.380) 3.641 13.566 ( 0.021 0.000 -9.855) 9.855 16.772 ( -9.424 0.000 6.237) 11.300 17.308 ( -7.307 0.000 -10.026) 12.406 29.869 ( 4.920 0.000 6.450) 8.112 30.307 ( 7.295 0.000 -7.006) 10.114 34.266 ( -0.215 0.000 8.480) 8.483 34.831 ( -3.092 0.000 -7.789) 8.380 77.675 ( -2.362 0.000 9.109) 9.410 78.245 ( -13.048 0.000 -5.908) 14.323 ======================= Grid point 497 (147/240) ======================= q-point: ( 0.13 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 12.458 0.000 20.488) 23.979 2.131 ( 8.218 0.000 19.633) 21.284 2.917 ( 8.200 0.000 0.529) 8.217 3.027 ( 24.560 0.000 -11.187) 26.988 3.531 ( 19.847 0.000 17.405) 26.398 4.455 ( 4.967 0.000 -6.495) 8.176 7.351 ( -7.581 0.000 7.836) 10.903 7.433 ( -3.058 0.000 3.920) 4.972 8.676 ( 13.528 0.000 -6.082) 14.832 8.723 ( 15.488 0.000 -2.863) 15.751 10.276 ( -2.564 0.000 6.234) 6.740 10.526 ( -6.269 0.000 -1.028) 6.352 11.580 ( 7.269 0.000 1.477) 7.417 11.730 ( 6.584 0.000 -4.480) 7.964 13.053 ( -2.811 0.000 3.827) 4.749 13.548 ( -2.193 0.000 -11.096) 11.311 16.532 ( -14.513 0.000 9.089) 17.124 17.106 ( -13.291 0.000 -9.621) 16.408 30.004 ( 8.806 0.000 6.312) 10.834 30.482 ( 10.096 0.000 -8.972) 13.506 34.261 ( -0.202 0.000 7.849) 7.851 34.756 ( -4.362 0.000 -6.085) 7.487 77.613 ( -3.876 0.000 7.650) 8.576 77.950 ( -15.827 0.000 1.222) 15.875 ======================= Grid point 498 (148/240) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 7.154 0.000 20.270) 21.495 2.306 ( 9.448 0.000 15.292) 17.976 3.043 ( 4.731 0.000 -5.249) 7.066 3.398 ( 11.894 0.000 -15.153) 19.264 4.064 ( 33.159 0.000 16.510) 37.042 4.665 ( 17.545 0.000 -1.219) 17.588 7.256 ( -2.659 0.000 6.551) 7.070 7.394 ( -0.995 0.000 1.498) 1.798 8.875 ( 7.354 0.000 -5.023) 8.906 8.980 ( 10.240 0.000 -3.028) 10.678 10.253 ( 0.053 0.000 4.598) 4.599 10.443 ( -2.161 0.000 -1.390) 2.569 11.735 ( 8.515 0.000 2.073) 8.764 11.866 ( 7.589 0.000 -4.375) 8.760 12.985 ( -4.215 0.000 3.705) 5.612 13.477 ( -5.130 0.000 -12.077) 13.121 16.238 ( -15.323 0.000 10.149) 18.380 16.810 ( -16.905 0.000 -8.794) 19.055 30.199 ( 11.026 0.000 5.833) 12.473 30.675 ( 9.433 0.000 -9.191) 13.170 34.260 ( 0.128 0.000 6.954) 6.956 34.671 ( -4.264 0.000 -4.633) 6.297 77.533 ( -4.258 0.000 6.007) 7.363 77.674 ( -12.205 0.000 4.902) 13.152 ======================= Grid point 499 (149/240) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 6.550 0.000 15.498) 16.826 2.481 ( 8.355 0.000 10.789) 13.645 3.112 ( 2.682 0.000 -3.684) 4.557 3.495 ( -0.224 0.000 -14.904) 14.906 4.728 ( 33.789 0.000 12.247) 35.940 5.094 ( 24.622 0.000 1.387) 24.661 7.237 ( 0.490 0.000 5.295) 5.317 7.392 ( 0.625 0.000 0.051) 0.627 8.976 ( 3.476 0.000 -5.148) 6.212 9.110 ( 3.596 0.000 -3.759) 5.202 10.270 ( 1.504 0.000 3.901) 4.181 10.432 ( 0.482 0.000 -2.255) 2.306 11.897 ( 7.870 0.000 3.533) 8.627 12.024 ( 8.614 0.000 -3.230) 9.200 12.895 ( -4.842 0.000 2.432) 5.419 13.358 ( -6.817 0.000 -12.930) 14.617 15.959 ( -13.151 0.000 9.349) 16.135 16.471 ( -17.640 0.000 -7.397) 19.129 30.419 ( 11.458 0.000 4.876) 12.452 30.838 ( 7.321 0.000 -7.999) 10.844 34.268 ( 0.698 0.000 5.913) 5.954 34.593 ( -3.768 0.000 -3.405) 5.079 77.454 ( -3.792 0.000 4.738) 6.068 77.483 ( -7.673 0.000 5.762) 9.595 ======================= Grid point 500 (150/240) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 6.566 0.000 9.213) 11.314 2.619 ( 5.778 0.000 6.210) 8.483 3.154 ( 1.724 0.000 -1.264) 2.137 3.441 ( -4.443 0.000 -11.103) 11.959 5.327 ( 27.406 0.000 8.826) 28.793 5.549 ( 21.224 0.000 2.080) 21.326 7.269 ( 2.674 0.000 4.620) 5.338 7.412 ( 1.299 0.000 -0.166) 1.309 9.024 ( 1.818 0.000 -6.730) 6.971 9.141 ( 0.130 0.000 -5.310) 5.312 10.304 ( 1.912 0.000 3.614) 4.088 10.441 ( 0.097 0.000 -2.209) 2.211 12.028 ( 5.485 0.000 5.402) 7.698 12.180 ( 6.642 0.000 -1.013) 6.719 12.813 ( -2.952 0.000 -0.667) 3.027 13.225 ( -6.700 0.000 -13.619) 15.178 15.742 ( -8.970 0.000 7.548) 11.723 16.145 ( -15.716 0.000 -5.369) 16.607 30.632 ( 10.346 0.000 3.459) 10.909 30.954 ( 4.578 0.000 -6.210) 7.715 34.288 ( 1.348 0.000 4.773) 4.959 34.525 ( -3.308 0.000 -2.135) 3.937 77.371 ( -4.117 0.000 5.528) 6.893 77.389 ( -2.941 0.000 4.055) 5.009 ======================= Grid point 501 (151/240) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 5.912 0.000 3.158) 6.702 2.699 ( 2.392 0.000 1.630) 2.895 3.183 ( 1.414 0.000 0.873) 1.662 3.348 ( -4.842 0.000 -5.709) 7.485 5.767 ( 17.744 0.000 6.239) 18.809 5.885 ( 13.108 0.000 2.530) 13.350 7.332 ( 3.630 0.000 4.218) 5.565 7.434 ( 0.746 0.000 0.797) 1.091 9.054 ( 1.426 0.000 -8.717) 8.833 9.130 ( -0.975 0.000 -7.564) 7.626 10.342 ( 1.912 0.000 3.226) 3.750 10.433 ( -0.905 0.000 -0.837) 1.233 12.110 ( 3.235 0.000 6.445) 7.211 12.252 ( 0.573 0.000 2.520) 2.584 12.805 ( 2.362 0.000 -5.702) 6.172 13.104 ( -5.822 0.000 -13.466) 14.671 15.619 ( -3.695 0.000 5.298) 6.459 15.875 ( -11.940 0.000 -2.822) 12.269 30.812 ( 8.101 0.000 1.707) 8.279 31.013 ( 1.454 0.000 -4.243) 4.485 34.320 ( 1.926 0.000 3.531) 4.022 34.465 ( -2.962 0.000 -0.738) 3.053 77.316 ( -1.677 0.000 5.029) 5.301 77.341 ( -2.016 0.000 3.901) 4.391 ======================= Grid point 502 (152/240) ======================= q-point: ( 0.47 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 4.210 0.000 -1.106) 4.353 2.710 ( -1.252 0.000 -1.618) 2.046 3.214 ( 1.978 0.000 1.668) 2.587 3.266 ( -3.472 0.000 -0.576) 3.519 6.008 ( 7.163 0.000 4.388) 8.400 6.045 ( 3.259 0.000 3.205) 4.571 7.397 ( 2.816 0.000 3.532) 4.517 7.434 ( -0.902 0.000 2.290) 2.462 9.081 ( 1.406 0.000 -9.883) 9.983 9.108 ( -1.296 0.000 -9.442) 9.530 10.377 ( 1.761 0.000 2.425) 2.996 10.409 ( -1.478 0.000 0.994) 1.781 12.166 ( 2.795 0.000 6.119) 6.727 12.222 ( -2.811 0.000 4.916) 5.663 12.887 ( 5.388 0.000 -9.616) 11.022 12.995 ( -5.579 0.000 -12.049) 13.278 15.601 ( 1.857 0.000 2.751) 3.319 15.689 ( -7.165 0.000 -0.019) 7.165 30.941 ( 5.152 0.000 -0.229) 5.157 31.009 ( -1.868 0.000 -2.234) 2.912 34.361 ( 2.362 0.000 2.176) 3.212 34.410 ( -2.679 0.000 0.731) 2.777 77.301 ( -0.063 0.000 4.524) 4.524 77.311 ( -1.070 0.000 4.111) 4.248 ======================= Grid point 510 (153/240) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.000 4.838 17.653) 18.304 1.790 ( 0.000 -12.225 26.167) 28.882 2.340 ( 0.000 -0.013 -7.916) 7.916 2.846 ( 0.000 3.850 3.988) 5.543 3.378 ( 0.000 13.619 17.074) 21.841 4.488 ( 0.000 6.320 -8.090) 10.266 7.496 ( 0.000 -4.679 10.764) 11.738 7.807 ( 0.000 0.808 8.233) 8.273 8.036 ( 0.000 -3.280 -7.747) 8.412 8.281 ( 0.000 -0.895 -5.573) 5.644 10.370 ( 0.000 -1.192 9.993) 10.064 10.762 ( 0.000 2.372 -3.891) 4.556 11.405 ( 0.000 -0.988 1.434) 1.742 11.562 ( 0.000 0.335 -3.112) 3.130 13.087 ( 0.000 -1.433 1.899) 2.379 13.482 ( 0.000 -7.339 -9.447) 11.963 16.738 ( 0.000 -10.189 10.619) 14.716 17.430 ( 0.000 2.825 -14.046) 14.327 29.830 ( 0.000 0.907 6.222) 6.288 30.227 ( 0.000 -0.324 -5.411) 5.420 34.300 ( 0.000 2.679 7.003) 7.498 34.836 ( 0.000 -2.449 -7.919) 8.289 77.765 ( 0.000 7.991 12.247) 14.623 78.692 ( 0.000 24.469 -18.889) 30.911 ======================= Grid point 511 (154/240) ======================= q-point: ( 0.07 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 10.112 -1.389 19.403) 21.924 1.895 ( 13.452 -4.909 21.403) 25.752 2.550 ( 19.833 -0.500 -8.123) 21.438 2.860 ( 1.942 2.833 1.648) 3.809 3.430 ( 5.913 13.243 17.961) 23.085 4.481 ( -0.435 5.786 -7.276) 9.306 7.430 ( -5.396 -3.880 9.695) 11.755 7.640 ( -9.943 4.255 4.374) 11.666 8.267 ( 16.535 -6.335 -4.263) 18.213 8.439 ( 13.913 -0.798 -5.271) 14.900 10.323 ( -4.170 -1.636 9.236) 10.265 10.691 ( -6.372 2.501 -3.570) 7.720 11.448 ( 4.170 -1.307 1.666) 4.677 11.618 ( 5.285 0.262 -3.698) 6.456 13.076 ( -1.102 -1.183 2.229) 2.754 13.489 ( 0.358 -7.028 -9.962) 12.197 16.661 ( -7.683 -8.939 11.128) 16.210 17.348 ( -8.277 2.289 -13.210) 15.756 29.879 ( 4.923 0.910 6.212) 7.978 30.298 ( 6.839 -0.776 -6.509) 9.473 34.295 ( -0.440 2.498 6.917) 7.367 34.807 ( -2.786 -2.165 -7.209) 8.026 77.736 ( -2.863 7.621 11.648) 14.211 78.542 ( -14.220 23.649 -13.958) 30.924 ======================= Grid point 512 (155/240) ======================= q-point: ( 0.13 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 7.580 -8.999 20.423) 23.570 2.240 ( 17.023 6.978 17.068) 25.096 2.895 ( 6.982 -2.794 -6.740) 10.099 3.048 ( 23.364 1.861 -8.191) 24.828 3.649 ( 17.897 10.883 18.924) 28.229 4.497 ( 3.197 3.821 -4.491) 6.708 7.330 ( -4.462 -1.082 8.408) 9.579 7.487 ( -5.852 3.871 2.621) 7.490 8.589 ( 15.577 -5.931 -4.062) 17.156 8.725 ( 14.130 -1.366 -4.878) 15.011 10.246 ( -2.930 -2.448 7.573) 8.481 10.561 ( -6.058 2.734 -3.102) 7.335 11.555 ( 6.713 -2.139 2.071) 7.344 11.744 ( 7.312 0.888 -4.827) 8.806 13.042 ( -2.442 -0.633 2.862) 3.815 13.479 ( -1.787 -6.361 -10.809) 12.668 16.458 ( -12.683 -6.309 11.843) 18.464 17.126 ( -14.137 1.231 -11.540) 18.290 30.014 ( 8.814 0.921 6.087) 10.752 30.466 ( 9.856 -1.427 -8.085) 12.827 34.285 ( -0.571 2.014 6.632) 6.955 34.738 ( -4.057 -1.621 -5.800) 7.261 77.660 ( -4.764 6.614 10.146) 13.015 78.212 ( -18.185 20.754 -5.376) 28.113 ======================= Grid point 513 (156/240) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 8.865 -8.915 16.757) 20.949 2.483 ( 8.702 10.373 15.737) 20.760 2.998 ( 4.402 -3.738 -7.857) 9.751 3.447 ( 14.153 4.240 -12.156) 19.133 4.125 ( 30.001 5.479 15.633) 34.270 4.661 ( 14.951 -0.377 -0.008) 14.956 7.261 ( -2.665 0.455 6.923) 7.432 7.409 ( -2.415 1.244 1.262) 2.996 8.831 ( 9.024 -3.602 -4.778) 10.828 8.956 ( 9.255 -2.310 -4.104) 10.384 10.225 ( 0.670 -2.282 5.972) 6.428 10.484 ( -1.643 3.362 -3.035) 4.818 11.705 ( 8.774 -2.511 2.548) 9.475 11.891 ( 7.774 1.821 -5.072) 9.459 12.982 ( -3.820 -0.015 2.940) 4.821 13.415 ( -4.676 -5.621 -11.487) 13.616 16.194 ( -14.008 -3.873 11.615) 18.605 16.819 ( -17.210 0.565 -9.805) 19.815 30.209 ( 11.047 0.949 5.652) 12.445 30.658 ( 9.574 -1.514 -8.309) 12.767 34.276 ( -0.279 1.370 6.114) 6.272 34.658 ( -4.099 -1.219 -4.502) 6.209 77.561 ( -5.340 5.243 8.381) 11.236 77.885 ( -14.994 16.130 0.123) 22.023 ======================= Grid point 514 (157/240) ======================= q-point: ( 0.27 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 9.422 -7.024 12.091) 16.861 2.607 ( 4.653 7.752 10.766) 14.059 3.068 ( 2.955 -2.880 -4.387) 6.022 3.574 ( 0.424 6.663 -11.931) 13.672 4.738 ( 31.641 0.814 11.386) 33.637 5.052 ( 23.331 -3.962 2.200) 23.767 7.229 ( -0.615 -0.617 5.633) 5.700 7.385 ( -0.333 -0.826 0.403) 0.977 8.949 ( 3.743 -2.249 -5.443) 6.978 9.075 ( 3.292 -3.175 -4.366) 6.323 10.262 ( 2.772 -0.564 4.941) 5.693 10.488 ( 1.445 4.682 -3.297) 5.906 11.884 ( 9.218 -1.429 3.593) 9.996 12.040 ( 7.600 1.549 -3.905) 8.684 12.899 ( -4.561 0.517 1.781) 4.923 13.308 ( -6.077 -4.611 -12.314) 14.485 15.937 ( -12.164 -1.974 10.277) 16.046 16.478 ( -17.591 0.515 -7.871) 19.278 30.430 ( 11.484 0.994 4.773) 12.476 30.826 ( 7.663 -1.086 -7.293) 10.635 34.276 ( 0.325 0.710 5.376) 5.432 34.582 ( -3.714 -1.040 -3.327) 5.094 77.461 ( -4.829 3.845 6.890) 9.251 77.641 ( -10.233 11.076 2.392) 15.268 ======================= Grid point 515 (158/240) ======================= q-point: ( 0.33 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 8.985 -4.540 7.157) 12.352 2.671 ( 2.049 3.029 5.100) 6.275 3.119 ( 2.362 -1.788 -0.544) 3.012 3.520 ( -4.977 6.459 -8.731) 11.946 5.301 ( 25.810 -2.441 8.235) 27.201 5.489 ( 20.544 -5.552 2.684) 21.450 7.239 ( 1.686 -2.548 4.803) 5.693 7.388 ( 0.513 -2.351 0.217) 2.416 8.995 ( 1.455 -2.473 -6.512) 7.116 9.102 ( 0.002 -3.529 -5.619) 6.635 10.320 ( 3.049 1.733 4.300) 5.549 10.518 ( 1.373 6.494 -2.915) 7.249 12.035 ( 5.859 0.506 5.337) 7.942 12.181 ( 6.560 0.264 -1.849) 6.821 12.819 ( -3.066 0.637 -1.074) 3.310 13.193 ( -5.615 -2.999 -13.284) 14.730 15.737 ( -8.234 -0.466 8.251) 11.666 16.154 ( -15.517 0.824 -5.496) 16.482 30.643 ( 10.353 1.027 3.456) 10.963 30.949 ( 4.952 -0.454 -5.676) 7.547 34.289 ( 1.041 0.124 4.448) 4.570 34.514 ( -3.297 -0.993 -2.081) 4.023 77.378 ( -3.586 2.604 5.852) 7.341 77.483 ( -6.287 6.699 3.131) 9.706 ======================= Grid point 516 (159/240) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 7.291 -2.214 2.335) 7.970 2.692 ( 0.277 -1.027 0.813) 1.339 3.161 ( 2.077 -0.909 1.997) 3.021 3.409 ( -6.004 4.903 -4.552) 8.989 5.714 ( 16.587 -4.836 6.005) 18.291 