----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:38:19]------------------------- Compiled with OpenMP support (max 32 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 2.969624790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.301542290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.902699720000000 Atomic positions (fractional): *1 H 0.50000000000000 0.28765785149824 0.01355697222413 1.008 2 H 0.00000000000000 0.71234214850176 0.51355697222413 1.008 *3 O 0.00000000000000 0.50946836285699 0.64214277845750 15.999 4 O 0.50000000000000 0.49053163714301 0.14214277845750 15.999 *5 O 0.00000000000000 0.98654621968315 0.35570677303265 15.999 6 O 0.50000000000000 0.01345378031685 0.85570677303265 15.999 *7 Ga 0.50000000000000 0.23178052553390 0.50189348628571 69.723 8 Ga 0.00000000000000 0.76821947446610 0.00189348628571 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 2.969624790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.301542290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.902699720000000 Atomic positions (fractional): *1 H 0.50000000000000 0.28765785149824 0.01355697222413 1.008 > 1 2 H 0.00000000000000 0.71234214850176 0.51355697222413 1.008 > 2 *3 O 0.00000000000000 0.50946836285699 0.64214277845750 15.999 > 3 4 O 0.50000000000000 0.49053163714301 0.14214277845750 15.999 > 4 *5 O 0.00000000000000 0.98654621968315 0.35570677303265 15.999 > 5 6 O 0.50000000000000 0.01345378031685 0.85570677303265 15.999 > 6 *7 Ga 0.50000000000000 0.23178052553390 0.50189348628571 69.723 > 7 8 Ga 0.00000000000000 0.76821947446610 0.00189348628571 69.723 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.908874369999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.904626870000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.805399440000000 Atomic positions (fractional): *1 H 0.16666666666667 0.09588595049941 0.00677848611207 1.008 > 1 2 H 0.50000000000000 0.09588595049941 0.00677848611207 1.008 > 1 3 H 0.83333333333333 0.09588595049941 0.00677848611207 1.008 > 1 4 H 0.16666666666667 0.42921928383275 0.00677848611207 1.008 > 1 5 H 0.50000000000000 0.42921928383275 0.00677848611207 1.008 > 1 6 H 0.83333333333333 0.42921928383275 0.00677848611207 1.008 > 1 7 H 0.16666666666667 0.76255261716608 0.00677848611207 1.008 > 1 8 H 0.50000000000000 0.76255261716608 0.00677848611207 1.008 > 1 9 H 0.83333333333333 0.76255261716608 0.00677848611207 1.008 > 1 10 H 0.16666666666667 0.09588595049941 0.50677848611207 1.008 > 1 11 H 0.50000000000000 0.09588595049941 0.50677848611207 1.008 > 1 12 H 0.83333333333333 0.09588595049941 0.50677848611207 1.008 > 1 13 H 0.16666666666667 0.42921928383275 0.50677848611207 1.008 > 1 14 H 0.50000000000000 0.42921928383275 0.50677848611207 1.008 > 1 15 H 0.83333333333333 0.42921928383275 0.50677848611207 1.008 > 1 16 H 0.16666666666667 0.76255261716608 0.50677848611207 1.008 > 1 17 H 0.50000000000000 0.76255261716608 0.50677848611207 1.008 > 1 18 H 0.83333333333333 0.76255261716608 0.50677848611207 1.008 > 1 19 H 0.00000000000000 0.23744738283392 0.25677848611207 1.008 > 2 20 H 0.33333333333333 0.23744738283392 0.25677848611207 1.008 > 2 21 H 0.66666666666667 0.23744738283392 0.25677848611207 1.008 > 2 22 H 0.00000000000000 0.57078071616725 0.25677848611207 1.008 > 2 23 H 0.33333333333333 0.57078071616725 0.25677848611207 1.008 > 2 24 H 0.66666666666667 0.57078071616725 0.25677848611207 1.008 > 2 25 H 0.00000000000000 0.90411404950059 0.25677848611207 1.008 > 2 26 H 0.33333333333333 0.90411404950059 0.25677848611207 1.008 > 2 27 H 0.66666666666667 0.90411404950059 0.25677848611207 1.008 > 2 28 H 0.00000000000000 0.23744738283392 0.75677848611207 1.008 > 2 29 H 0.33333333333333 0.23744738283392 0.75677848611207 1.008 > 2 30 H 0.66666666666667 0.23744738283392 0.75677848611207 1.008 > 2 31 H 0.00000000000000 0.57078071616725 0.75677848611207 1.008 > 2 32 H 0.33333333333333 0.57078071616725 0.75677848611207 1.008 > 2 33 H 0.66666666666667 0.57078071616725 0.75677848611207 1.008 > 2 34 H 0.00000000000000 0.90411404950059 0.75677848611207 1.008 > 2 35 H 0.33333333333333 0.90411404950059 0.75677848611207 1.008 > 2 36 H 0.66666666666667 0.90411404950059 0.75677848611207 1.008 > 2 *37 O 0.00000000000000 0.16982278761900 0.32107138922875 15.999 > 3 38 O 0.33333333333333 0.16982278761900 0.32107138922875 15.999 > 3 39 O 0.66666666666667 0.16982278761900 0.32107138922875 15.999 > 3 40 O 0.00000000000000 0.50315612095233 0.32107138922875 15.999 > 3 41 O 0.33333333333333 0.50315612095233 0.32107138922875 15.999 > 3 42 O 0.66666666666667 0.50315612095233 0.32107138922875 15.999 > 3 43 O 0.00000000000000 0.83648945428566 0.32107138922875 15.999 > 3 44 O 0.33333333333333 0.83648945428566 0.32107138922875 15.999 > 3 45 O 0.66666666666667 0.83648945428566 0.32107138922875 15.999 > 3 46 O 0.00000000000000 0.16982278761900 0.82107138922875 15.999 > 3 47 O 0.33333333333333 0.16982278761900 0.82107138922875 15.999 > 3 48 O 0.66666666666667 0.16982278761900 0.82107138922875 15.999 > 3 49 O 0.00000000000000 0.50315612095233 0.82107138922875 15.999 > 3 50 O 0.33333333333333 0.50315612095233 0.82107138922875 15.999 > 3 51 O 0.66666666666667 0.50315612095233 0.82107138922875 15.999 > 3 52 O 0.00000000000000 0.83648945428566 0.82107138922875 15.999 > 3 53 O 0.33333333333333 0.83648945428566 0.82107138922875 15.999 > 3 54 O 0.66666666666667 0.83648945428566 0.82107138922875 15.999 > 3 55 O 0.16666666666667 0.16351054571434 0.07107138922875 15.999 > 4 56 O 0.50000000000000 0.16351054571434 0.07107138922875 15.999 > 4 57 O 0.83333333333333 0.16351054571434 0.07107138922875 15.999 > 4 58 O 0.16666666666667 0.49684387904767 0.07107138922875 15.999 > 4 59 O 0.50000000000000 0.49684387904767 0.07107138922875 15.999 > 4 60 O 0.83333333333333 0.49684387904767 0.07107138922875 15.999 > 4 61 O 0.16666666666667 0.83017721238100 0.07107138922875 15.999 > 4 62 O 0.50000000000000 0.83017721238100 0.07107138922875 15.999 > 4 63 O 0.83333333333333 0.83017721238100 0.07107138922875 15.999 > 4 64 O 0.16666666666667 0.16351054571434 0.57107138922875 15.999 > 4 65 O 0.50000000000000 0.16351054571434 0.57107138922875 15.999 > 4 66 O 0.83333333333333 0.16351054571434 0.57107138922875 15.999 > 4 67 O 0.16666666666667 0.49684387904767 0.57107138922875 15.999 > 4 68 O 0.50000000000000 0.49684387904767 0.57107138922875 15.999 > 4 69 O 0.83333333333333 0.49684387904767 0.57107138922875 15.999 > 4 70 O 0.16666666666667 0.83017721238100 0.57107138922875 15.999 > 4 71 O 0.50000000000000 0.83017721238100 0.57107138922875 15.999 > 4 72 O 0.83333333333333 0.83017721238100 0.57107138922875 15.999 > 4 *73 O 0.00000000000000 0.32884873989438 0.17785338651633 15.999 > 5 74 O 0.33333333333333 0.32884873989438 0.17785338651633 15.999 > 5 75 O 0.66666666666667 0.32884873989438 0.17785338651633 15.999 > 5 76 O 0.00000000000000 0.66218207322772 0.17785338651633 15.999 > 5 77 O 0.33333333333333 0.66218207322772 0.17785338651633 15.999 > 5 78 O 0.66666666666667 0.66218207322772 0.17785338651633 15.999 > 5 79 O 0.00000000000000 0.99551540656105 0.17785338651633 15.999 > 5 80 O 0.33333333333333 0.99551540656105 0.17785338651633 15.999 > 5 81 O 0.66666666666667 0.99551540656105 0.17785338651633 15.999 > 5 82 O 0.00000000000000 0.32884873989438 0.67785338651633 15.999 > 5 83 O 0.33333333333333 0.32884873989438 0.67785338651633 15.999 > 5 84 O 0.66666666666667 0.32884873989438 0.67785338651633 15.999 > 5 85 O 0.00000000000000 0.66218207322772 0.67785338651633 15.999 > 5 86 O 0.33333333333333 0.66218207322772 0.67785338651633 15.999 > 5 87 O 0.66666666666667 0.66218207322772 0.67785338651633 15.999 > 5 88 O 0.00000000000000 0.99551540656105 0.67785338651633 15.999 > 5 89 O 0.33333333333333 0.99551540656105 0.67785338651633 15.999 > 5 90 O 0.66666666666667 0.99551540656105 0.67785338651633 15.999 > 5 91 O 0.16666666666667 0.00448459343895 0.42785338651633 15.999 > 6 92 O 0.50000000000000 0.00448459343895 0.42785338651633 15.999 > 6 93 O 0.83333333333333 0.00448459343895 0.42785338651633 15.999 > 6 94 O 0.16666666666667 0.33781792677228 0.42785338651633 15.999 > 6 95 O 0.50000000000000 0.33781792677228 0.42785338651633 15.999 > 6 96 O 0.83333333333333 0.33781792677228 0.42785338651633 15.999 > 6 97 O 0.16666666666667 0.67115126010562 0.42785338651633 15.999 > 6 98 O 0.50000000000000 0.67115126010562 0.42785338651633 15.999 > 6 99 O 0.83333333333333 0.67115126010562 0.42785338651633 15.999 > 6 100 O 0.16666666666667 0.00448459343895 0.92785338651633 15.999 > 6 101 O 0.50000000000000 0.00448459343895 0.92785338651633 15.999 > 6 102 O 0.83333333333333 0.00448459343895 0.92785338651633 15.999 > 6 103 O 0.16666666666667 0.33781792677228 0.92785338651633 15.999 > 6 104 O 0.50000000000000 0.33781792677228 0.92785338651633 15.999 > 6 105 O 0.83333333333333 0.33781792677228 0.92785338651633 15.999 > 6 106 O 0.16666666666667 0.67115126010562 0.92785338651633 15.999 > 6 107 O 0.50000000000000 0.67115126010562 0.92785338651633 15.999 > 6 108 O 0.83333333333333 0.67115126010562 0.92785338651633 15.999 > 6 *109 Ga 0.16666666666667 0.07726017517797 0.25094674314286 69.723 > 7 110 Ga 0.50000000000000 0.07726017517797 0.25094674314286 69.723 > 7 111 Ga 0.83333333333333 0.07726017517797 0.25094674314286 69.723 > 7 112 Ga 0.16666666666667 0.41059350851130 0.25094674314286 69.723 > 7 113 Ga 0.50000000000000 0.41059350851130 0.25094674314286 69.723 > 7 114 Ga 0.83333333333333 0.41059350851130 0.25094674314286 69.723 > 7 115 Ga 0.16666666666667 0.74392684184463 0.25094674314286 69.723 > 7 116 Ga 0.50000000000000 0.74392684184463 0.25094674314286 69.723 > 7 117 Ga 0.83333333333333 0.74392684184463 0.25094674314286 69.723 > 7 118 Ga 0.16666666666667 0.07726017517797 0.75094674314286 69.723 > 7 119 Ga 0.50000000000000 0.07726017517797 0.75094674314286 69.723 > 7 120 Ga 0.83333333333333 0.07726017517797 0.75094674314286 69.723 > 7 121 Ga 0.16666666666667 0.41059350851130 0.75094674314286 69.723 > 7 122 Ga 0.50000000000000 0.41059350851130 0.75094674314286 69.723 > 7 123 Ga 0.83333333333333 0.41059350851130 0.75094674314286 69.723 > 7 124 Ga 0.16666666666667 0.74392684184463 0.75094674314286 69.723 > 7 125 Ga 0.50000000000000 0.74392684184463 0.75094674314286 69.723 > 7 126 Ga 0.83333333333333 0.74392684184463 0.75094674314286 69.723 > 7 127 Ga 0.00000000000000 0.25607315815537 0.00094674314286 69.723 > 8 128 Ga 0.33333333333333 0.25607315815537 0.00094674314286 69.723 > 8 129 Ga 0.66666666666667 0.25607315815537 0.00094674314286 69.723 > 8 130 Ga 0.00000000000000 0.58940649148870 0.00094674314286 69.723 > 8 131 Ga 0.33333333333333 0.58940649148870 0.00094674314286 69.723 > 8 132 Ga 0.66666666666667 0.58940649148870 0.00094674314286 69.723 > 8 133 Ga 0.00000000000000 0.92273982482203 0.00094674314286 69.723 > 8 134 Ga 0.33333333333333 0.92273982482203 0.00094674314286 69.723 > 8 135 Ga 0.66666666666667 0.92273982482203 0.00094674314286 69.723 > 8 136 Ga 0.00000000000000 0.25607315815537 0.50094674314286 69.723 > 8 137 Ga 0.33333333333333 0.25607315815537 0.50094674314286 69.723 > 8 138 Ga 0.66666666666667 0.25607315815537 0.50094674314286 69.723 > 8 139 Ga 0.00000000000000 0.58940649148870 0.50094674314286 69.723 > 8 140 Ga 0.33333333333333 0.58940649148870 0.50094674314286 69.723 > 8 141 Ga 0.66666666666667 0.58940649148870 0.50094674314286 69.723 > 8 142 Ga 0.00000000000000 0.92273982482203 0.50094674314286 69.723 > 8 143 Ga 0.33333333333333 0.92273982482203 0.50094674314286 69.723 > 8 144 Ga 0.66666666666667 0.92273982482203 0.50094674314286 69.723 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9190514 0.0000000 0.0000000 0.0000000 4.0565956 0.0000000 0.0000000 0.0000000 3.9784972 -------------------------- Born effective charges -------------------------- 1 H 0.2558101 0.0000000 0.0000000 0.0000000 1.6301316 0.9090051 0.0000000 0.7808334 0.8470819 2 H 0.2558101 0.0000000 0.0000000 0.0000000 1.6301316 -0.9090051 0.0000000 -0.7808334 0.8470819 3 O -1.6849853 0.0000000 0.0000000 0.0000000 -2.4410492 0.0504872 0.0000000 -0.0189054 -1.9866889 4 O -1.6849853 0.0000000 0.0000000 0.0000000 -2.4410492 -0.0504872 0.0000000 0.0189054 -1.9866889 5 O -1.9275494 0.0000000 0.0000000 0.0000000 -2.3282942 -0.0775640 0.0000000 -0.0927724 -2.1754767 6 O -1.9275494 0.0000000 0.0000000 0.0000000 -2.3282942 0.0775640 0.0000000 0.0927724 -2.1754767 7 Ga 3.3567245 0.0000000 0.0000000 0.0000000 3.1392118 -0.1750684 0.0000000 -0.1070661 3.3150837 8 Ga 3.3567245 0.0000000 0.0000000 0.0000000 3.1392118 0.1750684 0.0000000 0.1070661 3.3150837 ---------------------------------------------------------------------------- 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): 0.009 Solver_block: 100 / 240 - Time: 0.417 Solver_block: 200 / 240 - Time: 0.421 Solver_block: 240 / 240 - Time: 0.214 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.078 --------------------------------- 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 05:38:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:38:35]------------------------- Compiled with OpenMP support (max 32 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 2.969624790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.301542290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.902699720000000 Atomic positions (fractional): 1 H 0.50000000000000 0.28765785149824 0.01355697222413 1.008 2 H 0.00000000000000 0.71234214850176 0.51355697222413 1.008 3 O 0.00000000000000 0.50946836285699 0.64214277845750 15.999 4 O 0.50000000000000 0.49053163714301 0.14214277845750 15.999 5 O 0.00000000000000 0.98654621968315 0.35570677303265 15.999 6 O 0.50000000000000 0.01345378031685 0.85570677303265 15.999 7 Ga 0.50000000000000 0.23178052553390 0.50189348628571 69.723 8 Ga 0.00000000000000 0.76821947446610 0.00189348628571 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.908874369999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.904626870000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.805399440000000 Atomic positions (fractional): 1 H 0.16666666666667 0.09588595049941 0.00677848611207 1.008 > 1 2 H 0.50000000000000 0.09588595049941 0.00677848611207 1.008 > 1 3 H 0.83333333333333 0.09588595049941 0.00677848611207 1.008 > 1 4 H 0.16666666666667 0.42921928383275 0.00677848611207 1.008 > 1 5 H 0.50000000000000 0.42921928383275 0.00677848611207 1.008 > 1 6 H 0.83333333333333 0.42921928383275 0.00677848611207 1.008 > 1 7 H 0.16666666666667 0.76255261716608 0.00677848611207 1.008 > 1 8 H 0.50000000000000 0.76255261716608 0.00677848611207 1.008 > 1 9 H 0.83333333333333 0.76255261716608 0.00677848611207 1.008 > 1 10 H 0.16666666666667 0.09588595049941 0.50677848611207 1.008 > 1 11 H 0.50000000000000 0.09588595049941 0.50677848611207 1.008 > 1 12 H 0.83333333333333 0.09588595049941 0.50677848611207 1.008 > 1 13 H 0.16666666666667 0.42921928383275 0.50677848611207 1.008 > 1 14 H 0.50000000000000 0.42921928383275 0.50677848611207 1.008 > 1 15 H 0.83333333333333 0.42921928383275 0.50677848611207 1.008 > 1 16 H 0.16666666666667 0.76255261716608 0.50677848611207 1.008 > 1 17 H 0.50000000000000 0.76255261716608 0.50677848611207 1.008 > 1 18 H 0.83333333333333 0.76255261716608 0.50677848611207 1.008 > 1 19 H 0.00000000000000 0.23744738283392 0.25677848611207 1.008 > 19 20 H 0.33333333333333 0.23744738283392 0.25677848611207 1.008 > 19 21 H 0.66666666666667 0.23744738283392 0.25677848611207 1.008 > 19 22 H 0.00000000000000 0.57078071616725 0.25677848611207 1.008 > 19 23 H 0.33333333333333 0.57078071616725 0.25677848611207 1.008 > 19 24 H 0.66666666666667 0.57078071616725 0.25677848611207 1.008 > 19 25 H 0.00000000000000 0.90411404950059 0.25677848611207 1.008 > 19 26 H 0.33333333333333 0.90411404950059 0.25677848611207 1.008 > 19 27 H 0.66666666666667 0.90411404950059 0.25677848611207 1.008 > 19 28 H 0.00000000000000 0.23744738283392 0.75677848611207 1.008 > 19 29 H 0.33333333333333 0.23744738283392 0.75677848611207 1.008 > 19 30 H 0.66666666666667 0.23744738283392 0.75677848611207 1.008 > 19 31 H 0.00000000000000 0.57078071616725 0.75677848611207 1.008 > 19 32 H 0.33333333333333 0.57078071616725 0.75677848611207 1.008 > 19 33 H 0.66666666666667 0.57078071616725 0.75677848611207 1.008 > 19 34 H 0.00000000000000 0.90411404950059 0.75677848611207 1.008 > 19 35 H 0.33333333333333 0.90411404950059 0.75677848611207 1.008 > 19 36 H 0.66666666666667 0.90411404950059 0.75677848611207 1.008 > 19 37 O 0.00000000000000 0.16982278761900 0.32107138922875 15.999 > 37 38 O 0.33333333333333 0.16982278761900 0.32107138922875 15.999 > 37 39 O 0.66666666666667 0.16982278761900 0.32107138922875 15.999 > 37 40 O 0.00000000000000 0.50315612095233 0.32107138922875 15.999 > 37 41 O 0.33333333333333 0.50315612095233 0.32107138922875 15.999 > 37 42 O 0.66666666666667 0.50315612095233 0.32107138922875 15.999 > 37 43 O 0.00000000000000 0.83648945428566 0.32107138922875 15.999 > 37 44 O 0.33333333333333 0.83648945428566 0.32107138922875 15.999 > 37 45 O 0.66666666666667 0.83648945428566 0.32107138922875 15.999 > 37 46 O 0.00000000000000 0.16982278761900 0.82107138922875 15.999 > 37 47 O 0.33333333333333 0.16982278761900 0.82107138922875 15.999 > 37 48 O 0.66666666666667 0.16982278761900 0.82107138922875 15.999 > 37 49 O 0.00000000000000 0.50315612095233 0.82107138922875 15.999 > 37 50 O 0.33333333333333 0.50315612095233 0.82107138922875 15.999 > 37 51 O 0.66666666666667 0.50315612095233 0.82107138922875 15.999 > 37 52 O 0.00000000000000 0.83648945428566 0.82107138922875 15.999 > 37 53 O 0.33333333333333 0.83648945428566 0.82107138922875 15.999 > 37 54 O 0.66666666666667 0.83648945428566 0.82107138922875 15.999 > 37 55 O 0.16666666666667 0.16351054571434 0.07107138922875 15.999 > 55 56 O 0.50000000000000 0.16351054571434 0.07107138922875 15.999 > 55 57 O 0.83333333333333 0.16351054571434 0.07107138922875 15.999 > 55 58 O 0.16666666666667 0.49684387904767 0.07107138922875 15.999 > 55 59 O 0.50000000000000 0.49684387904767 0.07107138922875 15.999 > 55 60 O 0.83333333333333 0.49684387904767 0.07107138922875 15.999 > 55 61 O 0.16666666666667 0.83017721238100 0.07107138922875 15.999 > 55 62 O 0.50000000000000 0.83017721238100 0.07107138922875 15.999 > 55 63 O 0.83333333333333 0.83017721238100 0.07107138922875 15.999 > 55 64 O 0.16666666666667 0.16351054571434 0.57107138922875 15.999 > 55 65 O 0.50000000000000 0.16351054571434 0.57107138922875 15.999 > 55 66 O 0.83333333333333 0.16351054571434 0.57107138922875 15.999 > 55 67 O 0.16666666666667 0.49684387904767 0.57107138922875 15.999 > 55 68 O 0.50000000000000 0.49684387904767 0.57107138922875 15.999 > 55 69 O 0.83333333333333 0.49684387904767 0.57107138922875 15.999 > 55 70 O 0.16666666666667 0.83017721238100 0.57107138922875 15.999 > 55 71 O 0.50000000000000 0.83017721238100 0.57107138922875 15.999 > 55 72 O 0.83333333333333 0.83017721238100 0.57107138922875 15.999 > 55 73 O 0.00000000000000 0.32884873989438 0.17785338651633 15.999 > 73 74 O 0.33333333333333 0.32884873989438 0.17785338651633 15.999 > 73 75 O 0.66666666666667 0.32884873989438 0.17785338651633 15.999 > 73 76 O 0.00000000000000 0.66218207322772 0.17785338651633 15.999 > 73 77 O 0.33333333333333 0.66218207322772 0.17785338651633 15.999 > 73 78 O 0.66666666666667 0.66218207322772 0.17785338651633 15.999 > 73 79 O 0.00000000000000 0.99551540656105 0.17785338651633 15.999 > 73 80 O 0.33333333333333 0.99551540656105 0.17785338651633 15.999 > 73 81 O 0.66666666666667 0.99551540656105 0.17785338651633 15.999 > 73 82 O 0.00000000000000 0.32884873989438 0.67785338651633 15.999 > 73 83 O 0.33333333333333 0.32884873989438 0.67785338651633 15.999 > 73 84 O 0.66666666666667 0.32884873989438 0.67785338651633 15.999 > 73 85 O 0.00000000000000 0.66218207322772 0.67785338651633 15.999 > 73 86 O 0.33333333333333 0.66218207322772 0.67785338651633 15.999 > 73 87 O 0.66666666666667 0.66218207322772 0.67785338651633 15.999 > 73 88 O 0.00000000000000 0.99551540656105 0.67785338651633 15.999 > 73 89 O 0.33333333333333 0.99551540656105 0.67785338651633 15.999 > 73 90 O 0.66666666666667 0.99551540656105 0.67785338651633 15.999 > 73 91 O 0.16666666666667 0.00448459343895 0.42785338651633 15.999 > 91 92 O 0.50000000000000 0.00448459343895 0.42785338651633 15.999 > 91 93 O 0.83333333333333 0.00448459343895 0.42785338651633 15.999 > 91 94 O 0.16666666666667 0.33781792677228 0.42785338651633 15.999 > 91 95 O 0.50000000000000 0.33781792677228 0.42785338651633 15.999 > 91 96 O 0.83333333333333 0.33781792677228 0.42785338651633 15.999 > 91 97 O 0.16666666666667 0.67115126010562 0.42785338651633 15.999 > 91 98 O 0.50000000000000 0.67115126010562 0.42785338651633 15.999 > 91 99 O 0.83333333333333 0.67115126010562 0.42785338651633 15.999 > 91 100 O 0.16666666666667 0.00448459343895 0.92785338651633 15.999 > 91 101 O 0.50000000000000 0.00448459343895 0.92785338651633 15.999 > 91 102 O 0.83333333333333 0.00448459343895 0.92785338651633 15.999 > 91 103 O 0.16666666666667 0.33781792677228 0.92785338651633 15.999 > 91 104 O 0.50000000000000 0.33781792677228 0.92785338651633 15.999 > 91 105 O 0.83333333333333 0.33781792677228 0.92785338651633 15.999 > 91 106 O 0.16666666666667 0.67115126010562 0.92785338651633 15.999 > 91 107 O 0.50000000000000 0.67115126010562 0.92785338651633 15.999 > 91 108 O 0.83333333333333 0.67115126010562 0.92785338651633 15.999 > 91 109 Ga 0.16666666666667 0.07726017517797 0.25094674314286 69.723 > 109 110 Ga 0.50000000000000 0.07726017517797 0.25094674314286 69.723 > 109 111 Ga 0.83333333333333 0.07726017517797 0.25094674314286 69.723 > 109 112 Ga 0.16666666666667 0.41059350851130 0.25094674314286 69.723 > 109 113 Ga 0.50000000000000 0.41059350851130 0.25094674314286 69.723 > 109 114 Ga 0.83333333333333 0.41059350851130 0.25094674314286 69.723 > 109 115 Ga 0.16666666666667 0.74392684184463 0.25094674314286 69.723 > 109 116 Ga 0.50000000000000 0.74392684184463 0.25094674314286 69.723 > 109 117 Ga 0.83333333333333 0.74392684184463 0.25094674314286 69.723 > 109 118 Ga 0.16666666666667 0.07726017517797 0.75094674314286 69.723 > 109 119 Ga 0.50000000000000 0.07726017517797 0.75094674314286 69.723 > 109 120 Ga 0.83333333333333 0.07726017517797 0.75094674314286 69.723 > 109 121 Ga 0.16666666666667 0.41059350851130 0.75094674314286 69.723 > 109 122 Ga 0.50000000000000 0.41059350851130 0.75094674314286 69.723 > 109 123 Ga 0.83333333333333 0.41059350851130 0.75094674314286 69.723 > 109 124 Ga 0.16666666666667 0.74392684184463 0.75094674314286 69.723 > 109 125 Ga 0.50000000000000 0.74392684184463 0.75094674314286 69.723 > 109 126 Ga 0.83333333333333 0.74392684184463 0.75094674314286 69.723 > 109 127 Ga 0.00000000000000 0.25607315815537 0.00094674314286 69.723 > 127 128 Ga 0.33333333333333 0.25607315815537 0.00094674314286 69.723 > 127 129 Ga 0.66666666666667 0.25607315815537 0.00094674314286 69.723 > 127 130 Ga 0.00000000000000 0.58940649148870 0.00094674314286 69.723 > 127 131 Ga 0.33333333333333 0.58940649148870 0.00094674314286 69.723 > 127 132 Ga 0.66666666666667 0.58940649148870 0.00094674314286 69.723 > 127 133 Ga 0.00000000000000 0.92273982482203 0.00094674314286 69.723 > 127 134 Ga 0.33333333333333 0.92273982482203 0.00094674314286 69.723 > 127 135 Ga 0.66666666666667 0.92273982482203 0.00094674314286 69.723 > 127 136 Ga 0.00000000000000 0.25607315815537 0.50094674314286 69.723 > 127 137 Ga 0.33333333333333 0.25607315815537 0.50094674314286 69.723 > 127 138 Ga 0.66666666666667 0.25607315815537 0.50094674314286 69.723 > 127 139 Ga 0.00000000000000 0.58940649148870 0.50094674314286 69.723 > 127 140 Ga 0.33333333333333 0.58940649148870 0.50094674314286 69.723 > 127 141 Ga 0.66666666666667 0.58940649148870 0.50094674314286 69.723 > 127 142 Ga 0.00000000000000 0.92273982482203 0.50094674314286 69.723 > 127 143 Ga 0.33333333333333 0.92273982482203 0.50094674314286 69.723 > 127 144 Ga 0.66666666666667 0.92273982482203 0.50094674314286 69.723 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9190514 0.0000000 0.0000000 0.0000000 4.0565956 0.0000000 0.0000000 0.0000000 3.9784972 -------------------------- Born effective charges -------------------------- 1 H 0.2558101 0.0000000 0.0000000 0.0000000 1.6301316 0.9090051 0.0000000 0.7808334 0.8470819 2 H 0.2558101 0.0000000 0.0000000 0.0000000 1.6301316 -0.9090051 0.0000000 -0.7808334 0.8470819 3 O -1.6849853 0.0000000 0.0000000 0.0000000 -2.4410492 0.0504872 0.0000000 -0.0189054 -1.9866889 4 O -1.6849853 0.0000000 0.0000000 0.0000000 -2.4410492 -0.0504872 0.0000000 0.0189054 -1.9866889 5 O -1.9275494 0.0000000 0.0000000 0.0000000 -2.3282942 -0.0775640 0.0000000 -0.0927724 -2.1754767 6 O -1.9275494 0.0000000 0.0000000 0.0000000 -2.3282942 0.0775640 0.0000000 0.0927724 -2.1754767 7 Ga 3.3567245 0.0000000 0.0000000 0.0000000 3.1392118 -0.1750684 0.0000000 -0.1070661 3.3150837 8 Ga 3.3567245 0.0000000 0.0000000 0.0000000 3.1392118 0.1750684 0.0000000 0.1070661 3.3150837 ---------------------------------------------------------------------------- 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[ 109, 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:38:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:38:57]------------------------- Compiled with OpenMP support (max 32 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 2.969624790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.301542290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.902699720000000 Atomic positions (fractional): 1 H 0.50000000000000 0.28765785149824 0.01355697222413 1.008 2 H 0.00000000000000 0.71234214850176 0.51355697222413 1.008 3 O 0.00000000000000 0.50946836285699 0.64214277845750 15.999 4 O 0.50000000000000 0.49053163714301 0.14214277845750 15.999 5 O 0.00000000000000 0.98654621968315 0.35570677303265 15.999 6 O 0.50000000000000 0.01345378031685 0.85570677303265 15.999 7 Ga 0.50000000000000 0.23178052553390 0.50189348628571 69.723 8 Ga 0.00000000000000 0.76821947446610 0.00189348628571 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.908874369999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.904626870000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.805399440000000 Atomic positions (fractional): 1 H 0.16666666666667 0.09588595049941 0.00677848611207 1.008 > 1 2 H 0.50000000000000 0.09588595049941 0.00677848611207 1.008 > 1 3 H 0.83333333333333 0.09588595049941 0.00677848611207 1.008 > 1 4 H 0.16666666666667 0.42921928383275 0.00677848611207 1.008 > 1 5 H 0.50000000000000 0.42921928383275 0.00677848611207 1.008 > 1 6 H 0.83333333333333 0.42921928383275 0.00677848611207 1.008 > 1 7 H 0.16666666666667 0.76255261716608 0.00677848611207 1.008 > 1 8 H 0.50000000000000 0.76255261716608 0.00677848611207 1.008 > 1 9 H 0.83333333333333 0.76255261716608 0.00677848611207 1.008 > 1 10 H 0.16666666666667 0.09588595049941 0.50677848611207 1.008 > 1 11 H 0.50000000000000 0.09588595049941 0.50677848611207 1.008 > 1 12 H 0.83333333333333 0.09588595049941 0.50677848611207 1.008 > 1 13 H 0.16666666666667 0.42921928383275 0.50677848611207 1.008 > 1 14 H 0.50000000000000 0.42921928383275 0.50677848611207 1.008 > 1 15 H 0.83333333333333 0.42921928383275 0.50677848611207 1.008 > 1 16 H 0.16666666666667 0.76255261716608 0.50677848611207 1.008 > 1 17 H 0.50000000000000 0.76255261716608 0.50677848611207 1.008 > 1 18 H 0.83333333333333 0.76255261716608 0.50677848611207 1.008 > 1 19 H 0.00000000000000 0.23744738283392 0.25677848611207 1.008 > 19 20 H 0.33333333333333 0.23744738283392 0.25677848611207 1.008 > 19 21 H 0.66666666666667 0.23744738283392 0.25677848611207 1.008 > 19 22 H 0.00000000000000 0.57078071616725 0.25677848611207 1.008 > 19 23 H 0.33333333333333 0.57078071616725 0.25677848611207 1.008 > 19 24 H 0.66666666666667 0.57078071616725 0.25677848611207 1.008 > 19 25 H 0.00000000000000 0.90411404950059 0.25677848611207 1.008 > 19 26 H 0.33333333333333 0.90411404950059 0.25677848611207 1.008 > 19 27 H 0.66666666666667 0.90411404950059 0.25677848611207 1.008 > 19 28 H 0.00000000000000 0.23744738283392 0.75677848611207 1.008 > 19 29 H 0.33333333333333 0.23744738283392 0.75677848611207 1.008 > 19 30 H 0.66666666666667 0.23744738283392 0.75677848611207 1.008 > 19 31 H 0.00000000000000 0.57078071616725 0.75677848611207 1.008 > 19 32 H 0.33333333333333 0.57078071616725 0.75677848611207 1.008 > 19 33 H 0.66666666666667 0.57078071616725 0.75677848611207 1.008 > 19 34 H 0.00000000000000 0.90411404950059 0.75677848611207 1.008 > 19 35 H 0.33333333333333 0.90411404950059 0.75677848611207 1.008 > 19 36 H 0.66666666666667 0.90411404950059 0.75677848611207 1.008 > 19 37 O 0.00000000000000 0.16982278761900 0.32107138922875 15.999 > 37 38 O 0.33333333333333 0.16982278761900 0.32107138922875 15.999 > 37 39 O 0.66666666666667 0.16982278761900 0.32107138922875 15.999 > 37 40 O 0.00000000000000 0.50315612095233 0.32107138922875 15.999 > 37 41 O 0.33333333333333 0.50315612095233 0.32107138922875 15.999 > 37 42 O 0.66666666666667 0.50315612095233 0.32107138922875 15.999 > 37 43 O 0.00000000000000 0.83648945428566 0.32107138922875 15.999 > 37 44 O 0.33333333333333 0.83648945428566 0.32107138922875 15.999 > 37 45 O 0.66666666666667 0.83648945428566 0.32107138922875 15.999 > 37 46 O 0.00000000000000 0.16982278761900 0.82107138922875 15.999 > 37 47 O 0.33333333333333 0.16982278761900 0.82107138922875 15.999 > 37 48 O 0.66666666666667 0.16982278761900 0.82107138922875 15.999 > 37 49 O 0.00000000000000 0.50315612095233 0.82107138922875 15.999 > 37 50 O 0.33333333333333 0.50315612095233 0.82107138922875 15.999 > 37 51 O 0.66666666666667 0.50315612095233 0.82107138922875 15.999 > 37 52 O 0.00000000000000 0.83648945428566 0.82107138922875 15.999 > 37 53 O 0.33333333333333 0.83648945428566 0.82107138922875 15.999 > 37 54 O 0.66666666666667 0.83648945428566 0.82107138922875 15.999 > 37 55 O 0.16666666666667 0.16351054571434 0.07107138922875 15.999 > 55 56 O 0.50000000000000 0.16351054571434 0.07107138922875 15.999 > 55 57 O 0.83333333333333 0.16351054571434 0.07107138922875 15.999 > 55 58 O 0.16666666666667 0.49684387904767 0.07107138922875 15.999 > 55 59 O 0.50000000000000 0.49684387904767 0.07107138922875 15.999 > 55 60 O 0.83333333333333 0.49684387904767 0.07107138922875 15.999 > 55 61 O 0.16666666666667 0.83017721238100 0.07107138922875 15.999 > 55 62 O 0.50000000000000 0.83017721238100 0.07107138922875 15.999 > 55 63 O 0.83333333333333 0.83017721238100 0.07107138922875 15.999 > 55 64 O 0.16666666666667 0.16351054571434 0.57107138922875 15.999 > 55 65 O 0.50000000000000 0.16351054571434 0.57107138922875 15.999 > 55 66 O 0.83333333333333 0.16351054571434 0.57107138922875 15.999 > 55 67 O 0.16666666666667 0.49684387904767 0.57107138922875 15.999 > 55 68 O 0.50000000000000 0.49684387904767 0.57107138922875 15.999 > 55 69 O 0.83333333333333 0.49684387904767 0.57107138922875 15.999 > 55 70 O 0.16666666666667 0.83017721238100 0.57107138922875 15.999 > 55 71 O 0.50000000000000 0.83017721238100 0.57107138922875 15.999 > 55 72 O 0.83333333333333 0.83017721238100 0.57107138922875 15.999 > 55 73 O 0.00000000000000 0.32884873989438 0.17785338651633 15.999 > 73 74 O 0.33333333333333 0.32884873989438 0.17785338651633 15.999 > 73 75 O 0.66666666666667 0.32884873989438 0.17785338651633 15.999 > 73 76 O 0.00000000000000 0.66218207322772 0.17785338651633 15.999 > 73 77 O 0.33333333333333 0.66218207322772 0.17785338651633 15.999 > 73 78 O 0.66666666666667 0.66218207322772 0.17785338651633 15.999 > 73 79 O 0.00000000000000 0.99551540656105 0.17785338651633 15.999 > 73 80 O 0.33333333333333 0.99551540656105 0.17785338651633 15.999 > 73 81 O 0.66666666666667 0.99551540656105 0.17785338651633 15.999 > 73 82 O 0.00000000000000 0.32884873989438 0.67785338651633 15.999 > 73 83 O 0.33333333333333 0.32884873989438 0.67785338651633 15.999 > 73 84 O 0.66666666666667 0.32884873989438 0.67785338651633 15.999 > 73 85 O 0.00000000000000 0.66218207322772 0.67785338651633 15.999 > 73 86 O 0.33333333333333 0.66218207322772 0.67785338651633 15.999 > 73 87 O 0.66666666666667 0.66218207322772 0.67785338651633 15.999 > 73 88 O 0.00000000000000 0.99551540656105 0.67785338651633 15.999 > 73 89 O 0.33333333333333 0.99551540656105 0.67785338651633 15.999 > 73 90 O 0.66666666666667 0.99551540656105 0.67785338651633 15.999 > 73 91 O 0.16666666666667 0.00448459343895 0.42785338651633 15.999 > 91 92 O 0.50000000000000 0.00448459343895 0.42785338651633 15.999 > 91 93 O 0.83333333333333 0.00448459343895 0.42785338651633 15.999 > 91 94 O 0.16666666666667 0.33781792677228 0.42785338651633 15.999 > 91 95 O 0.50000000000000 0.33781792677228 0.42785338651633 15.999 > 91 96 O 0.83333333333333 0.33781792677228 0.42785338651633 15.999 > 91 97 O 0.16666666666667 0.67115126010562 0.42785338651633 15.999 > 91 98 O 0.50000000000000 0.67115126010562 0.42785338651633 15.999 > 91 99 O 0.83333333333333 0.67115126010562 0.42785338651633 15.999 > 91 100 O 0.16666666666667 0.00448459343895 0.92785338651633 15.999 > 91 101 O 0.50000000000000 0.00448459343895 0.92785338651633 15.999 > 91 102 O 0.83333333333333 0.00448459343895 0.92785338651633 15.999 > 91 103 O 0.16666666666667 0.33781792677228 0.92785338651633 15.999 > 91 104 O 0.50000000000000 0.33781792677228 0.92785338651633 15.999 > 91 105 O 0.83333333333333 0.33781792677228 0.92785338651633 15.999 > 91 106 O 0.16666666666667 0.67115126010562 0.92785338651633 15.999 > 91 107 O 0.50000000000000 0.67115126010562 0.92785338651633 15.999 > 91 108 O 0.83333333333333 0.67115126010562 0.92785338651633 15.999 > 91 109 Ga 0.16666666666667 0.07726017517797 0.25094674314286 69.723 > 109 110 Ga 0.50000000000000 0.07726017517797 0.25094674314286 69.723 > 109 111 Ga 0.83333333333333 0.07726017517797 0.25094674314286 69.723 > 109 112 Ga 0.16666666666667 0.41059350851130 0.25094674314286 69.723 > 109 113 Ga 0.50000000000000 0.41059350851130 0.25094674314286 69.723 > 109 114 Ga 0.83333333333333 0.41059350851130 0.25094674314286 69.723 > 109 115 Ga 0.16666666666667 0.74392684184463 0.25094674314286 69.723 > 109 116 Ga 0.50000000000000 0.74392684184463 0.25094674314286 69.723 > 109 117 Ga 0.83333333333333 0.74392684184463 0.25094674314286 69.723 > 109 118 Ga 0.16666666666667 0.07726017517797 0.75094674314286 69.723 > 109 119 Ga 0.50000000000000 0.07726017517797 0.75094674314286 69.723 > 109 120 Ga 0.83333333333333 0.07726017517797 0.75094674314286 69.723 > 109 121 Ga 0.16666666666667 0.41059350851130 0.75094674314286 69.723 > 109 122 Ga 0.50000000000000 0.41059350851130 0.75094674314286 69.723 > 109 123 Ga 0.83333333333333 0.41059350851130 0.75094674314286 69.723 > 109 124 Ga 0.16666666666667 0.74392684184463 0.75094674314286 69.723 > 109 125 Ga 0.50000000000000 0.74392684184463 0.75094674314286 69.723 > 109 126 Ga 0.83333333333333 0.74392684184463 0.75094674314286 69.723 > 109 127 Ga 0.00000000000000 0.25607315815537 0.00094674314286 69.723 > 127 128 Ga 0.33333333333333 0.25607315815537 0.00094674314286 69.723 > 127 129 Ga 0.66666666666667 0.25607315815537 0.00094674314286 69.723 > 127 130 Ga 0.00000000000000 0.58940649148870 0.00094674314286 69.723 > 127 131 Ga 0.33333333333333 0.58940649148870 0.00094674314286 69.723 > 127 132 Ga 0.66666666666667 0.58940649148870 0.00094674314286 69.723 > 127 133 Ga 0.00000000000000 0.92273982482203 0.00094674314286 69.723 > 127 134 Ga 0.33333333333333 0.92273982482203 0.00094674314286 69.723 > 127 135 Ga 0.66666666666667 0.92273982482203 0.00094674314286 69.723 > 127 136 Ga 0.00000000000000 0.25607315815537 0.50094674314286 69.723 > 127 137 Ga 0.33333333333333 0.25607315815537 0.50094674314286 69.723 > 127 138 Ga 0.66666666666667 0.25607315815537 0.50094674314286 69.723 > 127 139 Ga 0.00000000000000 0.58940649148870 0.50094674314286 69.723 > 127 140 Ga 0.33333333333333 0.58940649148870 0.50094674314286 69.723 > 127 141 Ga 0.66666666666667 0.58940649148870 0.50094674314286 69.723 > 127 142 Ga 0.00000000000000 0.92273982482203 0.50094674314286 69.723 > 127 143 Ga 0.33333333333333 0.92273982482203 0.50094674314286 69.723 > 127 144 Ga 0.66666666666667 0.92273982482203 0.50094674314286 69.723 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9190514 0.0000000 0.0000000 0.0000000 4.0565956 0.0000000 0.0000000 0.0000000 3.9784972 -------------------------- Born effective charges -------------------------- 1 H 0.2558101 0.0000000 0.0000000 0.0000000 1.6301316 0.9090051 0.0000000 0.7808334 0.8470819 2 H 0.2558101 0.0000000 0.0000000 0.0000000 1.6301316 -0.9090051 0.0000000 -0.7808334 0.8470819 3 O -1.6849853 0.0000000 0.0000000 0.0000000 -2.4410492 0.0504872 0.0000000 -0.0189054 -1.9866889 4 O -1.6849853 0.0000000 0.0000000 0.0000000 -2.4410492 -0.0504872 0.0000000 0.0189054 -1.9866889 5 O -1.9275494 0.0000000 0.0000000 0.0000000 -2.3282942 -0.0775640 0.0000000 -0.0927724 -2.1754767 6 O -1.9275494 0.0000000 0.0000000 0.0000000 -2.3282942 0.0775640 0.0000000 0.0927724 -2.1754767 7 Ga 3.3567245 0.0000000 0.0000000 0.0000000 3.1392118 -0.1750684 0.0000000 -0.1070661 3.3150837 8 Ga 3.3567245 0.0000000 0.0000000 0.0000000 3.1392118 0.1750684 0.0000000 0.1070661 3.3150837 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 ... [ 17 12 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.05, Number of G-points: 293, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/378) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 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 4.506 ( 0.000 0.000 -0.000) 0.000 5.283 ( 0.000 0.000 -0.000) 0.000 6.338 ( 0.000 0.000 -0.000) 0.000 8.853 ( 0.000 0.000 -0.000) 0.000 9.056 ( 0.000 0.000 0.000) 0.000 9.622 ( 0.000 0.000 0.000) 0.000 10.202 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 0.000) 0.000 12.231 ( 0.000 0.000 0.000) 0.000 13.957 ( 0.000 0.000 0.000) 0.000 14.532 ( 0.000 0.000 0.000) 0.000 15.242 ( 0.000 0.000 0.000) 0.000 15.732 ( 0.000 0.000 0.000) 0.000 17.440 ( 0.000 0.000 0.000) 0.000 19.722 ( 0.000 0.000 0.000) 0.000 36.265 ( 0.000 0.000 0.000) 0.000 37.139 ( 0.000 0.000 0.000) 0.000 39.968 ( 0.000 0.000 -0.000) 0.000 41.951 ( 0.000 0.000 -0.000) 0.000 59.136 ( 0.000 0.000 0.000) 0.000 60.942 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/378) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 37.964 0.000 0.000) 37.964 0.786 ( 39.388 0.000 0.000) 39.388 1.534 ( 76.457 0.000 0.000) 76.457 4.748 ( 23.365 0.000 0.000) 23.365 5.290 ( 0.827 0.000 0.000) 0.827 6.317 ( -2.051 0.000 0.000) 2.051 8.817 ( -3.042 0.000 0.000) 3.042 9.047 ( -0.427 0.000 0.000) 0.427 10.387 ( 17.726 0.000 0.000) 17.726 10.878 ( 15.234 0.000 0.000) 15.234 11.507 ( 2.422 0.000 0.000) 2.422 14.007 ( 4.523 0.000 0.000) 4.523 14.515 ( -1.270 0.000 0.000) 1.270 15.250 ( 0.647 0.000 0.000) 0.647 15.704 ( -2.594 0.000 0.000) 2.594 17.339 ( -0.455 0.000 0.000) 0.455 17.390 ( -4.964 0.000 0.000) 4.964 19.685 ( -3.755 0.000 0.000) 3.755 36.316 ( 5.105 0.000 0.000) 5.105 37.903 ( 1.919 0.000 0.000) 1.919 39.978 ( 1.010 0.000 0.000) 1.010 41.923 ( -2.762 0.000 0.000) 2.762 59.079 ( -5.625 0.000 0.000) 5.625 60.848 ( -9.360 0.000 0.000) 9.360 ======================= Grid point 2 (3/378) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 38.715 0.000 0.000) 38.715 1.546 ( 37.212 0.000 0.000) 37.212 3.010 ( 71.800 0.000 0.000) 71.800 5.328 ( 3.497 0.000 0.000) 3.497 5.361 ( 36.045 0.000 0.000) 36.045 6.268 ( -2.106 0.000 0.000) 2.106 8.762 ( -1.968 0.000 0.000) 1.968 9.063 ( 2.454 0.000 0.000) 2.454 10.855 ( 28.369 0.000 0.000) 28.369 11.220 ( 14.840 0.000 0.000) 14.840 11.637 ( 13.832 0.000 0.000) 13.832 14.082 ( 0.727 0.000 0.000) 0.727 14.529 ( 4.695 0.000 0.000) 4.695 15.251 ( -1.330 0.000 0.000) 1.330 15.652 ( -1.694 0.000 0.000) 1.694 17.246 ( -9.479 0.000 0.000) 9.479 17.325 ( -0.984 0.000 0.000) 0.984 19.575 ( -7.320 0.000 0.000) 7.320 36.463 ( 9.575 0.000 0.000) 9.575 37.957 ( 3.458 0.000 0.000) 3.458 40.007 ( 1.950 0.000 0.000) 1.950 41.842 ( -5.389 0.000 0.000) 5.389 58.920 ( -10.209 0.000 0.000) 10.209 60.580 ( -17.376 0.000 0.000) 17.376 ======================= Grid point 3 (4/378) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 33.834 0.000 0.000) 33.834 2.271 ( 38.284 0.000 0.000) 38.284 4.319 ( 57.085 0.000 0.000) 57.085 5.474 ( 14.230 0.000 0.000) 14.230 5.923 ( 8.667 0.000 0.000) 8.667 6.420 ( 27.936 0.000 0.000) 27.936 8.753 ( 1.370 0.000 0.000) 1.370 9.156 ( 7.101 0.000 0.000) 7.101 11.376 ( 3.160 0.000 0.000) 3.160 11.469 ( 32.673 0.000 0.000) 32.673 12.099 ( 29.594 0.000 0.000) 29.594 13.991 ( -9.223 0.000 0.000) 9.223 14.734 ( 15.045 0.000 0.000) 15.045 15.170 ( -6.863 0.000 0.000) 6.863 15.676 ( 4.400 0.000 0.000) 4.400 17.020 ( -13.188 0.000 0.000) 13.188 17.300 ( -1.543 0.000 0.000) 1.543 19.397 ( -10.540 0.000 0.000) 10.540 36.688 ( 12.898 0.000 0.000) 12.898 38.035 ( 4.287 0.000 0.000) 4.287 40.055 ( 2.792 0.000 0.000) 2.792 41.712 ( -7.702 0.000 0.000) 7.702 58.687 ( -12.948 0.000 0.000) 12.948 60.176 ( -22.992 0.000 0.000) 22.992 ======================= Grid point 4 (5/378) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 29.557 0.000 0.000) 29.557 3.009 ( 35.784 0.000 0.000) 35.784 5.049 ( 16.627 0.000 0.000) 16.627 5.867 ( -7.924 0.000 0.000) 7.924 6.093 ( 47.605 0.000 0.000) 47.605 7.159 ( 39.049 0.000 0.000) 39.049 8.828 ( 6.608 0.000 0.000) 6.608 9.344 ( 11.721 0.000 0.000) 11.721 11.406 ( 0.272 0.000 0.000) 0.272 12.118 ( 32.136 0.000 0.000) 32.136 12.711 ( 30.819 0.000 0.000) 30.819 13.749 ( -14.717 0.000 0.000) 14.717 15.004 ( -9.115 0.000 0.000) 9.115 15.080 ( 19.014 0.000 0.000) 19.014 15.816 ( 9.355 0.000 0.000) 9.355 16.730 ( -15.890 0.000 0.000) 15.890 17.266 ( -1.857 0.000 0.000) 1.857 19.160 ( -13.312 0.000 0.000) 13.312 36.964 ( 14.768 0.000 0.000) 14.768 38.121 ( 4.177 0.000 0.000) 4.177 40.118 ( 3.580 0.000 0.000) 3.580 41.541 ( -9.487 0.000 0.000) 9.487 58.422 ( -13.415 0.000 0.000) 13.415 59.689 ( -25.630 0.000 0.000) 25.630 ======================= Grid point 5 (6/378) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( 24.984 0.000 0.000) 24.984 3.674 ( 31.034 0.000 0.000) 31.034 5.221 ( 4.225 0.000 0.000) 4.225 5.678 ( -10.763 0.000 0.000) 10.763 7.093 ( 49.225 0.000 0.000) 49.225 7.855 ( 30.055 0.000 0.000) 30.055 9.032 ( 14.231 0.000 0.000) 14.231 9.610 ( 14.732 0.000 0.000) 14.732 11.395 ( -1.154 0.000 0.000) 1.154 12.719 ( 28.025 0.000 0.000) 28.025 13.283 ( 26.320 0.000 0.000) 26.320 13.420 ( -18.238 0.000 0.000) 18.238 14.839 ( -6.897 0.000 0.000) 6.897 15.465 ( 19.446 0.000 0.000) 19.446 16.030 ( 11.822 0.000 0.000) 11.822 16.397 ( -17.547 0.000 0.000) 17.547 17.232 ( -1.275 0.000 0.000) 1.275 18.873 ( -15.553 0.000 0.000) 15.553 37.263 ( 15.098 0.000 0.000) 15.098 38.194 ( 3.033 0.000 0.000) 3.033 40.197 ( 4.409 0.000 0.000) 4.409 41.341 ( -10.548 0.000 0.000) 10.548 58.171 ( -11.583 0.000 0.000) 11.583 59.181 ( -25.228 0.000 0.000) 25.228 ======================= Grid point 6 (7/378) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( 20.822 0.000 0.000) 20.822 4.226 ( 24.416 0.000 0.000) 24.416 5.263 ( 0.298 0.000 0.000) 0.298 5.449 ( -12.181 0.000 0.000) 12.181 7.973 ( 38.779 0.000 0.000) 38.779 8.342 ( 19.870 0.000 0.000) 19.870 9.374 ( 18.962 0.000 0.000) 18.962 9.900 ( 13.459 0.000 0.000) 13.459 11.377 ( 0.093 0.000 0.000) 0.093 13.006 ( -18.821 0.000 0.000) 18.821 13.243 ( 20.202 0.000 0.000) 20.202 13.729 ( 18.091 0.000 0.000) 18.091 14.755 ( -0.978 0.000 0.000) 0.978 15.834 ( 17.309 0.000 0.000) 17.309 16.042 ( -18.062 0.000 0.000) 18.062 16.264 ( 11.082 0.000 0.000) 11.082 17.229 ( 1.486 0.000 0.000) 1.486 18.548 ( -17.145 0.000 0.000) 17.145 37.553 ( 14.006 0.000 0.000) 14.006 38.234 ( 0.914 0.000 0.000) 0.914 40.293 ( 5.387 0.000 0.000) 5.387 41.128 ( -10.792 0.000 0.000) 10.792 57.976 ( -7.728 0.000 0.000) 7.728 58.707 ( -22.162 0.000 0.000) 22.162 ======================= Grid point 7 (8/378) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.252 ( 17.539 0.000 0.000) 17.539 4.633 ( 16.352 0.000 0.000) 16.352 5.203 ( -12.222 0.000 0.000) 12.222 5.238 ( -2.826 0.000 0.000) 2.826 8.602 ( 24.153 0.000 0.000) 24.153 8.677 ( 14.364 0.000 0.000) 14.364 9.726 ( 15.482 0.000 0.000) 15.482 10.094 ( 5.086 0.000 0.000) 5.086 11.446 ( 8.175 0.000 0.000) 8.175 12.576 ( -22.793 0.000 0.000) 22.793 13.622 ( 16.473 0.000 0.000) 16.473 13.981 ( 7.103 0.000 0.000) 7.103 14.817 ( 7.286 0.000 0.000) 7.286 15.679 ( -18.000 0.000 0.000) 18.000 16.146 ( 13.602 0.000 0.000) 13.602 16.437 ( 5.601 0.000 0.000) 5.601 17.315 ( 7.676 0.000 0.000) 7.676 18.200 ( -17.854 0.000 0.000) 17.854 37.810 ( 11.758 0.000 0.000) 11.758 38.225 ( -1.976 0.000 0.000) 1.976 40.411 ( 6.567 0.000 0.000) 6.567 40.918 ( -10.283 0.000 0.000) 10.283 57.875 ( -2.315 0.000 0.000) 2.315 58.316 ( -17.089 0.000 0.000) 17.089 ======================= Grid point 8 (9/378) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.572 ( 14.822 0.000 0.000) 14.822 4.801 ( -4.144 0.000 0.000) 4.144 5.043 ( 1.130 0.000 0.000) 1.130 5.152 ( -5.806 0.000 0.000) 5.806 8.900 ( 7.185 0.000 0.000) 7.185 8.912 ( 7.041 0.000 0.000) 7.041 9.969 ( 9.168 0.000 0.000) 9.168 10.098 ( -3.820 0.000 0.000) 3.820 11.713 ( 18.074 0.000 0.000) 18.074 12.123 ( -22.440 0.000 0.000) 22.440 13.887 ( 10.195 0.000 0.000) 10.195 14.019 ( -2.786 0.000 0.000) 2.786 15.030 ( 13.586 0.000 0.000) 13.586 15.333 ( -16.689 0.000 0.000) 16.689 16.366 ( 8.387 0.000 0.000) 8.387 16.471 ( -2.009 0.000 0.000) 2.009 17.535 ( 14.086 0.000 0.000) 14.086 17.850 ( -17.183 0.000 0.000) 17.183 38.014 ( 8.722 0.000 0.000) 8.722 38.153 ( -5.320 0.000 0.000) 5.320 40.555 ( 7.903 0.000 0.000) 7.903 40.724 ( -9.227 0.000 0.000) 9.227 57.891 ( 4.080 0.000 0.000) 4.080 58.039 ( -10.795 0.000 0.000) 10.795 ======================= Grid point 17 (10/378) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 0.000 38.654 0.000) 38.654 0.988 ( 0.000 50.003 0.000) 50.003 1.390 ( 0.000 