5.815 ( 12.661 -6.443 3.041) 14.528 7.288 ( 3.110 -4.043 4.146) 6.573 7.397 ( 0.251 -3.407 0.850) 3.521 9.015 ( 0.762 -3.379 -7.560) 8.316 9.091 ( -0.852 -3.592 -7.560) 8.413 10.374 ( 2.405 3.750 3.585) 5.718 10.535 ( 0.391 8.122 -1.437) 8.257 12.113 ( 2.599 0.494 6.504) 7.021 12.265 ( 1.537 1.028 1.291) 2.255 12.806 ( 2.051 0.103 -5.756) 6.111 13.092 ( -4.864 -1.153 -13.513) 14.408 15.625 ( -3.313 0.571 5.880) 6.773 15.889 ( -11.680 1.262 -2.704) 12.055 30.823 ( 8.054 0.994 1.811) 8.314 31.015 ( 1.773 0.158 -3.842) 4.234 34.316 ( 1.697 -0.346 3.350) 3.771 34.454 ( -2.937 -0.966 -0.712) 3.173 77.325 ( -1.929 1.523 5.134) 5.692 77.390 ( -3.539 3.728 3.456) 6.194 ======================= Grid point 517 (160/240) ======================= q-point: ( 0.47 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 3.935 -1.314 -1.240) 4.330 2.686 ( -0.997 -2.365 -1.489) 2.967 3.200 ( 1.788 -0.450 2.596) 3.184 3.308 ( -3.769 3.201 -0.492) 4.969 5.938 ( 6.551 -6.337 4.496) 10.163 5.969 ( 3.252 -6.828 3.574) 8.365 7.346 ( 2.463 -4.965 3.351) 6.477 7.392 ( -0.845 -3.705 1.946) 4.270 9.026 ( 0.362 -4.382 -7.896) 9.038 9.076 ( -0.485 -3.297 -9.339) 9.916 10.408 ( 0.999 5.013 2.769) 5.814 10.537 ( -0.065 8.953 0.223) 8.956 12.150 ( 1.284 -0.425 6.747) 6.881 12.256 ( -1.244 2.367 3.155) 4.136 12.883 ( 4.891 -0.394 -9.583) 10.766 12.999 ( -4.755 0.187 -12.429) 13.308 15.609 ( 1.409 0.841 3.275) 3.663 15.710 ( -6.490 1.812 0.231) 6.742 30.950 ( 4.943 0.806 -0.017) 5.008 31.017 ( -1.562 0.674 -1.945) 2.584 34.354 ( 2.205 -0.685 2.094) 3.116 34.401 ( -2.594 -0.873 0.712) 2.828 77.303 ( -0.460 0.813 4.632) 4.725 77.343 ( -1.278 2.329 3.748) 4.594 ======================= Grid point 525 (161/240) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 -4.371 20.454) 20.916 1.681 ( 0.000 7.568 13.248) 15.257 2.337 ( 0.000 -0.279 -7.119) 7.125 2.831 ( 0.000 -4.305 -11.919) 12.672 3.785 ( 0.000 22.827 22.919) 32.347 4.662 ( 0.000 9.639 -2.620) 9.989 7.408 ( 0.000 -3.040 11.816) 12.200 7.831 ( 0.000 1.434 6.751) 6.902 7.938 ( 0.000 -5.566 -6.769) 8.763 8.254 ( 0.000 -1.570 -5.579) 5.795 10.335 ( 0.000 -2.168 7.363) 7.676 10.801 ( 0.000 0.546 -7.438) 7.458 11.380 ( 0.000 -1.203 2.248) 2.549 11.567 ( 0.000 0.140 -3.093) 3.096 13.058 ( 0.000 -1.888 -0.608) 1.984 13.295 ( 0.000 -8.629 -9.014) 12.478 16.510 ( 0.000 -10.697 17.613) 20.607 17.449 ( 0.000 -1.286 -17.653) 17.700 29.857 ( 0.000 1.532 5.580) 5.786 30.218 ( 0.000 -0.587 -4.998) 5.032 34.363 ( 0.000 2.960 3.912) 4.905 34.771 ( 0.000 -3.399 -6.534) 7.365 78.052 ( 0.000 18.675 13.756) 23.195 79.215 ( 0.000 22.218 -26.205) 34.356 ======================= Grid point 526 (162/240) ======================= q-point: ( 0.07 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 3.065 -2.861 18.203) 18.680 1.934 ( 22.043 5.991 13.372) 26.468 2.539 ( 18.736 -0.700 -7.740) 20.284 2.838 ( 1.531 -4.149 -11.423) 12.249 3.816 ( 3.545 21.525 22.007) 30.987 4.641 ( -1.943 8.900 -1.965) 9.319 7.370 ( -3.030 -1.824 10.977) 11.533 7.711 ( -7.655 2.362 1.263) 8.110 8.135 ( 15.366 -5.760 -1.632) 16.491 8.400 ( 12.974 -2.373 -5.568) 14.317 10.282 ( -4.758 -2.130 6.886) 8.636 10.735 ( -5.985 0.952 -7.293) 9.482 11.411 ( 3.020 -2.158 2.557) 4.508 11.620 ( 5.240 -0.070 -3.573) 6.342 13.059 ( -0.178 -0.875 -0.357) 0.961 13.305 ( 0.784 -8.915 -9.079) 12.748 16.455 ( -5.582 -9.900 17.148) 20.573 17.362 ( -8.674 -1.183 -16.623) 18.787 29.905 ( 4.937 1.543 5.572) 7.603 30.278 ( 5.947 -1.053 -5.515) 8.179 34.354 ( -0.823 2.806 4.014) 4.966 34.749 ( -2.179 -3.094 -6.126) 7.200 78.013 ( -3.978 17.990 13.096) 22.604 79.055 ( -15.527 22.220 -21.646) 34.689 ======================= Grid point 527 (163/240) ======================= q-point: ( 0.13 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 6.934 -3.275 15.342) 17.152 2.397 ( 22.078 7.779 12.984) 26.768 2.801 ( 4.830 -5.801 -12.847) 14.900 3.081 ( 25.427 0.930 -7.142) 26.427 3.950 ( 11.268 16.723 18.909) 27.644 4.605 ( -0.957 6.181 -0.016) 6.255 7.313 ( -2.660 -0.663 9.663) 10.044 7.567 ( -7.118 3.399 0.674) 7.917 8.461 ( 16.909 -5.963 -1.919) 18.032 8.679 ( 14.309 -2.124 -5.934) 15.636 10.192 ( -3.446 -2.348 6.012) 7.317 10.614 ( -5.411 1.709 -6.820) 8.872 11.494 ( 5.645 -3.673 3.046) 7.391 11.755 ( 8.328 0.182 -4.998) 9.714 13.043 ( -1.532 0.690 0.367) 1.720 13.307 ( -0.980 -8.924 -9.149) 12.818 16.303 ( -9.794 -7.855 15.933) 20.285 17.131 ( -14.584 -1.011 -14.248) 20.414 30.041 ( 8.850 1.579 5.484) 10.531 30.430 ( 9.295 -1.812 -6.312) 11.381 34.334 ( -1.246 2.364 4.217) 4.992 34.693 ( -3.410 -2.475 -5.215) 6.704 77.906 ( -6.793 16.034 11.389) 20.807 78.675 ( -22.081 20.915 -12.458) 32.867 ======================= Grid point 528 (164/240) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 9.500 -3.724 11.637) 15.478 2.661 ( 5.225 4.172 4.664) 8.152 2.937 ( 9.226 0.305 -2.718) 9.622 3.549 ( 19.085 4.890 -8.664) 21.522 4.275 ( 22.020 8.290 13.639) 27.196 4.653 ( 7.697 -0.239 3.094) 8.300 7.263 ( -2.690 -0.659 8.263) 8.715 7.442 ( -5.530 1.940 0.931) 5.934 8.741 ( 11.233 -4.921 -3.317) 12.704 8.905 ( 8.332 -1.627 -6.110) 10.459 10.176 ( 2.006 -1.895 5.292) 5.969 10.558 ( -0.063 3.144 -6.179) 6.933 11.634 ( 8.824 -4.372 3.334) 10.397 11.926 ( 8.947 1.383 -6.004) 10.863 12.997 ( -3.187 1.599 0.786) 3.651 13.262 ( -3.600 -8.260 -9.354) 12.987 16.094 ( -11.336 -5.314 14.244) 18.964 16.819 ( -17.194 -0.736 -11.533) 20.717 30.237 ( 11.109 1.644 5.160) 12.359 30.619 ( 9.808 -2.008 -6.391) 11.878 34.310 ( -1.099 1.697 4.305) 4.756 34.623 ( -3.730 -1.981 -4.196) 5.953 77.761 ( -7.917 13.116 9.262) 17.903 78.253 ( -20.638 17.273 -4.832) 27.343 ======================= Grid point 529 (165/240) ======================= q-point: ( 0.27 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 10.718 -3.927 7.858) 13.858 2.698 ( 0.065 -0.914 -1.762) 1.986 3.079 ( 5.032 5.803 5.594) 9.501 3.743 ( 1.587 8.915 -8.222) 12.232 4.754 ( 25.951 0.542 9.255) 27.557 4.933 ( 19.801 -7.074 4.353) 21.473 7.209 ( -2.723 -1.679 6.743) 7.463 7.360 ( -2.995 -1.086 1.209) 3.407 8.889 ( 4.379 -3.666 -4.948) 7.557 9.001 ( 2.108 -2.967 -5.733) 6.791 10.257 ( 5.699 0.321 4.823) 7.473 10.601 ( 3.771 5.506 -5.464) 8.625 11.831 ( 11.176 -3.618 3.554) 12.273 12.086 ( 7.240 2.600 -5.110) 9.235 12.924 ( -4.277 1.888 -0.026) 4.675 13.181 ( -4.351 -6.982 -10.301) 13.183 15.884 ( -9.859 -2.826 12.178) 15.922 16.484 ( -17.073 -0.123 -8.718) 19.170 30.459 ( 11.548 1.720 4.478) 12.504 30.797 ( 8.409 -1.529 -5.630) 10.234 34.294 ( -0.499 0.912 4.129) 4.258 34.552 ( -3.587 -1.746 -3.121) 5.065 77.610 ( -7.518 9.726 7.325) 14.310 77.897 ( -15.893 12.356 -0.374) 20.134 ======================= Grid point 530 (166/240) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 10.640 -3.753 4.340) 12.088 2.681 ( -1.619 -2.672 -2.381) 3.928 3.145 ( 2.255 5.062 6.852) 8.812 3.680 ( -6.611 8.277 -5.480) 11.927 5.226 ( 21.896 -4.669 6.683) 23.364 5.328 ( 19.227 -9.307 4.060) 21.743 7.170 ( -1.037 -4.090 5.449) 6.892 7.321 ( -1.262 -3.582 1.116) 3.958 8.930 ( 0.476 -3.739 -5.687) 6.823 9.012 ( -0.407 -4.303 -5.996) 7.392 10.376 ( 6.244 3.406 4.471) 8.400 10.676 ( 3.453 7.771 -4.223) 9.495 12.035 ( 8.728 -0.842 4.593) 9.898 12.203 ( 5.207 2.165 -3.195) 6.482 12.843 ( -3.562 1.605 -2.299) 4.533 13.107 ( -3.086 -4.834 -12.096) 13.387 15.725 ( -6.341 -0.587 9.771) 11.664 16.173 ( -14.772 0.795 -5.666) 15.841 30.673 ( 10.356 1.754 3.420) 11.046 30.937 ( 5.839 -0.686 -4.342) 7.309 34.292 ( 0.311 0.125 3.650) 3.665 34.486 ( -3.263 -1.671 -1.927) 4.142 77.477 ( -6.010 6.431 5.918) 10.606 77.640 ( -10.727 7.708 1.799) 13.331 ======================= Grid point 531 (167/240) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 8.903 -3.193 1.110) 9.523 2.643 ( -2.066 -3.641 -1.581) 4.475 3.179 ( 1.569 2.962 6.099) 6.959 3.527 ( -8.387 6.039 -2.533) 10.640 5.576 ( 13.986 -7.958 5.360) 16.961 5.636 ( 12.027 -9.991 4.043) 16.150 7.171 ( 0.945 -6.916 4.361) 8.231 7.304 ( -0.572 -4.979 0.960) 5.102 8.926 ( -0.511 -4.858 -5.577) 7.414 8.998 ( -0.876 -4.743 -6.922) 8.437 10.489 ( 5.215 6.529 3.730) 9.151 10.723 ( 1.318 8.930 -2.188) 9.288 12.139 ( 2.549 1.964 6.068) 6.868 12.291 ( 3.102 1.633 -1.060) 3.663 12.813 ( 1.006 0.552 -6.130) 6.236 13.055 ( -2.654 -2.349 -13.355) 13.818 15.643 ( -2.122 1.177 7.116) 7.518 15.922 ( -10.970 1.738 -2.387) 11.361 30.851 ( 7.910 1.668 2.059) 8.342 31.019 ( 2.570 0.211 -2.805) 3.810 34.306 ( 1.118 -0.570 2.887) 3.148 34.426 ( -2.858 -1.610 -0.633) 3.341 77.382 ( -3.708 3.760 5.037) 7.298 77.478 ( -6.196 4.348 2.772) 8.061 ======================= Grid point 532 (168/240) ======================= q-point: ( 0.47 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 3.575 -2.416 -1.331) 4.515 2.613 ( -0.600 -4.419 -0.910) 4.551 3.212 ( 1.632 1.732 4.834) 5.388 3.386 ( -5.110 4.099 0.368) 6.561 5.763 ( 5.302 -9.770 4.699) 12.068 5.785 ( 3.339 -10.102 4.223) 11.447 7.193 ( 0.942 -9.042 3.516) 9.747 7.295 ( -0.334 -5.254 1.067) 5.371 8.918 ( -0.241 -5.630 -5.507) 7.879 8.984 ( -0.409 -4.954 -7.479) 8.980 10.567 ( 2.447 9.105 2.545) 9.766 10.731 ( -0.182 8.675 -0.008) 8.677 12.167 ( 0.711 2.077 6.443) 6.807 12.312 ( -0.230 3.011 0.747) 3.111 12.873 ( 3.942 -0.555 -9.744) 10.526 12.996 ( -3.223 -0.552 -13.060) 13.463 15.640 ( 1.429 2.129 4.314) 5.019 15.756 ( -5.817 2.371 0.839) 6.338 30.973 ( 4.462 1.360 0.519) 4.693 31.035 ( -0.843 0.991 -1.187) 1.762 34.334 ( 1.795 -1.108 1.877) 2.823 34.376 ( -2.364 -1.439 0.669) 2.847 77.336 ( -1.151 2.208 4.532) 5.171 77.398 ( -2.114 2.682 3.232) 4.702 ======================= Grid point 540 (169/240) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.000 7.390 7.330) 10.409 1.845 ( 0.000 7.688 8.463) 11.433 2.325 ( 0.000 -0.901 -5.892) 5.960 2.693 ( 0.000 -8.609 -17.459) 19.466 4.269 ( 0.000 22.248 20.666) 30.366 4.863 ( 0.000 8.697 2.995) 9.198 7.378 ( 0.000 0.173 12.266) 12.268 7.821 ( 0.000 -5.347 -3.197) 6.230 7.865 ( 0.000 1.671 4.844) 5.124 8.218 ( 0.000 -1.803 -5.486) 5.774 10.288 ( 0.000 -1.885 -0.231) 1.899 10.758 ( 0.000 -4.824 -12.149) 13.072 11.358 ( 0.000 -0.882 3.096) 3.219 11.567 ( 0.000 -0.187 -2.941) 2.946 12.937 ( 0.000 -8.899 -1.324) 8.996 13.230 ( 0.000 2.082 -7.230) 7.524 16.309 ( 0.000 -8.084 20.484) 22.022 17.389 ( 0.000 -3.803 -19.260) 19.632 29.891 ( 0.000 1.644 4.731) 5.009 30.204 ( 0.000 -0.699 -4.434) 4.489 34.415 ( 0.000 1.959 1.565) 2.507 34.703 ( 0.000 -2.980 -5.598) 6.342 78.502 ( 0.000 23.085 12.239) 26.128 79.552 ( 0.000 9.397 -22.715) 24.582 ======================= Grid point 541 (170/240) ======================= q-point: ( 0.07 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 2.692 7.108 6.638) 10.091 2.076 ( 21.577 6.937 8.498) 24.206 2.514 ( 15.922 -1.881 -7.562) 17.726 2.712 ( 4.240 -7.526 -15.379) 17.639 4.272 ( 0.597 21.018 19.808) 28.887 4.827 ( -3.497 8.136 3.402) 9.487 7.353 ( -2.238 0.243 11.956) 12.166 7.732 ( -5.372 -0.634 -0.633) 5.446 8.041 ( 13.843 -2.841 2.316) 14.320 8.357 ( 13.076 -1.588 -5.888) 14.428 10.244 ( -4.121 -1.174 -0.390) 4.303 10.706 ( -4.757 -3.895 -12.124) 13.594 11.362 ( 0.743 -2.365 3.513) 4.299 11.614 ( 4.931 -0.452 -3.525) 6.078 12.967 ( 2.598 -7.910 -1.807) 8.520 13.224 ( -0.758 1.596 -6.523) 6.758 16.267 ( -4.308 -7.654 19.838) 21.696 17.308 ( -8.220 -3.513 -18.318) 20.383 29.940 ( 4.975 1.667 4.731) 7.065 30.256 ( 5.230 -0.989 -4.570) 7.016 34.404 ( -1.061 1.892 1.737) 2.779 34.686 ( -1.685 -2.791 -5.353) 6.267 78.446 ( -5.745 22.139 11.688) 25.686 79.402 ( -14.887 10.189 -19.605) 26.641 ======================= Grid point 542 (171/240) ======================= q-point: ( 0.13 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 5.603 5.656 5.448) 9.647 2.539 ( 17.617 3.742 3.683) 18.383 2.671 ( 9.731 -4.841 -10.288) 14.966 3.084 ( 28.634 -0.642 -6.264) 29.318 4.308 ( 3.797 16.618 17.015) 24.085 4.740 ( -5.106 6.134 4.559) 9.191 7.300 ( -3.154 -0.458 11.401) 11.838 7.617 ( -6.550 1.067 -0.002) 6.637 8.350 ( 16.637 -4.305 1.812) 17.280 8.657 ( 15.960 -0.057 -7.218) 17.517 10.163 ( -3.094 -0.120 -0.413) 3.123 10.612 ( -3.753 -2.036 -11.577) 12.340 11.404 ( 4.005 -4.626 4.103) 7.367 11.751 ( 8.882 -0.628 -5.269) 10.347 13.011 ( 1.339 -5.594 -2.601) 6.313 13.195 ( -2.355 0.310 -5.010) 5.545 16.149 ( -7.581 -6.386 18.197) 20.722 17.088 ( -13.998 -2.855 -15.894) 21.371 30.077 ( 