70.777 0.000) 70.777 4.493 ( 0.000 -1.411 0.000) 1.411 5.438 ( 0.000 15.018 0.000) 15.018 6.314 ( 0.000 -2.659 0.000) 2.659 9.104 ( 0.000 4.763 0.000) 4.763 9.570 ( 0.000 -4.812 0.000) 4.812 10.234 ( 0.000 2.815 0.000) 2.815 11.378 ( 0.000 -10.951 0.000) 10.951 12.252 ( 0.000 2.092 0.000) 2.092 12.819 ( 0.000 -13.765 0.000) 13.765 13.934 ( 0.000 -2.393 0.000) 2.393 15.131 ( 0.000 -12.176 0.000) 12.176 15.630 ( 0.000 -8.532 0.000) 8.532 16.887 ( 0.000 9.307 0.000) 9.307 17.799 ( 0.000 11.554 0.000) 11.554 20.716 ( 0.000 -4.483 0.000) 4.483 36.282 ( 0.000 1.759 0.000) 1.759 37.133 ( 0.000 -0.622 0.000) 0.622 41.203 ( 0.000 0.342 0.000) 0.342 41.938 ( 0.000 -1.294 0.000) 1.294 59.289 ( 0.000 15.839 0.000) 15.839 69.834 ( 0.000 -19.778 0.000) 19.778 ======================= Grid point 18 (11/378) ======================= q-point: ( 0.06 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 25.772 33.192 0.000) 42.023 1.248 ( 24.766 38.026 0.000) 45.380 1.963 ( 54.766 42.138 0.000) 69.101 4.727 ( 22.431 -2.231 0.000) 22.542 5.441 ( 0.739 14.795 0.000) 14.814 6.292 ( -2.024 -2.388 0.000) 3.131 9.058 ( -2.958 4.797 0.000) 5.635 9.515 ( -8.677 20.387 0.000) 22.156 10.367 ( 15.172 0.948 0.000) 15.201 11.222 ( -16.948 8.807 0.000) 19.100 11.520 ( -3.190 11.902 0.000) 12.322 13.638 ( 23.076 -43.344 0.000) 49.104 14.022 ( 9.401 -6.647 0.000) 11.514 15.229 ( 4.793 -13.044 0.000) 13.897 15.686 ( 5.285 -4.926 0.000) 7.225 16.900 ( 0.776 -2.119 0.000) 2.257 17.721 ( -6.940 13.624 0.000) 15.289 20.262 ( -28.944 20.073 0.000) 35.224 36.333 ( 5.100 1.753 0.000) 5.393 37.391 ( 18.026 -16.784 0.000) 24.630 40.786 ( -26.962 28.319 0.000) 39.101 41.910 ( -2.811 -1.369 0.000) 3.127 59.226 ( -6.185 15.543 0.000) 16.729 65.279 (-238.070 215.548 0.000) 321.151 ======================= Grid point 19 (12/378) ======================= q-point: ( 0.12 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 29.660 21.837 0.000) 36.832 1.820 ( 31.248 26.237 0.000) 40.802 3.206 ( 65.268 19.642 0.000) 68.160 5.271 ( 25.352 -2.711 0.000) 25.496 5.521 ( 12.452 12.446 0.000) 17.606 6.248 ( -1.457 -1.629 0.000) 2.186 9.024 ( -0.540 8.956 0.000) 8.973 9.309 ( -8.428 29.744 0.000) 30.915 10.820 ( 28.163 -2.780 0.000) 28.300 11.151 ( 4.228 -8.268 0.000) 9.286 11.675 ( 16.046 4.897 0.000) 16.776 13.828 ( 2.187 -26.274 0.000) 26.365 14.254 ( 12.551 -14.440 0.000) 19.132 15.245 ( -2.112 -7.359 0.000) 7.656 15.795 ( 5.020 7.258 0.000) 8.825 16.897 ( -1.396 -14.111 0.000) 14.180 17.558 ( -8.959 13.386 0.000) 16.107 19.812 ( -17.686 15.652 0.000) 23.617 36.480 ( 9.556 1.731 0.000) 9.712 37.691 ( 12.050 -17.301 0.000) 21.083 40.405 ( -11.827 26.969 0.000) 29.448 41.828 ( -5.404 -1.453 0.000) 5.596 59.054 ( -10.847 14.533 0.000) 18.135 62.280 ( -90.850 135.650 0.000) 163.262 ======================= Grid point 20 (13/378) ======================= q-point: ( 0.18 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 30.738 11.468 0.000) 32.808 2.455 ( 32.488 16.850 0.000) 36.597 4.412 ( 52.288 9.155 0.000) 53.083 5.560 ( 15.645 8.481 0.000) 17.796 5.909 ( 7.553 -1.743 0.000) 7.752 6.419 ( 27.689 -0.077 0.000) 27.689 9.012 ( -1.006 19.099 0.000) 19.126 9.252 ( 3.010 12.819 0.000) 13.167 11.178 ( 3.334 -17.313 0.000) 17.631 11.483 ( 32.129 -0.573 0.000) 32.134 12.114 ( 26.473 1.266 0.000) 26.504 13.806 ( -3.812 -16.622 0.000) 17.053 14.498 ( 11.215 -18.870 0.000) 21.951 15.201 ( -0.777 1.660 0.000) 1.833 15.889 ( 4.937 14.050 0.000) 14.892 16.832 ( -5.608 -14.695 0.000) 15.729 17.383 ( -8.222 9.076 0.000) 12.247 19.501 ( -14.677 8.047 0.000) 16.738 36.704 ( 12.862 1.677 0.000) 12.971 37.889 ( 8.453 -11.793 0.000) 14.509 40.264 ( -3.549 17.381 0.000) 17.739 41.697 ( -7.699 -1.479 0.000) 7.840 58.810 ( -13.435 13.263 0.000) 18.879 60.975 ( -49.744 71.999 0.000) 87.512 ======================= Grid point 21 (14/378) ======================= q-point: ( 0.24 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 27.983 5.830 0.000) 28.584 3.093 ( 31.579 8.763 0.000) 32.772 5.070 ( 14.902 2.211 0.000) 15.065 5.852 ( -6.805 -1.470 0.000) 6.962 6.188 ( 45.233 8.939 0.000) 46.108 7.141 ( 38.399 -2.445 0.000) 38.477 9.014 ( 2.102 17.355 0.000) 17.482 9.395 ( 10.418 5.226 0.000) 11.655 11.207 ( 0.430 -18.539 0.000) 18.544 12.138 ( 32.721 1.162 0.000) 32.741 12.653 ( 26.205 -5.474 0.000) 26.771 13.691 ( -7.262 -5.714 0.000) 9.240 14.646 ( 3.035 -22.434 0.000) 22.638 15.280 ( 9.609 9.847 0.000) 13.758 16.003 ( 6.552 13.195 0.000) 14.732 16.668 ( -10.768 -6.502 0.000) 12.579 17.250 ( -5.025 1.574 0.000) 5.266 19.209 ( -15.145 3.912 0.000) 15.642 36.980 ( 14.707 1.581 0.000) 14.792 38.036 ( 6.438 -7.516 0.000) 9.896 40.236 ( 0.270 10.666 0.000) 10.670 41.526 ( -9.460 -1.456 0.000) 9.571 58.537 ( -13.704 12.260 0.000) 18.387 60.133 ( -37.185 41.941 0.000) 56.052 ======================= Grid point 22 (15/378) ======================= q-point: ( 0.29 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 23.988 3.089 0.000) 24.186 3.690 ( 28.237 2.074 0.000) 28.313 5.216 ( 2.941 -0.391 0.000) 2.967 5.678 ( -10.083 -0.204 0.000) 10.085 7.136 ( 46.491 4.096 0.000) 46.671 7.834 ( 30.412 -3.154 0.000) 30.575 9.120 ( 9.093 9.182 0.000) 12.923 9.637 ( 13.364 2.210 0.000) 13.545 11.208 ( 0.067 -17.055 0.000) 17.056 12.750 ( 28.379 2.342 0.000) 28.476 13.046 ( 8.784 -14.877 0.000) 17.277 13.592 ( 1.650 7.790 0.000) 7.963 14.657 ( -0.378 -15.049 0.000) 15.054 15.549 ( 16.091 7.667 0.000) 17.824 16.128 ( 4.118 4.912 0.000) 6.410 16.438 ( -10.272 5.723 0.000) 11.759 17.184 ( -1.617 -3.066 0.000) 3.466 18.897 ( -16.400 1.871 0.000) 16.507 37.277 ( 15.006 1.428 0.000) 15.074 38.144 ( 4.402 -4.624 0.000) 6.384 40.264 ( 2.477 6.388 0.000) 6.852 41.328 ( -10.482 -1.367 0.000) 10.571 58.283 ( -11.664 11.697 0.000) 16.519 59.464 ( -30.760 27.383 0.000) 41.182 ======================= Grid point 23 (16/378) ======================= q-point: ( 0.35 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.889 ( 20.210 1.509 0.000) 20.266 4.198 ( 22.805 -2.453 0.000) 22.937 5.229 ( -1.429 -3.005 0.000) 3.327 5.464 ( -11.234 0.947 0.000) 11.274 7.954 ( 34.969 -1.777 0.000) 35.014 8.330 ( 20.215 -2.541 0.000) 20.374 9.370 ( 15.261 0.384 0.000) 15.266 9.891 ( 11.166 -1.901 0.000) 11.327 11.233 ( 3.380 -12.211 0.000) 12.670 12.917 ( -14.734 -8.273 0.000) 16.898 13.278 ( 22.547 3.234 0.000) 22.777 13.796 ( 13.697 4.601 0.000) 14.449 14.675 ( 2.883 -6.982 0.000) 7.553 15.876 ( 16.280 4.659 0.000) 16.934 16.008 ( -14.364 -1.786 0.000) 14.475 16.414 ( 5.608 12.052 0.000) 13.293 17.192 ( 2.699 -2.905 0.000) 3.965 18.560 ( -17.504 0.947 0.000) 17.529 37.565 ( 13.870 1.199 0.000) 13.921 38.207 ( 1.806 -2.648 0.000) 3.205 40.331 ( 4.174 3.600 0.000) 5.512 41.117 ( -10.669 -1.181 0.000) 10.734 58.089 ( -7.604 11.591 0.000) 13.862 58.911 ( -24.981 20.005 0.000) 32.004 ======================= Grid point 24 (17/378) ======================= q-point: ( 0.41 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.258 ( 17.162 0.567 0.000) 17.172 4.585 ( 15.959 -4.708 0.000) 16.639 5.149 ( -7.440 -4.135 0.000) 8.512 5.257 ( -8.550 0.401 0.000) 8.560 8.492 ( 19.449 -8.308 0.000) 21.149 8.669 ( 14.072 -3.857 0.000) 14.591 9.674 ( 14.247 -4.756 0.000) 15.020 10.040 ( 3.414 -6.472 0.000) 7.317 11.381 ( 12.086 -4.764 0.000) 12.991 12.552 ( -20.794 -2.384 0.000) 20.931 13.668 ( 16.508 3.938 0.000) 16.971 14.008 ( 6.588 1.623 0.000) 6.785 14.791 ( 9.146 -1.958 0.000) 9.353 15.687 ( -17.088 1.371 0.000) 17.143 16.174 ( 13.416 3.198 0.000) 13.791 16.512 ( 2.896 6.425 0.000) 7.047 17.306 ( 9.000 -0.502 0.000) 9.014 18.208 ( -17.930 0.667 0.000) 17.942 37.818 ( 11.559 0.865 0.000) 11.592 38.212 ( -1.372 -1.269 0.000) 1.869 40.429 ( 5.781 1.742 0.000) 6.038 40.910 ( -10.076 -0.853 0.000) 10.112 57.992 ( -1.991 11.914 0.000) 12.079 58.478 ( -18.611 16.111 0.000) 24.616 ======================= Grid point 25 (18/378) ======================= q-point: ( 0.47 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.571 ( 14.377 -0.179 0.000) 14.378 4.775 ( -1.333 -2.920 0.000) 3.210 5.008 ( -0.639 -3.384 0.000) 3.444 5.115 ( -6.951 -3.738 0.000) 7.893 8.767 ( 9.067 -10.832 0.000) 14.125 8.841 ( 2.294 -8.840 0.000) 9.132 9.908 ( 9.107 -6.421 0.000) 11.143 10.033 ( -3.593 -7.323 0.000) 8.157 11.702 ( 19.568 -0.250 0.000) 19.570 12.122 ( -22.051 0.142 0.000) 22.051 13.928 ( 9.684 3.262 0.000) 10.218 14.048 ( -2.311 2.042 0.000) 3.084 15.031 ( 14.568 0.683 0.000) 14.584 15.347 ( -16.904 1.951 0.000) 17.017 16.395 ( 8.654 2.945 0.000) 9.142 16.511 ( -3.006 3.646 0.000) 4.726 17.541 ( 14.393 0.769 0.000) 14.414 17.858 ( -17.138 0.767 0.000) 17.155 38.017 ( 8.435 0.386 0.000) 8.444 38.150 ( -4.904 -0.298 0.000) 4.913 40.560 ( 7.390 0.499 0.000) 7.407 40.721 ( -8.897 -0.323 0.000) 8.903 58.017 ( 4.628 12.663 0.000) 13.482 58.178 ( -11.681 13.943 0.000) 18.190 ======================= Grid point 34 (19/378) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 36.733 0.000) 36.733 1.910 ( 0.000 44.899 0.000) 44.899 2.729 ( 0.000 66.732 0.000) 66.732 4.450 ( 0.000 -2.985 0.000) 2.985 5.768 ( 0.000 13.864 0.000) 13.864 6.297 ( 0.000 4.790 0.000) 4.790 9.226 ( 0.000 7.102 0.000) 7.102 9.459 ( 0.000 -6.126 0.000) 6.126 10.290 ( 0.000 2.527 0.000) 2.527 11.086 ( 0.000 -18.070 0.000) 18.070 12.310 ( 0.000 3.848 0.000) 3.848 12.470 ( 0.000 -21.151 0.000) 21.151 13.867 ( 0.000 -4.334 0.000) 4.334 14.785 ( 0.000 -21.828 0.000) 21.828 15.455 ( 0.000 -9.505 0.000) 9.505 17.125 ( 0.000 14.377 0.000) 14.377 18.055 ( 0.000 13.449 0.000) 13.449 20.595 ( 0.000 -7.621 0.000) 7.621 36.331 ( 0.000 3.221 0.000) 3.221 37.115 ( 0.000 -1.261 0.000) 1.261 41.213 ( 0.000 0.742 0.000) 0.742 41.902 ( 0.000 -2.334 0.000) 2.334 59.749 ( 0.000 31.594 0.000) 31.594 69.268 ( 0.000 -38.414 0.000) 38.414 ======================= Grid point 35 (20/378) ======================= q-point: ( 0.06 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 26.554 32.513 0.000) 41.979 2.029 ( 12.623 40.587 0.000) 42.505 2.965 ( 25.293 56.318 0.000) 61.737 4.671 ( 21.248 -3.451 0.000) 21.527 5.760 ( -0.532 13.172 0.000) 13.183 6.280 ( -1.504 4.881 0.000) 5.108 9.166 ( -2.652 5.814 0.000) 6.390 9.632 ( 11.853 -1.376 0.000) 11.933 10.405 ( 11.790 1.428 0.000) 11.876 11.049 ( -4.730 -15.448 0.000) 16.156 11.846 ( -16.654 11.732 0.000) 20.371 12.955 ( 22.046 -27.273 0.000) 35.069 13.912 ( 4.341 -6.009 0.000) 7.413 14.866 ( 7.018 -21.568 0.000) 22.681 15.514 ( 5.932 -11.434 0.000) 12.881 17.070 ( -5.255 14.549 0.000) 15.469 17.994 ( -5.888 13.950 0.000) 15.142 20.394 ( -17.785 -1.494 0.000) 17.848 36.382 ( 5.081 3.208 0.000) 6.009 37.219 ( 9.464 -4.718 0.000) 10.575 41.071 ( -12.511 7.132 0.000) 14.401 41.872 ( -2.948 -2.398 0.000) 3.800 59.678 ( -7.005 31.031 0.000) 31.812 67.428 (-150.970 36.035 0.000) 155.211 ======================= Grid point 36 (21/378) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 19.077 30.123 0.000) 35.656 2.426 ( 23.311 33.737 0.000) 41.007 3.722 ( 47.397 31.753 0.000) 57.051 5.216 ( 30.931 -3.237 0.000) 31.100 5.769 ( 2.287 9.533 0.000) 9.803 6.257 ( 0.290 5.458 0.000) 5.466 9.159 ( 1.974 6.396 0.000) 6.694 9.767 ( 0.064 13.045 0.000) 13.045 10.725 ( 13.701 -10.498 0.000) 17.261 10.972 ( 6.269 -4.634 0.000) 7.796 11.803 ( 9.938 6.183 0.000) 11.704 13.275 ( 11.205 -26.704 0.000) 28.960 14.025 ( 6.518 -10.516 0.000) 12.372 15.018 ( 7.986 -14.192 0.000) 16.285 15.679 ( 9.999 -16.107 0.000) 18.958 16.936 ( -7.797 14.032 0.000) 16.052 17.834 ( -9.900 14.439 0.000) 17.507 20.000 ( -20.229 3.613 0.000) 20.550 36.528 ( 9.506 3.165 0.000) 10.019 37.442 ( 12.142 -8.758 0.000) 14.971 40.803 ( -12.984 14.135 0.000) 19.193 41.788 ( -5.512 -2.574 0.000) 6.083 59.482 ( -12.398 29.439 0.000) 31.943 64.526 (-127.821 82.482 0.000) 152.123 ======================= Grid point 37 (22/378) ======================= q-point: ( 0.18 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 21.648 20.602 0.000) 29.885 2.885 ( 23.208 26.504 0.000) 35.229 4.643 ( 39.895 13.536 0.000) 42.128 5.748 ( 21.068 6.468 0.000) 22.038 5.868 ( 6.198 0.468 0.000) 6.216 6.428 ( 22.191 1.810 0.000) 22.265 9.238 ( 5.568 6.930 0.000) 8.890 9.676 ( -7.027 22.955 0.000) 24.006 10.776 ( -0.161 -21.921 0.000) 21.922 11.465 ( 33.103 -0.506 0.000) 33.107 12.118 ( 19.530 -2.136 0.000) 19.646 13.439 ( 6.116 -19.269 0.000) 20.217 14.153 ( 6.202 -14.732 0.000) 15.984 15.192 ( 10.010 -2.937 0.000) 10.432 15.878 ( 9.468 -17.048 0.000) 19.501 16.782 ( -7.277 12.216 0.000) 14.219 17.617 ( -11.661 13.874 0.000) 18.124 19.618 ( -18.327 3.078 0.000) 18.583 36.751 ( 12.761 3.070 0.000) 13.125 37.677 ( 11.217 -9.240 0.000) 14.533 40.588 ( -8.494 14.492 0.000) 16.797 41.656 ( -7.734 -2.704 0.000) 8.193 59.204 ( -15.181 27.183 0.000) 31.135 62.461 ( -83.440 70.712 0.000) 109.373 ======================= Grid point 38 (23/378) ======================= q-point: ( 0.24 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 22.134 11.911 0.000) 25.135 3.343 ( 22.744 16.657 0.000) 28.191 5.129 ( 10.514 3.434 0.000) 11.060 5.813 ( -5.494 -2.214 0.000) 5.924 6.400 ( 40.428 11.841 0.000) 42.127 7.047 ( 34.863 -7.252 0.000) 35.609 9.347 ( 3.678 10.757 0.000) 11.368 9.571 ( -1.280 14.912 0.000) 14.967 10.794 ( 2.071 -20.851 0.000) 20.954 12.140 ( 33.866 -1.033 0.000) 33.882 12.502 ( 17.509 -10.825 0.000) 20.585 13.541 ( 4.772 -9.050 0.000) 10.231 14.271 ( 5.867 -14.278 0.000) 15.436 15.420 ( 12.874 3.879 0.000) 13.446 16.038 ( 6.309 -13.342 0.000) 14.759 16.662 ( -4.570 10.705 0.000) 11.640 17.389 ( -10.781 11.868 0.000) 16.034 19.266 ( -17.435 1.351 0.000) 17.487 37.024 ( 14.536 2.896 0.000) 14.821 37.880 ( 9.264 -7.681 0.000) 12.034 40.464 ( -4.272 11.599 0.000) 12.361 41.485 ( -9.404 -2.721 0.000) 9.789 58.900 ( -15.125 24.866 0.000) 29.105 61.095 ( -57.035 51.533 0.000) 76.868 ======================= Grid point 39 (24/378) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.536 ( 20.726 5.612 0.000) 21.473 3.776 ( 20.766 7.168 0.000) 21.968 5.208 ( -0.229 -0.669 0.000) 0.707 5.665 ( -9.002 -1.003 0.000) 9.057 7.225 ( 39.746 4.225 0.000) 39.970 7.698 ( 29.578 -11.086 0.000) 31.587 9.362 ( 0.215 13.715 0.000) 13.717 9.651 ( 6.845 -2.008 0.000) 7.134 10.868 ( 5.820 -14.155 0.000) 15.305 12.716 ( 11.824 -12.981 0.000) 17.559 12.811 ( 24.493 -3.425 0.000) 24.731 13.655 ( 7.297 -1.083 0.000) 7.377 14.397 ( 7.104 -9.334 0.000) 11.730 15.689 ( 13.723 4.338 0.000) 14.392 16.111 ( 0.687 -5.230 0.000) 5.275 16.608 ( -0.900 9.850 0.000) 9.891 17.217 ( -5.782 8.061 0.000) 9.920 18.921 ( -17.517 0.225 0.000) 17.519 37.316 ( 14.740 2.611 0.000) 14.970 38.040 ( 6.743 -5.571 0.000) 8.747 40.412 ( -1.041 8.138 0.000) 8.205 41.289 ( -10.302 -2.585 0.000) 10.622 58.622 ( -12.510 23.019 0.000) 26.199 60.130 ( -41.626 38.048 0.000) 56.395 ======================= Grid point 40 (25/378) ======================= q-point: ( 0.35 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( 18.510 1.986 0.000) 18.616 4.157 ( 17.604 -0.895 0.000) 17.627 5.161 ( -4.050 -3.852 0.000) 5.590 5.466 ( -10.951 -0.981 0.000) 10.995 7.904 ( 27.791 -3.636 0.000) 28.027 8.193 ( 20.230 -12.095 0.000) 23.570 9.417 ( 5.695 4.555 0.000) 7.293 9.768 ( 4.228 -11.779 0.000) 12.515 11.043 ( 12.209 -4.373 0.000) 12.968 12.719 ( -6.883 -11.732 0.000) 13.602 13.334 ( 23.961 1.518 0.000) 24.009 13.825 ( 9.174 -2.451 0.000) 9.496 14.559 ( 9.496 -3.076 0.000) 9.981 15.902 ( 2.726 -3.217 0.000) 4.217 16.099 ( 2.979 11.416 0.000) 11.798 16.613 ( 0.897 6.451 0.000) 6.513 17.187 ( 3.027 4.489 0.000) 5.414 18.571 ( -17.822 -0.105 0.000) 17.823 37.598 ( 13.479 2.183 0.000) 13.655 38.144 ( 3.639 -3.541 0.000) 5.077 40.418 ( 1.572 5.057 0.000) 5.296 41.083 ( -10.317 -2.244 0.000) 10.559 58.418 ( -7.829 21.906 0.000) 23.263 59.416 ( -30.838 30.076 0.000) 43.076 ======================= Grid point 41 (26/378) ======================= q-point: ( 0.41 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.269 ( 16.236 0.337 0.000) 16.240 4.469 ( 13.726 -6.460 0.000) 15.170 5.056 ( -6.470 -5.384 0.000) 8.418 5.238 ( -11.854 -2.481 0.000) 12.110 8.316 ( 14.592 -9.739 0.000) 17.543 8.500 ( 10.531 -13.236 0.000) 16.914 9.569 ( 8.658 -5.345 0.000) 10.176 9.815 ( 0.819 -16.375 0.000) 16.396 11.348 ( 18.089 2.458 0.000) 18.256 12.492 ( -15.255 -3.648 0.000) 15.685 13.731 ( 15.806 1.377 0.000) 15.866 13.984 ( 6.027 -5.161 0.000) 7.935 14.783 ( 13.364 2.309 0.000) 13.562 15.745 ( -13.733 4.167 0.000) 14.351 16.285 ( 11.222 8.699 0.000) 14.199 16.624 ( -0.164 4.025 0.000) 4.028 17.324 ( 10.117 3.006 0.000) 10.554 18.218 ( -17.704 0.212 0.000) 17.706 37.842 ( 11.005 1.571 0.000) 11.117 38.181 ( 0.027 -1.796 0.000) 1.797 40.473 ( 3.902 2.577 0.000) 4.676 40.886 ( -9.491 -1.636 0.000) 9.631 58.322 ( -1.621 21.575 0.000) 21.636 58.897 ( -21.802 25.647 0.000) 33.661 ======================= Grid point 42 (27/378) ======================= q-point: ( 0.47 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.563 ( 12.871 -0.828 0.000) 12.897 4.679 ( 5.128 -7.009 0.000) 8.684 4.926 ( -4.313 -4.976 0.000) 6.585 5.013 ( -10.036 -6.348 0.000) 11.875 8.525 ( 7.234 -13.347 0.000) 15.181 8.602 ( 0.042 -14.756 0.000) 14.756 9.723 ( 6.217 -12.010 0.000) 13.524 9.804 ( -2.099 -15.685 0.000) 15.825 11.737 ( 20.602 4.122 0.000) 21.010 12.141 ( -19.608 1.890 0.000) 19.699 13.962 ( 7.698 -1.001 0.000) 7.763 14.042 ( -0.462 -3.893 0.000) 3.921 15.087 ( 16.948 5.792 0.000) 17.911 15.432 ( -17.206 6.885 0.000) 18.532 16.479 ( 7.919 5.842 0.000) 9.841 16.592 ( -3.457 4.316 0.000) 5.530 17.568 ( 14.218 1.997 0.000) 14.357 17.876 ( -16.620 0.990 0.000) 16.650 38.028 ( 7.665 0.733 0.000) 7.700 38.143 ( -3.856 -0.378 0.000) 3.875 40.572 ( 6.068 0.688 0.000) 6.107 40.712 ( -7.996 -0.686 0.000) 8.026 58.360 ( 5.606 22.000 0.000) 22.703 58.548 ( -13.469 23.241 0.000) 26.862 ======================= Grid point 51 (28/378) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 33.277 0.000) 33.277 2.721 ( 0.000 38.797 0.000) 38.797 3.939 ( 0.000 56.668 0.000) 56.668 4.375 ( 0.000 -4.917 0.000) 4.917 5.813 ( 0.000 -5.873 0.000) 5.873 6.619 ( 0.000 24.506 0.000) 24.506 9.337 ( 0.000 2.845 0.000) 2.845 9.348 ( 0.000 -5.124 0.000) 5.124 10.323 ( 0.000 0.760 0.000) 0.760 10.746 ( 0.000 -14.813 0.000) 14.813 12.029 ( 0.000 -23.736 0.000) 23.736 12.396 ( 0.000 4.862 0.000) 4.862 13.771 ( 0.000 -5.388 0.000) 5.388 14.355 ( 0.000 -21.274 0.000) 21.274 15.253 ( 0.000 -11.392 0.000) 11.392 17.411 ( 0.000 14.456 0.000) 14.456 18.287 ( 0.000 10.033 0.000) 10.033 20.435 ( 0.000 -8.496 0.000) 8.496 36.403 ( 0.000 4.107 0.000) 4.107 37.085 ( 0.000 -1.856 0.000) 1.856 41.231 ( 0.000 1.147 0.000) 1.147 41.851 ( 0.000 -2.899 0.000) 2.899 60.509 ( 0.000 46.661 0.000) 46.661 68.362 ( 0.000 -54.529 0.000) 54.529 ======================= Grid point 52 (29/378) ======================= q-point: ( 0.06 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 24.675 30.822 0.000) 39.482 2.781 ( 6.531 36.560 0.000) 37.139 4.021 ( 9.348 50.078 0.000) 50.943 4.594 ( 20.975 -4.482 0.000) 21.449 5.805 ( -0.567 -5.254 0.000) 5.284 6.589 ( -2.838 23.323 0.000) 23.495 9.244 ( -2.014 1.248 0.000) 2.369 9.573 ( 14.179 -4.334 0.000) 14.826 10.389 ( 6.025 -2.703 0.000) 6.603 10.786 ( 4.425 -9.360 0.000) 10.354 11.876 ( -8.740 -9.878 0.000) 13.190 12.599 ( 14.536 -8.041 0.000) 16.612 13.791 ( 2.009 -6.201 0.000) 6.519 14.457 ( 10.017 -19.714 0.000) 22.113 15.272 ( 1.990 -13.133 0.000) 13.283 17.368 ( -4.256 15.061 0.000) 15.651 18.235 ( -5.071 10.532 0.000) 11.689 20.305 ( -12.359 -6.402 0.000) 13.919 36.454 ( 5.053 4.094 0.000) 6.503 37.150 ( 6.315 -2.899 0.000) 6.949 41.163 ( -6.548 3.245 0.000) 7.308 41.820 ( -3.096 -2.975 0.000) 4.294 60.423 ( -8.504 45.624 0.000) 46.410 67.429 ( -85.486 -26.039 0.000) 89.364 ======================= Grid point 53 (30/378) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 12.813 30.410 0.000) 33.000 3.069 ( 21.824 31.951 0.000) 38.692 4.355 ( 24.505 31.144 0.000) 39.628 5.139 ( 32.040 -4.862 0.000) 32.407 5.805 ( 1.314 -3.217 0.000) 3.475 6.524 ( -2.884 19.556 0.000) 19.768 9.244 ( 1.590 0.854 0.000) 1.805 9.842 ( 11.249 -3.409 0.000) 11.754 10.483 ( 0.994 -8.869 0.000) 8.924 10.981 ( 17.538 2.236 0.000) 17.680 11.811 ( 3.088 -7.610 0.000) 8.213 12.883 ( 13.730 -12.011 0.000) 18.242 13.853 ( 4.243 -6.712 0.000) 7.941 14.729 ( 16.659 -15.241 0.000) 22.579 15.335 ( 4.535 -17.547 0.000) 18.123 17.252 ( -7.136 16.317 0.000) 17.809 18.092 ( -9.158 11.731 0.000) 14.882 19.992 ( -18.065 -3.277 0.000) 18.360 36.599 ( 9.437 4.047 0.000) 10.268 37.318 ( 10.146 -4.768 0.000) 11.211 40.997 ( -9.416 7.020 0.000) 11.745 41.731 ( -5.734 -3.211 0.000) 6.572 60.185 ( -15.040 42.786 0.000) 45.352 65.434 (-105.738 15.561 0.000) 106.877 ======================= Grid point 54 (31/378) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 13.247 23.691 0.000) 27.143 3.446 ( 15.826 30.553 0.000) 34.408 4.886 ( 23.986 9.953 0.000) 25.968 5.704 ( 15.890 -5.107 0.000) 16.691 5.967 ( 22.476 2.885 0.000) 22.661 6.537 ( 7.000 10.165 0.000) 12.342 9.293 ( 3.023 -2.968 0.000) 4.236 9.974 ( 1.225 6.754 0.000) 6.864 10.454 ( -0.865 -7.555 0.000) 7.604 11.474 ( 30.220 1.208 0.000) 30.244 11.970 ( 11.341 -13.999 0.000) 18.016 13.144 ( 12.728 -9.662 0.000) 15.979 13.961 ( 6.780 -4.913 0.000) 8.373 15.085 ( 18.360 -8.153 0.000) 20.089 15.459 ( 8.180 -22.172 0.000) 23.633 17.099 ( -7.930 16.963 0.000) 18.725 17.884 ( -11.466 13.075 0.000) 17.391 19.622 ( -18.788 -2.120 0.000) 18.907 36.820 ( 12.620 3.940 0.000) 13.221 37.534 ( 11.273 -5.767 0.000) 12.662 40.813 ( -8.740 9.040 0.000) 12.574 41.596 ( -7.873 -3.469 0.000) 8.603 59.849 ( -18.330 38.847 0.000) 42.955 63.485 ( -88.462 33.142 0.000) 94.467 ======================= Grid point 55 (32/378) ======================= q-point: ( 0.24 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( 14.504 16.172 0.000) 21.724 3.725 ( 12.891 22.379 0.000) 25.826 5.169 ( 5.252 -0.426 0.000) 5.269 5.790 ( -3.051 0.721 0.000) 3.135 6.587 ( 34.841 4.646 0.000) 35.149 6.888 ( 26.278 -6.955 0.000) 27.183 9.350 ( 2.465 -9.251 0.000) 9.574 9.892 ( -7.984 14.536 0.000) 16.584 10.530 ( 8.466 -4.070 0.000) 9.394 12.100 ( 29.571 -4.375 0.000) 29.893 12.216 ( 14.690 -16.782 0.000) 22.303 13.385 ( 11.342 -6.449 0.000) 13.047 14.123 ( 9.512 -1.195 0.000) 9.587 15.417 ( 14.428 -4.230 0.000) 15.035 15.676 ( 14.029 -19.667 0.000) 24.158 16.949 ( -7.015 15.853 0.000) 17.336 17.653 ( -11.402 14.180 0.000) 18.195 19.256 ( -18.203 -2.211 0.000) 18.337 37.089 ( 14.284 3.729 0.000) 14.763 37.752 ( 10.488 -5.556 0.000) 11.869 40.662 ( -6.431 8.722 0.000) 10.837 41.424 ( -9.379 -3.590 0.000) 10.043 59.482 ( -18.091 34.662 0.000) 39.099 61.955 ( -66.447 34.383 0.000) 74.816 ======================= Grid point 56 (33/378) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( 14.679 9.048 0.000) 17.244 3.967 ( 11.598 12.204 0.000) 16.836 5.176 ( -3.008 -2.994 0.000) 4.244 5.651 ( -9.886 -0.060 0.000) 9.886 7.266 ( 32.069 -1.307 0.000) 32.095 7.430 ( 26.182 -14.797 0.000) 30.074 9.386 ( 1.210 -14.212 0.000) 14.264 9.720 ( -8.335 11.866 0.000) 14.500 10.763 ( 14.483 3.251 0.000) 14.843 12.381 ( 7.706 -19.034 0.000) 20.535 12.758 ( 30.104 -4.176 0.000) 30.392 13.582 ( 8.367 -5.634 0.000) 10.087 14.336 ( 11.944 2.959 0.000) 12.305 15.658 ( 10.303 -6.936 0.000) 12.420 15.989 ( 16.396 -6.775 0.000) 17.741 16.822 ( -5.920 12.720 0.000) 14.030 17.455 ( -8.006 14.296 0.000) 16.385 18.900 ( -17.756 -2.301 0.000) 17.904 37.375 ( 14.339 3.364 0.000) 14.728 37.941 ( 8.382 -4.543 0.000) 9.534 40.561 ( -3.702 7.000 0.000) 7.919 41.230 ( -10.053 -3.467 0.000) 10.634 59.152 ( -14.808 30.950 0.000) 34.310 60.822 ( -48.732 31.080 0.000) 57.799 ======================= Grid point 57 (34/378) ======================= q-point: ( 0.35 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.965 ( 14.373 2.539 0.000) 14.596 4.185 ( 10.474 3.662 0.000) 11.096 5.081 ( -6.190 -4.451 0.000) 7.624 5.424 ( -12.652 -3.196 0.000) 13.050 7.804 ( 21.342 -6.791 0.000) 22.397 7.885 ( 19.499 -18.375 0.000) 26.793 9.408 ( 1.322 -15.853 0.000) 15.908 9.583 ( -5.301 4.412 0.000) 6.897 11.088 ( 18.058 7.725 0.000) 19.641 12.471 ( 0.997 -13.568 0.000) 13.604 13.301 ( 23.994 -5.600 0.000) 24.638 13.719 ( 5.802 -7.170 0.000) 9.223 14.594 ( 14.162 6.631 0.000) 15.638 15.817 ( 4.845 -5.232 0.000) 7.130 16.291 ( 13.509 4.719 0.000) 14.309 16.715 ( -4.502 8.205 0.000) 9.359 17.362 ( -0.960 11.514 0.000) 11.554 18.551 ( -17.443 -1.903 0.000) 17.547 37.647 ( 12.889 2.798 0.000) 13.190 38.078 ( 5.299 -3.162 0.000) 6.171 40.515 ( -0.944 4.774 0.000) 4.866 41.032 ( -9.782 -3.027 0.000) 10.240 58.911 ( -9.256 28.133 0.000) 29.616 59.997 ( -35.129 28.050 0.000) 44.954 ======================= Grid point 58 (35/378) ======================= q-point: ( 0.41 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.245 ( 13.870 -3.299 0.000) 14.257 4.382 ( 9.414 -1.464 0.000) 9.527 4.943 ( -7.515 -6.222 0.000) 9.756 5.161 ( -13.732 -5.334 0.000) 14.731 8.114 ( 10.848 -11.081 0.000) 15.507 8.186 ( 10.362 -18.212 0.000) 20.953 9.443 ( 2.045 -16.780 0.000) 16.904 9.513 ( -1.849 -3.293 0.000) 3.777 11.464 ( 19.546 8.512 0.000) 21.319 12.407 ( -7.511 -5.287 0.000) 9.185 13.686 ( 14.475 -7.139 0.000) 16.140 13.823 ( 4.694 -9.194 0.000) 10.323 14.900 ( 16.751 9.326 0.000) 19.172 15.807 ( -6.395 1.356 0.000) 6.537 16.507 ( 8.256 12.252 0.000) 14.774 16.670 ( 0.076 2.951 0.000) 2.952 17.420 ( 6.680 6.221 0.000) 9.128 18.211 ( -16.836 -1.009 0.000) 16.866 37.877 ( 10.194 1.999 0.000) 10.388 38.146 ( 1.538 -1.693 0.000) 2.287 40.523 ( 1.766 2.559 0.000) 3.109 40.848 ( -8.613 -2.216 0.000) 8.894 58.796 ( -2.177 26.341 0.000) 26.430 59.414 ( -24.124 26.244 0.000) 35.648 ======================= Grid point 59 (36/378) ======================= q-point: ( 0.47 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.500 ( 10.723 -8.319 0.000) 13.571 4.550 ( 6.464 -3.152 0.000) 7.191 4.805 ( -4.750 -7.560 0.000) 8.929 4.896 ( -12.064 -5.231 0.000) 13.150 8.263 ( 4.587 -13.703 0.000) 14.451 8.298 ( 1.417 -16.323 0.000) 16.384 9.479 ( 1.376 -15.693 0.000) 15.753 9.495 ( -0.444 -10.219 0.000) 10.228 11.847 ( 18.635 6.409 0.000) 19.706 12.183 ( -14.692 1.811 0.000) 14.803 13.873 ( 4.701 -8.377 0.000) 9.606 13.894 ( 1.910 -9.751 0.000) 9.936 15.249 ( 17.927 9.856 0.000) 20.458 15.584 ( -15.089 7.445 0.000) 16.826 16.630 ( 4.329 9.887 0.000) 10.793 16.678 ( -0.533 4.898 0.000) 4.927 17.612 ( 12.287 2.246 0.000) 12.490 17.890 ( -15.375 0.264 0.000) 15.377 38.045 ( 6.613 0.962 0.000) 6.683 38.136 ( -2.563 -0.288 0.000) 2.579 40.585 ( 4.371 0.599 0.000) 4.412 40.695 ( -6.728 -1.006 0.000) 6.803 58.831 ( 5.858 25.497 0.000) 26.162 59.032 ( -14.577 25.468 0.000) 29.345 ======================= Grid point 68 (37/378) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 0.000 28.043 0.000) 28.043 3.412 ( 0.000 32.588 0.000) 32.588 4.257 ( 0.000 -7.295 0.000) 7.295 4.803 ( 0.000 26.210 0.000) 26.210 5.744 ( 0.000 5.429 0.000) 5.429 7.089 ( 0.000 21.945 0.000) 21.945 9.266 ( 0.000 -3.231 0.000) 3.231 9.284 ( 0.000 -8.294 0.000) 8.294 10.321 ( 0.000 -0.722 0.000) 0.722 10.588 ( 0.000 -1.111 0.000) 1.111 11.579 ( 0.000 -21.862 0.000) 21.862 12.491 ( 0.000 4.707 0.000) 4.707 13.667 ( 0.000 -5.152 0.000) 5.152 13.992 ( 0.000 -15.723 0.000) 15.723 15.026 ( 0.000 -11.446 0.000) 11.446 17.665 ( 0.000 11.350 0.000) 11.350 18.436 ( 0.000 5.388 0.000) 5.388 20.282 ( 0.000 -6.973 0.000) 6.973 36.485 ( 0.000 4.114 0.000) 4.114 37.045 ( 0.000 -2.176 0.000) 2.176 41.256 ( 0.000 1.339 0.000) 1.339 41.794 ( 0.000 -2.784 0.000) 2.784 61.543 ( 0.000 59.566 0.000) 59.566 67.182 ( 0.000 -66.370 0.000) 66.370 ======================= Grid point 69 (38/378) ======================= q-point: ( 0.06 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 22.770 26.591 0.000) 35.008 3.438 ( 3.007 31.193 0.000) 31.338 4.465 ( 20.011 -6.151 0.000) 20.935 4.800 ( 0.220 21.917 0.000) 21.918 5.749 ( 0.625 5.185 0.000) 5.223 7.037 ( -4.997 21.041 0.000) 21.627 9.195 ( -2.823 -6.592 0.000) 7.171 9.454 ( 12.102 -7.018 0.000) 13.990 10.376 ( 4.675 2.551 0.000) 5.326 10.690 ( 10.485 -1.861 0.000) 10.649 11.548 ( -2.357 -19.983 0.000) 20.122 12.580 ( 8.344 2.768 0.000) 8.792 13.686 ( 2.460 -4.281 0.000) 4.938 14.119 ( 12.073 -15.065 0.000) 19.306 15.021 ( -0.372 -12.288 0.000) 12.294 17.629 ( -3.526 11.562 0.000) 12.087 18.395 ( -4.083 5.913 0.000) 7.185 20.178 ( -10.056 -6.099 0.000) 11.761 36.535 ( 5.035 4.111 0.000) 6.500 37.098 ( 5.190 -2.549 0.000) 5.783 41.214 ( -4.143 2.195 0.000) 4.688 41.762 ( -3.270 -2.876 0.000) 4.355 61.430 ( -11.136 57.790 0.000) 58.853 66.635 ( -52.225 -52.643 0.000) 74.154 ======================= Grid point 70 (39/378) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( 9.734 27.113 0.000) 28.808 3.647 ( 22.546 27.323 0.000) 35.424 4.810 ( 5.370 12.395 0.000) 13.508 5.022 ( 30.700 -7.294 0.000) 31.554 5.783 ( 3.468 4.082 0.000) 5.356 6.907 ( -7.561 18.311 0.000) 19.811 9.146 ( -2.273 -10.633 0.000) 10.873 9.734 ( 15.264 -5.123 0.000) 16.101 10.461 ( 2.877 5.240 0.000) 5.978 11.003 ( 20.853 -0.288 0.000) 20.855 11.529 ( 1.489 -18.454 0.000) 18.514 12.791 ( 12.294 0.029 0.000) 12.294 13.779 ( 7.041 -0.722 0.000) 7.078 14.441 ( 19.826 -14.111 0.000) 24.335 15.025 ( 1.188 -14.273 0.000) 14.323 17.530 ( -6.324 12.022 0.000) 13.584 18.278 ( -7.532 7.365 0.000) 10.535 19.910 ( -16.292 -4.516 0.000) 16.907 36.680 ( 9.381 4.092 0.000) 10.235 37.241 ( 9.027 -3.325 0.000) 9.620 41.101 ( -6.924 4.066 0.000) 8.030 41.668 ( -6.052 -3.162 0.000) 6.828 61.120 ( -19.584 52.991 0.000) 56.494 65.303 ( -76.964 -25.182 0.000) 80.979 ======================= Grid point 71 (40/378) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( 6.934 22.671 0.000) 23.708 4.039 ( 13.097 29.849 0.000) 32.596 4.961 ( 9.378 -3.188 0.000) 9.905 5.647 ( 26.278 -0.451 0.000) 26.282 5.939 ( 15.714 -4.282 0.000) 16.287 6.780 ( -3.340 13.096 0.000) 13.515 9.104 ( -1.953 -14.486 0.000) 14.618 10.017 ( 11.632 0.527 0.000) 11.644 10.481 ( 0.524 6.719 0.000) 6.740 11.486 ( 26.329 -1.026 0.000) 26.349 11.630 ( 9.281 -17.807 0.000) 20.081 13.043 ( 12.671 -2.431 0.000) 12.902 13.961 ( 11.034 4.531 0.000) 11.928 14.880 ( 23.869 -12.432 0.000) 26.913 15.087 ( 5.530 -15.781 0.000) 16.722 17.387 ( -7.878 12.342 0.000) 14.643 18.105 ( -9.713 9.353 0.000) 13.484 19.561 ( -18.376 -3.633 0.000) 18.732 36.899 ( 12.486 4.024 0.000) 13.119 37.442 ( 10.913 -3.890 0.000) 11.586 40.952 ( -7.788 5.604 0.000) 9.594 41.526 ( -8.152 -3.543 0.000) 8.888 60.683 ( -23.704 46.443 0.000) 52.142 63.759 ( -75.781 -3.158 0.000) 75.847 ======================= Grid point 72 (41/378) ======================= q-point: ( 0.24 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( 8.160 17.064 0.000) 18.914 4.185 ( 3.508 24.051 0.000) 24.306 5.097 ( 3.222 -6.068 0.000) 6.871 5.848 ( -2.707 3.959 0.000) 4.796 6.474 ( 31.541 -12.619 0.000) 33.971 6.881 ( 14.799 3.392 0.000) 15.183 9.071 ( -1.251 -16.535 0.000) 16.582 10.089 ( -4.754 5.799 0.000) 7.499 10.604 ( 12.945 8.966 0.000) 15.747 11.808 ( 11.458 -17.886 0.000) 21.242 12.077 ( 29.105 -3.410 0.000) 29.305 13.277 ( 10.580 -5.228 0.000) 11.801 14.206 ( 13.449 9.022 0.000) 16.195 15.245 ( 10.731 -12.960 0.000) 16.826 15.370 ( 24.624 -11.407 0.000) 27.138 17.228 ( -8.013 12.349 0.000) 14.721 17.905 ( -10.173 11.177 0.000) 15.113 19.196 ( -18.249 -3.487 0.000) 18.579 37.164 ( 14.015 3.848 0.000) 14.534 37.661 ( 10.911 -3.918 0.000) 11.593 40.803 ( -7.036 6.014 0.000) 9.256 41.351 ( -9.448 -3.805 0.000) 10.185 60.211 ( -23.294 39.535 0.000) 45.887 62.375 ( -63.079 8.888 0.000) 63.702 ======================= Grid point 73 (42/378) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( 8.539 11.608 0.000) 14.410 4.229 ( 1.730 13.994 0.000) 14.101 5.094 ( -2.966 -4.574 0.000) 5.452 5.658 ( -14.193 -0.153 0.000) 14.194 7.063 ( 27.059 -14.828 0.000) 30.855 7.273 ( 21.448 -4.774 0.000) 21.973 9.057 ( -0.026 -16.597 0.000) 16.597 9.923 ( -10.247 7.663 0.000) 12.795 10.920 ( 17.579 10.737 0.000) 20.599 12.037 ( 11.253 -14.644 0.000) 18.468 12.636 ( 26.547 -8.555 0.000) 27.892 13.459 ( 7.954 -6.482 0.000) 10.260 14.486 ( 14.769 11.621 0.000) 18.793 15.482 ( 12.450 -10.078 0.000) 16.018 15.847 ( 23.112 -7.749 0.000) 24.377 17.078 ( -6.891 12.719 0.000) 14.466 17.714 ( -8.725 11.717 0.000) 14.609 18.842 ( -17.529 -3.414 0.000) 17.859 37.443 ( 13.875 3.493 0.000) 14.308 37.864 ( 9.323 -3.414 0.000) 9.928 40.681 ( -5.240 5.319 0.000) 7.467 41.158 ( -9.797 -3.764 0.000) 10.495 59.785 ( -19.167 33.308 0.000) 38.429 61.272 ( -48.412 14.556 0.000) 50.553 ======================= Grid point 74 (43/378) ======================= q-point: ( 0.35 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.042 ( 7.571 5.673 0.000) 9.461 4.279 ( 3.825 5.320 0.000) 6.553 4.994 ( -7.033 -4.168 0.000) 8.175 5.345 ( -16.366 -4.999 0.000) 17.112 7.528 ( 19.581 -16.571 0.000) 25.652 7.652 ( 15.930 -9.266 0.000) 18.429 9.075 ( 1.930 -15.028 0.000) 15.152 9.719 ( -9.932 6.991 0.000) 12.146 11.276 ( 18.051 9.777 0.000) 20.529 12.228 ( 7.237 -9.775 0.000) 12.163 13.104 ( 20.252 -14.504 0.000) 24.910 13.601 ( 6.578 -4.310 0.000) 7.865 14.789 ( 15.755 12.507 0.000) 20.116 15.700 ( 8.576 -6.979 0.000) 11.057 16.271 ( 19.346 -4.198 0.000) 19.797 16.962 ( -4.640 14.821 0.000) 15.530 17.573 ( -5.104 9.503 0.000) 10.787 18.502 ( -16.767 -3.014 0.000) 17.036 37.703 ( 12.190 2.899 0.000) 12.530 38.023 ( 6.502 -2.529 0.000) 6.977 40.600 ( -2.845 3.917 0.000) 4.841 40.969 ( -9.137 -3.309 0.000) 9.718 59.469 ( -12.465 28.336 0.000) 30.956 60.447 ( -35.222 17.410 0.000) 39.290 ======================= Grid point 75 (44/378) ======================= q-point: ( 0.41 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( 6.786 -2.239 0.000) 7.146 4.389 ( 6.888 1.224 0.000) 6.996 4.820 ( -10.194 -6.223 0.000) 11.944 5.041 ( -13.720 -6.570 0.000) 15.212 7.833 ( 11.280 -16.658 0.000) 20.118 7.893 ( 8.486 -11.983 0.000) 14.684 9.137 ( 4.391 -11.963 0.000) 12.744 9.537 ( -8.433 3.675 0.000) 9.199 11.627 ( 17.249 6.833 0.000) 18.553 12.295 ( -0.978 -5.359 0.000) 5.447 13.436 ( 13.478 -16.304 0.000) 21.153 13.713 ( 4.191 -2.851 0.000) 5.068 15.109 ( 16.448 11.356 0.000) 19.987 15.787 ( -0.468 -3.416 0.000) 3.448 16.596 ( 13.072 0.096 0.000) 13.072 16.900 ( -1.747 17.149 0.000) 17.238 17.531 ( 1.402 4.535 0.000) 4.747 18.178 ( -15.831 -2.292 0.000) 15.996 37.917 ( 9.254 2.048 0.000) 9.478 38.116 ( 2.830 -1.420 0.000) 3.166 40.570 ( -0.141 2.206 0.000) 2.210 40.802 ( -7.564 -2.411 0.000) 7.939 59.301 ( -4.249 24.768 0.000) 25.130 59.864 ( -23.953 19.213 0.000) 30.707 ======================= Grid point 76 (45/378) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 618 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.331 ( 8.563 -7.948 0.000) 11.684 4.482 ( -2.451 -4.754 0.000) 5.349 4.665 ( 0.117 -5.792 0.000) 5.793 4.807 ( -10.213 -4.147 0.000) 11.023 7.981 ( 3.886 -15.468 0.000) 15.948 7.997 ( 2.169 -13.836 0.000) 14.005 9.245 ( 6.318 -7.340 0.000) 9.685 9.381 ( -7.336 -1.667 0.000) 7.523 11.947 ( 14.664 2.949 0.000) 14.958 12.190 ( -9.269 -1.258 0.000) 9.354 13.647 ( 7.889 -12.017 0.000) 14.375 13.743 ( -1.600 -6.328 0.000) 6.527 15.427 ( 15.075 7.773 0.000) 16.961 15.680 ( -9.788 2.188 0.000) 10.030 16.786 ( 6.435 6.669 0.000) 9.268 16.869 ( -2.277 13.907 0.000) 14.092 17.641 ( 9.443 0.359 0.000) 9.450 17.880 ( -14.024 -1.355 0.000) 14.089 38.064 ( 5.474 0.980 0.000) 5.561 38.132 ( -1.299 -0.213 0.000) 1.317 40.595 ( 2.651 0.466 0.000) 2.691 40.674 ( -5.307 -1.119 0.000) 5.424 59.305 ( 4.685 22.381 0.000) 22.866 59.489 ( -14.002 20.703 0.000) 24.994 ======================= Grid point 85 (46/378) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 0.000 20.023 0.000) 20.023 3.984 ( 0.000 26.341 0.000) 26.341 4.095 ( 0.000 -8.992 0.000) 8.992 4.863 ( 0.000 -12.260 0.000) 12.260 6.094 ( 0.000 21.941 0.000) 21.941 7.421 ( 0.000 11.666 0.000) 11.666 9.084 ( 0.000 -9.897 0.000) 9.897 9.222 ( 0.000 -1.408 0.000) 1.408 10.303 ( 0.000 -0.946 0.000) 0.946 10.644 ( 0.000 4.591 0.000) 4.591 11.223 ( 0.000 -13.705 0.000) 13.705 12.569 ( 0.000 3.033 0.000) 3.033 13.582 ( 0.000 -3.290 0.000) 3.290 13.757 ( 0.000 -8.388 0.000) 8.388 14.836 ( 0.000 -7.508 0.000) 7.508 17.839 ( 0.000 6.357 0.000) 6.357 18.502 ( 0.000 1.789 0.000) 1.789 20.176 ( 0.000 -3.798 0.000) 3.798 36.554 ( 0.000 2.813 0.000) 2.813 37.006 ( 0.000 -1.699 0.000) 1.699 41.280 ( 0.000 0.986 0.000) 0.986 41.749 ( 0.000 -1.791 0.000) 1.791 62.782 ( 0.000 66.665 0.000) 66.665 65.837 ( 0.000 -70.588 0.000) 70.588 ======================= Grid point 86 (47/378) ======================= q-point: ( 0.06 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( 21.230 18.917 0.000) 28.435 3.987 ( 0.756 25.255 0.000) 25.267 4.319 ( 21.451 -8.143 0.000) 22.944 4.842 ( -2.006 -11.551 0.000) 11.724 6.053 ( -3.785 19.020 0.000) 19.393 7.359 ( -6.120 11.447 0.000) 12.980 9.018 ( -4.995 -9.310 0.000) 10.565 9.358 ( 12.288 -2.700 0.000) 12.581 10.449 ( 12.416 3.322 0.000) 12.853 10.687 ( 5.349 1.210 0.000) 5.484 11.207 ( -1.162 -13.452 0.000) 13.502 12.638 ( 6.635 2.480 0.000) 7.083 13.635 ( 5.753 -0.866 0.000) 5.818 13.879 ( 11.732 -9.483 0.000) 15.086 14.820 ( -1.419 -7.827 0.000) 7.954 17.805 ( -3.375 6.352 0.000) 7.193 18.470 ( -3.188 2.156 0.000) 3.849 20.084 ( -9.042 -3.447 0.000) 9.677 36.605 ( 5.042 2.823 0.000) 5.778 37.054 ( 4.764 -1.836 0.000) 5.105 41.249 ( -3.092 1.333 0.000) 3.367 41.714 ( -3.451 -1.869 0.000) 3.924 62.625 ( -15.492 63.786 0.000) 65.640 65.490 ( -33.759 -62.918 0.000) 71.402 ======================= Grid point 87 (48/378) ======================= q-point: ( 0.12 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( 10.592 20.769 0.000) 23.314 4.114 ( 20.731 20.490 0.000) 29.149 4.787 ( -1.617 -11.069 0.000) 11.187 4.889 ( 32.969 -6.368 0.000) 33.578 5.963 ( -4.790 10.909 0.000) 11.914 7.193 ( -10.050 10.563 0.000) 14.580 8.917 ( -4.805 -10.425 0.000) 11.479 9.670 ( 18.102 -1.855 0.000) 18.197 10.607 ( 2.228 7.951 0.000) 8.257 10.969 ( 22.576 -2.998 0.000) 22.774 11.210 ( 2.528 -12.392 0.000) 12.647 12.809 ( 10.022 0.979 0.000) 10.069 13.817 ( 12.384 4.012 0.000) 13.018 14.198 ( 20.019 -10.495 0.000) 22.603 14.795 ( -0.415 -8.869 0.000) 8.878 17.710 ( -6.135 6.348 0.000) 8.828 18.379 ( -5.943 3.180 0.000) 6.740 19.836 ( -15.343 -2.769 0.000) 15.591 36.749 ( 9.376 2.845 0.000) 9.798 37.188 ( 8.523 -2.141 0.000) 8.788 41.162 ( -5.542 2.182 0.000) 5.956 41.615 ( -6.412 -2.119 0.000) 6.753 62.195 ( -26.930 56.163 0.000) 62.285 64.590 ( -54.262 -45.050 0.000) 70.526 ======================= Grid point 88 (49/378) ======================= q-point: ( 0.18 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( 2.412 19.048 0.000) 19.200 4.553 ( 10.152 19.779 0.000) 22.233 4.809 ( 10.518 -8.310 0.000) 13.405 5.600 ( 36.179 -6.774 0.000) 36.808 5.885 ( -2.508 0.340 0.000) 2.531 6.992 ( -9.025 7.955 0.000) 12.031 8.838 ( -3.110 -10.940 0.000) 11.373 10.015 ( 14.303 -0.713 0.000) 14.321 10.623 ( 2.025 6.540 0.000) 6.847 11.311 ( 9.228 -10.439 0.000) 13.933 11.487 ( 26.578 -1.933 0.000) 26.648 13.009 ( 9.666 -1.344 0.000) 9.759 14.107 ( 16.250 9.363 0.000) 18.754 14.652 ( 25.204 -9.944 0.000) 27.095 14.832 ( 4.878 -10.672 0.000) 11.734 17.570 ( -7.716 6.417 0.000) 10.036 18.240 ( -7.907 4.585 0.000) 9.140 19.500 ( -18.090 -2.367 0.000) 18.244 36.968 ( 12.422 2.851 0.000) 12.745 37.381 ( 10.676 -2.401 0.000) 10.943 41.036 ( -6.896 3.068 0.000) 7.548 41.465 ( -8.544 -2.503 0.000) 8.903 61.599 ( -32.159 46.121 0.000) 56.226 63.447 ( -58.779 -26.224 0.000) 64.364 ======================= Grid point 89 (50/378) ======================= q-point: ( 0.24 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.029 ( 3.428 14.919 0.000) 15.308 4.542 ( -4.706 7.098 0.000) 8.517 5.057 ( 7.222 8.044 0.000) 10.811 5.810 ( -5.721 -11.808 0.000) 13.121 6.300 ( 32.131 -1.678 0.000) 32.175 6.918 ( 3.912 0.065 0.000) 3.912 8.798 ( -0.843 -10.338 0.000) 10.372 10.131 ( -2.450 -0.570 0.000) 2.516 10.790 ( 14.431 8.547 0.000) 16.772 11.547 ( 14.720 -8.356 0.000) 16.927 12.004 ( 24.579 -3.822 0.000) 24.875 13.185 ( 8.217 -3.840 0.000) 9.070 14.434 ( 16.340 13.461 0.000) 21.170 15.001 ( 12.204 -11.664 0.000) 16.882 15.178 ( 27.116 -8.328 0.000) 28.366 17.415 ( -7.592 6.763 0.000) 10.168 18.072 ( -8.941 5.863 0.000) 10.692 19.136 ( -18.319 -2.379 0.000) 18.473 37.230 ( 13.823 2.785 0.000) 14.100 37.599 ( 11.073 -2.451 0.000) 11.341 40.897 ( -7.007 3.545 0.000) 7.853 41.283 ( -9.649 -2.853 0.000) 10.062 60.962 ( -31.307 35.961 0.000) 47.680 62.332 ( -52.698 -11.575 0.000) 53.954 ======================= Grid point 90 (51/378) ======================= q-point: ( 0.29 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 4.257 11.134 0.000) 11.920 4.435 ( -5.583 4.581 0.000) 7.222 5.078 ( -3.596 5.674 0.000) 6.718 5.585 ( -16.357 -8.795 0.000) 18.572 6.867 ( 25.029 -3.562 0.000) 25.281 7.144 ( 16.183 -8.479 0.000) 18.270 8.806 ( 1.751 -8.642 0.000) 8.817 10.006 ( -8.521 1.443 0.000) 8.643 11.102 ( 15.715 6.572 0.000) 17.034 11.879 ( 17.690 -0.916 0.000) 17.714 12.433 ( 18.572 -11.602 0.000) 21.898 13.354 ( 9.346 -3.936 0.000) 10.141 14.750 ( 15.552 14.787 0.000) 21.459 15.278 ( 14.648 -11.284 0.000) 18.490 15.709 ( 25.994 -5.736 0.000) 26.620 17.283 ( -5.324 7.823 0.000) 9.463 17.891 ( -9.185 6.289 0.000) 11.132 18.781 ( -17.488 -2.527 0.000) 17.670 37.504 ( 13.480 2.573 0.000) 13.724 37.809 ( 9.853 -2.224 0.000) 10.100 40.766 ( -5.990 3.411 0.000) 6.893 41.091 ( -9.629 -2.952 0.000) 10.071 60.390 ( -25.803 27.241 0.000) 37.522 61.387 ( -42.327 -1.663 0.000) 42.359 ======================= Grid point 91 (52/378) ======================= q-point: ( 0.35 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.176 ( 1.588 7.572 0.000) 7.736 4.356 ( -0.937 1.454 0.000) 1.730 4.953 ( -8.886 1.164 0.000) 8.962 5.222 ( -18.469 -7.869 0.000) 20.075 7.295 ( 18.118 -6.392 0.000) 19.212 7.456 ( 13.851 -10.380 0.000) 17.309 8.870 ( 4.818 -6.044 0.000) 7.729 9.821 ( -9.926 3.309 0.000) 10.463 11.401 ( 14.602 2.464 0.000) 14.809 12.174 ( 10.063 5.412 0.000) 11.426 12.773 ( 17.202 -18.582 0.000) 25.322 13.549 ( 9.468 -1.446 0.000) 9.578 15.049 ( 14.507 13.759 0.000) 19.994 15.538 ( 10.775 -9.871 0.000) 14.613 16.194 ( 22.688 -3.052 0.000) 22.893 17.217 ( -1.259 10.265 0.000) 10.342 17.713 ( -8.561 4.779 0.000) 9.804 18.445 ( -16.454 -2.557 0.000) 16.652 37.754 ( 11.549 2.154 0.000) 11.748 37.980 ( 7.307 -1.732 0.000) 7.510 40.665 ( -4.098 2.712 0.000) 4.914 40.909 ( -8.525 -2.650 0.000) 8.927 59.959 ( -17.361 20.696 0.000) 27.014 60.657 ( -31.505 4.615 0.000) 31.842 ======================= Grid point 92 (53/378) ======================= q-point: ( 0.41 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.170 ( -0.391 0.769 0.000) 0.863 4.412 ( 4.898 0.969 0.000) 4.993 4.712 ( -14.432 -4.478 0.000) 15.111 4.925 ( -11.132 -4.920 0.000) 12.171 7.582 ( 10.914 -8.282 0.000) 13.701 7.669 ( 7.519 -10.347 0.000) 12.791 8.999 ( 8.142 -2.948 0.000) 8.659 9.617 ( -10.630 3.750 0.000) 11.272 11.684 ( 13.916 -0.752 0.000) 13.937 12.252 ( -1.471 1.292 0.000) 1.958 13.133 ( 18.360 -13.332 0.000) 22.690 13.685 ( 3.287 -0.522 0.000) 3.328 15.320 ( 12.735 10.214 0.000) 16.325 15.683 ( 3.548 -6.963 0.000) 7.815 16.600 ( 18.233 0.454 0.000) 18.239 17.217 ( -0.093 14.449 0.000) 14.449 17.575 ( -3.991 -0.325 0.000) 4.005 18.129 ( -15.337 -2.415 0.000) 15.526 37.953 ( 8.383 1.510 0.000) 8.518 38.092 ( 3.809 -1.028 0.000) 3.945 40.608 ( -1.619 1.631 0.000) 2.299 40.759 ( -6.537 -1.925 0.000) 6.814 59.711 ( -7.571 16.283 0.000) 17.957 60.134 ( -21.483 8.492 0.000) 23.101 ======================= Grid point 93 (54/378) ======================= q-point: ( 0.47 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.212 ( 5.286 -4.044 0.000) 6.656 4.379 ( -10.344 -4.905 0.000) 11.448 4.592 ( 5.434 -2.090 0.000) 5.822 4.739 ( -8.358 -2.640 0.000) 8.766 7.731 ( 4.268 -9.295 0.000) 10.228 7.757 ( 1.532 -9.907 0.000) 10.025 9.186 ( 10.454 0.087 0.000) 10.454 9.402 ( -11.054 2.517 0.000) 11.337 11.945 ( 12.083 -2.506 0.000) 12.341 12.150 ( -8.232 -2.238 0.000) 8.531 13.460 ( 13.883 -6.594 0.000) 15.370 13.660 ( -5.861 -2.297 0.000) 6.295 15.543 ( 9.432 4.503 0.000) 10.452 15.678 ( -3.832 -1.838 0.000) 4.250 16.915 ( 13.619 5.845 0.000) 14.820 17.137 ( -8.369 12.600 0.000) 15.127 17.618 ( 8.092 -2.697 0.000) 8.530 17.842 ( -13.450 -2.235 0.000) 13.635 38.081 ( 4.453 0.695 0.000) 4.507 38.128 ( -0.245 -0.188 0.000) 0.309 40.603 ( 1.162 0.377 0.000) 1.222 40.654 ( -3.975 -0.865 0.000) 4.069 59.660 ( 2.376 13.368 0.000) 13.577 59.803 ( -11.984 11.079 0.000) 16.321 ======================= Grid point 102 (55/378) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 -0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 -0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 -0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 10.697 ( 0.000 0.000 0.000) 0.000 11.085 ( 0.000 0.000 0.000) 0.000 12.599 ( 0.000 0.000 0.000) 0.000 13.549 ( 0.000 0.000 0.000) 0.000 13.674 ( 0.000 0.000 0.000) 0.000 14.759 ( 0.000 0.000 0.000) 0.000 17.902 ( 0.000 0.000 0.000) 0.000 18.517 ( 0.000 0.000 0.000) 0.000 20.139 ( 0.000 0.000 0.000) 0.000 36.583 ( 0.000 -0.000 0.000) 0.000 36.988 ( 0.000 0.000 0.000) 0.000 41.290 ( 0.000 0.000 0.000) 0.000 41.730 ( 0.000 0.000 0.000) 0.000 63.793 ( 0.000 0.000 0.000) 0.000 64.787 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 104 (56/378) ======================= q-point: ( 0.06 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.680 ( 20.059 0.000 0.000) 20.059 4.208 ( 22.439 -0.000 0.000) 22.439 4.340 ( -0.949 0.000 0.000) 0.949 4.610 ( -0.487 -0.000 0.000) 0.487 6.262 ( -6.897 0.000 0.000) 6.897 7.470 ( -6.225 -0.000 0.000) 6.225 8.917 ( -5.203 0.000 0.000) 5.203 9.334 ( 12.142 0.000 0.000) 12.142 10.480 ( 17.584 0.000 0.000) 17.584 10.707 ( 0.596 0.000 0.000) 0.596 11.071 ( -0.837 0.000 0.000) 0.837 12.663 ( 6.078 0.000 0.000) 6.078 13.637 ( 8.717 