8.929 1.737 4.688) 10.233 30.395 ( 8.740 -1.514 -4.726) 10.051 34.377 ( -1.719 1.677 2.153) 3.226 34.641 ( -2.847 -2.389 -4.722) 6.009 78.290 ( -10.022 19.493 10.244) 24.194 79.021 ( -23.145 11.239 -12.650) 28.671 ======================= Grid point 543 (172/240) ======================= q-point: ( 0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 7.924 3.426 4.062) 9.541 2.607 ( -0.213 -7.032 -12.203) 14.085 3.055 ( 18.062 8.397 9.491) 22.064 3.631 ( 25.097 2.679 -6.601) 26.089 4.450 ( 11.397 7.632 12.132) 18.311 4.662 ( -1.331 1.404 6.432) 6.717 7.231 ( -4.035 -2.103 10.489) 11.434 7.483 ( -7.057 1.551 0.843) 7.274 8.635 ( 11.903 -4.670 0.431) 12.793 8.901 ( 8.088 0.954 -8.342) 11.658 10.162 ( 3.420 0.784 0.303) 3.522 10.598 ( 2.694 0.510 -10.277) 10.636 11.526 ( 8.748 -5.555 4.343) 11.236 11.944 ( 10.580 0.189 -6.933) 12.651 13.009 ( -1.585 -3.088 -3.306) 4.793 13.132 ( -3.957 -1.276 -4.054) 5.808 15.987 ( -8.749 -4.476 16.096) 18.859 16.788 ( -16.433 -2.067 -12.726) 20.887 30.275 ( 11.209 1.839 4.491) 12.214 30.579 ( 9.934 -1.719 -4.510) 11.045 34.342 ( -1.772 1.291 2.580) 3.386 34.580 ( -3.384 -2.049 -3.864) 5.530 78.073 ( -12.034 15.674 8.392) 21.469 78.555 ( -23.973 10.717 -5.866) 26.907 ======================= Grid point 544 (173/240) ======================= q-point: ( 0.27 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 9.347 0.993 2.743) 9.792 2.598 ( -0.676 -7.145 -10.263) 12.524 3.278 ( 5.496 11.413 12.530) 17.818 3.928 ( 3.668 8.208 -5.475) 10.526 4.731 ( 16.811 -5.488 7.950) 19.389 4.794 ( 15.993 -3.071 6.027) 17.365 7.147 ( -4.499 -3.932 9.064) 10.857 7.355 ( -5.883 0.504 1.458) 6.082 8.795 ( 4.818 -4.705 -1.850) 6.983 8.971 ( 0.059 -0.194 -8.096) 8.099 10.283 ( 8.285 2.201 1.666) 8.733 10.700 ( 6.712 3.641 -8.160) 11.176 11.741 ( 13.037 -4.690 3.907) 14.396 12.137 ( 8.820 2.016 -6.648) 11.228 12.954 ( -3.856 -0.866 -3.946) 5.585 13.055 ( -3.502 -2.872 -5.339) 7.002 15.828 ( -7.326 -2.323 13.755) 15.757 16.471 ( -15.961 -1.069 -9.266) 18.486 30.498 ( 11.618 1.929 4.039) 12.451 30.766 ( 9.107 -1.408 -3.815) 9.974 34.312 ( -1.286 0.742 2.808) 3.177 34.513 ( -3.453 -1.871 -2.845) 4.850 77.839 ( -11.789 11.416 6.641) 17.704 78.123 ( -20.216 8.509 -1.203) 21.966 ======================= Grid point 545 (174/240) ======================= q-point: ( 0.33 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 9.712 -1.227 1.592) 9.917 2.580 ( -1.225 -6.196 -6.811) 9.289 3.311 ( -0.895 9.880 12.156) 15.690 3.848 ( -8.978 7.309 -1.668) 11.697 5.091 ( 18.543 -9.071 5.013) 21.243 5.141 ( 17.431 -6.848 4.623) 19.290 7.067 ( -3.474 -5.448 7.351) 9.787 7.261 ( -3.892 -1.957 1.510) 4.611 8.838 ( 0.123 -4.716 -3.530) 5.892 8.944 ( -2.055 -2.183 -7.236) 7.833 10.456 ( 9.158 4.075 2.911) 10.438 10.820 ( 5.120 5.617 -5.317) 9.276 12.001 ( 12.717 -2.154 3.441) 13.350 12.268 ( 4.682 3.590 -4.208) 7.247 12.873 ( -4.012 0.438 -4.741) 6.226 13.011 ( -1.031 -3.434 -9.320) 9.986 15.716 ( -4.095 -0.262 11.098) 11.833 16.184 ( -13.460 0.203 -5.667) 14.606 30.713 ( 10.320 1.939 3.297) 11.007 30.922 ( 6.789 -0.725 -2.765) 7.366 34.294 ( -0.480 0.096 2.730) 2.773 34.448 ( -3.202 -1.793 -1.703) 4.046 77.628 ( -9.735 7.467 5.333) 13.378 77.785 ( -14.592 5.650 1.354) 15.706 ======================= Grid point 546 (175/240) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 8.373 -3.079 0.576) 8.940 2.552 ( -1.528 -4.668 -2.869) 5.688 3.281 ( -1.464 6.398 9.885) 11.866 3.647 ( -10.824 4.935 0.760) 11.920 5.394 ( 12.198 -9.135 4.338) 15.845 5.425 ( 11.405 -9.255 4.236) 15.287 7.019 ( -1.468 -6.881 5.721) 9.068 7.203 ( -2.124 -4.545 1.144) 5.146 8.822 ( -1.192 -4.704 -4.042) 6.316 8.906 ( -1.685 -3.839 -6.486) 7.723 10.624 ( 7.974 5.994 3.135) 10.457 10.885 ( 1.487 6.211 -2.262) 6.775 12.183 ( 5.272 1.810 4.901) 7.422 12.340 ( 3.286 3.046 -2.455) 5.109 12.825 ( -0.293 0.391 -7.272) 7.288 13.001 ( -0.577 -2.490 -12.548) 12.806 15.672 ( -0.480 1.477 8.134) 8.281 15.957 ( -9.896 1.472 -2.043) 10.211 30.889 ( 7.683 1.799 2.298) 8.218 31.022 ( 3.498 0.092 -1.526) 3.817 34.294 ( 0.430 -0.549 2.321) 2.423 34.391 ( -2.724 -1.697 -0.509) 3.250 77.471 ( -6.326 4.409 4.546) 8.951 77.560 ( -8.671 3.247 2.502) 9.591 ======================= Grid point 547 (176/240) ======================= q-point: ( 0.47 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 0.855 -4.790 0.451) 4.887 2.545 ( 2.129 -3.043 -0.738) 3.787 3.273 ( 0.575 3.998 7.417) 8.445 3.469 ( -6.204 3.495 2.721) 7.622 5.554 ( 4.283 -9.511 4.561) 11.384 5.571 ( 3.638 -9.704 4.022) 11.117 7.005 ( -0.210 -7.951 4.605) 9.190 7.176 ( -0.689 -6.076 0.873) 6.177 8.804 ( -0.522 -4.844 -4.086) 6.359 8.883 ( -0.675 -4.579 -5.997) 7.576 10.752 ( 4.631 7.840 2.168) 9.360 10.881 ( -1.363 5.628 0.498) 5.812 12.230 ( 0.771 3.692 5.436) 6.617 12.381 ( 0.759 3.264 -0.519) 3.391 12.860 ( 2.807 -0.534 -10.443) 10.827 12.976 ( -1.808 -1.296 -13.369) 13.552 15.692 ( 2.233 2.662 5.026) 6.110 15.804 ( -5.591 2.139 1.408) 6.150 31.003 ( 3.957 1.465 1.132) 4.369 31.055 ( -0.080 0.833 -0.238) 0.870 34.310 ( 1.282 -1.093 1.605) 2.327 34.344 ( -2.057 -1.483 0.627) 2.613 77.389 ( -2.142 2.676 4.159) 5.390 77.448 ( -2.907 1.984 2.936) 4.583 ======================= Grid point 555 (177/240) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.000 14.101 -5.712) 15.214 1.987 ( 0.000 5.421 4.684) 7.164 2.300 ( 0.000 -1.431 -4.460) 4.684 2.473 ( 0.000 -12.321 -17.985) 21.800 4.682 ( 0.000 16.442 17.154) 23.761 4.989 ( 0.000 2.560 7.969) 8.370 7.407 ( 0.000 2.246 13.003) 13.196 7.717 ( 0.000 -4.362 0.863) 4.446 7.897 ( 0.000 1.244 3.196) 3.430 8.184 ( 0.000 -1.322 -5.285) 5.448 10.273 ( 0.000 0.669 -8.356) 8.383 10.619 ( 0.000 -7.372 -17.422) 18.917 11.344 ( 0.000 -0.415 3.681) 3.704 11.562 ( 0.000 -0.249 -2.740) 2.751 12.771 ( 0.000 -5.917 2.864) 6.574 13.296 ( 0.000 3.015 -8.131) 8.672 16.181 ( 0.000 -4.071 21.054) 21.443 17.313 ( 0.000 -2.954 -19.973) 20.190 29.921 ( 0.000 1.104 3.980) 4.130 30.190 ( 0.000 -0.519 -3.913) 3.948 34.445 ( 0.000 0.916 0.273) 0.955 34.652 ( 0.000 -1.734 -5.224) 5.505 78.973 ( 0.000 20.592 7.544) 21.930 79.612 ( 0.000 -3.193 -13.549) 13.920 ======================= Grid point 556 (178/240) ======================= q-point: ( 0.07 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 1.383 13.280 -5.344) 14.381 2.205 ( 20.457 4.821 4.657) 21.528 2.427 ( 3.935 -8.066 -12.900) 15.715 2.561 ( 17.045 -5.023 -8.888) 19.869 4.662 ( -1.988 15.394 16.608) 22.732 4.947 ( -4.191 2.565 8.040) 9.422 7.377 ( -2.908 1.840 13.017) 13.464 7.686 ( -2.950 -3.144 0.919) 4.408 8.016 ( 11.463 0.015 3.558) 12.003 8.332 ( 14.235 -0.839 -5.925) 15.442 10.245 ( -2.685 1.340 -8.304) 8.829 10.588 ( -2.838 -6.433 -17.253) 18.630 11.320 ( -1.739 -1.552 4.383) 4.964 11.603 ( 4.411 -0.490 -3.737) 5.802 12.814 ( 3.785 -5.538 2.034) 7.010 13.285 ( -1.217 2.909 -7.257) 7.912 16.145 ( -3.652 -3.889 20.474) 21.158 17.237 ( -7.720 -2.775 -19.081) 20.769 29.971 ( 5.031 1.128 3.986) 6.517 30.238 ( 4.831 -0.651 -3.865) 6.221 34.433 ( -1.141 0.903 0.448) 1.523 34.638 ( -1.429 -1.659 -5.020) 5.476 78.895 ( -7.894 19.549 7.344) 22.325 79.481 ( -13.072 -2.164 -11.823) 17.758 ======================= Grid point 557 (179/240) ======================= q-point: ( 0.13 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 3.133 11.393 -4.778) 12.746 2.428 ( 0.062 -10.292 -14.893) 18.103 2.709 ( 27.644 4.028 5.288) 28.432 3.062 ( 30.634 -1.224 -4.996) 31.063 4.614 ( -2.766 11.717 15.013) 19.244 4.837 ( -6.804 2.604 8.131) 10.918 7.301 ( -4.909 0.515 13.026) 13.930 7.609 ( -4.956 -1.469 0.984) 5.262 8.291 ( 15.472 -1.400 4.175) 16.087 8.664 ( 17.695 0.407 -7.573) 19.252 10.192 ( -1.861 2.661 -7.792) 8.442 10.537 ( -1.320 -4.554 -16.162) 16.843 11.317 ( 2.200 -3.333 5.284) 6.623 11.733 ( 8.855 -0.911 -6.096) 10.789 12.885 ( 2.812 -4.793 0.352) 5.568 13.245 ( -3.024 2.662 -5.296) 6.654 16.046 ( -6.251 -3.302 18.949) 20.224 17.029 ( -13.281 -2.343 -16.659) 21.433 30.109 ( 9.035 1.201 3.971) 9.942 30.369 ( 8.373 -0.911 -3.654) 9.180 34.403 ( -1.917 0.849 0.894) 2.279 34.599 ( -2.541 -1.497 -4.449) 5.338 78.680 ( -13.788 16.742 6.779) 22.723 79.136 ( -21.574 0.025 -7.721) 22.914 ======================= Grid point 558 (180/240) ======================= q-point: ( 0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 4.792 8.629 -3.898) 10.612 2.426 ( 0.019 -9.772 -13.390) 16.577 3.213 ( 22.292 5.811 8.588) 24.586 3.662 ( 29.541 0.463 -5.210) 30.000 4.562 ( -2.760 2.862 13.147) 13.735 4.719 ( -3.499 3.471 7.347) 8.847 7.192 ( -6.224 -1.351 12.697) 14.204 7.498 ( -6.400 -0.031 1.073) 6.489 8.561 ( 11.406 -2.239 3.353) 12.098 8.926 ( 7.959 1.063 -9.121) 12.152 10.208 ( 4.057 3.195 -5.879) 7.825 10.580 ( 6.271 -1.914 -13.918) 15.385 11.420 ( 8.671 -4.075 5.606) 11.101 11.936 ( 11.761 -0.690 -8.217) 14.364 12.909 ( -0.272 -4.080 -1.594) 4.389 13.169 ( -4.754 2.341 -3.620) 6.417 15.915 ( -6.953 -2.306 16.899) 18.418 16.744 ( -15.585 -1.795 -13.265) 20.545 30.309 ( 11.327 1.303 3.857) 12.037 30.549 ( 9.949 -1.051 -3.175) 10.496 34.363 ( -2.127 0.711 1.421) 2.655 34.543 ( -3.186 -1.357 -3.605) 4.999 78.382 ( -16.567 12.951 5.966) 21.858 78.686 ( -24.025 1.784 -3.330) 24.320 ======================= Grid point 559 (181/240) ======================= q-point: ( 0.27 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 6.050 5.336 -2.686) 8.502 2.431 ( 0.560 -8.339 -10.396) 13.339 3.505 ( 7.216 9.148 12.442) 17.046 4.068 ( 6.465 4.805 -3.262) 8.690 4.573 ( 9.917 -7.053 10.442) 16.035 4.779 ( 9.518 -0.089 4.223) 10.413 7.069 ( -6.171 -2.954 11.744) 13.591 7.367 ( -6.988 0.411 1.175) 7.098 8.713 ( 4.462 -2.821 0.482) 5.300 8.976 ( -1.585 0.404 -9.256) 9.399 10.342 ( 9.169 3.019 -2.473) 9.965 10.748 ( 9.500 1.065 -10.235) 14.005 11.651 ( 14.846 -3.387 4.666) 15.927 12.164 ( 11.059 0.549 -8.413) 13.906 12.882 ( -2.182 -3.471 -3.990) 5.721 13.070 ( -5.031 1.818 -3.576) 6.435 15.792 ( -5.451 -1.094 14.530) 15.558 16.446 ( -14.835 -1.094 -9.439) 17.617 30.535 ( 11.680 1.384 3.574) 12.292 30.741 ( 9.537 -0.930 -2.421) 9.884 34.324 ( -1.790 0.457 1.834) 2.603 34.479 ( -3.360 -1.275 -2.581) 4.425 78.060 ( -16.207 9.048 5.091) 19.247 78.238 ( -21.673 2.345 -0.037) 21.800 ======================= Grid point 560 (182/240) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 6.548 1.783 -1.194) 6.891 2.446 ( 0.904 -6.119 -6.530) 8.994 3.523 ( -3.676 9.279 13.439) 16.740 3.961 ( -11.724 2.898 3.540) 12.585 4.909 ( 19.199 -6.728 3.986) 20.731 5.025 ( 13.965 -4.485 2.749) 14.923 6.965 ( -4.369 -3.778 10.032) 11.576 7.234 ( -6.595 -0.735 1.324) 6.766 8.753 ( 0.269 -2.999 -2.237) 3.751 8.913 ( -4.053 -0.919 -8.154) 9.151 10.537 ( 10.430 3.324 0.630) 10.965 10.903 ( 6.066 2.336 -5.652) 8.614 11.958 ( 15.609 -1.633 3.159) 16.009 12.336 ( 6.193 2.498 -5.663) 8.756 12.839 ( -1.944 -2.610 -6.630) 7.386 12.991 ( -2.702 0.715 -6.557) 7.127 15.715 ( -2.397 0.083 11.758) 12.000 16.183 ( -12.111 -0.167 -5.561) 13.328 30.749 ( 10.253 1.383 3.085) 10.796 30.908 ( 7.472 -0.571 -1.477) 7.638 34.296 ( -1.062 0.103 1.997) 2.264 34.415 ( -3.126 -1.219 -1.469) 3.662 77.771 ( -13.342 5.723 4.353) 15.156 77.866 ( -16.508 1.921 1.865) 16.724 ======================= Grid point 561 (183/240) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 5.595 -1.651 0.435) 5.850 2.464 ( 0.909 -3.359 -2.274) 4.157 3.426 ( -4.950 6.686 11.793) 14.432 3.716 ( -12.486 1.361 5.262) 13.617 5.224 ( 12.670 -6.105 2.993) 14.379 5.266 ( 10.136 -5.789 2.995) 12.050 6.906 ( -1.714 -3.612 7.745) 8.715 7.119 ( -5.117 -3.253 1.700) 6.297 8.744 ( -0.811 -2.544 -3.600) 4.482 8.840 ( -3.192 -2.393 -6.650) 7.755 10.729 ( 9.048 3.744 2.108) 10.017 10.978 ( 1.666 2.704 -1.837) 3.669 12.208 ( 9.282 0.651 3.645) 9.993 12.408 ( 1.858 2.885 -2.097) 4.021 12.820 ( 0.373 -0.841 -9.205) 9.251 12.966 ( -0.554 -0.748 -11.224) 11.262 15.700 ( 0.856 1.093 8.574) 8.686 15.981 ( -8.790 0.795 -1.846) 9.017 30.922 ( 7.436 1.256 2.400) 7.914 31.022 ( 4.233 -0.083 -0.451) 4.258 34.285 ( -0.130 -0.291 1.847) 1.874 34.360 ( -2.569 -1.127 -0.368) 2.829 77.555 ( -8.716 3.370 3.883) 10.119 77.607 ( -10.118 1.148 2.698) 10.534 ======================= Grid point 562 (184/240) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 2.000 -2.589 1.974) 3.821 2.481 ( 0.778 -2.760 0.712) 2.955 3.369 ( -0.673 4.715 9.357) 