0.000 0.000) 8.717 13.775 ( 10.208 0.000 0.000) 10.208 14.740 ( -1.741 0.000 0.000) 1.741 17.868 ( -3.404 0.000 0.000) 3.404 18.489 ( -2.810 0.000 0.000) 2.810 20.050 ( -8.744 0.000 0.000) 8.744 36.634 ( 5.056 -0.000 0.000) 5.056 37.034 ( 4.643 0.000 0.000) 4.643 41.262 ( -2.773 0.000 0.000) 2.773 41.695 ( -3.539 0.000 0.000) 3.539 63.580 ( -20.947 0.000 0.000) 20.947 64.540 ( -24.142 0.000 0.000) 24.142 ======================= Grid point 106 (57/378) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.138 ( 17.214 0.000 0.000) 17.214 4.378 ( 11.944 0.000 0.000) 11.944 4.595 ( -0.805 0.000 0.000) 0.805 4.796 ( 34.688 -0.000 0.000) 34.688 6.084 ( -10.402 0.000 0.000) 10.402 7.298 ( -10.670 -0.000 0.000) 10.670 8.808 ( -5.146 0.000 0.000) 5.146 9.652 ( 18.712 0.000 0.000) 18.712 10.700 ( -1.424 0.000 0.000) 1.424 10.926 ( 26.049 0.000 0.000) 26.049 11.087 ( 3.273 0.000 0.000) 3.273 12.819 ( 9.013 0.000 0.000) 9.013 13.882 ( 15.562 -0.000 0.000) 15.562 14.074 ( 19.645 0.000 0.000) 19.645 14.705 ( -1.310 0.000 0.000) 1.310 17.772 ( -6.153 0.000 0.000) 6.153 18.408 ( -5.281 0.000 0.000) 5.281 19.809 ( -15.046 0.000 0.000) 15.046 36.779 ( 9.395 -0.000 0.000) 9.395 37.165 ( 8.366 0.000 0.000) 8.366 41.183 ( -5.063 0.000 0.000) 5.063 41.593 ( -6.600 0.000 0.000) 6.600 63.005 ( -35.710 0.000 0.000) 35.710 63.884 ( -40.396 0.000 0.000) 40.396 ======================= Grid point 108 (58/378) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( -0.321 0.000 0.000) 0.321 4.570 ( -1.710 0.000 0.000) 1.710 4.886 ( 28.702 0.000 0.000) 28.702 5.480 ( 27.999 -0.000 0.000) 27.999 5.903 ( -2.832 0.000 0.000) 2.832 7.071 ( -11.373 0.000 0.000) 11.373 8.726 ( -2.933 0.000 0.000) 2.933 10.004 ( 13.978 0.000 0.000) 13.978 10.692 ( 2.963 0.000 0.000) 2.963 11.212 ( 9.337 0.000 0.000) 9.337 11.464 ( 27.157 0.000 0.000) 27.157 12.995 ( 8.288 0.000 0.000) 8.288 14.235 ( 19.636 -0.000 0.000) 19.636 14.534 ( 26.024 0.000 0.000) 26.024 14.714 ( 2.979 0.000 0.000) 2.979 17.633 ( -7.630 0.000 0.000) 7.630 18.284 ( -7.164 0.000 0.000) 7.164 19.476 ( -18.014 0.000 0.000) 18.014 36.998 ( 12.423 -0.000 0.000) 12.423 37.356 ( 10.583 0.000 0.000) 10.583 41.067 ( -6.494 0.000 0.000) 6.494 41.439 ( -8.785 0.000 0.000) 8.785 62.225 ( -41.520 0.000 0.000) 41.520 63.011 ( -46.026 0.000 0.000) 46.026 ======================= Grid point 110 (59/378) ======================= q-point: ( 0.24 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.218 ( 0.746 0.000 0.000) 0.746 4.521 ( -3.453 0.000 0.000) 3.453 5.334 ( 13.553 0.000 0.000) 13.553 5.519 ( -11.165 -0.000 0.000) 11.165 6.320 ( 31.378 -0.000 0.000) 31.378 6.909 ( -2.786 0.000 0.000) 2.786 8.696 ( -0.083 0.000 0.000) 0.083 10.115 ( -1.868 0.000 0.000) 1.868 10.881 ( 14.349 0.000 0.000) 14.349 11.473 ( 17.727 0.000 0.000) 17.727 11.959 ( 21.726 0.000 0.000) 21.726 13.145 ( 7.307 0.000 0.000) 7.307 14.639 ( 20.561 -0.000 0.000) 20.561 14.824 ( 8.809 0.000 0.000) 8.809 15.089 ( 28.606 0.000 0.000) 28.606 17.482 ( -7.237 0.000 0.000) 7.237 18.129 ( -8.426 0.000 0.000) 8.426 19.112 ( -18.412 0.000 0.000) 18.412 37.260 ( 13.768 -0.000 0.000) 13.768 37.573 ( 11.106 0.000 0.000) 11.106 40.933 ( -6.866 0.000 0.000) 6.866 41.253 ( -9.822 0.000 0.000) 9.822 61.414 ( -39.245 0.000 0.000) 39.245 62.115 ( -43.382 0.000 0.000) 43.382 ======================= Grid point 112 (60/378) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.252 ( 2.721 0.000 0.000) 2.721 4.429 ( -5.842 0.000 0.000) 5.842 5.281 ( -11.947 0.000 0.000) 11.947 5.361 ( -9.718 -0.000 0.000) 9.718 6.887 ( 24.901 -0.000 0.000) 24.901 7.010 ( 11.856 0.000 0.000) 11.856 8.725 ( 3.039 0.000 0.000) 3.039 10.013 ( -7.220 0.000 0.000) 7.220 11.161 ( 13.151 0.000 0.000) 13.151 11.919 ( 26.391 0.000 0.000) 26.391 12.279 ( 9.846 -0.000 0.000) 9.846 13.315 ( 10.392 0.000 0.000) 10.392 15.029 ( 18.355 -0.000 0.000) 18.355 15.038 ( 12.141 0.000 0.000) 12.141 15.650 ( 27.464 0.000 0.000) 27.464 17.362 ( -4.427 0.000 0.000) 4.427 17.953 ( -9.326 0.000 0.000) 9.326 18.755 ( -17.590 0.000 0.000) 17.590 37.531 ( 13.325 -0.000 0.000) 13.325 37.785 ( 10.031 0.000 0.000) 10.031 40.802 ( -6.176 0.000 0.000) 6.176 41.058 ( -9.611 0.000 0.000) 9.611 60.707 ( -31.494 0.000 0.000) 31.494 61.321 ( -36.443 0.000 0.000) 36.443 ======================= Grid point 114 (61/378) ======================= q-point: ( 0.35 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.298 ( -6.878 0.000 0.000) 6.878 4.324 ( 4.464 -0.000 0.000) 4.464 5.049 ( -19.387 0.000 0.000) 19.387 5.060 ( -10.287 -0.000 0.000) 10.287 7.287 ( 14.133 -0.000 0.000) 14.133 7.295 ( 16.248 0.000 0.000) 16.248 8.818 ( 6.439 0.000 0.000) 6.439 9.851 ( -9.007 0.000 0.000) 9.007 11.412 ( 12.511 0.000 0.000) 12.511 12.359 ( -0.764 0.000 0.000) 0.764 12.468 ( 27.873 -0.000 0.000) 27.873 13.536 ( 10.563 0.000 0.000) 10.563 15.277 ( 11.375 -0.000 0.000) 11.375 15.349 ( 13.601 0.000 0.000) 13.601 16.164 ( 24.219 0.000 0.000) 24.219 17.322 ( 0.727 0.000 0.000) 0.727 17.759 ( -10.311 0.000 0.000) 10.311 18.417 ( -16.475 0.000 0.000) 16.475 37.777 ( 11.264 -0.000 0.000) 11.264 37.962 ( 7.622 0.000 0.000) 7.622 40.695 ( -4.567 0.000 0.000) 4.567 40.880 ( -8.248 0.000 0.000) 8.248 60.185 ( -20.973 0.000 0.000) 20.973 60.680 ( -28.101 0.000 0.000) 28.101 ======================= Grid point 116 (62/378) ======================= q-point: ( 0.41 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( -3.867 0.000 0.000) 3.867 4.421 ( 4.772 0.000 0.000) 4.772 4.665 ( -17.615 -0.000 0.000) 17.615 4.873 ( -8.688 0.000 0.000) 8.688 7.523 ( 9.214 -0.000 0.000) 9.214 7.539 ( 8.700 0.000 0.000) 8.700 8.980 ( 9.769 0.000 0.000) 9.769 9.657 ( -10.582 0.000 0.000) 10.582 11.662 ( 12.730 0.000 0.000) 12.730 12.284 ( -6.301 0.000 0.000) 6.301 12.988 ( 24.019 0.000 0.000) 24.019 13.681 ( 3.141 0.000 0.000) 3.141 15.474 ( 8.377 -0.000 0.000) 8.377 15.558 ( 7.356 0.000 0.000) 7.356 16.606 ( 20.496 0.000 0.000) 20.496 17.395 ( 6.525 -0.000 0.000) 6.525 17.541 ( -11.806 0.000 0.000) 11.806 18.102 ( -15.264 0.000 0.000) 15.264 37.969 ( 7.977 -0.000 0.000) 7.977 38.081 ( 4.229 0.000 0.000) 4.229 40.626 ( -2.271 0.000 0.000) 2.271 40.737 ( -6.021 0.000 0.000) 6.021 59.880 ( -9.758 0.000 0.000) 9.758 60.209 ( -19.505 0.000 0.000) 19.505 ======================= Grid point 118 (63/378) ======================= q-point: ( 0.47 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.174 ( 3.422 0.000 0.000) 3.422 4.326 ( -11.475 -0.000 0.000) 11.475 4.573 ( 6.028 0.000 0.000) 6.028 4.712 ( -7.614 0.000 0.000) 7.614 7.645 ( 3.092 -0.000 0.000) 3.092 7.649 ( 2.611 0.000 0.000) 2.611 9.196 ( 11.787 0.000 0.000) 11.787 9.433 ( -11.835 0.000 0.000) 11.835 11.908 ( 11.873 0.000 0.000) 11.873 12.124 ( -9.653 0.000 0.000) 9.653 13.398 ( 16.863 0.000 0.000) 16.863 13.640 ( -7.325 0.000 0.000) 7.325 15.603 ( 4.411 0.000 0.000) 4.411 15.639 ( 0.942 0.000 0.000) 0.942 16.978 ( 17.071 0.000 0.000) 17.071 17.286 ( -14.090 0.000 0.000) 14.090 17.571 ( 10.885 0.000 0.000) 10.885 17.815 ( -13.590 0.000 0.000) 13.590 38.088 ( 3.977 -0.000 0.000) 3.977 38.125 ( 0.234 0.000 0.000) 0.234 40.607 ( 0.445 0.000 0.000) 0.445 40.645 ( -3.305 0.000 0.000) 3.305 59.794 ( 0.908 0.000 0.000) 0.908 59.910 ( -10.593 0.000 0.000) 10.593 ======================= Grid point 221 (64/378) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 0.000 38.260) 38.260 1.026 ( 0.000 0.000 49.536) 49.536 1.523 ( 0.000 0.000 72.977) 72.977 4.465 ( 0.000 0.000 -4.043) 4.043 5.446 ( 0.000 0.000 -2.182) 2.182 6.377 ( 0.000 0.000 3.616) 3.616 8.925 ( 0.000 0.000 6.938) 6.938 9.636 ( 0.000 0.000 1.397) 1.397 10.188 ( 0.000 0.000 -1.391) 1.391 11.498 ( 0.000 0.000 0.808) 0.808 12.282 ( 0.000 0.000 4.858) 4.858 13.061 ( 0.000 0.000 -9.445) 9.445 13.922 ( 0.000 0.000 -3.424) 3.424 14.452 ( 0.000 0.000 -7.669) 7.669 15.584 ( 0.000 0.000 6.328) 6.328 17.381 ( 0.000 0.000 -5.649) 5.649 18.535 ( 0.000 0.000 4.302) 4.302 19.715 ( 0.000 0.000 -0.797) 0.797 36.285 ( 0.000 0.000 1.955) 1.955 37.117 ( 0.000 0.000 -2.204) 2.204 40.015 ( 0.000 0.000 4.605) 4.605 42.230 ( 0.000 0.000 -5.858) 5.858 60.971 ( 0.000 0.000 2.869) 2.869 63.071 ( 0.000 0.000 -8.078) 8.078 ======================= Grid point 222 (65/378) ======================= q-point: ( 0.06 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 20.973 0.000 38.930) 44.220 1.259 ( 28.566 0.000 32.872) 43.549 2.043 ( 52.229 0.000 46.699) 70.062 4.702 ( 22.737 0.000 -4.457) 23.170 5.367 ( -4.266 0.000 1.706) 4.594 6.365 ( -1.099 0.000 4.377) 4.513 8.886 ( -3.195 0.000 6.725) 7.445 9.474 ( -12.879 0.000 16.813) 21.179 10.373 ( 17.645 0.000 -1.388) 17.700 11.288 ( -19.811 0.000 22.016) 29.618 11.561 ( 2.139 0.000 8.352) 8.622 13.946 ( 1.827 0.000 -5.988) 6.260 14.197 ( 39.195 0.000 -50.252) 63.730 14.459 ( 1.218 0.000 -5.310) 5.448 15.724 ( 11.520 0.000 4.781) 12.473 17.334 ( -4.652 0.000 -5.350) 7.090 18.082 ( -28.887 0.000 28.931) 40.884 19.676 ( -3.908 0.000 -0.946) 4.021 36.335 ( 5.012 0.000 1.869) 5.349 37.451 ( 20.339 0.000 -19.733) 28.338 40.025 ( 1.003 0.000 4.592) 4.701 42.069 ( -11.003 0.000 2.005) 11.184 60.875 ( -9.581 0.000 2.644) 9.939 61.116 (-106.618 0.000 90.227) 139.672 ======================= Grid point 223 (66/378) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 30.965 0.000 24.438) 39.447 1.831 ( 29.971 0.000 25.549) 39.383 3.265 ( 64.914 0.000 23.669) 69.095 5.283 ( 32.818 0.000 -6.999) 33.556 5.346 ( 2.449 0.000 1.100) 2.685 6.356 ( 1.587 0.000 7.713) 7.875 8.829 ( -2.075 0.000 6.458) 6.784 9.277 ( -5.677 0.000 16.143) 17.112 10.835 ( 27.803 0.000 -1.959) 27.872 11.239 ( 5.075 0.000 0.825) 5.142 11.737 ( 16.337 0.000 9.308) 18.802 13.953 ( -2.119 0.000 -11.556) 11.748 14.535 ( 7.290 0.000 -0.201) 7.292 14.610 ( 9.544 0.000 -37.992) 39.172 15.921 ( 7.084 0.000 10.816) 12.930 17.200 ( -8.825 0.000 -4.428) 9.874 17.652 ( -15.025 0.000 23.953) 28.275 19.562 ( -7.572 0.000 -1.339) 7.689 36.479 ( 9.384 0.000 1.607) 9.521 37.748 ( 10.732 0.000 -15.707) 19.024 40.054 ( 1.938 0.000 4.557) 4.952 41.877 ( -8.728 0.000 0.919) 8.776 59.717 ( -44.583 0.000 59.562) 74.399 60.601 ( -17.745 0.000 2.045) 17.863 ======================= Grid point 224 (67/378) ======================= q-point: ( 0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 29.994 0.000 16.974) 34.464 2.434 ( 34.255 0.000 15.200) 37.476 4.457 ( 50.507 0.000 12.068) 51.929 5.511 ( 17.867 0.000 4.127) 18.337 5.785 ( 11.613 0.000 -10.639) 15.750 6.578 ( 25.524 0.000 12.330) 28.346 8.818 ( 1.275 0.000 6.259) 6.388 9.248 ( 2.386 0.000 8.164) 8.505 11.314 ( 2.050 0.000 -5.652) 6.013 11.429 ( 31.129 0.000 -3.914) 31.374 12.198 ( 28.354 0.000 8.684) 29.654 13.851 ( -7.872 0.000 -12.538) 14.805 14.711 ( 2.001 0.000 -28.987) 29.056 14.750 ( 13.857 0.000 0.658) 13.873 16.015 ( 3.267 0.000 18.318) 18.607 16.991 ( -12.080 0.000 -2.764) 12.393 17.439 ( -7.513 0.000 12.746) 14.796 19.379 ( -10.803 0.000 -1.840) 10.959 36.699 ( 12.608 0.000 1.160) 12.661 37.919 ( 7.212 0.000 -10.087) 12.400 40.101 ( 2.776 0.000 4.506) 5.292 41.706 ( -8.789 0.000 -1.158) 8.865 59.056 ( -25.950 0.000 31.522) 40.829 60.189 ( -23.398 0.000 1.265) 23.432 ======================= Grid point 225 (68/378) ======================= q-point: ( 0.24 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 27.480 0.000 11.719) 29.874 3.110 ( 33.416 0.000 9.650) 34.782 5.062 ( 13.605 0.000 0.748) 13.626 5.804 ( -5.337 0.000 -5.645) 7.768 6.215 ( 49.257 0.000 11.829) 50.657 7.253 ( 37.036 0.000 8.429) 37.983 8.891 ( 6.503 0.000 6.048) 8.881 9.359 ( 8.492 0.000 1.605) 8.643 11.330 ( -0.183 0.000 -7.031) 7.033 12.027 ( 27.991 0.000 -8.980) 29.396 12.790 ( 30.104 0.000 7.140) 30.939 13.665 ( -10.169 0.000 -7.559) 12.671 14.714 ( -1.325 0.000 -21.056) 21.098 15.057 ( 16.437 0.000 -2.510) 16.627 16.085 ( 4.440 0.000 18.860) 19.375 16.730 ( -13.944 0.000 0.013) 13.944 17.327 ( -4.192 0.000 6.111) 7.411 19.137 ( -13.489 0.000 -2.267) 13.679 36.969 ( 14.385 0.000 0.530) 14.395 38.045 ( 5.529 0.000 -6.980) 8.905 40.164 ( 3.550 0.000 4.434) 5.680 41.524 ( -9.626 0.000 -1.809) 9.795 58.615 ( -19.324 0.000 17.393) 25.998 59.695 ( -25.966 0.000 0.525) 25.971 ======================= Grid point 226 (69/378) ======================= q-point: ( 0.29 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 23.873 0.000 8.750) 25.426 3.738 ( 29.511 0.000 6.115) 30.138 5.214 ( 4.111 0.000 -0.812) 4.190 5.651 ( -9.383 0.000 -2.474) 9.703 7.214 ( 48.478 0.000 11.489) 49.820 7.924 ( 29.245 0.000 6.393) 29.936 9.093 ( 14.078 0.000 5.780) 15.219 9.571 ( 12.498 0.000 -3.417) 12.957 11.311 ( -1.611 0.000 -7.832) 7.996 12.473 ( 14.656 0.000 -21.340) 25.888 13.353 ( 26.027 0.000 6.316) 26.782 13.499 ( -4.427 0.000 5.424) 7.001 14.677 ( -1.883 0.000 -13.354) 13.486 15.374 ( 14.650 0.000 -8.338) 16.857 16.203 ( 7.420 0.000 14.214) 16.034 16.455 ( -13.206 0.000 4.991) 14.117 17.265 ( -2.019 0.000 3.330) 3.894 18.848 ( -15.562 0.000 -2.445) 15.753 37.259 ( 14.651 0.000 -0.253) 14.653 38.137 ( 3.718 0.000 -5.320) 6.491 40.242 ( 4.340 0.000 4.313) 6.118 41.326 ( -10.208 0.000 -1.463) 10.312 58.279 ( -14.661 0.000 9.989) 17.740 59.181 ( -25.420 0.000 0.003) 25.420 ======================= Grid point 227 (70/378) ======================= q-point: ( 0.35 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.948 ( 20.167 0.000 7.084) 21.375 4.265 ( 23.431 0.000 3.772) 23.732 5.258 ( 0.477 0.000 -0.599) 0.766 5.446 ( -11.135 0.000 -0.299) 11.139 8.076 ( 37.808 0.000 9.815) 39.061 8.399 ( 19.395 0.000 5.314) 20.110 9.429 ( 18.601 0.000 5.305) 19.343 9.830 ( 12.742 0.000 -6.442) 14.278 11.280 ( -0.913 0.000 -8.880) 8.927 12.527 ( -8.342 0.000 -31.189) 32.286 13.564 ( 10.228 0.000 16.108) 19.080 13.797 ( 18.238 0.000 6.083) 19.226 14.664 ( 1.258 0.000 -8.065) 8.163 15.578 ( 3.674 0.000 -16.599) 17.001 16.258 ( -4.553 0.000 12.778) 13.564 16.364 ( 8.192 0.000 8.829) 12.045 17.255 ( 1.339 0.000 2.542) 2.873 18.525 ( -16.928 0.000 -2.233) 17.074 37.540 ( 13.541 0.000 -1.120) 13.587 38.188 ( 1.292 0.000 -4.396) 4.582 40.336 ( 5.233 0.000 4.080) 6.636 41.123 ( -10.203 0.000 -0.527) 10.217 58.038 ( -9.502 0.000 5.781) 11.122 58.705 ( -22.171 0.000 -0.197) 22.171 ======================= Grid point 228 (71/378) ======================= q-point: ( 0.41 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( 16.988 0.000 5.951) 18.000 4.657 ( 15.910 0.000 2.365) 16.085 5.218 ( -11.494 0.000 1.403) 11.579 5.236 ( -2.606 0.000 -0.185) 2.613 8.685 ( 23.070 0.000 7.796) 24.351 8.726 ( 14.118 0.000 4.585) 14.843 9.771 ( 14.715 0.000 4.314) 15.334 10.033 ( 6.694 0.000 -5.791) 8.852 11.315 ( 5.673 0.000 -11.755) 13.052 12.247 ( -17.837 0.000 -27.406) 32.700 13.805 ( 12.275 0.000 13.499) 18.246 14.057 ( 7.777 0.000 6.655) 10.236 14.748 ( 7.498 0.000 -6.190) 9.723 15.485 ( -11.066 0.000 -14.881) 18.545 16.302 ( 6.840 0.000 11.155) 13.085 16.496 ( 4.427 0.000 5.316) 6.918 17.337 ( 7.332 0.000 2.165) 7.645 18.184 ( -17.383 0.000 -1.551) 17.452 37.788 ( 11.332 0.000 -1.972) 11.503 38.185 ( -1.716 0.000 -3.812) 4.180 40.450 ( 6.276 0.000 3.645) 7.258 40.926 ( -9.614 0.000 0.687) 9.639 57.909 ( -3.411 0.000 3.213) 4.686 58.316 ( -16.895 0.000 -0.026) 16.895 ======================= Grid point 229 (72/378) ======================= q-point: ( 0.47 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.624 ( 14.174 0.000 4.837) 14.977 4.835 ( -2.669 0.000 3.106) 4.095 5.057 ( 0.053 0.000 1.295) 1.296 5.155 ( -5.534 0.000 0.283) 5.542 8.949 ( 7.477 0.000 4.463) 8.708 8.974 ( 6.076 0.000 5.677) 8.315 9.992 ( 7.610 0.000 2.236) 7.932 10.081 ( -1.436 0.000 -1.626) 2.169 11.524 ( 14.984 0.000 -16.897) 22.584 11.872 ( -19.129 0.000 -22.215) 29.316 14.012 ( 8.137 0.000 10.234) 13.074 14.113 ( -1.617 0.000 8.016) 8.177 14.952 ( 12.557 0.000 -6.949) 14.351 15.223 ( -14.174 0.000 -9.731) 17.193 16.443 ( 6.241 0.000 6.560) 9.054 16.524 ( -1.552 0.000 4.664) 4.915 17.545 ( 13.345 0.000 1.058) 13.387 17.846 ( -16.485 0.000 -0.393) 16.490 37.985 ( 8.379 0.000 -2.714) 8.807 38.118 ( -5.052 0.000 -3.307) 6.038 40.586 ( 7.442 0.000 2.926) 7.996 40.745 ( -8.618 0.000 1.907) 8.826 57.908 ( 3.384 0.000 1.577) 3.734 58.044 ( -10.377 0.000 0.545) 10.391 ======================= Grid point 238 (73/378) ======================= q-point: ( 0.00 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 26.395 27.343) 38.005 1.259 ( 0.000 28.996 31.521) 42.829 2.172 ( 0.000 50.286 55.897) 75.188 4.455 ( 0.000 -1.117 -3.764) 3.926 5.449 ( 0.000 6.022 -0.992) 6.103 6.429 ( 0.000 3.201 8.343) 8.936 8.994 ( 0.000 6.036 -2.683) 6.606 9.587 ( 0.000 -4.606 1.619) 4.882 10.217 ( 0.000 2.608 -1.614) 3.067 11.380 ( 0.000 -12.415 -0.552) 12.427 12.301 ( 0.000 1.940 4.714) 5.098 12.787 ( 0.000 -16.804 -3.871) 17.244 13.899 ( 0.000 -2.322 -3.356) 4.081 14.847 ( 0.000 11.363 -19.657) 22.705 15.571 ( 0.000 -1.016 3.800) 3.934 17.360 ( 0.000 -5.975 13.673) 14.922 17.929 ( 0.000 -11.118 16.574) 19.958 20.297 ( 0.000 18.173 -25.392) 31.225 36.302 ( 0.000 1.707 1.906) 2.558 37.111 ( 0.000 -0.557 -2.143) 2.214 40.596 ( 0.000 30.219 -25.255) 39.382 42.098 ( 0.000 -9.253 1.087) 9.316 59.807 ( 0.000 -18.917 35.681) 40.386 66.631 ( 0.000 144.984 -165.533) 220.049 ======================= Grid point 239 (74/378) ======================= q-point: ( 0.06 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 18.613 24.481 25.518) 39.962 1.562 ( 31.710 22.390 23.824) 45.546 2.481 ( 34.327 39.585 44.287) 68.605 4.686 ( 22.128 -1.675 -4.041) 22.556 5.431 ( -0.996 7.984 -1.616) 8.206 6.405 ( -1.906 3.198 8.851) 9.602 8.956 ( -2.662 5.848 -2.656) 6.952 9.615 ( -0.717 6.616 5.496) 8.630 10.364 ( 15.188 0.307 -0.951) 15.221 11.291 ( -11.852 -8.479 1.911) 14.697 11.692 ( -12.299 15.412 15.320) 24.970 13.442 ( 24.132 -34.534 -14.949) 44.704 13.991 ( 10.059 -4.225 -3.756) 11.538 14.884 ( 2.079 9.598 -22.650) 24.688 15.677 ( 9.744 -3.701 3.825) 11.103 17.302 ( -5.492 -6.352 14.775) 16.994 17.812 ( -10.002 -3.243 13.626) 17.211 20.075 ( -17.027 19.520 -13.679) 29.293 36.352 ( 5.028 1.724 1.841) 5.625 37.301 ( 15.131 -8.416 -6.897) 18.637 40.491 ( -8.393 28.771 -15.019) 33.523 42.004 ( -7.496 -5.383 2.031) 9.449 59.696 ( -10.800 -13.807 34.057) 38.304 64.539 (-145.454 168.266 -53.166) 228.686 ======================= Grid point 240 (75/378) ======================= q-point: ( 0.12 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 27.363 16.251 17.958) 36.542 2.114 ( 25.932 23.599 24.049) 42.518 3.456 ( 57.505 18.984 23.235) 64.862 5.237 ( 28.882 -2.694 -4.087) 29.294 5.456 ( 5.933 8.804 -4.122) 11.389 6.386 ( 1.433 3.087 11.200) 11.705 8.924 ( -0.233 7.316 -3.027) 7.921 9.513 ( -7.402 19.404 12.566) 24.273 10.797 ( 26.396 -3.585 -2.315) 26.739 11.149 ( 0.045 -9.293 -0.680) 9.318 11.790 ( 15.569 5.712 10.240) 19.490 13.666 ( 3.456 -24.502 -12.912) 27.911 14.260 ( 14.921 -11.352 -1.950) 18.849 14.888 ( -1.381 7.361 -23.853) 25.001 15.886 ( 9.802 -3.850 5.705) 11.977 17.161 ( -8.343 -5.861 14.234) 17.509 17.599 ( -10.638 3.593 7.612) 13.566 19.754 ( -14.916 13.239 -5.132) 20.594 36.497 ( 9.392 1.750 1.624) 9.691 37.590 ( 12.988 -11.577 -8.580) 19.399 40.342 ( -5.709 22.037 -3.520) 23.035 41.850 ( -7.913 -2.605 0.250) 8.335 59.409 ( -17.256 -3.016 28.463) 33.422 62.255 ( -83.854 118.185 -2.966) 144.941 ======================= Grid point 241 (76/378) ======================= q-point: ( 0.18 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 29.619 9.221 13.186) 33.708 2.641 ( 27.446 17.361 17.298) 36.795 4.535 ( 45.520 7.573 10.676) 47.365 5.581 ( 17.821 6.553 1.927) 19.085 5.784 ( 13.458 0.130 -8.333) 15.830 6.595 ( 23.787 1.587 13.687) 27.489 8.947 ( 2.467 10.344 -2.341) 10.889 9.406 ( -2.306 15.848 10.935) 19.392 11.104 ( 2.377 -17.976 -6.714) 19.335 11.453 ( 30.223 0.103 -2.948) 30.367 12.216 ( 25.739 1.504 8.935) 27.287 13.674 ( -1.853 -15.148 -11.035) 18.832 14.528 ( 10.152 -15.201 0.549) 18.287 14.875 ( 2.516 7.880 -22.962) 24.407 16.045 ( 6.443 0.396 9.235) 11.267 16.981 ( -9.760 -2.388 10.614) 14.616 17.407 ( -8.494 2.060 4.282) 9.733 19.471 ( -14.103 7.160 -2.941) 16.088 36.717 ( 12.601 1.755 1.231) 12.782 37.811 ( 9.613 -9.084 -7.073) 14.999 40.271 ( -1.756 14.603 1.170) 14.754 41.687 ( -8.583 -1.859 -1.457) 8.902 59.046 ( -18.747 5.152 20.453) 28.219 60.984 ( -50.065 68.208 0.675) 84.613 ======================= Grid point 242 (77/378) ======================= q-point: ( 0.24 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 26.799 5.364 11.143) 29.515 3.200 ( 28.746 9.353 10.335) 31.948 5.075 ( 12.018 1.225 -0.012) 12.081 5.793 ( -3.428 -0.775 -4.956) 6.075 6.306 ( 46.207 8.578 11.268) 48.329 7.240 ( 36.097 -1.931 8.894) 37.226 9.018 ( 4.867 11.741 0.824) 12.736 9.438 ( 5.479 7.999 4.027) 10.499 11.117 ( -0.194 -19.317 -8.216) 20.993 12.060 ( 29.041 2.062 -7.603) 30.090 12.746 ( 26.140 -4.354 8.214) 27.744 13.614 ( -3.407 -5.041 -6.732) 9.074 14.598 ( -1.026 -13.300 -6.431) 14.809 15.067 ( 14.973 4.404 -14.145) 21.063 16.151 ( 4.392 2.535 9.629) 10.883 16.775 ( -10.771 4.463 9.064) 14.768 17.271 ( -5.137 -2.586 2.948) 6.462 19.184 ( -15.008 3.780 -2.446) 15.669 36.986 ( 14.354 1.720 0.657) 14.471 37.977 ( 7.225 -6.097 -5.504) 10.939 40.264 ( 0.872 9.171 2.836) 9.639 41.508 ( -9.535 -1.610 -1.943) 9.863 58.685 ( -17.277 8.840 13.407) 23.588 60.135 ( -37.530 40.715 0.035) 55.374 ======================= Grid point 243 (78/378) ======================= q-point: ( 0.29 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( 22.815 3.408 9.068) 24.786 3.757 ( 26.834 2.364 6.376) 27.683 5.199 ( 2.700 -1.444 -1.676) 3.490 5.664 ( -8.445 1.228 -1.288) 8.631 7.250 ( 45.804 3.430 10.853) 47.197 7.905 ( 29.530 -2.933 6.575) 30.395 9.160 ( 10.002 7.202 3.658) 12.856 9.605 ( 10.674 2.820 -2.641) 11.351 11.107 ( -0.577 -18.090 -9.292) 20.345 12.530 ( 15.721 4.236 -18.051) 24.309 13.179 ( 16.109 -11.750 9.818) 22.226 13.619 ( 7.090 5.625 1.940) 9.256 14.575 ( -0.318 -9.502 -7.717) 12.245 15.379 ( 15.188 2.075 -13.010) 20.105 16.203 ( -0.203 -1.752 5.773) 6.036 16.593 ( -5.900 13.114 12.442) 19.016 17.204 ( -1.618 -4.746 2.347) 5.536 18.874 ( -16.254 2.120 -2.214) 16.541 37.275 ( 14.580 1.622 -0.075) 14.670 38.098 ( 4.892 -3.706 -4.408) 7.556 40.300 ( 2.674 5.506 3.426) 7.015 41.312 ( -10.122 -1.445 -1.534) 10.339 58.374 ( -13.943 10.242 8.428) 19.244 59.461 ( -30.859 26.843 -0.343) 40.902 ======================= Grid point 244 (79/378) ======================= q-point: ( 0.35 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.963 ( 19.293 1.553 7.151) 20.634 4.244 ( 22.004 -1.874 4.297) 22.498 5.211 ( -1.376 -4.046 -1.579) 4.556 5.479 ( -9.969 2.551 1.160) 10.356 8.053 ( 34.153 -2.227 9.440) 35.503 8.388 ( 19.733 -2.392 5.405) 20.599 9.417 ( 15.162 -0.465 4.398) 15.794 9.826 ( 10.694 -1.346 -5.912) 12.293 11.114 ( 1.973 -13.794 -10.831) 17.648 12.594 ( -8.103 4.778 -24.506) 26.250 13.467 ( 15.374 -7.028 12.238) 20.869 13.874 ( 14.585 4.255 6.171) 16.399 14.605 ( 3.636 -5.036 -6.387) 8.909 15.603 ( 4.778 2.578 -17.415) 18.242 16.154 ( -1.506 -4.228 7.870) 9.060 16.574 ( 2.646 14.109 12.059) 18.748 17.213 ( 2.796 -3.394 2.376) 4.998 18.542 ( -17.174 1.438 -1.761) 17.324 37.554 ( 13.405 1.421 -0.914) 13.511 38.168 ( 2.133 -1.900 -3.678) 4.657 40.368 ( 4.153 3.033 3.532) 6.238 41.111 ( -10.081 -1.240 -0.582) 10.173 58.143 ( -9.084 10.942 5.107) 15.110 58.908 ( -24.882 19.809 -0.329) 31.806 ======================= Grid point 245 (80/378) ======================= q-point: ( 0.41 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( 16.152 -0.082 5.452) 17.047 4.620 ( 15.817 -3.636 3.265) 16.554 5.140 ( -6.010 -5.071 -0.571) 7.884 5.286 ( -8.894 2.098 2.452) 9.461 8.569 ( 17.946 -8.368 7.196) 21.068 8.725 ( 14.425 -3.793 5.265) 15.818 9.712 ( 13.508 -5.408 3.643) 14.999 9.990 ( 5.117 -5.457 -4.793) 8.884 11.218 ( 9.036 -7.099 -14.535) 18.529 12.322 ( -17.159 5.980 -20.634) 27.494 13.762 ( 13.215 -3.310 8.425) 16.018 14.103 ( 7.724 2.484 7.368) 10.960 14.730 ( 9.184 -1.124 -5.571) 10.800 15.520 ( -11.045 3.617 -13.786) 18.031 16.230 ( 7.459 -3.786 5.147) 9.821 16.632 ( 2.246 9.913 9.058) 13.615 17.324 ( 8.559 -0.743 2.104) 8.845 18.199 ( -17.285 1.413 -0.841) 17.363 37.799 ( 11.074 1.049 -1.799) 11.268 38.179 ( -1.060 -0.511 -3.101) 3.316 40.464 ( 5.559 1.349 3.276) 6.592 40.917 ( -9.417 -0.925 0.621) 9.483 58.022 ( -3.020 11.565 2.846) 12.287 58.479 ( -18.301 16.157 0.051) 24.412 ======================= Grid point 246 (81/378) ======================= q-point: ( 0.47 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.596 ( 11.398 -2.646 2.944) 12.065 4.835 ( 2.614 -0.354 4.989) 5.643 5.020 ( -1.076 -3.591 1.166) 3.926 5.130 ( -7.472 -2.479 1.453) 8.006 8.814 ( 7.399 -10.931 4.389) 13.910 8.908 ( 3.410 -8.446 6.230) 11.035 9.924 ( 7.439 -7.204 1.558) 10.472 10.025 ( -1.243 -6.360 -0.772) 6.526 11.449 ( 11.901 -4.406 -21.456) 24.928 11.982 ( -14.552 8.683 -14.461) 22.277 13.958 ( 5.762 -3.293 5.268) 8.473 14.182 ( 1.052 3.460 8.859) 9.569 14.960 ( 13.422 1.427 -6.220) 14.862 15.254 ( -14.456 3.451 -8.690) 17.217 16.359 ( 4.042 -4.268 0.434) 5.894 16.654 ( 0.218 8.587 8.934) 12.394 17.541 ( 12.408 -0.217 0.290) 12.413 17.870 ( -15.178 2.343 1.054) 15.394 37.986 ( 7.456 0.201 -2.873) 7.993 38.127 ( -4.000 0.831 -2.266) 4.672 40.587 ( 6.883 0.165 2.622) 7.367 40.741 ( -8.224 -0.387 1.846) 8.437 58.027 ( 3.455 12.175 1.043) 12.698 58.189 ( -10.730 14.356 1.003) 17.951 ======================= Grid point 255 (82/378) ======================= q-point: ( 0.00 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.000 32.056 16.967) 36.269 1.973 ( 0.000 40.280 10.617) 41.656 3.216 ( 0.000 55.075 39.946) 68.036 4.420 ( 0.000 -2.454 -2.978) 3.859 5.624 ( 0.000 8.299 -9.293) 12.459 6.545 ( 0.000 10.921 18.223) 21.245 9.139 ( 0.000 8.358 -5.846) 10.200 9.480 ( 0.000 -5.912 2.038) 6.254 10.269 ( 0.000 2.325 -2.024) 3.083 11.049 ( 0.000 -20.212 -3.979) 20.600 12.355 ( 0.000 3.563 4.300) 5.584 12.450 ( 0.000 -18.717 -0.995) 18.743 13.835 ( 0.000 -4.201 -3.160) 5.256 14.750 ( 0.000 -15.885 -4.995) 16.652 15.515 ( 0.000 -5.552 6.037) 8.202 17.308 ( 0.000 3.769 14.825) 15.297 18.031 ( 0.000 11.960 -1.684) 12.078 20.407 ( 0.000 -2.144 -16.027) 16.170 36.349 ( 0.000 3.124 1.763) 3.587 37.095 ( 0.000 -1.139 -1.966) 2.272 40.962 ( 0.000 10.877 -17.652) 20.734 41.945 ( 0.000 -6.585 0.377) 6.596 59.925 ( 0.000 22.981 15.765) 27.869 67.940 ( 0.000 12.647 -106.068) 106.820 ======================= Grid point 256 (83/378) ======================= q-point: ( 0.06 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 21.638 29.288 15.549) 39.595 2.119 ( 19.440 34.631 10.619) 41.109 3.371 ( 17.122 48.870 34.665) 62.315 4.641 ( 21.214 -2.798 -2.941) 21.599 5.617 ( -0.363 8.376 -9.062) 12.346 6.523 ( -1.898 10.751 17.952) 21.011 9.089 ( -2.645 7.341 -5.415) 9.498 9.644 ( 12.205 -2.129 1.465) 12.476 10.380 ( 11.116 0.221 -2.485) 11.392 11.013 ( -3.961 -17.123 -3.598) 17.939 11.954 ( -13.942 8.533 9.180) 18.748 12.891 ( 20.082 -22.454 -4.582) 30.471 13.896 ( 5.994 -5.659 -2.087) 8.504 14.787 ( 3.089 -14.864 -7.993) 17.157 15.574 ( 5.818 -7.809 5.824) 11.346 17.257 ( -4.850 4.407 15.348) 16.689 17.966 ( -6.276 12.672 -2.150) 14.304 20.250 ( -14.207 0.934 -12.562) 18.987 36.400 ( 5.055 3.134 1.741) 6.197 37.190 ( 8.837 -3.772 -2.681) 9.975 40.881 ( -7.461 12.775 -13.956) 20.338 41.897 ( -4.438 -5.396 -0.116) 6.988 59.847 ( -7.746 23.062 15.162) 28.666 66.594 (-115.063 49.856 -69.753) 143.494 ======================= Grid point 257 (84/378) ======================= q-point: ( 0.12 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 18.571 26.532 10.057) 33.912 2.642 ( 24.501 29.349 17.693) 42.127 3.942 ( 38.951 29.103 20.100) 52.613 5.184 ( 30.831 -2.998 -3.429) 31.166 5.632 ( 2.894 8.001 -7.587) 11.400 6.498 ( 0.630 9.508 17.939) 20.312 9.075 ( 1.328 7.848 -6.107) 10.032 9.810 ( 2.491 8.680 3.440) 9.664 10.657 ( 10.643 -12.954 -5.867) 17.762 10.978 ( 8.383 -4.158 -0.068) 9.358 11.919 ( 9.167 5.475 9.989) 14.621 13.190 ( 10.883 -22.314 -6.381) 25.633 14.053 ( 9.051 -10.328 1.391) 13.803 14.855 ( 3.888 -8.696 -14.165) 17.070 15.730 ( 9.259 -12.445 4.707) 16.210 17.133 ( -7.161 5.588 16.504) 18.838 17.798 ( -10.289 13.446 -3.102) 17.213 19.921 ( -17.662 3.411 -7.278) 19.405 36.545 ( 9.417 3.164 1.636) 10.068 37.405 ( 11.933 -7.181 -3.517) 14.364 40.709 ( -8.801 14.661 -7.216) 18.560 41.784 ( -6.683 -3.936 -1.341) 7.871 59.630 ( -13.703 23.136 13.456) 30.068 64.231 (-110.995 75.418 -26.749) 136.833 ======================= Grid point 258 (85/378) ======================= q-point: ( 0.18 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 22.149 17.575 8.872) 29.635 3.072 ( 20.198 26.189 16.762) 37.078 4.719 ( 32.880 10.254 6.228) 35.000 5.669 ( 13.302 -0.098 -7.840) 15.441 5.857 ( 23.560 9.003 3.323) 25.440 6.639 ( 16.784 3.312 16.594) 23.833 9.139 ( 4.965 8.737 -7.054) 12.278 9.759 ( -5.826 16.664 6.078) 18.670 10.700 ( -0.529 -21.210 -6.650) 22.234 11.444 ( 31.255 -0.277 -2.108) 31.327 12.224 ( 19.347 -2.190 9.163) 21.519 13.358 ( 6.832 -15.812 -6.282) 18.335 14.216 ( 6.556 -14.848 4.616) 16.874 14.964 ( 7.892 0.316 -19.451) 20.994 15.913 ( 8.657 -14.273 3.236) 17.004 16.994 ( -6.358 6.550 17.834) 20.034 17.575 ( -11.799 12.901 -3.835) 17.898 19.575 ( -17.111 2.656 -4.152) 17.807 36.765 ( 12.589 3.175 1.396) 13.058 37.639 ( 11.392 -7.813 -3.552) 14.263 40.557 ( -6.258 13.460 -2.339) 15.026 41.637 ( -8.174 -3.283 -2.220) 9.084 59.324 ( -16.722 22.902 10.999) 30.416 62.361 ( -78.471 65.160 -9.617) 102.450 ======================= Grid point 259 (86/378) ======================= q-point: ( 0.24 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 22.428 9.980 8.833) 26.089 3.467 ( 19.781 17.838 11.994) 29.212 5.101 ( 7.982 0.964 -2.849) 8.530 5.788 ( -0.884 0.629 -1.996) 2.272 6.505 ( 40.570 10.809 9.886) 43.134 7.159 ( 31.753 -6.543 10.150) 33.972 9.256 ( 6.208 10.127 -6.502) 13.541 9.646 ( -4.186 12.149 5.291) 13.897 10.706 ( 1.334 -19.655 -7.678) 21.144 12.076 ( 30.834 -0.369 -5.932) 31.402 12.612 ( 18.352 -10.394 9.486) 23.126 13.486 ( 6.785 -7.225 -4.432) 10.857 14.311 ( 3.704 -12.955 2.867) 13.776 15.174 ( 12.862 3.947 -20.173) 24.248 16.057 ( 5.643 -11.834 2.110) 13.279 16.893 ( -3.769 7.819 18.902) 20.800 17.349 ( -10.446 10.709 -3.882) 15.455 19.240 ( -16.819 1.325 -2.608) 17.071 37.034 ( 14.271 3.119 0.991) 14.641 37.848 ( 9.553 -6.528 -3.128) 11.986 40.465 ( -3.166 10.472 0.336) 10.945 41.463 ( -9.316 -2.982 -2.303) 10.049 58.989 ( -16.580 22.313 8.336) 29.022 61.052 ( -55.480 48.741 -4.241) 73.971 ======================= Grid point 260 (87/378) ======================= q-point: ( 0.29 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( 20.232 5.023 8.784) 22.621 3.854 ( 19.099 8.161 7.602) 22.117 5.161 ( -0.238 -2.588 -3.963) 4.739 5.696 ( -7.287 2.074 2.327) 7.926 7.321 ( 39.109 3.065 9.140) 40.280 7.773 ( 28.519 -11.021 6.997) 31.364 9.357 ( 3.917 11.357 -0.855) 12.044 9.633 ( 2.925 -1.162 -1.202) 3.369 10.761 ( 4.578 -13.597 -9.304) 17.099 12.574 ( 15.488 -1.007 -11.748) 19.465 12.942 ( 17.337 -12.594 10.091) 23.685 13.653 ( 10.430 -1.827 -0.231) 10.592 14.394 ( 5.312 -6.865 -0.700) 8.708 15.444 ( 13.406 2.710 -19.107) 23.498 16.129 ( 1.510 -5.245 2.061) 5.834 16.838 ( -2.201 8.945 17.255) 19.560 17.194 ( -4.230 6.911 -1.714) 8.282 18.905 ( -17.031 0.615 -1.630) 17.120 37.320 ( 14.385 2.947 0.414) 14.690 38.013 ( 7.032 -4.577 -2.599) 8.784 40.429 ( -0.502 7.218 1.704) 7.434 41.271 ( -9.885 -2.718 -1.725) 10.396 58.685 ( -13.719 21.649 5.922) 26.306 60.107 ( -40.915 36.738 -2.242) 55.034 ======================= Grid point 261 (88/378) ======================= q-point: ( 0.35 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.002 ( 17.129 2.070 7.328) 18.746 4.216 ( 17.260 -0.164 5.489) 18.113 5.121 ( -3.485 -5.060 -3.083) 6.874 5.521 ( -10.028 1.608 4.350) 11.049 7.989 ( 27.254 -4.678 8.053) 28.801 8.253 ( 19.764 -12.108 5.695) 23.868 9.447 ( 5.915 3.731 2.718) 7.503 9.719 ( 4.580 -10.744 -4.566) 12.541 10.903 ( 9.997 -4.822 -12.279) 16.552 12.636 ( -6.252 -1.610 -10.310) 12.165 13.341 ( 20.495 -5.893 3.325) 21.583 13.882 ( 11.682 -3.884 3.973) 12.936 14.533 ( 8.833 -0.866 -2.596) 9.247 15.655 ( 5.938 1.614 -18.490) 19.487 16.135 ( 0.578 2.486 3.117) 4.029 16.801 ( -1.154 7.123 12.064) 14.058 17.199 ( 4.382 4.544 2.502) 6.791 18.566 ( -17.196 0.662 -0.606) 17.220 37.594 ( 13.040 2.600 -0.320) 13.300 38.123 ( 3.934 -2.586 -2.068) 5.141 40.442 ( 1.773 4.351 2.326) 5.242 41.076 ( -9.728 -2.343 -0.728) 10.033 58.459 ( -8.797 21.246 3.929) 23.328 59.406 ( -30.306 29.529 -1.091) 42.327 ======================= Grid point 262 (89/378) ======================= q-point: ( 0.41 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.309 ( 13.776 -0.648 4.350) 14.460 4.533 ( 14.737 -4.688 5.540) 16.427 5.031 ( -5.385 -6.159 -1.575) 8.331 5.306 ( -11.555 -0.132 5.491) 12.795 8.387 ( 13.708 -10.321 6.748) 18.438 8.557 ( 10.677 -13.261 5.379) 17.855 9.588 ( 7.542 -6.955 1.720) 10.403 9.793 ( 2.860 -14.206 -2.011) 14.630 11.153 ( 14.650 1.708 -16.943) 22.463 12.422 ( -13.848 3.598 -8.888) 16.844 13.690 ( 14.063 -4.635 -0.011) 14.807 14.080 ( 7.636 -5.595 5.875) 11.141 14.748 ( 12.946 3.907 -3.306) 13.921 15.617 ( -9.037 5.707 -12.293) 16.290 16.206 ( 5.957 1.710 -1.683) 6.422 16.798 ( 0.598 6.310 9.828) 11.695 17.342 ( 9.475 3.373 2.925) 10.474 18.229 ( -16.617 1.408 0.907) 16.701 37.828 ( 10.419 1.990 -1.225) 10.678 38.166 ( 0.466 -0.771 -1.439) 1.698 40.498 ( 3.819 2.039 2.408) 4.954 40.891 ( -8.858 -1.754 0.445) 9.041 58.345 ( -2.479 21.281 2.264) 21.544 58.897 ( -21.202 25.524 -0.051) 33.182 ======================= Grid point 263 (90/378) ======================= q-point: ( 0.47 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( 7.366 -4.096 0.413) 8.439 4.799 ( 11.519 -3.825 7.339) 14.184 4.928 ( -3.259 -5.644 0.570) 6.542 5.070 ( -11.983 -3.213 5.421) 13.539 8.573 ( 5.458 -13.266 4.563) 15.053 8.671 ( 1.505 -15.000 6.499) 16.416 9.707 ( 3.616 -14.712 -0.977) 15.181 9.831 ( 0.930 -12.734 2.140) 12.946 11.432 ( 10.888 3.029 -23.661) 26.221 12.152 ( -10.656 8.341 -4.579) 14.286 13.883 ( 5.122 -5.387 -0.884) 7.486 14.175 ( 2.099 -4.830 6.243) 8.168 15.037 ( 15.540 6.859 -4.369) 17.539 15.366 ( -14.825 7.964 -7.102) 18.266 16.308 ( 3.090 -0.840 -5.731) 6.564 16.811 ( 0.465 7.322 9.982) 12.388 17.551 ( 10.229 1.490 -0.053) 10.337 17.926 ( -12.629 3.145 3.967) 13.606 37.996 ( 5.901 0.907 -2.668) 6.539 38.145 ( -2.153 0.942 -0.194) 2.358 40.591 ( 5.483 0.230 1.902) 5.808 40.730 ( -7.212 -0.819 1.657) 7.445 58.363 ( 3.917 21.735 0.397) 22.089 58.566 ( -11.863 23.438 1.507) 26.312 ======================= Grid point 272 (91/378) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 0.000 30.825 11.322) 32.839 2.734 ( 0.000 37.363 3.205) 37.500 4.220 ( 0.000 45.751 23.436) 51.404 4.357 ( 0.000 -4.236 -1.827) 4.613 5.710 ( 0.000 2.438 -5.307) 5.840 6.875 ( 0.000 21.507 20.573) 29.762 9.279 ( 0.000 4.561 -4.751) 6.586 9.372 ( 0.000 -4.995 2.368) 5.528 10.299 ( 0.000 0.658 -2.318) 2.409 10.675 ( 0.000 -15.999 -6.718) 17.352 12.058 ( 0.000 -21.479 3.261) 21.726 12.434 ( 0.000 4.504 3.688) 5.821 13.742 ( 0.000 -5.215 -2.864) 5.950 14.378 ( 0.000 -20.424 0.733) 20.437 15.362 ( 0.000 -9.620 10.340) 14.123 17.463 ( 0.000 10.481 5.008) 11.616 18.254 ( 0.000 9.999 -3.150) 10.483 20.307 ( 0.000 -6.898 -11.794) 13.663 36.419 ( 0.000 3.976 1.544) 4.265 37.067 ( 0.000 -1.696 -1.698) 2.400 41.104 ( 0.000 4.917 -10.655) 11.734 41.833 ( 0.000 -5.133 -2.665) 5.784 60.569 ( 0.000 42.200 5.885) 42.608 67.655 ( 0.000 -35.072 -63.142) 72.229 ======================= Grid point 273 (92/378) ======================= q-point: ( 0.06 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 23.254 28.577 10.662) 38.354 2.805 ( 8.677 34.626 3.701) 35.888 4.262 ( 5.704 39.244 19.610) 44.240 4.581 ( 20.873 -2.708 -0.930) 21.069 5.712 ( 0.423 3.227 -4.386) 5.461 6.840 ( -3.302 20.493 20.197) 28.962 9.201 ( -2.654 2.946 -3.815) 5.502 9.581 ( 14.654 -4.045 1.236) 15.252 10.337 ( 3.317 -4.184 -4.956) 7.285 10.738 ( 6.731 -9.186 -4.432) 12.220 11.945 ( -6.500 -10.735 6.322) 14.052 12.607 ( 13.027 -5.648 1.253) 14.254 13.780 ( 3.642 -6.031 -1.484) 7.200 14.442 ( 6.399 -18.782 -2.216) 19.966 15.384 ( 2.210 -11.128 10.341) 15.351 17.424 ( -3.737 11.003 5.492) 12.853 18.200 ( -5.362 10.512 -3.442) 12.292 20.193 ( -10.940 -5.446 -10.419) 16.059 36.470 ( 5.074 3.985 1.566) 6.639 37.131 ( 6.232 -2.596 -1.794) 6.985 41.052 ( -5.014 6.025 -9.367) 12.214 41.798 ( -3.427 -4.829 -2.823) 6.560 60.483 ( -8.572 41.370 5.814) 42.647 66.858 ( -73.720 -14.522 -51.537) 91.113 ======================= Grid point 274 (93/378) ======================= q-point: ( 0.12 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 11.455 28.321 4.548) 30.886 3.211 ( 25.655 28.733 11.927) 40.324 4.488 ( 17.505 24.364 10.882) 31.913 5.112 ( 30.436 -4.584 -2.851) 30.911 5.753 ( 5.127 5.919 -0.256) 7.835 6.764 ( -3.616 16.927 19.364) 25.972 9.190 ( 1.206 2.431 -4.700) 5.427 9.849 ( 10.351 -3.562 0.650) 10.966 10.395 ( 1.716 -9.235 -7.372) 11.941 10.974 ( 18.147 1.395 -0.972) 18.226 11.907 ( 3.519 -8.665 8.353) 12.540 12.871 ( 13.247 -9.108 -0.387) 16.080 13.876 ( 5.782 -7.426 1.528) 9.535 14.623 ( 11.504 -14.088 -9.394) 20.472 15.455 ( 5.138 -14.533 10.277) 18.527 17.324 ( -6.088 12.039 6.924) 15.164 18.050 ( -9.540 11.696 -4.117) 15.644 19.912 ( -16.365 -3.254 -7.494) 18.292 36.615 ( 9.443 4.008 1.595) 10.381 37.298 ( 10.140 -4.235 -1.900) 11.152 40.922 ( -7.499 8.033 -6.446) 12.740 41.703 ( -6.019 -4.353 -3.125) 8.058 60.243 ( -15.208 39.109 5.576) 42.331 65.101 ( -95.120 16.981 -30.840) 101.426 ======================= Grid point 275 (94/378) ======================= q-point: ( 0.18 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 13.966 21.132 4.226) 25.680 3.618 ( 15.465 29.233 14.824) 36.242 4.880 ( 17.733 4.885 -1.283) 18.438 5.637 ( 18.426 -1.579 -4.752) 19.095 6.033 ( 26.000 6.976 7.720) 28.005 6.748 ( 4.182 8.379 17.603) 19.939 9.236 ( 3.203 -0.834 -4.985) 5.984 9.950 ( -0.320 3.004 -2.997) 4.255 10.411 ( 1.224 -5.683 -2.733) 6.424 11.454 ( 28.914 1.081 -1.982) 29.002 12.068 ( 11.529 -14.516 8.511) 20.398 13.128 ( 12.719 -6.866 -0.859) 14.480 14.003 ( 6.998 -6.645 3.351) 10.215 14.880 ( 13.952 -8.775 -16.390) 23.244 15.591 ( 8.617 -16.423 9.544) 20.858 17.197 ( -6.413 12.356 9.154) 16.661 17.836 ( -11.636 12.963 -4.673) 18.035 19.573 ( -17.451 -2.370 -4.732) 18.236 36.836 ( 12.572 4.016 1.561) 13.290 37.516 ( 11.402 -5.111 -1.792) 12.623 40.773 ( -7.210 8.911 -3.488) 11.981 41.564 ( -7.871 -4.076 -3.185) 9.419 59.902 ( -18.617 35.995 5.129) 40.847 63.313 ( -82.638 31.344 -16.262) 89.866 ======================= Grid point 276 (95/378) ======================= q-point: ( 0.24 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 15.532 13.537 5.086) 21.222 3.869 ( 10.861 22.937 13.080) 28.551 5.089 ( 4.081 -2.562 -6.481) 8.077 5.834 ( 1.591 4.447 3.071) 5.634 6.666 ( 34.631 3.261 7.778) 35.643 7.013 ( 22.070 -6.452 11.574) 25.742 9.304 ( 3.294 -6.987 -4.206) 8.795 9.862 ( -7.249 10.319 -3.411) 13.064 10.488 ( 6.765 -1.491 -2.685) 7.430 12.049 ( 28.807 -2.817 -4.463) 29.286 12.324 ( 14.346 -18.193 9.010) 24.859 13.371 ( 11.551 -4.514 -0.866) 12.431 14.157 ( 8.674 -2.693 2.701) 9.476 15.160 ( 14.009 -5.881 -19.573) 24.778 15.792 ( 11.378 -13.195 6.955) 18.760 17.078 ( -5.474 10.884 11.412) 16.693 17.607 ( -10.904 14.050 -4.298) 18.297 19.229 ( -17.200 -2.221 -2.626) 17.540 37.103 ( 14.155 3.948 1.399) 14.762 37.737 ( 10.710 -4.858 -1.464) 11.851 40.647 ( -5.392 8.159 -1.246) 9.859 41.395 ( -9.087 -3.891 -2.792) 10.271 59.529 ( -18.472 32.697 4.479) 37.821 61.866 ( -63.560 32.688 -8.552) 71.983 ======================= Grid point 277 (96/378) ======================= q-point: ( 0.29 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.745 ( 15.355 6.939 6.219) 17.961 4.070 ( 9.679 13.528 9.809) 19.310 5.097 ( -2.258 -3.850 -5.751) 7.280 5.748 ( -8.570 3.346 7.303) 11.746 7.335 ( 31.442 -3.287 6.599) 32.294 7.504 ( 24.775 -14.675 7.034) 29.642 9.358 ( 2.093 -13.498 -2.648) 13.913 9.709 ( -7.360 11.339 -1.381) 13.589 10.675 ( 11.945 4.266 -7.005) 14.489 12.430 ( 9.465 -14.307 1.722) 17.240 12.737 ( 26.324 -7.595 0.025) 27.398 13.577 ( 9.229 -5.438 -0.284) 10.716 14.351 ( 10.989 2.450 0.891) 11.294 15.426 ( 12.577 -4.818 -18.871) 23.184 16.024 ( 11.431 -5.383 2.555) 12.891 16.975 ( -5.127 7.935 11.533) 14.909 17.431 ( -6.165 14.128 -1.361) 15.474 18.892 ( -16.851 -1.876 -0.900) 16.978 37.386 ( 14.109 3.736 1.070) 14.634 37.931 ( 8.657 -3.816 -1.003) 9.513 40.563 ( -3.052 6.369 0.250) 7.066 41.209 ( -9.555 -3.620 -1.982) 10.408 59.190 ( -15.240 29.772 3.698) 33.650 60.776 ( -47.152 30.063 -4.523) 56.103 ======================= Grid point 278 (97/378) ======================= q-point: ( 0.35 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.035 ( 13.736 1.662 6.469) 15.274 4.261 ( 9.834 4.706 7.297) 13.119 5.021 ( -5.095 -4.977 -3.897) 8.119 5.537 ( -12.214 -0.087 8.680) 14.985 7.864 ( 21.083 -8.691 5.691) 23.504 7.941 ( 18.957 -18.406 5.389) 26.967 9.386 ( 0.774 -16.380 -2.072) 16.529 9.597 ( -3.445 5.980 1.259) 7.015 10.950 ( 15.492 8.345 -11.765) 21.167 12.521 ( 0.199 -9.695 2.279) 9.962 13.225 ( 21.534 -6.717 -5.046) 23.115 13.747 ( 8.221 -8.893 1.837) 12.249 14.592 ( 13.423 6.709 -0.668) 15.021 15.637 ( 7.945 -3.211 -16.173) 18.303 16.213 ( 6.911 3.526 -2.497) 8.151 16.888 ( -2.728 5.332 9.353) 11.106 17.378 ( 0.799 11.254 3.395) 11.782 18.562 ( -16.385 -0.985 0.868) 16.438 37.652 ( 12.538 3.311 0.544) 12.979 38.074 ( 5.636 -2.390 -0.449) 6.139 40.527 ( -0.604 4.208 1.136) 4.400 41.022 ( -9.189 -3.133 -0.916) 9.752 58.940 ( -9.729 27.555 2.842) 29.360 59.976 ( -34.089 27.572 -2.111) 43.894 ======================= Grid point 279 (98/378) ======================= q-point: ( 0.41 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.278 ( 10.510 -2.581 4.069) 11.562 4.469 ( 11.303 -1.440 7.310) 13.538 4.906 ( -6.144 -6.427 -1.839) 9.079 5.279 ( -13.531 -2.665 9.354) 16.664 8.169 ( 10.615 -12.204 5.268) 17.011 8.237 ( 10.351 -18.757 4.897) 21.976 9.395 ( 0.370 -14.838 -3.002) 15.143 9.573 ( 0.529 -4.138 4.200) 5.920 11.271 ( 16.201 9.316 -16.432) 24.885 12.447 ( -7.082 -1.206 0.785) 7.227 13.564 ( 12.638 -8.423 -6.391) 16.477 13.905 ( 7.299 -11.179 3.870) 13.901 14.883 ( 15.831 9.309 -2.095) 18.484 15.696 ( -3.022 1.501 -11.640) 12.119 16.298 ( 2.631 7.011 -7.299) 10.457 16.890 ( 2.366 4.685 7.863) 9.454 17.451 ( 6.137 6.811 4.932) 10.411 18.248 ( -15.198 0.437 3.127) 15.523 37.874 ( 9.609 2.619 -0.244) 9.962 38.151 ( 2.081 -0.866 0.283) 2.272 40.539 ( 1.804 2.096 1.477) 3.135 40.850 ( -8.024 -2.348 0.214) 8.364 58.815 ( -2.775 26.164 1.861) 26.377 59.411 ( -23.248 26.087 -0.348) 34.945 ======================= Grid point 280 (99/378) ======================= q-point: ( 0.47 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.441 ( 5.246 -4.998 0.505) 7.264 4.690 ( 8.396 -6.992 6.300) 12.613 4.813 ( -0.209 -5.835 2.056) 6.190 5.011 ( -13.031 -3.051 10.165) 16.806 8.311 ( 3.921 -13.953 4.648) 15.221 8.353 ( 2.033 -17.415 5.274) 18.309 9.405 ( 0.441 -14.564 -3.245) 14.928 9.591 ( 0.715 -10.447 5.361) 11.764 11.546 ( 9.451 7.793 -22.001) 25.181 12.290 ( -6.573 5.281 2.677) 8.847 13.730 ( 4.190 -10.027 -5.415) 12.142 14.010 ( 2.807 -11.213 3.845) 12.182 15.206 ( 15.952 9.459 -4.053) 18.984 15.528 ( -12.442 7.359 -6.973) 16.049 16.341 ( 1.422 4.852 -10.247) 11.427 16.938 ( 1.568 5.981 7.350) 9.605 17.598 ( 7.261 3.164 2.182) 8.215 17.982 ( -10.196 2.350 6.837) 12.499 38.021 ( 4.724 1.662 -1.643) 5.270 38.160 ( -0.695 0.555 1.618) 1.846 40.596 ( 3.787 0.231 1.146) 3.963 40.710 ( -5.920 -1.199 1.350) 6.189 58.832 ( 4.145 25.569 0.259) 25.904 59.051 ( -12.777 25.409 1.595) 28.485 ======================= Grid point 289 (100/378) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 0.000 26.485 7.849) 27.623 3.404 ( 0.000 31.688 0.164) 31.688 4.253 ( 0.000 -6.550 -0.477) 6.568 4.812 ( 0.000 11.038 -0.828) 11.069 5.891 ( 0.000 20.261 15.814) 25.702 7.293 ( 0.000 19.713 17.925) 26.644 9.260 ( 0.000 -6.688 -2.026) 6.988 9.292 ( 0.000 -3.185 2.531) 4.069 10.296 ( 0.000 -0.738 -2.429) 2.538 10.507 ( 0.000 -0.983 -7.529) 7.593 11.642 ( 0.000 -20.452 6.291) 21.398 12.522 ( 0.000 4.371 3.025) 5.316 13.641 ( 0.000 -4.977 -2.527) 5.582 14.009 ( 0.000 -16.876 0.812) 16.896 15.166 ( 0.000 -10.040 13.320) 16.680 17.668 ( 0.000 9.987 0.533) 10.001 18.402 ( 0.000 5.225 -3.344) 6.203 20.172 ( 0.000 -6.497 -10.417) 12.277 36.498 ( 0.000 3.973 1.282) 4.175 37.031 ( 0.000 -2.009 -1.383) 2.439 41.177 ( 0.000 2.931 -7.188) 7.763 41.743 ( 0.000 -4.108 -5.125) 6.568 61.526 ( 0.000 55.809 -1.364) 55.825 66.740 ( 0.000 -56.776 -41.046) 70.059 ======================= Grid point 290 (101/378) ======================= q-point: ( 0.06 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 21.943 25.091 7.349) 34.133 3.434 ( 3.875 30.037 0.430) 30.289 4.460 ( 19.836 -5.680 -0.610) 20.642 4.800 ( -0.756 8.760 -1.381) 8.900 5.896 ( 0.742 18.787 15.680) 24.481 7.238 ( -5.308 18.866 17.656) 26.378 9.175 ( -3.438 -5.701 -1.737) 6.881 9.476 ( 12.619 -6.259 2.212) 14.258 10.312 ( 2.037 3.080 -6.065) 7.100 10.642 ( 12.788 -2.195 -4.240) 13.650 11.622 ( -1.492 -19.091 7.058) 20.409 12.606 ( 7.984 2.883 2.638) 8.889 13.675 ( 3.455 -4.525 -1.382) 5.859 14.100 ( 8.853 -15.990 -2.089) 18.396 15.167 ( 0.366 -10.612 13.732) 17.359 17.636 ( -3.144 10.143 0.894) 10.657 18.358 ( -4.350 5.775 -3.606) 8.079 20.077 ( -9.258 -5.833 -9.647) 14.588 36.549 ( 5.094 3.986 1.341) 6.606 37.084 ( 5.241 -2.342 -1.338) 5.894 41.140 ( -3.581 3.504 -6.674) 8.345 41.711 ( -3.188 -4.068 -5.025) 7.208 61.416 ( -10.870 54.197 -1.119) 55.288 66.243 ( -47.566 -45.329 -36.489) 75.158 ======================= Grid point 291 (102/378) ======================= q-point: ( 0.12 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( 7.245 26.040 1.135) 27.053 3.734 ( 26.644 24.769 7.550) 37.154 4.776 ( 2.340 3.775 -3.502) 