10.500 3.517 ( -6.840 0.750 6.134) 9.218 5.388 ( 4.226 -5.815 3.381) 7.944 5.400 ( 3.576 -6.109 3.047) 7.706 6.892 ( -0.059 -2.468 5.742) 6.250 7.045 ( -2.172 -6.063 2.338) 6.852 8.731 ( -0.368 -1.864 -4.112) 4.530 8.796 ( -1.195 -3.525 -5.517) 6.655 10.877 ( 6.040 3.969 1.985) 7.495 10.970 ( -2.341 2.864 0.801) 3.785 12.310 ( 2.007 3.673 4.340) 6.029 12.428 ( 0.464 0.837 0.460) 1.062 12.857 ( 2.632 0.300 -11.935) 12.225 12.947 ( -1.481 -1.346 -13.272) 13.422 15.742 ( 3.245 1.874 5.200) 6.409 15.841 ( -5.647 1.273 1.665) 6.023 31.031 ( 3.614 1.026 1.564) 4.069 31.068 ( 0.448 0.368 0.563) 0.808 34.292 ( 0.843 -0.652 1.375) 1.740 34.318 ( -1.772 -0.954 0.611) 2.103 77.441 ( -3.013 2.137 3.674) 5.210 77.476 ( -3.398 0.631 2.951) 4.545 ======================= Grid point 570 (185/240) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 0.000 0.000 3.065) 3.065 2.174 ( 0.000 0.000 -13.175) 13.175 2.193 ( 0.000 -0.000 -15.241) 15.241 2.280 ( 0.000 0.000 -3.638) 3.638 4.911 ( 0.000 0.000 14.320) 14.320 4.968 ( 0.000 0.000 11.300) 11.300 7.441 ( 0.000 0.000 13.716) 13.716 7.662 ( 0.000 0.000 2.375) 2.375 7.911 ( 0.000 0.000 2.526) 2.526 8.169 ( 0.000 0.000 -5.163) 5.163 10.295 ( 0.000 0.000 -11.337) 11.337 10.519 ( 0.000 0.000 -20.293) 20.293 11.340 ( 0.000 0.000 3.882) 3.882 11.559 ( 0.000 0.000 -2.647) 2.647 12.707 ( 0.000 0.000 5.137) 5.137 13.330 ( 0.000 0.000 -8.753) 8.753 16.139 ( 0.000 0.000 21.065) 21.065 17.280 ( 0.000 0.000 -20.168) 20.168 29.933 ( 0.000 0.000 3.671) 3.671 30.185 ( 0.000 0.000 -3.693) 3.693 34.454 ( 0.000 0.000 -0.124) 0.124 34.633 ( 0.000 0.000 -5.154) 5.154 79.264 ( 0.000 0.000 2.721) 2.721 79.504 ( 0.000 -0.000 -6.720) 6.720 ======================= Grid point 572 (186/240) ======================= q-point: ( 0.07 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 1.758 0.000 -10.430) 10.577 2.181 ( -0.274 -0.000 -13.846) 13.849 2.275 ( 18.854 0.000 1.157) 18.890 2.514 ( 21.739 0.000 -4.499) 22.200 4.871 ( -4.056 0.000 14.190) 14.758 4.934 ( -3.332 0.000 10.940) 11.437 7.405 ( -3.553 0.000 13.738) 14.190 7.642 ( -1.999 0.000 2.202) 2.974 8.020 ( 10.614 0.000 3.288) 11.111 8.323 ( 14.824 0.000 -5.818) 15.925 10.274 ( -1.984 0.000 -11.302) 11.475 10.500 ( -1.803 0.000 -19.956) 20.037 11.302 ( -2.841 0.000 4.773) 5.555 11.598 ( 4.128 0.000 -3.859) 5.651 12.754 ( 4.156 0.000 4.210) 5.916 13.318 ( -1.322 0.000 -7.877) 7.987 16.104 ( -3.457 0.000 20.526) 20.815 17.206 ( -7.536 0.000 -19.288) 20.708 29.983 ( 5.061 0.000 3.678) 6.257 30.231 ( 4.703 0.000 -3.590) 5.916 34.443 ( -1.151 0.000 0.042) 1.151 34.620 ( -1.359 0.000 -4.948) 5.132 79.170 ( -9.527 0.000 2.912) 9.962 79.390 ( -11.511 -0.000 -5.739) 12.862 ======================= Grid point 574 (187/240) ======================= q-point: ( 0.13 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 0.415 0.001 -12.611) 12.618 2.184 ( 1.333 -0.001 -11.307) 11.386 2.756 ( 27.972 0.000 4.550) 28.340 3.046 ( 31.381 0.000 -4.327) 31.678 4.757 ( -7.541 0.000 13.978) 15.883 4.849 ( -5.009 0.000 9.715) 10.930 7.310 ( -6.081 0.000 13.803) 15.083 7.586 ( -3.817 0.000 1.761) 4.203 8.279 ( 14.793 0.000 4.648) 15.506 8.668 ( 18.388 0.000 -7.487) 19.854 10.236 ( -1.207 0.000 -10.889) 10.956 10.471 ( -0.003 0.000 -18.250) 18.250 11.279 ( 1.390 0.000 5.851) 6.014 11.722 ( 8.688 0.000 -6.528) 10.867 12.833 ( 3.234 0.000 2.317) 3.978 13.275 ( -3.179 0.000 -5.925) 6.724 16.012 ( -5.818 0.000 19.080) 19.948 17.002 ( -13.003 0.000 -16.861) 21.293 30.122 ( 9.094 0.000 3.668) 9.806 30.359 ( 8.239 0.000 -3.257) 8.860 34.412 ( -1.957 0.000 0.475) 2.014 34.582 ( -2.458 0.000 -4.368) 5.012 78.913 ( -16.476 0.000 3.321) 16.807 79.082 ( -19.545 -0.000 -3.344) 19.829 ======================= Grid point 576 (188/240) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 1.139 0.000 -10.380) 10.443 2.221 ( 2.523 -0.000 -9.749) 10.070 3.277 ( 24.028 0.000 7.457) 25.159 3.664 ( 31.014 0.000 -4.604) 31.354 4.588 ( -9.470 0.000 14.176) 17.048 4.763 ( -3.058 0.000 7.170) 7.795 7.178 ( -7.381 0.000 13.667) 15.533 7.494 ( -5.611 0.000 1.270) 5.753 8.539 ( 10.947 0.000 4.269) 11.750 8.938 ( 7.942 0.000 -9.197) 12.152 10.254 ( 3.642 0.000 -8.764) 9.491 10.550 ( 8.520 0.000 -15.218) 17.441 11.374 ( 8.641 0.000 6.206) 10.639 11.927 ( 12.119 0.000 -8.829) 14.994 12.866 ( 0.103 0.000 0.117) 0.156 13.196 ( -4.978 0.000 -4.267) 6.557 15.891 ( -6.323 0.000 17.080) 18.213 16.724 ( -15.245 0.000 -13.395) 20.294 30.324 ( 11.392 0.000 3.578) 11.940 30.538 ( 9.931 0.000 -2.672) 10.284 34.371 ( -2.226 0.000 1.010) 2.445 34.528 ( -3.130 0.000 -3.502) 4.697 78.558 ( -19.540 0.000 3.639) 19.876 78.667 ( -22.558 -0.000 -0.686) 22.568 ======================= Grid point 578 (189/240) ======================= q-point: ( 0.27 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 1.988 0.000 -7.239) 7.507 2.281 ( 3.647 -0.000 -7.555) 8.389 3.612 ( 9.148 0.000 11.506) 14.699 4.119 ( 7.415 0.000 -2.025) 7.687 4.489 ( 7.439 -0.000 11.658) 13.829 4.778 ( 5.761 0.000 3.391) 6.685 7.036 ( -6.908 0.000 12.960) 14.687 7.371 ( -7.064 0.000 1.005) 7.136 8.683 ( 4.159 0.000 1.224) 4.335 8.981 ( -2.196 0.000 -9.561) 9.810 10.380 ( 8.973 0.000 -4.474) 10.027 10.756 ( 10.866 0.000 -10.821) 15.335 11.614 ( 15.675 0.000 5.047) 16.468 12.168 ( 12.080 0.000 -9.216) 15.194 12.845 ( -1.923 0.000 -2.538) 3.185 13.092 ( -5.396 0.000 -4.154) 6.810 15.781 ( -4.775 0.000 14.716) 15.471 16.433 ( -14.368 0.000 -9.453) 17.199 30.550 ( 11.712 0.000 3.349) 12.181 30.730 ( 9.670 0.000 -1.875) 9.850 34.330 ( -1.958 0.000 1.467) 2.447 34.465 ( -3.327 0.000 -2.462) 4.139 78.181 ( -18.844 0.000 3.709) 19.206 78.239 ( -21.073 -0.000 1.357) 21.116 ======================= Grid point 580 (190/240) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 2.843 0.000 -3.479) 4.493 2.357 ( 3.997 -0.000 -4.812) 6.256 3.638 ( -4.626 0.000 13.161) 13.950 3.980 ( -13.156 0.000 7.160) 14.978 4.838 ( 19.937 -0.000 2.656) 20.113 4.972 ( 12.545 0.000 1.793) 12.672 6.923 ( -4.526 0.000 11.334) 12.204 7.226 ( -7.696 0.000 1.194) 7.788 8.720 ( 0.365 0.000 -1.927) 1.961 8.903 ( -4.895 0.000 -8.499) 9.808 10.576 ( 10.593 0.000 -0.540) 10.606 10.926 ( 6.411 0.000 -5.530) 8.467 11.940 ( 16.690 0.000 3.194) 16.993 12.363 ( 7.360 0.000 -6.514) 9.828 12.808 ( -1.428 0.000 -5.937) 6.106 13.003 ( -3.451 0.000 -6.624) 7.469 15.716 ( -1.787 0.000 11.913) 12.046 16.181 ( -11.528 0.000 -5.504) 12.775 30.765 ( 10.217 0.000 2.955) 10.636 30.901 ( 7.718 0.000 -0.956) 7.777 34.298 ( -1.278 0.000 1.708) 2.133 34.402 ( -3.086 0.000 -1.358) 3.371 77.848 ( -15.281 0.000 3.582) 15.695 77.871 ( -16.550 -0.000 2.533) 16.743 ======================= Grid point 582 (191/240) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 3.531 0.000 0.230) 3.539 2.425 ( 2.679 -0.000 -1.512) 3.077 3.512 ( -6.650 0.000 11.998) 13.718 3.719 ( -12.876 0.000 8.031) 15.176 5.159 ( 12.792 0.000 2.025) 12.951 5.200 ( 9.960 0.000 2.221) 10.204 6.869 ( -0.990 0.000 8.806) 8.861 7.081 ( -7.089 0.000 2.019) 7.370 8.718 ( -0.264 0.000 -3.629) 3.639 8.813 ( -4.124 0.000 -6.878) 8.019 10.770 ( 9.109 0.000 1.521) 9.236 11.005 ( 1.867 0.000 -1.524) 2.410 12.214 ( 10.929 0.000 3.296) 11.415 12.441 ( 1.022 0.000 -1.657) 1.947 12.806 ( 1.601 0.000 -10.099) 10.225 12.961 ( -1.291 0.000 -10.763) 10.840 15.713 ( 1.351 0.000 8.654) 8.759 15.989 ( -8.302 0.000 -1.796) 8.494 30.936 ( 7.320 0.000 2.399) 7.703 31.021 ( 4.519 0.000 -0.012) 4.519 34.282 ( -0.353 0.000 1.654) 1.691 34.347 ( -2.491 0.000 -0.298) 2.509 77.602 ( -9.857 0.000 3.401) 10.427 77.609 ( -10.380 -0.000 3.035) 10.814 ======================= Grid point 584 (192/240) ======================= q-point: ( 0.47 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 3.277 0.000 2.513) 4.130 2.447 ( -0.658 0.000 1.699) 1.822 3.435 ( -0.339 0.000 9.738) 9.744 3.511 ( -7.915 0.000 8.270) 11.447 5.326 ( 4.393 0.000 2.387) 4.999 5.333 ( 3.456 0.000 2.578) 4.311 6.884 ( 2.482 -0.000 5.984) 6.478 6.960 ( -5.245 0.000 3.612) 6.368 8.720 ( 0.711 0.000 -4.488) 4.544 8.750 ( -2.381 0.000 -5.442) 5.940 10.919 ( 6.076 0.000 1.896) 6.365 11.000 ( -2.284 0.000 0.880) 2.448 12.361 ( 4.830 -0.000 3.482) 5.954 12.425 ( -2.161 0.000 1.806) 2.816 12.865 ( 3.818 0.000 -12.937) 13.488 12.929 ( -2.448 0.000 -13.033) 13.261 15.763 ( 3.744 0.000 5.179) 6.390 15.855 ( -5.754 0.000 1.707) 6.001 31.042 ( 3.538 0.000 1.702) 3.926 31.071 ( 0.588 0.000 0.888) 1.065 34.285 ( 0.663 0.000 1.282) 1.443 34.307 ( -1.647 0.000 0.611) 1.756 77.473 ( -3.389 0.000 3.270) 4.709 77.474 ( -3.526 -0.000 3.192) 4.756 ======================= Grid point 660 (193/240) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.000 0.000 15.537) 15.537 2.135 ( 0.000 0.000 -11.669) 11.669 2.427 ( 0.000 0.000 19.169) 19.169 2.750 ( 0.000 0.000 -11.483) 11.483 3.677 ( 0.000 0.000 25.083) 25.083 4.127 ( 0.000 0.000 -17.955) 17.955 7.746 ( 0.000 0.000 8.726) 8.726 7.915 ( 0.000 0.000 -7.746) 7.746 7.983 ( 0.000 0.000 8.849) 8.849 8.154 ( 0.000 0.000 -7.556) 7.556 10.554 ( 0.000 0.000 7.093) 7.093 10.671 ( 0.000 0.000 -4.235) 4.235 11.447 ( 0.000 0.000 1.951) 1.951 11.496 ( 0.000 0.000 -2.751) 2.751 13.206 ( 0.000 0.000 6.594) 6.594 13.371 ( 0.000 0.000 -9.040) 9.040 16.991 ( 0.000 0.000 7.491) 7.491 17.171 ( 0.000 0.000 -9.732) 9.732 29.961 ( 0.000 0.000 7.009) 7.009 30.104 ( 0.000 0.000 -6.654) 6.654 34.462 ( 0.000 0.000 9.916) 9.916 34.669 ( 0.000 0.000 -9.908) 9.908 77.917 ( 0.000 0.000 11.262) 11.262 78.155 ( 0.000 0.000 -11.546) 11.546 ======================= Grid point 661 (194/240) ======================= q-point: ( 0.07 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 17.060 0.000 15.336) 22.940 2.304 ( 13.919 0.000 -6.745) 15.468 2.479 ( 6.941 0.000 12.702) 14.475 2.759 ( 1.075 0.000 -10.642) 10.696 3.725 ( 5.609 0.000 23.544) 24.203 4.147 ( 2.515 0.000 -16.767) 16.955 7.629 ( -8.350 0.000 4.239) 9.365 7.660 ( -12.428 0.000 1.662) 12.539 8.296 ( 18.002 0.000 0.110) 18.002 8.345 ( 15.542 0.000 -3.913) 16.027 10.497 ( -5.115 0.000 6.512) 8.280 10.605 ( -5.962 0.000 -3.935) 7.144 11.496 ( 4.672 0.000 1.975) 5.072 11.546 ( 4.624 0.000 -2.842) 5.428 13.197 ( -1.008 0.000 6.733) 6.808 13.365 ( -0.751 0.000 -9.268) 9.299 16.916 ( -7.549 0.000 7.969) 10.977 17.101 ( -7.159 0.000 -9.759) 12.103 30.011 ( 5.029 0.000 7.178) 8.764 30.161 ( 5.644 0.000 -7.201) 9.150 34.454 ( -0.826 0.000 9.552) 9.587 34.652 ( -1.739 0.000 -9.362) 9.522 77.876 ( -4.057 0.000 10.120) 10.903 78.081 ( -7.192 0.000 -9.381) 11.821 ======================= Grid point 662 (195/240) ======================= q-point: ( 0.13 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 15.322 0.000 16.621) 22.606 2.481 ( 5.799 0.000 12.688) 13.950 2.776 ( 19.162 0.000 -11.733) 22.468 2.803 ( 3.951 0.000 -9.041) 9.866 3.932 ( 16.832 0.000 18.831) 25.257 4.260 ( 10.509 0.000 -12.631) 16.431 7.468 ( -7.568 0.000 3.281) 8.248 7.488 ( -5.860 0.000 1.089) 5.960 8.619 ( 14.603 0.000 0.148) 14.603 8.658 ( 15.401 0.000 -3.023) 15.695 10.395 ( -4.552 0.000 5.099) 6.835 10.482 ( -5.840 0.000 -3.241) 6.679 11.613 ( 7.173 0.000 1.741) 7.382 11.657 ( 6.651 0.000 -2.683) 7.172 13.162 ( -2.774 0.000 6.817) 7.360 13.333 ( -2.832 0.000 -9.568) 9.978 16.713 ( -13.012 0.000 8.826) 15.722 16.904 ( -12.816 0.000 -9.688) 16.066 30.147 ( 8.686 0.000 7.411) 11.418 30.307 ( 9.073 0.000 -8.107) 12.168 34.433 ( -1.240 0.000 8.596) 8.685 34.607 ( -2.662 0.000 -8.054) 8.483 77.773 ( -6.298 0.000 7.451) 9.756 77.905 ( -10.265 0.000 -4.881) 11.366 ======================= Grid point 663 (196/240) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 4.523 0.000 15.558) 16.202 2.585 ( 5.047 0.000 10.800) 11.921 2.917 ( 6.975 0.000 -4.847) 8.494 3.068 ( 10.048 0.000 -15.963) 18.862 4.377 ( 27.937 0.000 12.997) 30.812 4.584 ( 22.535 0.000 -6.928) 23.576 7.363 ( -3.451 0.000 3.635) 5.012 7.405 ( -2.753 0.000 -0.615) 2.820 8.841 ( 8.127 0.000 1.256) 8.223 8.902 ( 9.240 0.000 -4.001) 10.069 10.339 ( -1.207 0.000 3.652) 3.846 10.402 ( -2.206 0.000 -2.517) 3.347 11.769 ( 8.899 0.000 1.376) 9.005 11.802 ( 8.374 0.000 -2.057) 8.623 13.087 ( -4.984 0.000 6.390) 8.104 13.252 ( -5.513 0.000 -9.548) 11.026 16.433 ( -15.335 0.000 9.109) 17.836 16.622 ( -15.869 0.000 -9.204) 18.345 30.334 ( 10.352 0.000 7.212) 12.617 30.494 ( 9.894 0.000 -8.280) 12.901 34.410 ( -1.127 