5.656 5.006 ( 30.369 -5.902 -1.436) 30.971 5.939 ( 4.298 13.894 15.686) 21.391 7.098 ( -8.262 16.201 16.858) 24.798 9.120 ( -2.242 -9.096 -2.162) 9.615 9.750 ( 14.075 -4.491 1.365) 14.838 10.372 ( 3.352 5.403 -7.685) 9.975 10.986 ( 21.376 -0.689 -1.878) 21.469 11.618 ( 1.945 -18.090 8.134) 19.929 12.812 ( 12.159 0.711 2.185) 12.374 13.781 ( 7.261 -2.247 -0.132) 7.602 14.339 ( 14.686 -14.543 -8.494) 22.345 15.197 ( 3.241 -11.681 14.889) 19.200 17.548 ( -5.541 10.439 1.991) 11.985 18.235 ( -7.956 7.253 -4.281) 11.586 19.829 ( -15.040 -4.633 -7.689) 17.516 36.695 ( 9.469 4.018 1.485) 10.393 37.229 ( 9.151 -3.030 -1.178) 9.711 41.043 ( -6.034 4.747 -5.343) 9.354 41.620 ( -5.856 -4.039 -4.713) 8.533 61.113 ( -19.149 49.851 -0.474) 53.404 65.021 ( -71.208 -21.931 -26.544) 79.096 ======================= Grid point 292 (103/378) ======================= q-point: ( 0.18 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( 7.305 21.164 0.522) 22.396 4.172 ( 14.023 27.000 11.193) 32.418 4.872 ( 7.979 -5.392 -7.119) 11.976 5.630 ( 28.694 0.339 -1.443) 28.732 6.106 ( 14.029 1.183 15.311) 20.800 6.948 ( -5.282 11.097 15.042) 19.424 9.082 ( -1.606 -12.746 -1.808) 12.974 9.992 ( 8.938 2.704 -3.211) 9.875 10.432 ( 3.514 5.097 -3.199) 6.969 11.466 ( 26.161 -0.379 -1.968) 26.237 11.721 ( 8.811 -18.541 8.121) 22.076 13.063 ( 12.551 -1.445 2.021) 12.794 13.959 ( 10.659 1.869 -0.326) 10.827 14.654 ( 16.414 -13.384 -14.881) 25.885 15.321 ( 9.691 -11.409 15.371) 21.456 17.425 ( -6.720 10.513 3.773) 13.035 18.053 ( -10.043 9.134 -4.998) 14.466 19.507 ( -17.002 -3.906 -5.220) 18.209 36.915 ( 12.558 4.039 1.641) 13.294 37.433 ( 11.118 -3.514 -0.869) 11.692 40.912 ( -6.847 5.707 -3.660) 9.635 41.484 ( -7.802 -4.085 -4.147) 9.734 60.686 ( -23.244 43.948 0.345) 49.718 63.580 ( -71.306 -2.454 -17.011) 73.349 ======================= Grid point 293 (104/378) ======================= q-point: ( 0.24 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.718 ( 8.968 15.166 1.325) 17.669 4.312 ( 2.508 20.675 10.382) 23.270 5.017 ( 4.593 -3.074 -5.173) 7.570 5.953 ( 1.993 6.960 7.102) 10.142 6.545 ( 28.248 -13.606 7.732) 32.293 6.990 ( 11.443 2.237 10.171) 15.472 9.058 ( -0.789 -14.821 -1.071) 14.881 10.045 ( -3.501 7.391 -4.971) 9.571 10.576 ( 11.491 8.208 -1.259) 14.177 11.877 ( 13.157 -15.601 5.090) 21.034 12.065 ( 26.718 -5.866 -0.311) 27.356 13.290 ( 10.003 -4.382 1.404) 11.010 14.196 ( 13.097 6.143 -1.210) 14.517 14.976 ( 16.112 -11.505 -17.047) 26.126 15.580 ( 15.898 -8.946 11.649) 21.644 17.290 ( -6.693 10.346 5.825) 13.630 17.851 ( -9.996 10.553 -5.006) 15.374 19.169 ( -16.874 -3.542 -2.683) 17.449 37.182 ( 14.031 3.987 1.728) 14.689 37.657 ( 11.179 -3.483 -0.425) 11.716 40.781 ( -6.214 5.777 -2.035) 8.726 41.316 ( -8.949 -4.094 -3.303) 10.381 60.221 ( -22.925 37.756 1.098) 44.185 62.269 ( -60.123 8.729 -10.163) 61.597 ======================= Grid point 294 (105/378) ======================= q-point: ( 0.29 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( 9.533 9.310 2.597) 13.576 4.336 ( 0.747 12.008 8.870) 14.947 5.037 ( -2.156 -0.714 -2.681) 3.513 5.812 ( -13.051 2.239 11.998) 17.869 7.101 ( 26.346 -16.159 4.022) 31.167 7.334 ( 19.993 -5.922 5.823) 21.650 9.053 ( 0.342 -14.976 -0.305) 14.983 9.912 ( -8.589 8.010 -1.513) 11.841 10.850 ( 15.274 11.757 -5.413) 20.020 12.119 ( 11.474 -14.839 6.747) 19.934 12.597 ( 25.518 -8.213 -3.495) 27.034 13.457 ( 7.171 -6.477 0.024) 9.663 14.472 ( 14.547 9.282 -1.891) 17.360 15.288 ( 14.957 -8.470 -15.894) 23.410 15.916 ( 17.165 -5.719 4.928) 18.752 17.165 ( -5.848 10.871 6.951) 14.167 17.673 ( -7.512 10.237 -3.092) 13.069 18.842 ( -16.099 -2.960 -0.147) 16.369 37.460 ( 13.803 3.784 1.681) 14.411 37.866 ( 9.635 -2.942 0.117) 10.075 40.673 ( -4.611 4.955 -0.695) 6.804 41.135 ( -9.205 -3.903 -2.239) 10.246 59.801 ( -18.956 32.204 1.619) 37.404 61.213 ( -46.492 14.310 -5.666) 48.974 ======================= Grid point 295 (106/378) ======================= q-point: ( 0.35 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.084 ( 8.404 3.676 3.947) 9.986 4.367 ( 2.963 4.951 7.774) 9.681 4.949 ( -6.434 -1.524 -1.360) 6.750 5.513 ( -16.016 -2.662 13.115) 20.872 7.558 ( 19.423 -17.537 3.091) 26.351 7.695 ( 15.402 -10.583 4.115) 19.135 9.075 ( 1.965 -13.356 0.103) 13.500 9.736 ( -8.655 6.766 1.462) 11.082 11.162 ( 15.916 11.905 -9.540) 22.047 12.309 ( 7.027 -10.216 6.341) 13.927 13.046 ( 19.333 -12.525 -5.200) 23.615 13.589 ( 6.532 -6.218 -0.907) 9.064 14.768 ( 15.301 10.680 -2.599) 18.840 15.546 ( 10.442 -5.950 -14.059) 18.496 16.227 ( 13.487 -1.613 -1.934) 13.720 17.067 ( -3.693 12.370 5.951) 14.215 17.568 ( -2.890 7.448 1.414) 8.113 18.532 ( -15.141 -1.913 2.529) 15.470 37.718 ( 11.996 3.364 1.447) 12.542 38.031 ( 6.867 -2.044 0.736) 7.203 40.602 ( -2.444 3.551 0.260) 4.319 40.958 ( -8.537 -3.395 -1.089) 9.252 59.487 ( -12.454 27.791 1.813) 30.508 60.420 ( -33.911 17.278 -2.670) 38.152 ======================= Grid point 296 (107/378) ======================= q-point: ( 0.41 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.228 ( 6.246 -2.018 4.578) 8.003 4.466 ( 6.688 0.331 6.808) 9.549 4.799 ( -8.002 -3.996 0.455) 8.956 5.205 ( -14.684 -4.949 12.980) 20.214 7.863 ( 11.346 -17.612 2.957) 21.158 7.930 ( 8.321 -13.253 3.543) 16.045 9.132 ( 3.747 -9.927 -0.270) 10.614 9.579 ( -7.137 2.964 3.794) 8.609 11.468 ( 14.473 9.876 -13.286) 21.988 12.376 ( -0.316 -5.527 5.415) 7.744 13.358 ( 12.319 -12.928 -6.395) 18.968 13.713 ( 5.441 -7.079 -0.257) 8.933 15.075 ( 15.475 9.768 -3.918) 18.715 15.672 ( 1.684 -3.540 -11.475) 12.126 16.428 ( 6.592 5.438 -7.965) 11.682 17.033 ( 0.220 10.367 3.557) 10.963 17.566 ( 2.751 4.332 6.061) 7.942 18.245 ( -13.689 -0.609 5.545) 14.782 37.926 ( 8.827 2.717 0.941) 9.283 38.133 ( 3.353 -0.978 1.488) 3.797 40.578 ( -0.011 1.903 0.759) 2.049 40.802 ( -7.032 -2.526 -0.011) 7.472 59.318 ( -4.511 24.645 1.588) 25.105 59.859 ( -22.960 19.159 -0.537) 29.909 ======================= Grid point 297 (108/378) ======================= q-point: ( 0.47 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.343 ( 5.066 -4.752 3.259) 7.672 4.548 ( -1.909 -7.141 4.003) 8.405 4.721 ( 3.989 -3.326 5.633) 7.661 4.945 ( -10.971 -3.912 12.549) 17.122 8.013 ( 3.955 -16.617 3.080) 17.356 8.031 ( 2.127 -14.923 3.385) 15.449 9.209 ( 3.126 -4.835 -2.027) 6.104 9.463 ( -3.962 -2.832 6.367) 8.016 11.700 ( 7.417 7.406 -17.419) 20.329 12.328 ( -2.861 -1.959 6.510) 7.376 13.532 ( 4.814 -9.250 -7.611) 12.910 13.785 ( 1.671 -10.764 1.424) 10.986 15.365 ( 12.917 6.387 -6.005) 15.611 15.610 ( -7.183 0.972 -8.322) 11.037 16.505 ( 1.714 11.477 -11.303) 16.199 17.051 ( 0.850 5.584 1.776) 5.921 17.661 ( 5.408 3.098 6.546) 9.039 18.009 ( -8.833 0.356 9.257) 12.800 38.057 ( 3.975 1.995 -0.108) 4.449 38.165 ( 0.230 -0.021 2.652) 2.662 40.601 ( 2.203 0.287 0.630) 2.309 40.685 ( -4.627 -1.346 0.968) 4.915 59.310 ( 3.393 22.654 0.550) 22.914 59.505 ( -12.475 20.511 1.402) 24.047 ======================= Grid point 306 (109/378) ======================= q-point: ( 0.00 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 0.000 19.005 5.505) 19.786 3.960 ( 0.000 25.727 -1.875) 25.796 4.105 ( 0.000 -8.303 0.897) 8.352 4.746 ( 0.000 -12.653 -8.570) 15.283 6.371 ( 0.000 22.919 23.931) 33.136 7.588 ( 0.000 10.025 14.998) 18.040 9.087 ( 0.000 -8.723 0.606) 8.744 9.248 ( 0.000 -1.405 2.573) 2.931 10.278 ( 0.000 -0.932 -2.426) 2.599 10.570 ( 0.000 4.963 -6.832) 8.445 11.309 ( 0.000 -12.842 8.120) 15.193 12.594 ( 0.000 2.824 2.501) 3.773 13.560 ( 0.000 -3.173 -2.240) 3.884 13.746 ( 0.000 -9.739 -1.229) 9.816 14.999 ( 0.000 -6.549 15.479) 16.807 17.828 ( 0.000 6.118 -0.812) 6.172 18.463 ( 0.000 1.459 -3.870) 4.136 20.071 ( 0.000 -3.651 -9.996) 10.642 36.565 ( 0.000 2.711 1.043) 2.904 36.994 ( 0.000 -1.581 -1.104) 1.928 41.222 ( 0.000 1.668 -5.487) 5.735 41.677 ( 0.000 -2.508 -6.811) 7.258 62.693 ( 0.000 63.061 -8.246) 63.598 65.539 ( 0.000 -64.912 -28.076) 70.724 ======================= Grid point 307 (110/378) ======================= q-point: ( 0.06 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( 20.635 17.913 5.051) 27.788 3.963 ( 1.031 24.473 -1.853) 24.564 4.327 ( 21.131 -7.393 0.699) 22.398 4.728 ( -1.714 -12.143 -8.426) 14.879 6.326 ( -4.177 20.300 23.637) 31.436 7.524 ( -6.292 9.928 14.864) 18.950 9.021 ( -4.975 -8.060 0.553) 9.488 9.386 ( 12.291 -2.747 2.628) 12.865 10.408 ( 10.138 4.782 -4.044) 11.916 10.624 ( 7.149 0.011 -5.581) 9.070 11.299 ( -0.546 -12.555 8.609) 15.233 12.663 ( 6.609 2.353 2.428) 7.423 13.616 ( 5.768 -1.317 -1.936) 6.225 13.839 ( 9.020 -10.477 -3.598) 14.286 14.995 ( -0.148 -6.643 16.252) 17.558 17.797 ( -3.082 6.076 -0.536) 6.834 18.429 ( -3.398 1.862 -4.074) 5.622 19.985 ( -8.487 -3.383 -9.463) 13.153 36.616 ( 5.124 2.728 1.124) 5.913 37.043 ( 4.861 -1.702 -1.011) 5.249 41.193 ( -2.831 1.936 -5.238) 6.261 41.645 ( -3.217 -2.545 -6.586) 7.759 62.542 ( -14.885 60.385 -7.667) 62.663 65.214 ( -31.541 -58.061 -25.919) 70.977 ======================= Grid point 308 (111/378) ======================= q-point: ( 0.12 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( 6.527 21.085 -0.486) 22.078 4.152 ( 25.111 17.742 3.384) 30.932 4.671 ( -1.415 -11.718 -8.156) 14.347 4.900 ( 32.822 -5.488 0.301) 33.279 6.223 ( -5.755 12.757 22.648) 26.623 7.352 ( -10.560 9.338 14.335) 20.105 8.923 ( -4.533 -8.995 0.793) 10.104 9.693 ( 17.709 -1.715 2.197) 17.927 10.522 ( 1.794 8.065 -7.487) 11.150 10.945 ( 23.234 -3.190 -2.379) 23.572 11.312 ( 2.545 -11.654 9.232) 15.084 12.836 ( 10.222 1.049 2.560) 10.589 13.787 ( 11.365 2.729 -2.838) 12.028 14.082 ( 14.853 -11.513 -8.864) 20.778 15.015 ( 2.960 -6.810 18.461) 19.898 17.711 ( -5.508 5.976 0.329) 8.134 18.332 ( -6.346 2.953 -4.665) 8.411 19.753 ( -14.323 -2.876 -7.958) 16.636 36.763 ( 9.514 2.773 1.338) 10.000 37.180 ( 8.710 -1.970 -0.740) 8.961 41.113 ( -5.067 2.582 -4.535) 7.274 41.553 ( -5.977 -2.678 -5.945) 8.845 62.129 ( -25.913 53.294 -6.123) 59.575 64.371 ( -51.022 -41.935 -20.671) 69.203 ======================= Grid point 309 (112/378) ======================= q-point: ( 0.18 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( 2.607 18.869 -1.637) 19.118 4.555 ( 1.663 2.826 -2.552) 4.155 4.776 ( 21.395 4.871 1.031) 21.967 5.606 ( 36.436 -3.430 -0.209) 36.597 6.115 ( -4.785 0.436 20.679) 21.229 7.134 ( -10.349 7.218 12.944) 18.076 8.850 ( -2.694 -9.419 1.405) 9.897 10.025 ( 13.135 0.322 0.531) 13.149 10.552 ( 3.591 6.017 -5.912) 9.168 11.397 ( 11.747 -7.937 6.371) 15.543 11.472 ( 23.146 -4.394 -0.097) 23.560 13.039 ( 9.678 -1.102 2.901) 10.164 14.052 ( 14.856 6.928 -5.566) 17.311 14.404 ( 17.262 -11.688 -13.544) 24.860 15.145 ( 10.750 -6.624 19.822) 23.503 17.587 ( -6.690 5.951 1.865) 9.146 18.184 ( -8.442 4.322 -5.545) 10.986 19.441 ( -16.695 -2.566 -5.674) 17.819 36.984 ( 12.576 2.823 1.619) 12.990 37.378 ( 10.932 -2.191 -0.317) 11.154 40.999 ( -6.292 3.228 -3.506) 7.893 41.414 ( -7.957 -2.896 -4.965) 9.816 61.555 ( -31.012 43.942 -4.076) 53.938 63.293 ( -55.689 -24.636 -14.670) 62.637 ======================= Grid point 310 (113/378) ======================= q-point: ( 0.24 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.011 ( 3.884 14.654 -1.035) 15.195 4.509 ( -3.487 -2.641 -3.289) 5.473 5.122 ( 9.488 15.841 6.988) 19.743 6.003 ( -6.767 -7.300 15.775) 18.654 6.306 ( 31.989 -4.989 1.586) 32.415 7.018 ( 1.004 0.183 9.358) 9.413 8.819 ( -0.424 -8.806 2.147) 9.073 10.119 ( -2.738 0.627 -1.627) 3.246 10.749 ( 15.153 8.258 -3.088) 17.531 11.626 ( 13.844 -8.495 7.202) 17.768 11.975 ( 24.321 -4.153 -2.819) 24.834 13.207 ( 7.328 -3.656 2.188) 8.477 14.360 ( 15.990 9.776 -7.606) 20.227 14.759 ( 18.432 -10.428 -13.820) 25.288 15.436 ( 17.843 -5.755 15.673) 24.437 17.457 ( -6.128 6.370 4.091) 9.739 18.004 ( -9.457 5.208 -6.427) 12.565 19.108 ( -16.587 -2.424 -2.777) 16.991 37.250 ( 13.952 2.828 1.889) 14.360 37.601 ( 11.372 -2.212 0.211) 11.587 40.872 ( -6.374 3.512 -2.329) 7.641 41.244 ( -8.972 -3.080 -3.756) 10.203 60.940 ( -30.266 34.475 -2.016) 45.920 62.232 ( -50.248 -10.881 -9.474) 52.278 ======================= Grid point 311 (114/378) ======================= q-point: ( 0.29 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( 4.645 10.403 -0.225) 11.395 4.439 ( -3.263 -2.191 -0.142) 3.933 5.157 ( -4.284 13.722 8.708) 16.807 5.770 ( -16.157 -8.272 15.698) 23.998 6.878 ( 25.296 -4.755 1.135) 25.764 7.190 ( 14.155 -8.829 4.489) 17.277 8.834 ( 2.058 -7.160 2.788) 7.955 10.002 ( -7.810 1.654 -0.752) 8.018 11.062 ( 15.422 8.575 -3.219) 17.937 11.938 ( 16.576 -2.758 5.327) 17.628 12.403 ( 18.716 -11.225 -2.931) 22.020 13.349 ( 7.688 -4.139 -0.240) 8.735 14.678 ( 15.965 11.247 -7.421) 20.891 15.118 ( 17.108 -8.946 -12.514) 23.007 15.814 ( 19.552 -4.277 7.942) 21.532 17.357 ( -3.680 7.991 6.507) 10.943 17.816 ( -9.296 4.540 -6.562) 12.251 18.790 ( -15.434 -2.105 0.594) 15.589 37.525 ( 13.554 2.721 2.080) 13.980 37.817 ( 10.171 -1.981 0.795) 10.393 40.753 ( -5.423 3.267 -1.191) 6.442 41.065 ( -8.942 -3.057 -2.451) 9.763 60.386 ( -25.015 26.353 -0.300) 36.336 61.330 ( -40.524 -1.380 -5.506) 40.920 ======================= Grid point 312 (115/378) ======================= q-point: ( 0.35 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.178 ( 2.851 5.716 0.896) 6.450 4.401 ( 0.264 -1.899 3.214) 3.743 5.006 ( -10.230 7.725 7.446) 14.825 5.416 ( -18.148 -7.684 15.918) 25.333 7.308 ( 18.144 -7.044 1.288) 19.506 7.478 ( 13.242 -11.264 2.142) 17.516 8.903 ( 4.909 -4.616 3.140) 7.433 9.832 ( -9.108 2.890 0.868) 9.594 11.351 ( 13.868 6.346 -4.364) 15.864 12.212 ( 9.191 1.963 3.266) 9.949 12.746 ( 17.212 -17.389 -2.529) 24.597 13.514 ( 8.261 -2.028 -3.080) 9.046 14.982 ( 14.520 10.937 -7.032) 19.492 15.411 ( 11.919 -7.921 -11.490) 18.353 16.187 ( 17.650 -1.891 0.313) 17.754 17.313 ( -1.295 11.596 6.158) 13.194 17.651 ( -6.700 1.104 -3.354) 7.574 18.497 ( -14.150 -1.471 4.240) 14.845 37.776 ( 11.539 2.449 2.143) 11.989 37.995 ( 7.631 -1.528 1.395) 7.906 40.662 ( -3.677 2.541 -0.255) 4.476 40.897 ( -7.914 -2.704 -1.210) 8.450 59.968 ( -16.902 20.275 0.868) 26.410 60.630 ( -30.207 4.729 -2.614) 30.687 ======================= Grid point 313 (116/378) ======================= q-point: ( 0.41 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.210 ( 1.372 0.049 3.796) 4.037 4.455 ( 3.906 -1.510 3.447) 5.424 4.778 ( -11.532 1.831 8.011) 14.160 5.094 ( -13.861 -6.051 14.451) 20.918 7.595 ( 10.927 -8.922 1.292) 14.166 7.684 ( 7.416 -11.213 1.534) 13.530 9.030 ( 7.835 -1.464 2.959) 8.503 9.644 ( -9.775 2.965 2.503) 10.517 11.614 ( 12.494 4.573 -6.236) 14.693 12.283 ( -1.115 -2.809 2.410) 3.866 13.098 ( 17.563 -12.114 -3.183) 21.572 13.637 ( 3.300 -1.566 -4.222) 5.582 15.248 ( 12.162 8.051 -7.553) 16.425 15.574 ( 4.375 -6.153 -10.539) 12.964 16.505 ( 14.276 2.682 -5.560) 15.553 17.259 ( -5.185 11.577 -2.494) 12.928 17.600 ( 2.501 -0.921 7.495) 7.955 18.229 ( -12.894 -0.850 7.864) 15.127 37.974 ( 8.225 2.029 2.014) 8.708 38.113 ( 4.170 -0.954 2.008) 4.726 40.611 ( -1.411 1.499 0.343) 2.087 40.757 ( -6.070 -2.003 -0.183) 6.394 59.725 ( -7.488 16.210 1.378) 17.909 60.128 ( -20.549 8.505 -0.531) 22.246 ======================= Grid point 314 (117/378) ======================= q-point: ( 0.47 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.269 ( 4.849 -2.704 5.518) 7.828 4.432 ( -7.260 -4.464 4.286) 9.540 4.686 ( 3.909 -0.408 8.922) 9.749 4.866 ( -9.135 -3.818 12.192) 15.706 7.744 ( 4.253 -9.975 1.320) 10.924 7.772 ( 1.565 -10.719 1.463) 10.931 9.200 ( 8.341 2.416 1.487) 8.810 9.453 ( -8.771 0.782 4.681) 9.973 11.822 ( 7.163 5.342 -9.426) 12.988 12.218 ( -3.682 -8.145 4.182) 9.869 13.398 ( 11.352 -4.445 -5.606) 13.419 13.630 ( -3.579 -4.890 -2.762) 6.660 15.455 ( 8.235 3.315 -8.625) 12.377 15.587 ( -2.641 -2.565 -9.569) 10.253 16.736 ( 7.966 10.842 -9.631) 16.546 17.133 ( -5.612 2.350 -5.500) 8.202 17.717 ( 7.291 2.671 11.527) 13.898 17.996 ( -9.726 -1.459 11.156) 14.872 38.094 ( 3.641 1.711 1.477) 4.286 38.159 ( 0.638 -0.554 2.802) 2.926 40.607 ( 0.975 0.386 0.449) 1.141 40.660 ( -3.554 -1.081 0.577) 3.759 59.670 ( 1.762 13.692 1.050) 13.845 59.814 ( -11.037 10.829 1.060) 15.499 ======================= Grid point 323 (118/378) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( 0.000 0.000 4.392) 4.392 3.993 ( 0.000 -0.000 1.727) 1.727 4.359 ( 0.000 0.000 0.853) 0.853 4.465 ( 0.000 -0.000 -11.735) 11.735 6.615 ( 0.000 0.000 24.443) 24.443 7.680 ( 0.000 0.000 13.239) 13.239 8.993 ( 0.000 0.000 1.951) 1.951 9.235 ( 0.000 0.000 2.573) 2.573 10.268 ( 0.000 0.000 -2.410) 2.410 10.627 ( 0.000 0.000 -6.433) 6.433 11.180 ( 0.000 0.000 8.846) 8.846 12.623 ( 0.000 0.000 2.299) 2.299 13.527 ( 0.000 0.000 -2.124) 2.124 13.649 ( 0.000 0.000 -2.400) 2.400 14.933 ( 0.000 0.000 16.327) 16.327 17.890 ( 0.000 0.000 -0.941) 0.941 18.474 ( 0.000 0.000 -4.264) 4.264 20.036 ( 0.000 0.000 -9.886) 9.886 36.593 ( 0.000 -0.000 0.939) 0.939 36.977 ( 0.000 0.000 -0.984) 0.984 41.239 ( 0.000 0.000 -4.906) 4.906 41.652 ( 0.000 0.000 -7.473) 7.473 63.658 ( 0.000 0.000 -12.842) 12.842 64.554 ( 0.000 0.000 -21.843) 21.843 ======================= Grid point 325 (119/378) ======================= q-point: ( 0.06 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( 19.547 0.000 3.939) 19.940 4.219 ( 21.198 -0.000 0.865) 21.216 4.347 ( -0.899 0.000 0.833) 1.225 4.465 ( 0.574 -0.000 -11.082) 11.096 6.542 ( -7.050 0.000 24.293) 25.295 7.618 ( -6.216 0.000 13.299) 14.680 8.933 ( -5.091 0.000 1.989) 5.466 9.361 ( 12.106 0.000 2.540) 12.369 10.455 ( 17.606 0.000 -2.368) 17.765 10.629 ( -0.070 0.000 -6.909) 6.910 11.174 ( -0.174 0.000 9.330) 9.331 12.686 ( 6.119 0.000 2.279) 6.530 13.614 ( 8.602 -0.000 -2.229) 8.886 13.723 ( 7.368 0.000 -4.506) 8.637 14.928 ( -0.203 0.000 17.257) 17.259 17.858 ( -3.150 0.000 -0.705) 3.228 18.445 ( -2.981 0.000 -4.427) 5.337 19.951 ( -8.261 0.000 -9.424) 12.532 36.645 ( 5.145 -0.000 1.025) 5.246 37.025 ( 4.755 0.000 -0.877) 4.835 41.213 ( -2.578 0.000 -4.719) 5.377 41.619 ( -3.270 0.000 -7.216) 7.923 63.454 ( -20.024 0.000 -11.948) 23.317 64.322 ( -22.734 0.000 -20.487) 30.603 ======================= Grid point 327 (120/378) ======================= q-point: ( 0.12 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.150 ( 14.164 0.000 1.331) 14.226 4.405 ( 14.640 -0.000 2.602) 14.869 4.432 ( -0.121 0.000 -11.859) 11.859 4.826 ( 34.379 -0.000 1.526) 34.412 6.357 ( -11.112 0.000 23.719) 26.193 7.444 ( -10.924 0.000 13.195) 17.130 8.829 ( -4.823 0.000 2.323) 5.353 9.677 ( 18.556 0.000 2.315) 18.700 10.614 ( -1.319 0.000 -7.340) 7.457 10.901 ( 25.948 0.000 -2.452) 26.063 11.198 ( 3.134 0.000 9.773) 10.264 12.846 ( 9.315 0.000 2.570) 9.663 13.855 ( 15.313 -0.000 -2.573) 15.528 13.929 ( 12.888 0.000 -10.856) 16.850 14.947 ( 2.909 0.000 19.993) 20.203 17.770 ( -5.584 0.000 0.059) 5.585 18.358 ( -5.650 0.000 -4.939) 7.504 19.725 ( -14.109 0.000 -8.071) 16.254 36.792 ( 9.549 -0.000 1.261) 9.631 37.159 ( 8.574 0.000 -0.571) 8.593 41.139 ( -4.696 0.000 -4.177) 6.285 41.525 ( -6.097 0.000 -6.478) 8.896 62.904 ( -34.212 0.000 -9.614) 35.537 63.703 ( -38.164 0.000 -17.004) 41.781 ======================= Grid point 329 (121/378) ======================= q-point: ( 0.18 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.215 ( -0.156 0.000 0.101) 0.185 4.419 ( -0.976 -0.000 -11.158) 11.200 4.927 ( 28.966 0.000 3.728) 29.205 5.546 ( 35.850 -0.000 2.957) 35.972 6.123 ( -11.526 0.000 21.109) 24.051 7.206 ( -12.287 0.000 12.347) 17.419 8.755 ( -2.495 0.000 2.974) 3.882 10.022 ( 13.273 0.000 1.540) 13.362 10.618 ( 4.099 0.000 -6.361) 7.567 11.311 ( 8.513 0.000 9.025) 12.406 11.435 ( 26.911 0.000 -2.808) 27.057 13.027 ( 8.336 0.000 3.073) 8.885 14.203 ( 19.256 -0.000 -3.180) 19.517 14.211 ( 15.118 0.000 -18.287) 23.727 15.077 ( 10.917 0.000 22.051) 24.606 17.646 ( -6.621 0.000 1.523) 6.794 18.224 ( -7.780 0.000 -5.856) 9.738 19.415 ( -16.618 0.000 -5.865) 17.622 37.014 ( 12.605 -0.000 1.583) 12.704 37.355 ( 10.857 0.000 -0.110) 10.858 41.032 ( -6.000 0.000 -3.350) 6.871 41.383 ( -8.111 0.000 -5.353) 9.718 62.156 ( -39.885 0.000 -6.616) 40.430 62.877 ( -43.668 0.000 -12.655) 45.465 ======================= Grid point 331 (122/378) ======================= q-point: ( 0.24 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.221 ( 1.109 0.000 0.558) 1.242 4.391 ( -1.895 -0.000 -9.289) 9.480 5.394 ( 15.357 0.000 5.342) 16.260 5.796 ( -12.201 -0.000 23.281) 26.284 6.308 ( 31.094 -0.000 -1.031) 31.111 7.013 ( -5.165 0.000 9.692) 10.982 8.733 ( 0.322 0.000 3.708) 3.722 10.114 ( -2.500 0.000 -0.421) 2.535 10.839 ( 16.037 0.000 -3.457) 16.406 11.549 ( 16.046 0.000 7.129) 17.558 11.927 ( 21.667 0.000 -3.204) 21.902 13.168 ( 6.305 0.000 2.300) 6.711 14.521 ( 16.208 -0.000 -19.519) 25.371 14.597 ( 20.068 0.000 -4.026) 20.468 15.376 ( 18.434 0.000 17.870) 25.674 17.521 ( -5.613 0.000 3.939) 6.857 18.054 ( -9.325 0.000 -7.198) 11.780 19.084 ( -16.510 0.000 -2.816) 16.748 37.280 ( 13.942 -0.000 1.920) 14.073 37.578 ( 11.412 0.000 0.445) 11.421 40.908 ( -6.314 0.000 -2.348) 6.737 41.211 ( -9.065 0.000 -3.986) 9.903 61.375 ( -37.792 0.000 -3.680) 37.971 62.025 ( -41.330 0.000 -8.514) 42.198 ======================= Grid point 333 (123/378) ======================= q-point: ( 0.29 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.263 ( 3.114 0.000 1.228) 3.347 4.341 ( -3.218 -0.000 -6.051) 6.854 5.464 ( -7.810 0.000 9.252) 12.108 5.522 ( -14.205 -0.000 20.491) 24.933 6.878 ( 25.134 -0.000 -0.755) 25.145 7.062 ( 9.637 0.000 5.041) 10.876 8.769 ( 3.311 0.000 4.294) 5.422 10.010 ( -6.941 0.000 -0.494) 6.959 11.146 ( 14.073 0.000 -1.268) 14.130 11.955 ( 24.370 0.000 3.644) 24.641 12.251 ( 10.327 -0.000 -2.812) 10.703 13.308 ( 8.534 0.000 -0.473) 8.547 14.846 ( 16.096 -0.000 -16.131) 22.788 14.977 ( 17.758 0.000 -5.087) 18.472 15.770 ( 20.537 0.000 9.338) 22.560 17.441 ( -2.129 0.000 7.412) 7.711 17.858 ( -10.444 0.000 -8.777) 13.643 18.769 ( -15.190 0.000 0.967) 15.221 37.554 ( 13.466 -0.000 2.214) 13.647 37.796 ( 10.337 0.000 1.027) 10.387 40.788 ( -5.649 0.000 -1.318) 5.800 41.032 ( -8.872 0.000 -2.559) 9.234 60.693 ( -30.391 0.000 -1.261) 30.418 61.267 ( -34.824 0.000 -5.086) 35.193 ======================= Grid point 335 (124/378) ======================= q-point: ( 0.35 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.269 ( -3.674 0.000 -1.578) 3.999 4.341 ( 4.640 -0.000 1.791) 4.973 5.179 ( -18.367 0.000 11.891) 21.880 5.251 ( -12.961 -0.000 16.841) 21.252 7.291 ( 16.516 -0.000 -0.307) 16.519 7.310 ( 13.253 0.000 2.244) 13.441 8.866 ( 6.504 0.000 4.574) 7.951 9.856 ( -8.442 0.000 0.428) 8.453 11.405 ( 12.505 0.000 -0.583) 12.518 12.340 ( -0.525 0.000 -2.001) 2.069 12.470 ( 26.427 -0.000 0.401) 26.430 13.496 ( 9.276 0.000 -3.585) 9.945 15.139 ( 13.135 -0.000 -13.082) 18.538 15.284 ( 12.904 0.000 -6.365) 14.388 16.167 ( 19.323 0.000 1.160) 19.358 17.449 ( 3.153 -0.000 11.218) 11.653 17.641 ( -11.390 0.000 -10.091) 15.217 18.482 ( -13.790 0.000 5.090) 14.699 37.803 ( 