0.000 7.322) 7.409 34.554 ( -2.700 0.000 -6.520) 7.057 77.647 ( -6.377 0.000 4.682) 7.911 77.710 ( -9.353 0.000 -1.052) 9.412 ======================= Grid point 664 (197/240) ======================= q-point: ( 0.27 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 1.004 0.000 12.079) 12.121 2.668 ( 3.272 0.000 6.040) 6.870 3.042 ( 5.656 0.000 -1.139) 5.769 3.186 ( 3.242 0.000 -13.853) 14.227 4.950 ( 29.808 0.000 8.752) 31.066 5.076 ( 26.612 0.000 -3.375) 26.825 7.329 ( -0.165 0.000 3.483) 3.487 7.379 ( -0.067 0.000 -1.432) 1.434 8.940 ( 2.510 0.000 1.395) 2.871 9.012 ( 2.515 0.000 -4.941) 5.544 10.341 ( 1.067 0.000 2.883) 3.074 10.390 ( 0.539 0.000 -2.030) 2.101 11.948 ( 9.282 0.000 1.650) 9.428 11.978 ( 9.572 0.000 -1.528) 9.693 12.973 ( -6.598 0.000 5.414) 8.535 13.126 ( -7.289 0.000 -9.407) 11.901 16.140 ( -14.462 0.000 8.403) 16.726 16.310 ( -15.892 0.000 -8.061) 17.819 30.535 ( 10.150 0.000 6.323) 11.959 30.678 ( 8.823 0.000 -7.435) 11.538 34.392 ( -0.659 0.000 5.927) 5.964 34.506 ( -2.263 0.000 -4.989) 5.478 77.535 ( -5.123 0.000 2.714) 5.798 77.554 ( -6.738 0.000 1.105) 6.828 ======================= Grid point 665 (198/240) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 0.364 0.000 8.204) 8.212 2.706 ( 0.704 0.000 1.110) 1.314 3.135 ( 4.080 0.000 0.524) 4.114 3.226 ( 1.393 0.000 -8.534) 8.647 5.483 ( 24.450 0.000 5.844) 25.138 5.558 ( 22.296 0.000 -1.440) 22.342 7.351 ( 2.256 0.000 3.179) 3.898 7.398 ( 1.801 0.000 -1.393) 2.277 8.957 ( -0.291 0.000 0.201) 0.353 9.020 ( -1.151 0.000 -5.348) 5.471 10.369 ( 1.641 0.000 2.536) 3.020 10.408 ( 1.059 0.000 -1.421) 1.772 12.113 ( 7.297 0.000 2.910) 7.856 12.156 ( 8.269 0.000 -1.450) 8.395 12.844 ( -6.296 0.000 3.952) 7.434 12.983 ( -7.087 0.000 -9.453) 11.814 15.890 ( -11.075 0.000 6.804) 12.998 16.024 ( -13.281 0.000 -6.198) 14.656 30.718 ( 8.526 0.000 4.802) 9.785 30.828 ( 6.589 0.000 -5.842) 8.806 34.385 ( -0.090 0.000 4.475) 4.476 34.467 ( -1.736 0.000 -3.451) 3.863 77.450 ( -4.082 0.000 1.958) 4.527 77.451 ( -3.493 0.000 1.697) 3.884 ======================= Grid point 666 (199/240) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 0.502 0.000 4.091) 4.122 2.701 ( -1.071 0.000 -1.718) 2.024 3.201 ( 2.692 0.000 1.185) 2.941 3.247 ( 0.768 0.000 -3.622) 3.703 5.873 ( 15.560 0.000 3.726) 16.000 5.913 ( 13.981 0.000 -0.131) 13.981 7.406 ( 3.080 0.000 2.681) 4.084 7.439 ( 2.129 0.000 -0.548) 2.198 8.944 ( -0.734 0.000 -1.646) 1.802 8.986 ( -2.035 0.000 -5.327) 5.702 10.399 ( 1.423 0.000 2.130) 2.562 10.425 ( 0.621 0.000 -0.472) 0.780 12.221 ( 3.918 0.000 4.234) 5.769 12.275 ( 3.669 0.000 -0.700) 3.735 12.751 ( -2.750 0.000 1.265) 3.027 12.864 ( -5.019 0.000 -9.171) 10.455 15.721 ( -6.289 0.000 4.564) 7.771 15.807 ( -9.037 0.000 -3.747) 9.783 30.859 ( 5.962 0.000 2.844) 6.606 30.928 ( 3.679 0.000 -3.829) 5.310 34.388 ( 0.395 0.000 2.962) 2.988 34.438 ( -1.309 0.000 -1.865) 2.279 77.392 ( -1.996 0.000 2.072) 2.877 77.398 ( -2.012 0.000 1.407) 2.455 ======================= Grid point 667 (200/240) ======================= q-point: ( 0.47 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 1.015 0.000 0.537) 1.148 2.674 ( -1.457 0.000 -1.675) 2.220 3.240 ( 1.365 0.000 0.894) 1.632 3.254 ( -0.146 0.000 -0.569) 0.587 6.079 ( 5.627 0.000 2.168) 6.030 6.091 ( 4.322 0.000 0.964) 4.428 7.456 ( 1.784 0.000 1.861) 2.578 7.468 ( 0.588 0.000 0.707) 0.920 8.937 ( 0.143 0.000 -3.460) 3.463 8.951 ( -1.364 0.000 -4.745) 4.937 10.422 ( 0.845 0.000 1.486) 1.710 10.431 ( -0.085 0.000 0.583) 0.589 12.273 ( 1.831 0.000 3.923) 4.329 12.299 ( -0.635 0.000 1.809) 1.917 12.742 ( 1.404 0.000 -3.221) 3.514 12.788 ( -3.066 0.000 -7.151) 7.780 15.650 ( -1.073 0.000 1.905) 2.186 15.679 ( -4.103 0.000 -0.953) 4.212 30.945 ( 2.868 0.000 0.652) 2.941 30.968 ( 0.435 0.000 -1.616) 1.673 34.399 ( 0.739 0.000 1.384) 1.569 34.416 ( -1.005 0.000 -0.240) 1.033 77.369 ( -0.472 0.000 1.845) 1.904 77.372 ( -0.758 0.000 1.544) 1.720 ======================= Grid point 675 (201/240) ======================= q-point: ( 0.00 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.000 2.210 14.517) 14.684 2.144 ( 0.000 0.756 -11.125) 11.150 2.286 ( 0.000 -11.142 21.569) 24.277 2.671 ( 0.000 -7.062 -15.306) 16.856 3.854 ( 0.000 15.099 22.957) 27.478 4.251 ( 0.000 10.861 -15.244) 18.717 7.700 ( 0.000 -3.750 9.082) 9.825 7.875 ( 0.000 -3.542 -7.972) 8.724 7.982 ( 0.000 -0.150 8.430) 8.431 8.146 ( 0.000 -0.739 -7.370) 7.407 10.551 ( 0.000 -0.794 7.400) 7.443 10.676 ( 0.000 0.163 -4.821) 4.824 11.443 ( 0.000 -0.345 2.297) 2.323 11.498 ( 0.000 0.146 -2.964) 2.968 13.157 ( 0.000 -4.069 5.104) 6.528 13.297 ( 0.000 -6.537 -8.177) 10.469 16.943 ( 0.000 -4.311 9.970) 10.862 17.165 ( 0.000 -1.025 -11.736) 11.780 29.966 ( 0.000 0.445 6.772) 6.786 30.104 ( 0.000 0.017 -6.451) 6.451 34.467 ( 0.000 0.364 8.903) 8.910 34.656 ( 0.000 -1.186 -9.189) 9.265 78.036 ( 0.000 11.334 13.992) 18.006 78.341 ( 0.000 16.111 -15.629) 22.446 ======================= Grid point 676 (202/240) ======================= q-point: ( 0.07 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 14.777 0.634 15.166) 21.184 2.282 ( 9.340 -3.454 5.095) 11.186 2.386 ( 14.322 -5.033 2.568) 15.396 2.687 ( 2.190 -6.395 -14.053) 15.594 3.888 ( 4.066 14.026 21.708) 26.163 4.262 ( 1.563 10.146 -14.249) 17.562 7.596 ( -7.629 -2.072 6.240) 10.071 7.677 ( -10.429 0.653 -1.197) 10.517 8.245 ( 16.871 -3.908 2.074) 17.441 8.328 ( 14.982 -1.855 -5.234) 15.978 10.491 ( -5.399 -1.041 6.945) 8.858 10.609 ( -6.000 0.122 -4.654) 7.594 11.490 ( 4.481 -0.519 2.399) 5.110 11.547 ( 4.638 0.074 -3.089) 5.573 13.153 ( -0.592 -3.701 5.332) 6.517 13.296 ( -0.235 -6.070 -8.408) 10.373 16.872 ( -7.130 -3.969 10.070) 12.962 17.093 ( -7.299 -1.094 -11.475) 13.643 30.016 ( 5.012 0.427 6.913) 8.550 30.159 ( 5.523 -0.102 -6.900) 8.839 34.458 ( -0.860 0.338 8.604) 8.654 34.640 ( -1.645 -1.098 -8.714) 8.936 77.990 ( -4.594 10.885 12.824) 17.437 78.261 ( -7.853 15.555 -13.367) 21.962 ======================= Grid point 677 (203/240) ======================= q-point: ( 0.13 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 6.248 -8.993 18.547) 21.538 2.524 ( 12.525 1.023 4.195) 13.248 2.690 ( 11.663 -4.199 -5.156) 13.425 2.858 ( 18.474 2.574 -10.590) 21.449 4.046 ( 13.250 9.993 17.634) 24.215 4.342 ( 7.814 7.258 -10.849) 15.213 7.463 ( -5.821 0.041 4.381) 7.286 7.512 ( -6.648 1.740 -0.423) 6.885 8.564 ( 15.111 -4.344 1.444) 15.789 8.629 ( 14.744 -2.807 -4.294) 15.611 10.385 ( -4.601 -1.340 5.823) 7.541 10.487 ( -5.610 0.229 -4.162) 6.989 11.602 ( 6.877 -0.973 2.503) 7.382 11.661 ( 6.860 0.193 -3.306) 7.618 13.128 ( -2.188 -2.838 5.590) 6.640 13.276 ( -2.178 -5.043 -8.669) 10.262 16.679 ( -12.409 -3.112 10.192) 16.356 16.894 ( -12.822 -1.114 -10.832) 16.822 30.151 ( 8.696 0.418 7.104) 11.236 30.304 ( 9.006 -0.284 -7.645) 11.817 34.436 ( -1.319 0.249 7.815) 7.930 34.598 ( -2.559 -0.915 -7.562) 8.035 77.871 ( -7.298 9.596 10.052) 15.697 78.065 ( -11.560 13.849 -8.519) 19.950 ======================= Grid point 678 (204/240) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 4.993 -10.552 16.531) 20.238 2.643 ( 2.618 -4.502 -6.846) 8.602 2.932 ( 11.013 5.760 8.174) 14.876 3.184 ( 12.142 7.824 -13.167) 19.545 4.418 ( 24.653 3.794 12.031) 27.694 4.604 ( 19.463 1.857 -5.802) 20.394 7.372 ( -3.613 0.873 3.708) 5.250 7.416 ( -3.360 0.981 -0.721) 3.574 8.798 ( 8.677 -3.556 1.316) 9.470 8.863 ( 8.961 -3.330 -4.407) 10.527 10.334 ( -0.575 -0.783 4.631) 4.732 10.417 ( -1.411 1.102 -3.538) 3.965 11.755 ( 8.924 -1.253 2.367) 9.317 11.809 ( 8.443 0.471 -3.062) 8.993 13.064 ( -4.455 -1.910 5.292) 7.176 13.207 ( -4.939 -4.001 -8.587) 10.684 16.412 ( -14.667 -2.007 9.902) 17.811 16.615 ( -15.617 -0.800 -9.866) 18.489 30.339 ( 10.423 0.490 6.903) 12.511 30.491 ( 9.981 -0.268 -7.764) 12.648 34.411 ( -1.252 0.077 6.744) 6.860 34.546 ( -2.652 -0.779 -6.177) 6.767 77.723 ( -7.661 7.679 7.086) 12.957 77.842 ( -11.038 11.156 -4.140) 16.231 ======================= Grid point 679 (205/240) ======================= q-point: ( 0.27 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 4.593 -9.166 12.911) 16.487 2.675 ( 0.947 -4.607 -6.018) 7.638 3.088 ( 5.706 7.010 8.256) 12.242 3.320 ( 2.894 9.718 -12.442) 16.050 4.943 ( 27.891 -0.763 7.929) 29.007 5.051 ( 24.993 -2.343 -2.526) 25.229 7.325 ( -1.187 -0.260 3.609) 3.808 7.376 ( -0.913 -0.324 -1.353) 1.665 8.904 ( 2.779 -2.962 0.990) 4.180 8.972 ( 2.552 -3.501 -4.889) 6.532 10.353 ( 2.189 0.944 3.948) 4.612 10.425 ( 1.727 2.884 -3.059) 4.545 11.941 ( 9.925 -0.893 2.101) 10.184 11.981 ( 9.101 0.414 -2.100) 9.349 12.959 ( -6.206 -1.165 4.406) 7.700 13.091 ( -6.741 -3.070 -8.512) 11.284 16.132 ( -13.769 -0.791 8.866) 16.396 16.309 ( -15.470 -0.132 -8.384) 17.597 30.542 ( 10.269 0.662 6.071) 11.947 30.678 ( 9.028 -0.004 -6.975) 11.408 34.390 ( -0.809 -0.161 5.533) 5.594 34.498 ( -2.275 -0.750 -4.758) 5.327 77.585 ( -6.439 5.517 4.858) 9.772 77.652 ( -8.452 8.009 -1.425) 11.731 ======================= Grid point 680 (206/240) ======================= q-point: ( 0.33 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 3.670 -6.333 8.443) 11.174 2.682 ( -0.210 -3.765 -4.241) 5.675 3.172 ( 3.239 4.976 5.989) 8.433 3.334 ( -0.698 8.183 -8.949) 12.147 5.446 ( 23.219 -3.472 5.336) 24.076 5.511 ( 21.402 -4.453 -0.889) 21.878 7.326 ( 1.153 -2.210 3.420) 4.232 7.377 ( 0.802 -1.996 -1.461) 2.600 8.926 ( -0.100 -2.666 -0.104) 2.670 8.982 ( -0.936 -3.313 -5.052) 6.114 10.403 ( 2.707 3.103 3.659) 5.509 10.467 ( 2.306 4.987 -2.527) 6.048 12.116 ( 7.541 0.212 2.554) 7.964 12.151 ( 8.141 -0.325 -1.210) 8.237 12.836 ( -6.046 -0.655 3.120) 6.835 12.960 ( -6.472 -2.091 -8.878) 11.184 15.895 ( -10.469 0.389 7.089) 12.650 16.032 ( -12.829 0.691 -6.284) 14.302 30.727 ( 8.647 0.880 4.645) 9.855 30.832 ( 6.825 0.394 -5.487) 8.766 34.380 ( -0.235 -0.422 4.226) 4.253 34.459 ( -1.775 -0.801 -3.302) 3.834 77.478 ( -4.551 3.517 3.534) 6.750 77.516 ( -5.565 5.051 -0.086) 7.516 ======================= Grid point 681 (207/240) ======================= q-point: ( 0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 2.394 -3.251 3.834) 5.568 2.671 ( -0.852 -2.906 -2.722) 4.072 3.221 ( 1.962 2.676 3.786) 5.034 3.311 ( -1.410 5.167 -4.744) 7.155 5.817 ( 14.748 -5.212 3.535) 16.037 5.851 ( 13.400 -5.664 0.204) 14.549 7.362 ( 2.329 -3.958 2.825) 5.391 7.400 ( 1.335 -3.590 -0.769) 3.907 8.916 ( -0.646 -2.487 -1.593) 3.024 8.953 ( -1.738 -2.902 -4.903) 5.957 10.451 ( 2.041 4.946 3.494) 6.390 10.507 ( 1.690 6.762 -1.847) 7.210 12.223 ( 3.657 0.282 4.061) 5.472 12.274 ( 3.978 -0.140 -0.758) 4.052 12.747 ( -2.646 -0.395 0.829) 2.801 12.852 ( -4.464 -1.067 -9.041) 10.140 15.735 ( -5.922 1.291 4.803) 7.734 15.823 ( -8.659 1.450 -3.718) 9.534 30.870 ( 6.034 1.056 2.798) 6.735 30.937 ( 3.875 0.781 -3.588) 5.338 34.381 ( 0.280 -0.654 2.823) 2.911 34.429 ( -1.337 -0.865 -1.785) 2.392 77.410 ( -2.556 1.969 2.799) 4.272 77.433 ( -3.120 2.843 0.555) 4.257 ======================= Grid point 682 (208/240) ======================= q-point: ( 0.47 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 1.288 -1.610 0.352) 2.092 2.653 ( -0.925 -2.008 -1.488) 2.665 3.249 ( 0.959 1.379 2.160) 2.736 3.287 ( -0.895 2.800 -1.454) 3.279 6.011 ( 5.281 -6.180 2.202) 8.422 6.021 ( 4.137 -6.303 1.157) 7.627 7.403 ( 1.496 -4.981 1.865) 5.525 7.418 ( 0.329 -4.495 0.388) 4.524 8.908 ( -0.094 -2.561 -2.866) 3.845 8.925 ( -0.966 -2.406 -4.512) 5.203 10.479 ( 0.766 6.031 3.397) 6.964 10.530 ( 0.617 7.749 -1.331) 7.886 12.269 ( 1.340 -0.117 4.304) 4.509 12.304 ( -0.137 0.389 0.974) 1.058 12.738 ( 1.309 -0.368 -3.235) 3.509 12.784 ( -2.717 -0.333 -7.350) 7.843 15.667 ( -1.204 1.652 2.316) 3.089 15.702 ( -3.705 2.024 -1.050) 4.351 30.957 ( 2.820 1.098 0.736) 3.115 30.980 ( 0.581 1.069 -1.504) 1.935 34.390 ( 0.671 -0.816 1.332) 1.700 34.406 ( -0.990 -0.879 -0.226) 1.343 77.378 ( -0.774 1.102 2.371) 2.726 77.393 ( -1.035 1.701 0.922) 2.195 ======================= Grid point 690 (209/240) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.000 3.605 11.855) 12.391 2.050 ( 0.000 -9.927 22.387) 24.489 2.164 ( 0.000 1.132 -9.614) 9.681 2.491 ( 0.000 -9.302 -19.675) 21.764 4.233 ( 0.000 19.706 18.787) 27.226 4.533 ( 0.000 15.037 -10.220) 18.182 7.622 ( 0.000 -3.014 9.084) 9.571 7.791 ( 0.000 -3.813 -7.496) 8.410 7.978 ( 0.000 -0.180 7.290) 7.293 8.125 ( 0.000 -1.228 -6.830) 6.939 10.495 ( 0.000 -4.965 7.898) 9.328 10.653 ( 0.000 -3.195 -7.296) 7.965 11.435 ( 0.000 -0.412 2.979) 3.008 11.500 ( 0.000 0.058 -3.310) 3.310 13.067 ( 0.000 -4.306 1.799) 4.666 13.142 ( 0.000 -6.513 -5.583) 8.578 16.824 ( 0.000 -6.687 13.869) 15.397 17.115 ( 0.000 -3.822 -14.814) 15.299 29.979 ( 0.000 0.742 6.126) 6.171 30.104 ( 0.000 0.006 -5.897) 5.897 34.474 ( 0.000 0.254 6.595) 6.600 34.623 ( 0.000 -1.889 -7.516) 7.750 78.368 ( 0.000 19.145 16.726) 25.422 78.745 ( 0.000 20.415 -20.058) 28.620 ======================= Grid point 691 (210/240) ======================= q-point: ( 0.07 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 3.011 -5.549 18.846) 19.875 2.209 ( 18.448 0.098 12.868) 22.493 2.343 ( 14.090 -1.314 -11.050) 17.955 2.533 ( 7.349 -7.057 -16.360) 19.273 4.243 ( 1.374 18.545 17.867) 25.788 4.527 ( -0.444 14.099 -9.473) 16.992 7.561 ( -4.747 -1.088 7.557) 8.991 7.682 ( -7.187 -0.062 -3.986) 8.218 8.165 ( 14.782 -3.229 4.177) 15.696 8.277 ( 13.293 -2.593 -6.075) 14.843 10.433 ( -5.542 -4.715 7.585) 10.511 10.587 ( -5.877 -2.913 -7.278) 9.798 11.473 ( 3.710 -1.137 3.340) 5.119 11.546 ( 4.397 -0.276 -3.588) 5.682 13.072 ( 0.333 -3.658 2.030) 4.197 13.152 ( 0.673 -6.312 -5.708) 8.537 16.762 ( -6.317 -6.272 13.537) 16.202 17.044 ( -7.155 -3.633 -14.274) 16.375 30.028 ( 4.985 0.729 6.209) 7.996 30.157 ( 5.271 -0.131 -6.142) 8.095 34.465 ( -0.917 0.235 6.432) 6.502 34.609 ( -1.429 -1.770 -7.192) 7.543 78.309 ( -5.831 18.481 15.517) 24.826 78.652 ( -9.189 19.868 -17.795) 28.210 ======================= Grid point 692 (211/240) ======================= q-point: ( 0.13 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 3.850 -8.068 18.656) 20.687 2.445 ( 2.819 -7.285 -15.858) 17.677 2.690 ( 24.686 3.253 10.117) 26.876 2.906 ( 25.469 1.996 -9.737) 27.340 4.309 ( 6.354 14.235 14.781) 21.483 4.536 ( 2.253 10.606 -7.040) 12.928 7.472 ( -4.309 0.671 5.674) 7.156 7.552 ( -6.177 1.956 -2.221) 6.849 8.471 ( 15.432 -4.020 2.735) 16.180 8.560 ( 14.369 -3.168 -5.430) 15.684 10.326 ( -4.305 -4.259 6.913) 9.190 10.472 ( -4.921 -2.240 -7.015) 8.857 11.570 ( 6.193 -2.223 4.089) 7.747 11.658 ( 7.061 -0.529 -4.475) 8.376 13.068 ( -1.025 -2.464 2.429) 3.609 13.153 ( -0.924 -5.625 -5.811) 8.140 16.590 ( -11.016 -5.107 12.688) 17.562 16.851 ( -12.352 -3.069 -12.933) 18.145 30.164 ( 8.740 0.743 6.300) 10.800 30.297 ( 8.867 -0.342 -6.536) 11.021 34.441 ( -1.473 0.151 5.992) 6.172 34.571 ( -2.314 -1.518 -6.372) 6.947 78.155 ( -9.649 16.529 12.536) 22.879 78.416 ( -14.381 18.019 -12.622) 26.283 ======================= Grid point 693 (212/240) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 5.454 -8.170 15.663) 18.488 2.487 ( 2.084 -8.509 -14.828) 17.223 3.102 ( 15.983 8.834 12.319) 22.028 3.346 ( 17.504 7.180 -10.966) 21.868 4.524 ( 16.314 5.991 9.730) 19.918 4.657 ( 11.411 3.155 -3.022) 12.219 7.392 ( -4.023 0.767 4.222) 5.882 7.444 ( -4.926 1.561 -1.004) 5.264 8.718 ( 9.515 -3.531 1.354) 10.239 8.788 ( 8.598 -3.149 -4.962) 10.415 10.296 ( 1.383 -2.816 6.242) 6.986 10.428 ( 0.704 -0.512 -6.420) 6.478 11.715 ( 8.849 -2.671 4.464) 10.265 11.814 ( 8.889 -0.182 -5.065) 10.232 13.025 ( -3.490 -1.480 2.378) 4.475 13.107 ( -3.772 -4.698 -5.683) 8.283 16.353 ( -12.962 -3.411 11.480) 17.647 16.585 ( -14.688 -2.099 -11.173) 18.573 30.354 ( 10.608 0.874 6.094) 12.265 30.485 ( 10.187 -0.305 -6.505) 12.091 34.411 ( -1.520 -0.043 5.352) 5.564 34.523 ( -2.534 -1.320 -5.319) 6.038 77.954 ( -10.758 13.504 9.111) 19.522 78.126 ( -14.950 14.797 -7.378) 22.291 ======================= Grid point 694 (213/240) ======================= q-point: ( 0.27 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 6.393 -7.470 11.743) 15.315 2.528 ( 2.099 -8.015 -11.634) 14.283 3.296 ( 4.941 11.536 12.469) 17.691 3.543 ( 3.500 11.119 -11.056) 16.066 4.916 ( 22.665 -1.845 5.821) 23.473 4.979 ( 20.492 -4.403 -0.272) 20.962 7.318 ( -3.482 -0.635 3.771) 5.172 7.365 ( -3.165 -0.570 -0.907) 3.341 8.836 ( 3.059 -3.222 0.160) 4.445 8.889 ( 2.309 -3.735 -4.572) 6.339 10.368 ( 5.407 0.288 5.794) 7.930 10.488 ( 4.796 2.633 -5.656) 7.869 11.907 ( 10.697 -2.313 3.964) 11.640 11.993 ( 9.243 0.507 -4.250) 10.186 12.936 ( -5.535 -0.838 1.798) 5.880 13.014 ( -5.606 -3.750 -5.882) 8.949 16.108 ( -11.968 -1.463 9.834) 15.559 16.301 ( -14.218 -0.754 -9.020) 16.855 30.562 ( 10.564 1.141 5.398) 11.918 30.678 ( 9.519 0.069 -5.814) 11.154 34.385 ( -1.156 -0.349 4.550) 4.708 34.476 ( -2.301 -1.272 -4.160) 4.921 77.753 ( -9.706 9.908 6.256) 15.216 77.857 ( -12.594 10.779 -3.579) 16.959 ======================= Grid point 695 (214/240) ======================= q-point: ( 0.33 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 6.331 -6.080 7.370) 11.461 2.564 ( 1.552 -6.601 -7.611) 10.194 3.334 ( -0.106 9.782 10.134) 14.086 3.532 ( -3.429 10.316 -8.646) 13.890 5.342 ( 20.224 -6.334 4.023) 21.571 5.379 ( 19.352 -7.809 0.485) 20.873 7.266 ( -1.686 -3.314 3.754) 5.283 7.320 ( -1.588 -3.108 -1.330) 3.735 8.859 ( -0.085 -3.404 -0.727) 3.481 8.900 ( -0.714 -4.113 -4.283) 5.980 10.482 ( 5.893 3.926 5.460) 8.942 10.588 ( 5.082 5.946 -4.651) 9.100 12.108 ( 9.408 -1.101 2.758) 9.865 12.155 ( 7.233 0.904 -1.900) 7.533 12.824 ( -5.653 -0.443 1.016) 5.761 12.905 ( -5.211 -2.745 -7.071) 9.203 15.904 ( -8.863 0.444 7.698) 11.747 16.049 ( -11.559 0.743 -6.424) 13.245 30.752 ( 8.944 1.464 4.210) 9.993 30.844 ( 7.406 0.647 -4.560) 8.721 34.368 ( -0.591 -0.718 3.583) 3.702 34.436 ( -1.869 -1.339 -2.905) 3.705 77.586 ( -7.401 6.407 4.335) 10.706 77.646 ( -9.075 6.874 -1.329) 11.462 ======================= Grid point 696 (215/240) ======================= q-point: ( 0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 5.014 -4.207 3.009) 7.204 2.586 ( 0.712 -4.755 -3.501) 5.948 3.318 ( -1.092 6.348 6.811) 9.374 3.445 ( -4.854 7.383 -5.280) 10.294 5.668 ( 13.043 -8.626 3.062) 15.935 5.691 ( 12.334 -9.214 0.915) 15.423 7.252 ( 0.072 -6.146 3.330) 6.990 7.301 ( -0.450 -5.336 -1.314) 5.513 8.849 ( -0.735 -3.722 -1.376) 4.036 8.878 ( -1.253 -3.956 -4.054) 5.801 10.584 ( 4.466 7.045 4.937) 9.693 10.672 ( 3.382 8.220 -3.281) 9.475 12.237 ( 3.737 1.055 3.210) 5.038 12.273 ( 4.639 0.265 -0.757) 4.708 12.738 ( -2.609 -0.339 -0.313) 2.650 12.823 ( -3.298 -1.671 -8.351) 9.133 15.771 ( -4.859 1.976 5.255) 7.425 15.862 ( -7.672 2.054 -3.586) 8.714 30.900 ( 6.207 1.719 2.651) 6.965 30.959 ( 4.365 1.229 -2.942) 5.406 34.362 ( -0.010 -1.068 2.454) 2.677 34.404 ( -1.401 -1.427 -1.564) 2.539 77.471 ( -4.512 3.641 3.220) 6.632 77.507 ( -5.398 3.882 -0.154) 6.650 ======================= Grid point 697 (216/240) ======================= q-point: ( 0.47 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 1.978 -2.606 -0.151) 3.275 2.594 ( 0.193 -3.413 -0.772) 3.504 3.304 ( -0.170 3.882 3.935) 5.530 3.368 ( -2.575 4.810 -2.078) 5.838 5.839 ( 4.640 -9.650 2.280) 10.948 5.847 ( 3.834 -9.753 1.503) 10.587 7.260 ( 0.399 -8.051 2.668) 8.491 7.297 ( -0.074 -6.535 -0.900) 6.597 8.838 ( -0.322 -3.968 -1.763) 4.354 8.859 ( -0.548 -3.656 -3.895) 5.370 10.646 ( 1.767 9.063 4.287) 10.180 10.715 ( 1.087 9.081 -1.991) 9.360 12.279 ( 1.000 1.187 3.957) 4.250 12.318 ( 0.477 1.107 -0.178) 1.219 12.728 ( 1.042 -0.587 -3.286) 3.497 12.773 ( -2.001 -0.796 -7.460) 7.765 15.716 ( -1.005 2.804 2.873) 4.138 15.755 ( -3.162 2.851 -0.962) 4.364 30.988 ( 2.726 1.778 0.917) 3.381 31.010 ( 0.920 1.664 -1.180) 2.238 34.367 ( 0.493 -1.326 1.191) 1.849 34.381 ( -0.945 -1.439 -0.186) 1.731 77.413 ( -1.479 2.105 2.651) 3.694 77.437 ( -1.809 2.295 0.405) 2.951 ======================= Grid point 705 (217/240) ======================= q-point: ( 0.00 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.000 -4.043 17.362) 17.827 2.022 ( 0.000 3.758 8.442) 9.241 2.187 ( 0.000 0.910 -7.457) 7.513 2.298 ( 0.000 -8.901 -20.072) 21.957 4.640 ( 0.000 18.365 14.436) 23.359 4.844 ( 0.000 13.774 -5.216) 14.728 7.590 ( 0.000 -0.024 8.373) 8.373 7.731 ( 0.000 -1.802 -5.519) 5.805 7.975 ( 0.000 -0.073 5.762) 5.762 8.098 ( 0.000 -1.298 -6.018) 6.156 10.348 ( 0.000 -8.312 6.029) 10.269 10.523 ( 0.000 -8.944 -10.362) 13.689 11.427 ( 0.000 -0.303 3.527) 3.540 11.500 ( 0.000 -0.091 -3.464) 3.465 12.966 ( 0.000 -4.462 3.970) 5.972 13.083 ( 0.000 0.135 -6.826) 6.827 16.680 ( 0.000 -6.588 16.303) 17.584 17.016 ( 0.000 -5.113 -16.887) 17.644 29.995 ( 0.000 0.781 5.267) 5.325 30.104 ( 0.000 -0.033 -5.150) 5.150 34.476 ( 0.000 -0.046 4.236) 4.236 34.582 ( 0.000 -1.884 -5.773) 6.072 78.787 ( 0.000 19.614 15.224) 24.829 79.131 ( 0.000 15.313 -18.316) 23.874 ======================= Grid point 706 (218/240) ======================= q-point: ( 0.07 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 1.195 -3.248 16.036) 16.405 2.246 ( 12.896 -0.558 -1.264) 12.970 2.274 ( 10.566 -2.734 -6.969) 12.949 2.442 ( 19.401 -1.567 -9.731) 21.761 4.628 ( -1.118 17.366 13.732) 22.168 4.819 ( -2.473 12.975 -4.661) 14.007 7.556 ( -2.932 0.656 7.789) 8.348 7.680 ( -4.172 -0.021 -4.309) 5.998 8.117 ( 12.906 -1.407 4.869) 13.866 8.232 ( 12.486 -1.593 -6.029) 13.956 10.300 ( -4.394 -7.340 5.852) 10.365 10.472 ( -4.645 -7.920 -10.289) 13.789 11.445 ( 1.937 -1.485 4.305) 4.949 11.534 ( 3.502 -0.810 -4.213) 5.538 12.986 ( 1.649 -4.039 3.422) 5.545 13.091 ( 0.565 0.091 -6.204) 6.230 16.626 ( -5.440 -6.209 15.793) 17.820 16.950 ( -6.595 -4.817 -16.237) 18.176 30.045 ( 4.986 0.785 5.291) 7.312 30.154 ( 5.057 -0.122 -5.218) 7.268 34.467 ( -0.944 -0.047 4.191) 4.296 34.570 ( -1.210 -1.789 -5.576) 5.979 78.714 ( -7.309 18.940 14.209) 24.780 79.031 ( -10.093 15.101 -16.513) 24.548 ======================= Grid point 707 (219/240) ======================= q-point: ( 0.13 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 3.490 -3.386 14.167) 14.978 2.282 ( 1.208 -7.704 -17.114) 18.807 2.768 ( 28.487 3.604 8.650) 29.988 2.939 ( 29.036 1.069 -7.748) 30.071 4.611 ( -0.054 13.843 11.449) 17.964 4.761 ( -3.024 10.197 -2.946) 11.037 7.488 ( -4.048 0.872 6.818) 7.977 7.588 ( -5.355 1.278 -2.982) 6.260 8.408 ( 15.505 -1.913 3.997) 16.125 8.515 ( 14.999 -0.946 -6.262) 16.281 10.218 ( -2.906 -5.570 5.675) 8.466 10.384 ( -3.122 -5.874 -10.033) 12.038 11.510 ( 5.049 -3.230 5.837) 8.366 11.634 ( 6.839 -1.740 -5.979) 9.249 13.010 ( 0.355 -3.149 2.408) 3.980 13.092 ( -0.817 -0.055 -4.935) 5.002 16.479 ( -9.397 -5.116 14.460) 17.988 16.773 ( -11.323 -4.006 -14.520) 18.843 30.181 ( 8.827 0.835 5.280) 10.320 30.291 ( 8.755 -0.257 -5.275) 10.225 34.442 ( -1.581 -0.077 4.052) 4.351 34.538 ( -2.054 -1.581 -5.049) 5.676 78.518 ( -12.505 16.958 11.645) 24.074 78.765 ( -16.639 14.158 -12.189) 25.018 ======================= Grid point 708 (220/240) ======================= q-point: ( 0.20 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 5.475 -3.715 11.492) 13.261 2.315 ( 2.200 -7.676 -14.707) 16.735 3.272 ( 21.499 7.010 10.471) 24.920 3.472 ( 23.726 4.610 -8.781) 25.716 4.658 ( 5.936 6.376 7.322) 11.380 4.734 ( 1.532 4.033 0.078) 4.315 7.399 ( -5.137 -0.017 5.792) 7.741 7.475 ( -6.105 1.248 -1.805) 6.487 8.660 ( 9.663 -1.908 2.547) 10.174 8.750 ( 8.223 -0.514 -6.052) 10.223 10.227 ( 4.266 -3.339 5.862) 7.982 10.390 ( 4.062 -3.016 -9.475) 10.741 11.645 ( 8.902 -3.781 6.840) 11.846 11.795 ( 9.637 -1.608 -7.426) 12.273 12.988 ( -2.626 -2.379 1.471) 3.836 13.051 ( -3.419 -0.207 -3.944) 5.224 16.278 ( -10.879 -3.469 12.665) 17.052 16.531 ( -13.241 -2.806 -12.162) 18.196 30.374 ( 10.841 0.989 5.061) 12.005 30.479 ( 10.412 -0.208 -5.051) 11.575 34.409 ( -1.758 -0.193 3.801) 4.193 34.494 ( -2.398 -1.410 -4.305) 5.126 78.251 ( -14.603 13.883 8.575) 21.898 78.418 ( -18.510 12.102 -7.447) 23.335 ======================= Grid point 709 (221/240) ======================= q-point: ( 0.27 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 6.886 -3.959 8.407) 11.566 2.366 ( 3.055 -7.126 -11.309) 13.711 3.542 ( 6.291 11.380 12.284) 17.888 3.770 ( 6.092 10.076 -9.570) 15.173 4.860 ( 14.385 -4.155 3.979) 15.492 4.882 ( 14.344 -3.779 1.908) 14.955 7.294 ( -5.573 -1.516 5.114) 7.715 7.359 ( -5.702 -0.036 -1.331) 5.856 8.774 ( 2.602 -2.581 0.557) 3.707 8.832 ( 1.054 -1.663 -4.994) 5.368 10.368 ( 9.415 -0.095 6.317) 11.338 10.525 ( 8.962 0.932 -8.456) 12.357 11.848 ( 11.774 -3.075 6.486) 13.789 11.995 ( 10.501 -0.438 -7.255) 12.771 12.913 ( -4.935 -1.788 0.551) 5.277 12.964 ( -5.244 -0.409 -3.854) 6.521 16.075 ( -9.763 -1.550 10.557) 14.463 16.278 ( -12.479 -1.303 -9.416) 15.687 30.587 ( 10.903 1.247 4.505) 11.863 30.680 ( 10.051 0.115 -4.408) 10.975 34.376 ( -1.510 -0.424 3.391) 3.736 34.448 ( -2.319 -1.359 -3.406) 4.339 77.971 ( -13.847 10.217 5.896) 18.190 78.072 ( -16.695 9.135 -3.724) 19.392 ======================= Grid point 710 (222/240) ======================= q-point: ( 0.33 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 7.359 -3.907 5.199) 9.821 2.429 ( 3.278 -5.967 -7.268) 9.959 3.559 ( -3.023 11.158 11.153) 16.063 3.753 ( -5.760 10.358 -7.335) 13.938 5.182 ( 17.149 -8.951 3.185) 19.605 5.205 ( 16.876 -8.105 1.119) 18.755 7.194 ( -4.486 -3.344 4.819) 7.384 7.261 ( -4.332 -2.254 -1.609) 5.142 8.787 ( -0.696 -3.437 -0.664) 3.569 8.823 ( -1.348 -3.044 -4.095) 5.277 10.557 ( 9.559 3.199 6.447) 11.965 10.698 ( 8.216 4.304 -6.650) 11.413 12.079 ( 11.332 -1.522 4.539) 12.302 12.180 ( 8.112 1.200 -4.727) 9.465 12.811 ( -5.136 -1.042 -0.427) 5.258 12.862 ( -4.879 -0.912 -5.096) 7.114 15.912 ( -6.875 0.325 8.133) 10.655 16.060 ( -9.841 0.330 -6.408) 11.748 30.785 ( 9.271 1.538 3.593) 10.061 30.858 ( 8.057 0.626 -3.381) 8.760 34.352 ( -0.989 -0.741 2.783) 3.045 34.406 ( -1.963 -1.407 -2.377) 3.389 77.728 ( -11.059 6.643 4.032) 13.516 77.785 ( -12.745 5.967 -1.393) 14.142 ======================= Grid point 711 (223/240) ======================= q-point: ( 0.40 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 6.345 -3.516 2.137) 7.562 2.488 ( 2.670 -4.281 -3.078) 5.910 3.474 ( -4.679 8.206 8.314) 12.584 3.609 ( -8.037 7.789 -4.387) 12.022 5.470 ( 11.880 -9.842 2.551) 15.637 5.485 ( 11.440 -9.806 1.200) 15.115 7.126 ( -2.447 -5.319 4.458) 7.359 7.195 ( -2.531 -4.517 -1.968) 5.539 8.766 ( -1.170 -3.986 -0.899) 4.250 8.795 ( -1.297 -3.780 -3.728) 5.465 10.722 ( 7.193 5.750 5.643) 10.800 10.827 ( 4.865 6.186 -3.977) 8.818 12.257 ( 6.317 0.695 2.575) 6.857 12.298 ( 4.356 2.182 -1.570) 5.119 12.731 ( -2.746 -0.527 -1.377) 3.117 12.789 ( -2.649 -1.336 -7.124) 7.717 15.812 ( -3.445 1.867 5.513) 6.764 15.903 ( -6.391 1.759 -3.355) 7.429 30.938 ( 6.385 1.752 2.390) 7.039 30.985 ( 4.936 1.163 -2.087) 5.484 34.339 ( -0.356 -1.069 1.975) 2.274 34.373 ( -1.460 -1.471 -1.258) 2.424 77.552 ( -7.029 3.820 2.968) 8.533 77.585 ( -7.862 3.391 -0.188) 8.565 ======================= Grid point 712 (224/240) ======================= q-point: ( 0.47 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 675 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 1.739 -3.282 0.476) 3.745 2.531 ( 2.108 -2.555 -0.591) 3.365 3.408 ( -1.723 5.741 5.300) 8.001 3.481 ( -4.163 5.652 -1.592) 7.198 5.627 ( 4.228 -10.064 2.134) 11.123 5.633 ( 3.732 -10.171 1.560) 10.946 7.097 ( -0.676 -6.702 4.061) 7.866 7.163 ( -0.800 -5.932 -2.076) 6.336 8.749 ( -0.467 -4.227 -0.857) 4.338 8.777 ( -0.499 -4.010 -3.572) 5.394 10.826 ( 3.174 7.461 4.014) 9.047 10.883 ( 1.088 6.595 -1.131) 6.779 12.318 ( 1.043 2.479 2.928) 3.976 12.356 ( 1.329 2.448 -1.301) 3.075 12.713 ( 0.544 -0.853 -3.225) 3.380 12.752 ( -1.352 -1.104 -7.125) 7.336 15.777 ( -0.436 2.811 3.001) 4.135 15.814 ( -2.736 2.557 -0.616) 3.795 31.027 ( 2.646 1.792 1.051) 3.365 31.045 ( 1.278 1.570 -0.701) 2.142 34.338 ( 0.273 -1.327 1.001) 1.684 34.350 ( -0.881 -1.463 -0.118) 1.712 77.460 ( -2.388 2.251 2.480) 4.113 77.483 ( -2.658 1.986 0.320) 3.333 ======================= Grid point 720 (225/240) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.000 1.962 6.733) 7.013 2.091 ( 0.000 2.605 5.258) 5.868 2.120 ( 0.000 -8.015 -15.377) 17.341 2.199 ( 0.000 0.248 -5.170) 5.176 4.970 ( 0.000 12.257 9.934) 15.777 5.075 ( 0.000 7.428 -0.215) 7.431 7.613 ( 0.000 1.897 7.079) 7.328 7.707 ( 0.000 -0.810 -2.229) 2.371 7.975 ( 0.000 0.043 4.360) 4.360 8.074 ( 0.000 -0.872 -5.177) 5.250 10.190 ( 0.000 -5.659 0.950) 5.738 10.317 ( 0.000 -9.285 -11.000) 14.394 11.422 ( 0.000 -0.145 3.792) 3.795 11.498 ( 0.000 -0.119 -3.428) 3.430 12.901 ( 0.000 -1.870 8.864) 9.059 13.104 ( 0.000 1.221 -10.134) 10.208 16.567 ( 0.000 -3.822 17.167) 17.587 16.922 ( 0.000 -3.425 -17.815) 18.141 30.009 ( 0.000 0.513 4.499) 4.528 30.103 ( 0.000 -0.051 -4.472) 4.473 34.474 ( 0.000 -0.124 2.575) 2.578 34.549 ( 0.000 -1.189 -4.529) 4.683 79.147 ( 0.000 13.876 9.298) 16.703 79.357 ( 0.000 5.880 -11.156) 12.611 ======================= Grid point 721 (226/240) ======================= q-point: ( 0.07 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 1.230 1.985 6.269) 6.690 2.114 ( 0.255 -7.179 -14.179) 15.895 2.315 ( 21.320 2.197 5.275) 22.072 2.429 ( 21.477 -0.265 -5.591) 22.194 4.939 ( -3.056 11.552 9.491) 15.260 5.037 ( -3.827 7.057 0.064) 8.028 7.584 ( -2.825 1.774 7.081) 7.827 7.677 ( -2.878 -0.382 -2.172) 3.626 8.101 ( 12.127 -0.234 4.724) 13.017 8.210 ( 12.991 -0.594 -5.720) 14.206 10.163 ( -2.506 -4.818 0.979) 5.519 10.289 ( -2.529 -8.286 -10.925) 13.943 11.417 ( -0.022 -1.003 4.907) 5.008 11.516 ( 2.215 -0.703 -4.604) 5.157 12.926 ( 2.163 -1.703 7.979) 8.440 13.111 ( 0.490 1.194 -9.261) 9.350 16.519 ( -4.793 -3.616 16.615) 17.667 16.862 ( -6.063 -3.242 -17.123) 18.452 30.059 ( 5.012 0.525 4.481) 6.744 30.152 ( 4.941 -0.090 -4.432) 6.638 34.465 ( -0.939 -0.117 2.594) 2.762 34.538 ( -1.063 -1.139 -4.401) 4.669 79.061 ( -8.641 13.334 8.749) 18.139 79.255 ( -10.261 5.978 -10.086) 15.581 ======================= Grid point 722 (227/240) ======================= q-point: ( 0.13 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 2.987 1.546 5.416) 6.375 2.129 ( 1.388 -6.792 -12.942) 14.682 2.830 ( 29.677 2.196 6.038) 30.365 2.951 ( 30.567 0.225 -5.656) 31.086 4.860 ( -4.822 9.176 8.180) 13.204 4.936 ( -6.285 5.845 0.841) 8.624 7.509 ( -4.888 1.074 7.123) 8.706 7.601 ( -4.900 0.061 -2.093) 5.329 8.387 ( 15.580 -0.287 5.263) 16.448 8.512 ( 16.116 0.305 -6.859) 17.517 10.121 ( -0.758 -3.086 1.374) 3.463 10.249 ( -0.398 -6.153 -10.732) 12.377 11.447 ( 3.697 -2.411 7.012) 8.286 11.595 ( 6.138 -1.667 -7.090) 9.525 12.961 ( 0.910 -1.402 6.236) 6.456 13.110 ( -0.982 1.100 -7.454) 7.598 16.391 ( -8.165 -3.008 15.127) 17.451 16.699 ( -10.379 -2.738 -15.220) 18.624 30.196 ( 8.928 0.577 4.390) 9.966 30.286 ( 8.700 -0.149 -4.262) 9.689 34.439 ( -1.619 -0.115 2.626) 3.087 34.509 ( -1.875 -1.030 -4.035) 4.567 78.827 ( -15.027 11.792 7.335) 20.462 78.980 ( -17.509 6.014 -7.446) 19.954 ======================= Grid point 723 (228/240) ======================= q-point: ( 0.20 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 4.778 0.746 4.359) 6.511 2.169 ( 2.756 -6.155 -10.808) 12.739 3.386 ( 25.878 3.752 8.007) 27.347 3.539 ( 28.260 1.852 -6.710) 29.104 4.769 ( -3.996 3.751 6.432) 8.450 4.818 ( -4.657 3.599 1.616) 6.104 7.398 ( -6.503 -0.010 7.156) 9.669 7.491 ( -6.409 0.261 -2.115) 6.754 8.637 ( 9.096 -0.471 4.361) 10.098 8.754 ( 7.669 0.576 -7.146) 10.498 10.174 ( 6.864 -1.398 2.826) 7.553 10.317 ( 7.942 -3.358 -10.551) 13.626 11.571 ( 9.058 -2.893 8.500) 12.754 11.755 ( 10.273 -1.816 -9.105) 13.847 12.949 ( -2.241 -1.178 4.581) 5.234 13.065 ( -3.652 0.921 -5.955) 7.046 16.218 ( -9.248 -2.057 13.068) 16.141 16.478 ( -11.985 -1.989 -12.507) 17.436 30.393 ( 11.042 0.690 4.142) 11.813 30.476 ( 10.572 -0.119 -3.869) 11.259 34.405 ( -1.891 -0.156 2.600) 3.219 34.468 ( -2.297 -0.937 -3.470) 4.266 78.503 ( -17.934 9.508 5.585) 21.053 78.607 ( -20.364 5.547 -4.424) 21.565 ======================= Grid point 724 (229/240) ======================= q-point: ( 0.27 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 6.259 -0.203 3.291) 7.075 2.236 ( 4.070 -5.249 -8.110) 10.483 3.749 ( 9.883 7.727 10.893) 16.614 3.946 ( 10.718 6.241 -8.005) 14.762 4.758 ( 5.720 -4.365 6.539) 9.722 4.827 ( 6.720 -1.939 -0.153) 6.996 7.265 ( -6.995 -1.026 7.047) 9.982 7.359 ( -7.016 -0.012 -2.239) 7.365 8.732 ( 1.363 -1.434 1.920) 2.757 8.812 ( -0.595 -0.440 -6.092) 6.136 10.370 ( 12.359 0.353 5.054) 13.357 10.532 ( 12.794 -0.138 -9.917) 16.188 11.789 ( 13.094 -2.258 8.365) 15.701 11.978 ( 12.146 -0.946 -9.439) 15.412 12.880 ( -4.592 -1.039 2.988) 5.576 12.973 ( -5.621 0.658 -5.304) 7.757 16.048 ( -8.026 -0.921 10.720) 13.423 16.252 ( -10.994 -1.046 -9.398) 14.501 30.610 ( 11.162 0.853 3.672) 11.781 30.682 ( 10.428 0.054 -3.216) 10.913 34.369 ( -1.748 -0.270 2.439) 3.013 34.423 ( -2.322 -0.904 -2.739) 3.703 78.156 ( -17.380 6.899 4.001) 19.122 78.219 ( -19.198 4.457 -1.961) 19.806 ======================= Grid point 725 (230/240) ======================= q-point: ( 0.33 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 6.978 -1.129 2.354) 7.450 2.323 ( 4.854 -3.967 -5.127) 8.099 3.777 ( -4.916 8.852 10.677) 14.715 3.943 ( -7.787 7.063 -4.929) 11.611 4.999 ( 16.039 -7.379 4.021) 18.107 5.050 ( 14.184 -6.210 -0.577) 15.495 7.137 ( -5.916 -1.850 6.489) 8.973 7.227 ( -6.416 -1.005 -2.217) 6.862 8.724 ( -1.462 -2.339 0.062) 2.759 8.773 ( -2.689 -1.690 -4.834) 5.784 10.613 ( 11.977 1.996 6.202) 13.635 10.764 ( 10.504 1.993 -7.661) 13.153 12.051 ( 13.198 -0.968 6.196) 14.613 12.199 ( 10.070 0.586 -7.423) 12.524 12.786 ( -4.678 -0.989 1.090) 4.904 12.861 ( -5.571 0.315 -5.567) 7.882 15.918 ( -5.304 0.197 8.172) 9.745 16.063 ( -8.347 0.006 -6.200) 10.398 30.813 ( 9.502 1.019 2.968) 10.006 30.868 ( 8.540 0.341 -2.334) 8.860 34.339 ( -1.286 -0.447 2.090) 2.495 34.381 ( -2.018 -0.922 -1.884) 2.910 77.848 ( -14.135 4.450 2.866) 15.094 77.882 ( -15.209 3.029 -0.396) 15.512 ======================= Grid point 726 (231/240) ======================= q-point: ( 0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 6.221 -1.864 1.664) 6.704 2.416 ( 4.538 -2.400 -2.253) 5.607 3.640 ( -7.688 6.817 8.309) 13.214 3.750 ( -10.542 5.081 -2.026) 11.877 5.282 ( 11.982 -7.174 2.250) 14.146 5.303 ( 10.855 -6.954 0.421) 12.898 7.044 ( -3.628 -2.423 5.379) 6.926 7.119 ( -4.566 -2.563 -1.808) 5.539 8.693 ( -1.405 -2.615 -0.736) 3.059 8.726 ( -2.006 -2.644 -3.858) 5.089 10.816 ( 8.780 3.125 5.595) 10.870 10.924 ( 5.813 2.995 -4.062) 7.698 12.270 ( 8.758 0.536 3.248) 9.357 12.348 ( 5.122 2.093 -3.653) 6.630 12.714 ( -2.508 -0.942 -1.087) 2.891 12.772 ( -3.341 -0.298 -6.631) 7.431 15.845 ( -2.284 1.128 5.482) 6.045 15.932 ( -5.269 0.954 -3.115) 6.195 30.969 ( 6.494 1.127 2.065) 6.907 31.004 ( 5.379 0.657 -1.298) 5.572 34.320 ( -0.635 -0.647 1.544) 1.790 34.346 ( -1.485 -0.944 -0.960) 2.004 77.621 ( -9.121 2.578 2.225) 9.736 77.641 ( -9.611 1.730 0.378) 9.773 ======================= Grid point 727 (232/240) ======================= q-point: ( 0.47 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 2.693 -1.700 1.436) 3.493 2.485 ( 2.140 -1.690 -0.355) 2.750 3.528 ( -3.020 5.122 5.570) 8.147 3.585 ( -5.353 3.694 0.253) 6.509 5.441 ( 4.297 -6.929 1.580) 8.305 5.447 ( 3.711 -6.925 1.140) 7.939 6.999 ( -1.115 -2.536 4.282) 5.099 7.057 ( -1.697 -3.989 -1.222) 4.504 8.674 ( -0.507 -2.539 -0.966) 2.763 8.699 ( -0.693 -3.163 -3.303) 4.626 10.945 ( 4.274 3.760 3.514) 6.689 10.987 ( 0.772 3.272 -0.198) 3.367 12.373 ( 2.079 2.455 1.977) 3.776 12.408 ( 1.546 2.110 -1.663) 3.100 12.695 ( 0.342 -0.760 -3.294) 3.397 12.729 ( -1.395 -1.001 -6.686) 6.903 15.826 ( 0.178 1.740 2.799) 3.301 15.857 ( -2.491 1.469 -0.274) 2.905 31.058 ( 2.609 1.143 1.048) 3.035 31.072 ( 1.521 0.896 -0.211) 1.778 34.315 ( 0.088 -0.814 0.824) 1.162 34.324 ( -0.814 -0.922 -0.039) 1.231 77.501 ( -3.137 1.563 1.956) 4.014 77.515 ( -3.276 0.975 0.662) 3.482 ======================= Grid point 735 (233/240) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.000 0.003 -5.766) 5.766 1.970 ( 0.000 -0.003 -5.618) 5.618 2.120 ( 0.000 0.000 3.720) 3.720 2.200 ( 0.000 0.000 -3.950) 3.950 5.122 ( 0.000 -0.000 5.692) 5.692 5.136 ( 0.000 0.000 4.230) 4.230 7.643 ( 0.000 0.000 5.790) 5.790 7.694 ( 0.000 -0.000 0.191) 0.191 7.976 ( 0.000 0.000 3.758) 3.758 8.064 ( 0.000 0.000 -4.786) 4.786 10.136 ( 0.000 0.000 -3.045) 3.045 10.200 ( 0.000 -0.000 -9.586) 9.586 11.421 ( 0.000 0.000 3.856) 3.856 11.496 ( 0.000 0.000 -3.381) 3.381 12.882 ( 0.000 0.000 10.800) 10.800 13.118 ( 0.000 0.000 -11.420) 11.420 16.526 ( 0.000 0.000 17.288) 17.288 16.884 ( 0.000 0.000 -18.015) 18.015 30.015 ( 0.000 0.000 4.180) 4.180 30.102 ( 0.000 0.000 -4.188) 4.188 34.472 ( 0.000 0.000 1.969) 1.969 34.536 ( 0.000 0.000 -4.070) 4.070 79.322 ( 0.000 0.000 2.946) 2.946 79.393 ( 0.000 -0.000 -4.188) 4.188 ======================= Grid point 737 (234/240) ======================= q-point: ( 0.07 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.704 0.000 -5.320) 5.367 1.976 ( 0.899 -0.000 -5.390) 5.464 2.341 ( 21.098 0.000 3.890) 21.454 2.425 ( 21.543 0.000 -4.204) 21.949 5.081 ( -4.172 -0.000 5.693) 7.058 5.097 ( -3.949 0.000 4.048) 5.655 7.610 ( -3.216 0.000 6.065) 6.865 7.669 ( -2.541 -0.000 -0.158) 2.546 8.100 ( 12.032 0.000 4.496) 12.845 8.204 ( 13.421 0.000 -5.500) 14.504 10.118 ( -1.670 0.000 -2.852) 3.305 10.184 ( -1.389 -0.000 -9.614) 9.714 11.406 ( -0.866 0.000 5.118) 5.190 11.509 ( 1.622 0.000 -4.713) 4.984 12.909 ( 2.323 0.000 9.798) 10.070 13.125 ( 0.458 0.000 -10.470) 10.480 16.481 ( -4.572 0.000 16.733) 17.346 16.826 ( -5.868 0.000 -17.311) 18.278 30.065 ( 5.030 0.000 4.146) 6.518 30.151 ( 4.905 0.000 -4.111) 6.400 34.463 ( -0.932 0.000 2.007) 2.213 34.526 ( -1.014 0.000 -3.961) 4.089 79.229 ( -9.407 0.000 2.858) 9.831 79.294 ( -9.995 -0.000 -3.681) 10.651 ======================= Grid point 739 (235/240) ======================= q-point: ( 0.13 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 2.000 0.000 -4.500) 4.925 2.007 ( 2.311 -0.000 -5.034) 5.539 2.854 ( 29.898 0.000 4.841) 30.287 2.953 ( 31.005 0.000 -4.669) 31.355 4.967 ( -7.399 -0.000 5.876) 9.448 4.992 ( -6.586 0.000 3.328) 7.379 7.524 ( -5.610 0.000 6.761) 8.785 7.599 ( -4.622 0.000 -0.977) 4.724 8.386 ( 15.622 0.000 5.723) 16.637 8.517 ( 16.627 0.000 -6.964) 18.026 10.094 ( 0.186 0.000 -2.062) 2.070 10.171 ( 1.169 -0.000 -9.630) 9.701 11.420 ( 3.054 0.000 7.440) 8.042 11.576 ( 5.711 0.000 -7.451) 9.387 12.947 ( 1.059 0.000 7.817) 7.889 13.123 ( -1.059 0.000 -8.510) 8.576 16.359 ( -7.730 0.000 15.215) 17.066 16.669 ( -10.028 0.000 -15.351) 18.336 30.203 ( 8.977 0.000 4.020) 9.836 30.285 ( 8.684 0.000 -3.857) 9.501 34.438 ( -1.624 0.000 2.088) 2.645 34.498 ( -1.814 0.000 -3.641) 4.067 78.974 ( -16.390 0.000 2.606) 16.596 79.024 ( -17.307 -0.000 -2.420) 17.475 ======================= Grid point 741 (236/240) ======================= q-point: ( 0.20 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 3.483 0.000 -3.260) 4.771 2.067 ( 3.957 -0.000 -4.525) 6.011 3.426 ( 27.488 0.000 6.851) 28.329 3.557 ( 29.802 0.000 -5.778) 30.357 4.808 ( -8.369 0.000 6.748) 10.751 4.860 ( -6.262 0.000 1.569) 6.456 7.398 ( -7.186 0.000 7.511) 10.394 7.492 ( -6.321 0.000 -1.907) 6.602 8.633 ( 8.700 0.000 5.132) 10.100 8.762 ( 7.370 0.000 -7.492) 10.509 10.164 ( 7.622 0.000 0.442) 7.635 10.275 ( 10.077 0.000 -10.075) 14.250 11.538 ( 9.131 0.000 9.087) 12.882 11.734 ( 10.480 0.000 -9.634) 14.235 12.937 ( -2.151 0.000 5.908) 6.287 13.076 ( -3.785 0.000 -6.857) 7.833 16.197 ( -8.654 0.000 13.084) 15.687 16.456 ( -11.511 0.000 -12.523) 17.009 30.400 ( 11.125 0.000 3.750) 11.740 30.475 ( 10.625 0.000 -3.392) 11.153 34.403 ( -1.930 0.000 2.131) 2.875 34.458 ( -2.261 0.000 -3.127) 3.859 78.619 ( -19.607 0.000 2.240) 19.734 78.651 ( -20.514 -0.000 -0.972) 20.537 ======================= Grid point 743 (237/240) ======================= q-point: ( 0.27 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 4.914 0.000 -1.639) 5.180 2.159 ( 5.458 -0.000 -3.886) 6.700 3.836 ( 12.478 0.000 9.922) 15.942 4.014 ( 13.641 0.000 -7.192) 15.421 4.707 ( 1.335 -0.000 8.110) 8.219 4.805 ( 2.536 0.000 -1.379) 2.886 7.254 ( -7.502 0.000 7.840) 10.851 7.359 ( -7.298 0.000 -2.522) 7.721 8.716 ( 0.682 0.000 2.542) 2.632 8.808 ( -1.354 0.000 -6.599) 6.736 10.376 ( 13.273 0.000 3.998) 13.861 10.528 ( 14.450 0.000 -10.086) 17.622 11.764 ( 13.729 0.000 9.032) 16.434 11.966 ( 12.890 0.000 -10.106) 16.379 12.869 ( -4.553 0.000 4.078) 6.112 12.981 ( -5.796 0.000 -6.036) 8.369 16.038 ( -7.383 0.000 10.666) 12.972 16.240 ( -10.421 0.000 -9.298) 13.967 30.620 ( 11.261 0.000 3.301) 11.734 30.683 ( 10.559 0.000 -2.719) 10.903 34.366 ( -1.830 0.000 2.052) 2.750 34.413 ( -2.319 0.000 -2.453) 3.376 78.240 ( -19.040 0.000 1.855) 19.131 78.257 ( -19.711 -0.000 0.189) 19.712 ======================= Grid point 745 (238/240) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 5.898 0.000 0.108) 5.899 2.274 ( 6.242 -0.000 -3.044) 6.945 3.882 ( -5.601 0.000 9.870) 11.349 4.021 ( -8.998 0.000 -2.957) 9.472 4.914 ( 16.121 -0.000 4.103) 16.635 4.977 ( 13.169 0.000 -1.500) 13.254 7.118 ( -6.270 0.000 7.246) 9.582 7.217 ( -7.154 0.000 -2.403) 7.547 8.698 ( -1.810 0.000 0.374) 1.848 8.755 ( -3.371 0.000 -5.267) 6.253 10.635 ( 12.714 0.000 5.776) 13.965 10.784 ( 11.318 0.000 -7.809) 13.751 12.041 ( 14.031 0.000 6.819) 15.600 12.205 ( 11.092 0.000 -8.387) 13.906 12.776 ( -4.737 0.000 2.055) 5.164 12.865 ( -5.796 0.000 -6.078) 8.399 15.920 ( -4.721 0.000 8.098) 9.373 16.063 ( -7.754 0.000 -6.063) 9.843 30.824 ( 9.582 0.000 2.672) 9.948 30.872 ( 8.716 0.000 -1.884) 8.917 34.334 ( -1.396 0.000 1.799) 2.277 34.370 ( -2.031 0.000 -1.665) 2.626 77.902 ( -15.500 0.000 1.544) 15.577 77.909 ( -15.875 -0.000 0.888) 15.900 ======================= Grid point 747 (239/240) ======================= q-point: ( 0.40 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 5.820 0.000 1.476) 6.004 2.391 ( 5.455 -0.000 -1.787) 5.740 3.721 ( -9.042 0.000 7.589) 11.805 3.804 ( -11.608 0.000 -0.067) 11.608 5.202 ( 12.229 -0.000 1.851) 12.368 5.224 ( 10.897 0.000 -0.028) 10.897 7.020 ( -3.663 0.000 5.547) 6.648 7.091 ( -5.634 0.000 -1.320) 5.787 8.665 ( -1.334 0.000 -0.891) 1.604 8.696 ( -2.530 0.000 -3.900) 4.648 10.850 ( 9.192 0.000 5.380) 10.650 10.954 ( 6.154 0.000 -3.961) 7.319 12.276 ( 9.716 0.000 3.711) 10.401 12.372 ( 5.810 0.000 -4.738) 7.497 12.702 ( -2.514 0.000 -0.421) 2.549 12.770 ( -3.804 0.000 -6.781) 7.775 15.857 ( -1.845 0.000 5.407) 5.713 15.942 ( -4.815 0.000 -3.005) 5.676 30.982 ( 6.525 0.000 1.889) 6.793 31.011 ( 5.546 0.000 -0.948) 5.626 34.313 ( -0.744 0.000 1.357) 1.548 34.336 ( -1.486 0.000 -0.823) 1.699 77.653 ( -10.008 0.000 1.357) 10.099 77.655 ( -10.150 -0.000 1.191) 10.219 ======================= Grid point 749 (240/240) ======================= q-point: ( 0.47 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 3.340 0.000 1.614) 3.709 2.466 ( 1.797 0.000 0.070) 1.798 3.591 ( -3.185 0.000 4.849) 5.801 3.622 ( -6.197 0.000 2.046) 6.526 5.364 ( 4.367 0.000 1.200) 4.529 5.369 ( 3.803 0.000 0.795) 3.885 6.981 ( -0.348 0.000 3.120) 3.139 7.007 ( -2.946 0.000 0.641) 3.015 8.650 ( -0.146 0.000 -1.764) 1.770 8.660 ( -1.160 0.000 -2.703) 2.942 10.984 ( 4.533 0.000 3.350) 5.637 11.021 ( 0.732 0.000 0.063) 0.735 12.404 ( 3.595 0.000 1.259) 3.809 12.431 ( 0.628 0.000 -1.018) 1.196 12.687 ( 0.799 0.000 -3.660) 3.746 12.717 ( -2.030 -0.000 -6.442) 6.754 15.845 ( 0.468 0.000 2.652) 2.693 15.873 ( -2.441 0.000 -0.131) 2.444 31.071 ( 2.621 0.000 0.991) 2.802 31.081 ( 1.584 0.000 0.028) 1.584 34.306 ( 0.013 0.000 0.746) 0.746 34.314 ( -0.783 0.000 0.002) 0.783 77.522 ( -3.451 0.002 1.286) 3.683 77.522 ( -3.472 -0.002 1.269) 3.697 =================== 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 3/32400 10.0 4024.432 4211.229 4091.496 0.000 0.000 0.000 3/32400 20.0 1066.491 855.925 874.202 0.000 0.000 0.000 3/32400 30.0 556.632 376.503 410.801 0.000 0.000 0.000 3/32400 40.0 364.542 219.234 247.689 0.000 0.000 0.000 3/32400 50.0 261.472 146.605 168.618 0.000 0.000 0.000 3/32400 60.0 196.297 105.800 122.869 0.000 0.000 0.000 3/32400 70.0 152.131 80.134 93.664 0.000 0.000 0.000 3/32400 80.0 121.133 62.894 73.901 0.000 0.000 0.000 3/32400 90.0 98.817 50.810 59.986 0.000 0.000 0.000 3/32400 100.0 82.380 42.062 49.876 0.000 0.000 0.000 3/32400 110.0 70.006 35.555 42.332 0.000 0.000 0.000 3/32400 120.0 60.497 30.598 36.568 0.000 0.000 0.000 3/32400 130.0 53.045 26.739 32.070 0.000 0.000 0.000 3/32400 140.0 47.101 23.678 28.492 0.000 0.000 0.000 3/32400 150.0 42.281 21.206 25.596 0.000 0.000 0.000 3/32400 160.0 38.314 19.179 23.215 0.000 0.000 0.000 3/32400 170.0 35.005 17.493 21.231 0.000 0.000 0.000 3/32400 180.0 32.210 16.073 19.556 0.000 0.000 0.000 3/32400 190.0 29.825 14.863 18.126 0.000 0.000 0.000 3/32400 200.0 27.767 13.822 16.892 0.000 0.000 0.000 3/32400 210.0 25.977 12.917 15.818 0.000 0.000 0.000 3/32400 220.0 24.407 12.124 14.876 0.000 0.000 0.000 3/32400 230.0 23.020 11.425 14.042 0.000 0.000 0.000 3/32400 240.0 21.785 10.803 13.300 0.000 0.000 0.000 3/32400 250.0 20.680 10.247 12.635 0.000 0.000 0.000 3/32400 260.0 19.686 9.746 12.036 0.000 0.000 0.000 3/32400 270.0 18.786 9.294 11.493 0.000 0.000 0.000 3/32400 280.0 17.968 8.883 10.999 0.000 0.000 0.000 3/32400 290.0 17.221 8.508 10.548 0.000 0.000 0.000 3/32400 300.0 16.536 8.164 10.134 0.000 0.000 0.000 3/32400 310.0 15.907 7.848 9.752 0.000 0.000 0.000 3/32400 320.0 15.325 7.556 9.399 0.000 0.000 0.000 3/32400 330.0 14.787 7.286 9.072 0.000 0.000 0.000 3/32400 340.0 14.287 7.036 8.769 0.000 0.000 0.000 3/32400 350.0 13.821 6.802 8.485 0.000 0.000 0.000 3/32400 360.0 13.387 6.584 8.220 0.000 0.000 0.000 3/32400 370.0 12.980 6.381 7.972 0.000 0.000 0.000 3/32400 380.0 12.598 6.189 7.739 0.000 0.000 0.000 3/32400 390.0 12.239 6.010 7.520 0.000 0.000 0.000 3/32400 400.0 11.901 5.840 7.313 0.000 0.000 0.000 3/32400 410.0 11.582 5.681 7.118 0.000 0.000 0.000 3/32400 420.0 11.281 5.530 6.934 0.000 0.000 0.000 3/32400 430.0 10.996 5.387 6.759 0.000 0.000 0.000 3/32400 440.0 10.725 5.252 6.593 0.000 0.000 0.000 3/32400 450.0 10.468 5.123 6.435 0.000 0.000 0.000 3/32400 460.0 10.224 5.001 6.285 0.000 0.000 0.000 3/32400 470.0 9.991 4.884 6.142 0.000 0.000 0.000 3/32400 480.0 9.769 4.773 6.006 0.000 0.000 0.000 3/32400 490.0 9.557 4.667 5.875 0.000 0.000 0.000 3/32400 500.0 9.354 4.566 5.751 0.000 0.000 0.000 3/32400 510.0 9.161 4.469 5.631 0.000 0.000 0.000 3/32400 520.0 8.975 4.377 5.517 0.000 0.000 0.000 3/32400 530.0 8.797 4.288 5.407 0.000 0.000 0.000 3/32400 540.0 8.627 4.203 5.302 0.000 0.000 0.000 3/32400 550.0 8.463 4.121 5.201 0.000 0.000 0.000 3/32400 560.0 8.305 4.042 5.104 0.000 0.000 0.000 3/32400 570.0 8.154 3.966 5.010 0.000 0.000 0.000 3/32400 580.0 8.008 3.894 4.920 0.000 0.000 0.000 3/32400 590.0 7.867 3.823 4.833 0.000 0.000 0.000 3/32400 600.0 7.731 3.756 4.749 0.000 0.000 0.000 3/32400 610.0 7.601 3.690 4.668 0.000 0.000 0.000 3/32400 620.0 7.474 3.627 4.590 0.000 0.000 0.000 3/32400 630.0 7.352 3.567 4.515 0.000 0.000 0.000 3/32400 640.0 7.234 3.508 4.441 0.000 0.000 0.000 3/32400 650.0 7.120 3.451 4.371 0.000 0.000 0.000 3/32400 660.0 7.010 3.396 4.302 0.000 0.000 0.000 3/32400 670.0 6.903 3.343 4.236 0.000 0.000 0.000 3/32400 680.0 6.799 3.291 4.172 0.000 0.000 0.000 3/32400 690.0 6.698 3.241 4.110 0.000 0.000 0.000 3/32400 700.0 6.601 3.192 4.049 0.000 0.000 0.000 3/32400 710.0 6.506 3.145 3.991 0.000 0.000 0.000 3/32400 720.0 6.414 3.100 3.934 0.000 0.000 0.000 3/32400 730.0 6.325 3.055 3.878 0.000 0.000 0.000 3/32400 740.0 6.238 3.012 3.825 0.000 0.000 0.000 3/32400 750.0 6.154 2.970 3.772 0.000 0.000 0.000 3/32400 760.0 6.072 2.930 3.721 0.000 0.000 0.000 3/32400 770.0 5.992 2.890 3.672 0.000 0.000 0.000 3/32400 780.0 5.915 2.851 3.624 0.000 0.000 0.000 3/32400 790.0 5.839 2.814 3.577 0.000 0.000 0.000 3/32400 800.0 5.765 2.777 3.531 0.000 0.000 0.000 3/32400 810.0 5.694 2.742 3.487 0.000 0.000 0.000 3/32400 820.0 5.624 2.707 3.443 0.000 0.000 0.000 3/32400 830.0 5.555 2.673 3.401 0.000 0.000 0.000 3/32400 840.0 5.489 2.640 3.360 0.000 0.000 0.000 3/32400 850.0 5.424 2.608 3.319 0.000 0.000 0.000 3/32400 860.0 5.361 2.577 3.280 0.000 0.000 0.000 3/32400 870.0 5.299 2.546 3.242 0.000 0.000 0.000 3/32400 880.0 5.238 2.516 3.204 0.000 0.000 0.000 3/32400 890.0 5.179 2.487 3.168 0.000 0.000 0.000 3/32400 900.0 5.122 2.458 3.132 0.000 0.000 0.000 3/32400 910.0 5.065 2.431 3.097 0.000 0.000 0.000 3/32400 920.0 5.010 2.403 3.063 0.000 0.000 0.000 3/32400 930.0 4.956 2.377 3.029 0.000 0.000 0.000 3/32400 940.0 4.903 2.351 2.996 0.000 0.000 0.000 3/32400 950.0 4.852 2.325 2.964 0.000 0.000 0.000 3/32400 960.0 4.801 2.300 2.933 0.000 0.000 0.000 3/32400 970.0 4.752 2.276 2.902 0.000 0.000 0.000 3/32400 980.0 4.703 2.252 2.872 0.000 0.000 0.000 3/32400 990.0 4.656 2.229 2.843 0.000 0.000 0.000 3/32400 1000.0 4.610 2.206 2.814 0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m15109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:45:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|