11.358 -0.000 2.430) 11.615 37.979 ( 7.895 0.000 1.576) 8.050 40.690 ( -4.145 0.000 -0.414) 4.166 40.867 ( -7.628 0.000 -1.263) 7.731 60.189 ( -20.288 0.000 0.424) 20.292 60.655 ( -26.889 0.000 -2.445) 27.000 ======================= Grid point 337 (125/378) ======================= q-point: ( 0.41 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.214 ( -1.265 0.000 3.042) 3.294 4.433 ( 3.693 0.000 1.682) 4.058 4.819 ( -15.814 0.000 13.756) 20.960 5.015 ( -10.847 -0.000 13.120) 17.023 7.536 ( 8.895 -0.000 1.195) 8.975 7.540 ( 8.942 0.000 0.166) 8.943 9.026 ( 9.570 0.000 4.417) 10.540 9.674 ( -9.956 0.000 1.632) 10.089 11.652 ( 12.430 0.000 -0.984) 12.469 12.266 ( -6.326 0.000 -1.794) 6.575 12.966 ( 22.930 0.000 -1.990) 23.016 13.626 ( 2.825 0.000 -5.086) 5.818 15.359 ( 9.046 0.000 -11.469) 14.607 15.479 ( 6.610 0.000 -7.821) 10.240 16.531 ( 17.417 0.000 -4.540) 17.999 17.406 ( -12.415 0.000 -10.523) 16.275 17.562 ( 7.926 0.000 13.640) 15.776 18.220 ( -12.772 0.000 8.950) 15.596 37.996 ( 8.010 -0.000 2.542) 8.404 38.102 ( 4.440 0.000 2.035) 4.885 40.628 ( -2.020 0.000 0.225) 2.032 40.735 ( -5.592 0.000 -0.262) 5.599 59.894 ( -9.498 0.000 1.307) 9.588 60.203 ( -18.652 0.000 -0.508) 18.659 ======================= Grid point 339 (126/378) ======================= q-point: ( 0.47 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.243 ( 4.513 0.000 6.064) 7.559 4.387 ( -8.518 -0.000 5.001) 9.878 4.688 ( 3.406 0.000 11.433) 11.929 4.822 ( -8.599 -0.000 10.601) 13.650 7.653 ( 2.950 -0.000 0.807) 3.058 7.654 ( 2.777 0.000 0.540) 2.829 9.236 ( 11.361 0.000 3.788) 11.976 9.463 ( -11.270 0.000 2.812) 11.615 11.892 ( 11.664 -0.000 -1.530) 11.764 12.105 ( -9.626 0.000 -1.785) 9.790 13.356 ( 16.047 0.000 -3.803) 16.492 13.586 ( -6.925 0.000 -4.976) 8.527 15.498 ( 4.903 0.000 -10.458) 11.551 15.546 ( 0.285 0.000 -9.272) 9.276 16.858 ( 15.526 -0.000 -7.871) 17.407 17.147 ( -13.778 0.000 -9.773) 16.892 17.749 ( 10.669 -0.000 13.752) 17.406 17.975 ( -11.951 0.000 11.993) 16.931 38.115 ( 3.934 -0.000 2.527) 4.675 38.150 ( 0.364 0.000 2.360) 2.388 40.613 ( 0.480 0.000 0.495) 0.689 40.648 ( -3.105 0.000 0.337) 3.124 59.809 ( 0.766 0.000 1.405) 1.600 59.918 ( -10.085 0.000 0.780) 10.115 ======================= Grid point 442 (127/378) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 0.000 36.018) 36.018 2.005 ( 0.000 0.000 46.111) 46.111 2.938 ( 0.000 0.000 64.535) 64.535 4.340 ( 0.000 0.000 -8.307) 8.307 5.383 ( 0.000 0.000 -3.708) 3.708 6.468 ( 0.000 0.000 4.619) 4.619 9.130 ( 0.000 0.000 12.944) 12.944 9.677 ( 0.000 0.000 2.636) 2.636 10.146 ( 0.000 0.000 -2.644) 2.644 11.466 ( 0.000 0.000 -5.582) 5.582 12.425 ( 0.000 0.000 9.011) 9.011 12.864 ( 0.000 0.000 -7.574) 7.574 13.819 ( 0.000 0.000 -6.689) 6.689 14.230 ( 0.000 0.000 -13.727) 13.727 15.745 ( 0.000 0.000 8.922) 8.922 17.216 ( 0.000 0.000 -10.276) 10.276 18.662 ( 0.000 0.000 8.079) 8.079 19.684 ( 0.000 0.000 -2.391) 2.391 36.344 ( 0.000 0.000 3.755) 3.755 37.051 ( 0.000 0.000 -4.159) 4.159 40.156 ( 0.000 0.000 9.180) 9.180 42.055 ( 0.000 0.000 -11.210) 11.210 61.061 ( 0.000 0.000 6.026) 6.026 62.837 ( 0.000 0.000 -14.457) 14.457 ======================= Grid point 443 (128/378) ======================= q-point: ( 0.06 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 28.763 0.000 31.709) 42.811 2.099 ( 9.645 0.000 42.106) 43.196 3.156 ( 23.787 0.000 56.238) 61.062 4.569 ( 21.722 0.000 -8.539) 23.340 5.354 ( -1.827 0.000 -1.870) 2.614 6.474 ( 0.933 0.000 5.613) 5.690 9.084 ( -3.751 0.000 12.344) 12.901 9.674 ( -1.785 0.000 6.006) 6.266 10.332 ( 17.479 0.000 -2.487) 17.655 11.400 ( -9.330 0.000 -4.433) 10.329 11.903 ( -14.808 0.000 17.831) 23.178 13.515 ( 32.710 0.000 -19.837) 38.255 13.765 ( -4.785 0.000 -11.650) 12.595 14.309 ( 7.320 0.000 -9.070) 11.656 15.854 ( 10.102 0.000 7.406) 12.526 17.179 ( -3.740 0.000 -9.698) 10.394 18.475 ( -16.644 0.000 14.200) 21.879 19.641 ( -4.319 0.000 -2.645) 5.064 36.392 ( 4.785 0.000 3.634) 6.009 37.189 ( 12.070 0.000 -8.829) 14.954 40.165 ( 0.919 0.000 9.097) 9.143 41.981 ( -6.726 0.000 -9.007) 11.241 60.958 ( -10.289 0.000 5.528) 11.680 62.049 ( -65.908 0.000 15.194) 67.637 ======================= Grid point 444 (129/378) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 19.356 0.000 33.027) 38.281 2.447 ( 23.882 0.000 32.076) 39.990 3.882 ( 45.597 0.000 33.403) 56.523 5.103 ( 28.796 0.000 -10.330) 30.592 5.371 ( 5.404 0.000 2.443) 5.930 6.537 ( 7.012 0.000 9.035) 11.436 9.017 ( -2.447 0.000 11.679) 11.932 9.574 ( -7.326 0.000 12.023) 14.079 10.778 ( 26.034 0.000 -3.625) 26.285 11.213 ( -5.413 0.000 -4.004) 6.733 11.966 ( 15.352 0.000 11.735) 19.323 13.652 ( -6.201 0.000 -17.192) 18.277 13.982 ( 15.695 0.000 -22.104) 27.109 14.494 ( 10.913 0.000 -4.068) 11.646 16.087 ( 11.905 0.000 6.542) 13.584 17.072 ( -6.916 0.000 -7.915) 10.511 18.104 ( -18.935 0.000 19.621) 27.268 19.516 ( -8.249 0.000 -3.320) 8.892 36.529 ( 8.912 0.000 3.254) 9.487 37.450 ( 12.970 0.000 -12.709) 18.159 40.192 ( 1.785 0.000 8.862) 9.040 41.821 ( -8.855 0.000 -6.446) 10.953 60.665 ( -18.913 0.000 4.221) 19.378 60.738 ( -59.980 0.000 35.308) 69.600 ======================= Grid point 445 (130/378) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 25.839 0.000 23.689) 35.054 2.898 ( 22.409 0.000 27.358) 35.364 4.704 ( 30.281 0.000 9.038) 31.601 5.553 ( 13.733 0.000 -11.738) 18.066 5.691 ( 31.237 0.000 14.985) 34.645 6.840 ( 25.028 0.000 12.405) 27.933 8.999 ( 0.913 0.000 11.170) 11.207 9.446 ( -4.478 0.000 10.441) 11.361 11.162 ( -1.199 0.000 -9.086) 9.165 11.309 ( 26.236 0.000 -7.843) 27.383 12.399 ( 26.627 0.000 9.713) 28.343 13.535 ( -5.095 0.000 -17.222) 17.960 14.199 ( 7.530 0.000 -19.476) 20.881 14.727 ( 12.241 0.000 -3.394) 12.703 16.291 ( 8.396 0.000 9.269) 12.506 16.912 ( -8.946 0.000 -4.788) 10.147 17.764 ( -14.986 0.000 17.819) 23.283 19.319 ( -11.504 0.000 -4.172) 12.237 36.737 ( 11.872 0.000 2.579) 12.149 37.682 ( 10.390 0.000 -12.130) 15.971 40.235 ( 2.571 0.000 8.511) 8.891 41.642 ( -9.147 0.000 -5.391) 10.618 59.736 ( -41.927 0.000 30.597) 51.904 60.228 ( -24.658 0.000 2.556) 24.791 ======================= Grid point 446 (131/378) ======================= q-point: ( 0.24 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 22.064 0.000 20.687) 30.246 3.381 ( 27.660 0.000 16.258) 32.084 5.054 ( 9.507 0.000 -2.001) 9.715 5.660 ( -0.813 0.000 -8.112) 8.153 6.557 ( 50.202 0.000 20.796) 54.339 7.462 ( 34.333 0.000 11.067) 36.072 9.064 ( 6.016 0.000 10.509) 12.109 9.416 ( 1.419 0.000 4.091) 4.330 11.138 ( -1.494 0.000 -11.409) 11.506 11.755 ( 17.076 0.000 -17.396) 24.376 12.962 ( 29.014 0.000 8.640) 30.273 13.481 ( 0.615 0.000 -9.463) 9.483 14.313 ( 4.470 0.000 -16.413) 17.011 14.964 ( 11.310 0.000 -6.725) 13.158 16.421 ( 4.969 0.000 12.715) 13.652 16.729 ( -9.128 0.000 -0.151) 9.129 17.519 ( -9.749 0.000 12.602) 15.933 19.065 ( -13.935 0.000 -4.870) 14.761 36.990 ( 13.398 0.000 1.590) 13.492 37.862 ( 7.792 0.000 -10.288) 12.906 40.293 ( 3.288 0.000 8.071) 8.715 41.460 ( -9.184 0.000 -4.530) 10.241 59.035 ( -29.707 0.000 21.383) 36.602 59.711 ( -26.987 0.000 1.022) 27.007 ======================= Grid point 447 (132/378) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( 20.536 0.000 15.504) 25.731 3.913 ( 25.513 0.000 10.754) 27.687 5.182 ( 4.314 0.000 -2.445) 4.959 5.582 ( -6.163 0.000 -4.220) 7.469 7.532 ( 46.358 0.000 18.672) 49.978 8.094 ( 27.828 0.000 9.665) 29.459 9.254 ( 13.429 0.000 9.581) 16.497 9.497 ( 6.640 0.000 -3.020) 7.294 11.099 ( -2.365 0.000 -12.327) 12.552 11.939 ( 1.366 0.000 -29.569) 29.601 13.509 ( 25.363 0.000 7.985) 26.590 13.585 ( 9.640 0.000 2.706) 10.013 14.391 ( 3.747 0.000 -12.955) 13.486 15.155 ( 7.357 0.000 -12.456) 14.466 16.502 ( 3.573 0.000 13.216) 13.691 16.569 ( -6.504 0.000 5.606) 8.587 17.377 ( -4.547 0.000 8.024) 9.223 18.772 ( -15.501 0.000 -5.068) 16.308 37.258 ( 13.476 0.000 0.322) 13.480 37.991 ( 5.172 0.000 -8.622) 10.055 40.365 ( 3.975 0.000 7.535) 8.519 41.279 ( -9.022 0.000 -3.182) 9.566 58.535 ( -21.116 0.000 13.931) 25.297 59.181 ( -25.995 0.000 -0.030) 25.995 ======================= Grid point 448 (133/378) ======================= q-point: ( 0.35 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.148 ( 18.092 0.000 12.066) 21.746 4.374 ( 20.724 0.000 6.786) 21.806 5.236 ( 1.140 0.000 -1.613) 1.976 5.435 ( -8.488 0.000 -0.932) 8.539 8.347 ( 35.028 0.000 15.691) 38.382 8.544 ( 18.171 0.000 8.444) 20.037 9.576 ( 17.676 0.000 8.542) 19.632 9.668 ( 10.161 0.000 -8.388) 13.176 11.050 ( -2.324 0.000 -12.815) 13.024 11.844 ( -9.597 0.000 -34.828) 36.126 13.820 ( 12.839 0.000 9.116) 15.746 13.942 ( 17.919 0.000 7.191) 19.309 14.474 ( 4.927 0.000 -9.387) 10.602 15.233 ( 0.161 0.000 -16.683) 16.683 16.491 ( -1.083 0.000 9.801) 9.860 16.570 ( 3.279 0.000 10.063) 10.584 17.338 ( 0.612 0.000 5.837) 5.869 18.457 ( -16.183 0.000 -4.484) 16.793 37.515 ( 12.291 0.000 -1.128) 12.343 38.065 ( 2.265 0.000 -7.336) 7.677 40.451 ( 4.670 0.000 6.840) 8.282 41.105 ( -8.555 0.000 -1.331) 8.658 58.192 ( -13.619 0.000 8.660) 16.139 58.699 ( -22.211 0.000 -0.433) 22.215 ======================= Grid point 449 (134/378) ======================= q-point: ( 0.41 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.479 ( 15.355 0.000 9.679) 18.151 4.725 ( 14.534 0.000 4.201) 15.128 5.228 ( -1.894 0.000 -0.655) 2.004 5.254 ( -9.529 0.000 1.853) 9.707 8.847 ( 13.005 0.000 6.760) 14.657 8.890 ( 19.367 0.000 11.146) 22.346 9.878 ( 10.325 0.000 -8.332) 13.268 9.892 ( 12.919 0.000 7.157) 14.769 11.029 ( 1.032 0.000 -14.828) 14.864 11.604 ( -13.696 0.000 -33.440) 36.136 14.056 ( 10.399 0.000 9.938) 14.384 14.203 ( 8.289 0.000 6.274) 10.396 14.601 ( 8.088 0.000 -7.022) 10.711 15.164 ( -6.699 0.000 -15.580) 16.959 16.518 ( 3.164 0.000 9.379) 9.898 16.623 ( 1.815 0.000 6.390) 6.643 17.405 ( 6.204 0.000 4.578) 7.710 18.138 ( -15.887 0.000 -2.956) 16.160 37.739 ( 10.146 0.000 -2.617) 10.478 38.079 ( -0.923 0.000 -6.270) 6.338 40.550 ( 5.399 0.000 5.878) 7.981 40.942 ( -7.833 0.000 0.768) 7.871 57.996 ( -6.121 0.000 5.008) 7.908 58.314 ( -16.375 0.000 -0.152) 16.376 ======================= Grid point 450 (135/378) ======================= q-point: ( 0.47 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.755 ( 12.430 0.000 7.595) 14.566 4.916 ( 1.178 0.000 4.510) 4.661 5.095 ( -2.874 0.000 2.364) 3.721 5.162 ( -4.720 0.000 0.333) 4.731 9.057 ( 7.599 0.000 5.348) 9.293 9.111 ( 3.319 0.000 6.444) 7.249 10.040 ( 5.145 0.000 -1.951) 5.502 10.058 ( 3.647 0.000 4.156) 5.529 11.117 ( 7.989 0.000 -20.763) 22.246 11.332 ( -13.064 0.000 -28.207) 31.086 14.220 ( 5.901 0.000 8.574) 10.408 14.281 ( 0.015 0.000 6.831) 6.831 14.787 ( 10.310 0.000 -7.942) 13.014 14.992 ( -10.008 0.000 -11.533) 15.270 16.588 ( 3.308 0.000 6.829) 7.588 16.633 ( -0.943 0.000 5.312) 5.395 17.580 ( 11.176 0.000 2.327) 11.416 17.836 ( -14.359 0.000 -0.533) 14.369 37.913 ( 7.360 0.000 -4.004) 8.379 38.028 ( -4.207 0.000 -5.210) 6.697 40.665 ( 6.175 0.000 4.544) 7.667 40.795 ( -7.001 0.000 2.806) 7.542 57.951 ( 1.593 0.000 2.487) 2.953 58.059 ( -9.269 0.000 0.810) 9.304 ======================= Grid point 459 (136/378) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 0.000 15.936 32.025) 35.771 2.042 ( 0.000 8.142 41.245) 42.041 3.354 ( 0.000 35.729 56.578) 66.915 4.337 ( 0.000 -0.278 -7.785) 7.790 5.391 ( 0.000 1.982 -3.718) 4.213 6.591 ( 0.000 11.723 7.037) 13.673 9.080 ( 0.000 -2.639 9.954) 10.298 9.635 ( 0.000 -4.021 3.041) 5.041 10.169 ( 0.000 2.030 -3.041) 3.657 11.308 ( 0.000 -16.016 -7.834) 17.830 12.439 ( 0.000 1.506 8.744) 8.873 12.710 ( 0.000 -11.371 -1.695) 11.497 13.798 ( 0.000 -2.108 -6.551) 6.882 14.458 ( 0.000 13.996 -19.032) 23.624 15.720 ( 0.000 -1.832 9.325) 9.503 17.341 ( 0.000 10.907 -8.939) 14.102 18.331 ( 0.000 -22.093 18.747) 28.975 19.910 ( 0.000 13.327 -13.528) 18.990 36.359 ( 0.000 1.555 3.659) 3.976 37.048 ( 0.000 -0.371 -4.044) 4.060 40.367 ( 0.000 17.297 -0.846) 17.317 41.994 ( 0.000 -5.710 -9.659) 11.221 60.440 ( 0.000 -25.732 25.982) 36.567 64.355 ( 0.000 99.863 -73.023) 123.713 ======================= Grid point 460 (137/378) ======================= q-point: ( 0.06 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 23.256 13.612 29.556) 39.997 2.177 ( 17.126 9.537 35.780) 40.798 3.499 ( 16.364 30.567 50.646) 61.377 4.565 ( 21.551 -0.406 -7.771) 22.913 5.380 ( -0.419 3.294 -2.473) 4.140 6.586 ( -0.079 10.875 8.081) 13.549 9.028 ( -3.847 -2.777 8.876) 10.065 9.711 ( 4.765 1.539 4.297) 6.599 10.324 ( 15.227 -0.526 -2.845) 15.500 11.246 ( -7.084 -15.036 -6.669) 17.910 12.014 ( -14.184 9.280 14.879) 22.554 13.185 ( 21.103 -20.420 -8.066) 30.453 13.857 ( 6.987 0.726 -9.442) 11.768 14.481 ( 1.855 10.980 -17.408) 20.665 15.808 ( 8.295 -3.722 8.076) 12.161 17.305 ( -3.599 10.975 -8.278) 14.211 18.211 ( -11.170 -18.480 20.117) 29.512 19.823 ( -8.001 11.718 -10.629) 17.729 36.408 ( 4.843 1.614 3.556) 6.222 37.160 ( 10.210 -2.384 -6.688) 12.436 40.355 ( -1.009 15.930 0.629) 15.975 41.931 ( -5.816 -4.765 -8.279) 11.184 60.320 ( -11.924 -23.488 26.008) 37.017 63.557 ( -68.625 98.263 -41.613) 126.873 ======================= Grid point 461 (138/378) ======================= q-point: ( 0.12 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 19.526 7.492 28.623) 35.449 2.674 ( 24.105 17.398 29.076) 41.583 4.050 ( 37.348 15.956 31.044) 51.120 5.092 ( 28.035 -1.018 -9.568) 29.641 5.427 ( 7.481 5.868 2.546) 9.843 6.624 ( 5.459 8.705 10.982) 15.039 8.970 ( -1.568 -1.834 7.050) 7.452 9.729 ( -3.320 11.251 8.570) 14.528 10.726 ( 22.458 -5.788 -4.629) 23.650 11.100 ( -3.278 -10.040 -4.559) 11.504 12.029 ( 12.905 5.967 11.812) 18.484 13.410 ( 3.921 -17.088 -10.428) 20.399 14.082 ( 13.795 2.314 -15.464) 20.851 14.518 ( 2.138 2.206 -11.510) 11.913 16.008 ( 10.719 -6.812 6.340) 14.195 17.204 ( -6.365 11.501 -6.309) 14.580 17.940 ( -14.972 -12.409 20.924) 28.565 19.626 ( -11.310 8.099 -7.063) 15.601 36.546 ( 8.987 1.749 3.234) 9.710 37.397 ( 12.548 -4.555 -9.585) 16.434 40.336 ( -0.687 12.652 3.331) 13.101 41.788 ( -8.182 -3.294 -6.494) 10.953 59.984 ( -21.347 -16.238 25.468) 36.987 62.135 ( -67.349 81.790 -9.096) 106.340 ======================= Grid point 462 (139/378) ======================= q-point: ( 0.18 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 24.424 4.715 21.470) 32.859 3.102 ( 20.363 16.688 26.355) 37.253 4.746 ( 26.021 3.699 7.075) 27.219 5.518 ( 15.228 -1.712 -8.961) 17.752 5.809 ( 31.410 10.150 13.402) 35.627 6.883 ( 22.212 4.173 13.385) 26.267 8.976 ( 2.310 -0.063 5.177) 5.669 9.626 ( -5.508 14.561 10.130) 18.574 10.927 ( -0.332 -18.903 -10.160) 21.463 11.361 ( 25.440 1.703 -6.146) 26.227 12.421 ( 24.619 1.810 9.762) 26.546 13.435 ( 0.062 -8.696 -11.190) 14.172 14.302 ( 6.312 7.433 -20.439) 22.646 14.612 ( 9.015 -10.177 -3.669) 14.082 16.199 ( 8.099 -8.168 6.283) 13.107 17.062 ( -7.695 13.065 -2.892) 15.436 17.655 ( -13.146 -8.737 18.500) 24.318 19.383 ( -13.165 5.070 -5.637) 15.192 36.756 ( 11.945 1.903 2.642) 12.381 37.632 ( 11.006 -4.464 -9.771) 15.380 40.333 ( 0.468 8.993 5.258) 10.428 41.618 ( -8.810 -2.386 -5.572) 10.693 59.511 ( -25.355 -5.659 22.694) 34.495 60.985 ( -49.415 56.483 -1.159) 75.057 ======================= Grid point 463 (140/378) ======================= q-point: ( 0.24 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( 24.734 2.554 16.695) 29.951 3.509 ( 21.021 11.446 19.510) 30.880 5.048 ( 8.065 -0.743 -2.887) 8.598 5.673 ( 1.119 1.689 -6.627) 6.930 6.628 ( 47.315 6.789 19.598) 51.662 7.459 ( 32.835 -0.751 11.493) 34.797 9.065 ( 6.738 1.471 4.006) 7.976 9.549 ( -1.731 11.293 6.617) 13.203 10.900 ( -1.741 -19.945 -12.344) 23.520 11.835 ( 19.897 5.293 -14.209) 25.016 12.938 ( 26.054 -2.749 9.361) 27.821 13.460 ( 3.805 -2.310 -7.456) 8.684 14.353 ( 0.786 2.638 -15.049) 15.298 14.855 ( 13.701 -8.836 -7.548) 17.966 16.316 ( 3.473 -8.400 6.669) 11.274 16.914 ( -6.791 15.208 2.231) 16.804 17.436 ( -8.635 -6.938 14.023) 17.870 19.107 ( -14.706 3.381 -5.207) 15.963 37.010 ( 13.449 2.034 1.751) 13.714 37.828 ( 8.660 -3.180 -8.698) 12.679 40.355 ( 1.728 5.866 6.162) 8.682 41.441 ( -9.005 -1.910 -4.666) 10.320 59.018 ( -23.664 2.823 17.616) 29.636 60.129 ( -38.101 36.517 -0.792) 52.781 ======================= Grid point 464 (141/378) ======================= q-point: ( 0.29 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.801 ( 20.375 3.126 14.961) 25.470 3.942 ( 22.364 3.630 11.672) 25.486 5.149 ( 2.908 -3.142 -3.164) 5.324 5.624 ( -5.076 4.038 -2.830) 7.076 7.550 ( 43.852 1.625 17.586) 47.275 8.078 ( 27.912 -2.462 9.681) 29.646 9.248 ( 11.945 0.762 4.264) 12.706 9.568 ( 3.626 5.472 0.135) 6.566 10.865 ( -1.720 -18.994 -13.558) 23.400 12.082 ( 4.356 10.785 -24.898) 27.480 13.387 ( 18.189 -8.994 9.563) 22.431 13.648 ( 15.812 2.341 0.774) 16.003 14.376 ( 2.054 -1.496 -10.416) 10.722 15.107 ( 10.852 -3.678 -13.113) 17.414 16.337 ( -0.861 -8.194 7.047) 10.841 16.813 ( -3.110 15.007 6.787) 16.762 17.320 ( -3.095 -4.625 10.076) 11.511 18.804 ( -15.774 2.688 -4.769) 16.696 37.279 ( 13.474 2.093 0.580) 13.648 37.974 ( 6.001 -1.633 -7.469) 9.719 40.401 ( 2.868 3.471 6.376) 7.805 41.263 ( -8.899 -1.621 -3.271) 9.618 58.594 ( -18.836 7.384 12.299) 23.677 59.447 ( -31.026 24.984 -1.051) 39.848 ======================= Grid point 465 (142/378) ======================= q-point: ( 0.35 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.167 ( 16.868 1.900 12.353) 20.994 4.364 ( 19.644 -0.783 7.265) 20.959 5.173 ( -0.443 -5.186 -2.002) 5.576 5.496 ( -7.465 5.062 0.192) 9.022 8.313 ( 31.906 -3.463 15.016) 35.432 8.534 ( 18.500 -2.101 8.347) 20.404 9.528 ( 15.442 -3.098 5.018) 16.530 9.687 ( 8.016 0.061 -5.741) 9.859 10.841 ( -0.310 -15.754 -14.686) 21.540 12.029 ( -8.446 14.362 -29.704) 34.057 13.701 ( 14.526 -9.348 10.034) 19.977 13.993 ( 16.195 1.401 4.736) 16.932 14.447 ( 5.269 -1.700 -8.102) 9.813 15.250 ( 2.887 1.567 -16.515) 16.839 16.321 ( 0.274 -8.024 8.418) 11.633 16.784 ( -0.280 11.514 6.841) 13.396 17.313 ( 2.332 -1.246 8.028) 8.452 18.487 ( -16.129 2.650 -3.767) 16.774 37.535 ( 12.187 2.005 -0.792) 12.377 38.063 ( 2.997 -0.167 -6.380) 7.051 40.468 ( 3.897 1.719 6.112) 7.450 41.091 ( -8.433 -1.382 -1.407) 8.661 58.281 ( -12.590 9.632 7.947) 17.733 58.896 ( -24.574 19.053 -0.897) 31.108 ======================= Grid point 466 (143/378) ======================= q-point: ( 0.41 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.471 ( 13.797 -0.699 9.624) 16.837 4.707 ( 14.859 -1.782 5.005) 15.781 5.132 ( -3.709 -5.922 -0.230) 6.991 5.338 ( -8.246 4.625 2.262) 9.721 8.754 ( 12.927 -7.665 9.689) 17.881 8.872 ( 15.592 -4.144 8.681) 18.321 9.809 ( 11.584 -6.459 4.070) 13.874 9.865 ( 9.306 -3.747 -5.326) 11.358 10.868 ( 3.306 -10.769 -17.839) 21.098 11.802 ( -13.106 15.464 -28.329) 34.834 13.959 ( 11.075 -7.883 9.511) 16.590 14.235 ( 7.779 0.230 4.428) 8.954 14.594 ( 9.666 0.398 -6.839) 11.847 15.214 ( -6.025 4.777 -14.744) 16.629 16.362 ( 3.443 -8.384 7.248) 11.604 16.788 ( 0.442 8.727 5.026) 10.081 17.407 ( 6.956 1.074 6.197) 9.378 18.172 ( -15.423 3.204 -1.904) 15.867 37.754 ( 9.815 1.631 -2.253) 10.202 38.091 ( -0.202 1.189 -5.361) 5.495 40.555 ( 4.856 0.466 5.408) 7.283 40.931 ( -7.662 -1.097 0.674) 7.769 58.100 ( -5.586 10.881 4.634) 13.080 58.478 ( -17.468 16.102 -0.202) 23.758 ======================= Grid point 467 (144/378) ======================= q-point: ( 0.47 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.700 ( 8.239 -4.439 7.081) 11.736 4.940 ( 6.645 0.951 4.631) 8.155 5.052 ( -1.252 -4.062 1.754) 4.598 5.175 ( -8.206 1.341 2.889) 8.803 8.921 ( 4.513 -10.606 5.259) 12.670 9.070 ( 4.418 -6.804 8.756) 11.937 9.966 ( 4.258 -8.730 2.035) 9.925 10.009 ( 4.050 -4.506 -0.200) 6.062 10.958 ( 4.295 -7.873 -24.037) 25.655 11.570 ( -8.175 16.649 -23.961) 30.301 14.120 ( 4.663 -6.951 9.168) 12.415 14.316 ( 1.316 -0.221 3.156) 3.427 14.813 ( 11.760 3.018 -7.707) 14.381 15.042 ( -10.658 4.983 -10.293) 15.633 16.424 ( 1.969 -8.480 5.087) 10.083 16.795 ( 0.230 7.943 4.185) 8.981 17.573 ( 8.740 0.312 3.201) 9.312 17.893 ( -11.614 5.118 0.983) 12.730 37.914 ( 5.764 0.447 -3.777) 6.906 38.060 ( -2.479 2.882 -4.157) 5.633 40.659 ( 5.593 -0.518 4.209) 7.019 40.790 ( -6.540 -0.585 2.682) 7.093 58.059 ( 0.974 11.361 2.000) 11.577 58.213 ( -8.796 14.996 1.198) 17.427 ======================= Grid point 476 (145/378) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 558 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.000 23.936 24.595) 34.320 2.369 ( 0.000 24.213 26.353) 35.788 4.099 ( 0.000 37.262 41.263) 55.597 4.326 ( 0.000 -0.936 -6.319) 6.388 5.488 ( 0.000 8.607 -1.984) 8.833 6.895 ( 0.000 19.269 14.487) 24.107 9.093 ( 0.000 4.089 2.683) 4.891 9.540 ( 0.000 -5.288 3.829) 6.529 10.209 ( 0.000 1.737 -3.799) 4.177 10.903 ( 0.000 -23.602 -10.787) 25.950 12.479 ( 0.000 -13.127 4.686) 13.938 12.481 ( 0.000 2.765 7.988) 8.453 13.740 ( 0.000 -3.801 -6.156) 7.235 14.549 ( 0.000 -5.124 -14.429) 15.312 15.692 ( 0.000 -1.415 10.793) 10.886 17.525 ( 0.000 5.726 1.121) 5.835 18.078 ( 0.000 -1.879 9.769) 9.948 20.049 ( 0.000 1.274 -17.395) 17.441 36.402 ( 0.000 2.837 3.383) 4.415 37.037 ( 0.000 -0.790 -3.712) 3.795 40.679 ( 0.000 13.409 -8.574) 15.916 41.861 ( 0.000 -7.472 -8.297) 11.166 60.321 ( 0.000 10.479 21.821) 24.207 65.796 ( 0.000 44.049 -94.889) 104.615 ======================= Grid point 477 (146/378) ======================= q-point: ( 0.06 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 17.292 22.635 22.568) 36.341 2.482 ( 19.916 21.401 24.247) 37.981 4.148 ( 6.489 32.000 35.186) 48.002 4.555 ( 21.103 -0.290 -5.012) 21.692 5.500 ( 1.753 9.819 -0.027) 9.974 6.873 ( -1.719 18.391 14.851) 23.701 9.039 ( -3.539 3.692 1.726) 5.398 9.697 ( 12.194 -2.546 3.687) 12.991 10.305 ( 9.309 -2.357 -4.814) 10.742 10.889 ( -0.968 -19.078 -8.845) 21.051 12.168 ( -9.944 4.674 11.264) 15.736 12.845 ( 16.129 -14.261 1.229) 21.565 13.812 ( 7.358 -4.221 -6.275) 10.552 14.546 ( -0.538 -5.009 -15.098) 15.916 15.739 ( 4.610 -3.512 10.014) 11.570 17.492 ( -3.185 6.056 1.791) 7.073 18.001 ( -7.417 -0.704 9.648) 12.189 19.956 ( -8.830 1.714 -14.997) 17.488 36.452 ( 4.974 2.911 3.337) 6.659 37.116 ( 7.534 -2.086 -4.490) 9.015 40.652 ( -2.547 13.149 -6.922) 15.076 41.816 ( -4.318 -6.704 -7.789) 11.147 60.230 ( -9.038 11.124 21.178) 25.573 65.073 ( -65.904 52.238 -72.491) 111.028 ======================= Grid point 478 (147/378) ======================= q-point: ( 0.12 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 15.158 18.031 20.383) 31.151 3.063 ( 27.641 22.082 22.551) 41.954 4.407 ( 19.791 18.096 20.548) 33.785 5.065 ( 27.082 -1.807 -8.109) 28.327 5.607 ( 11.446 13.108 7.718) 19.038 6.859 ( 1.400 15.056 15.887) 21.933 8.998 ( -0.235 4.425 -0.204) 4.436 9.881 ( 4.232 3.206 3.064) 6.130 10.513 ( 7.476 -15.677 -7.650) 18.978 10.948 ( 11.596 -3.581 -3.112) 12.529 12.146 ( 7.799 4.178 11.187) 14.263 13.097 ( 9.641 -14.321 -1.430) 17.323 14.023 ( 13.242 -6.733 -5.501) 15.842 14.521 ( -1.843 -3.421 -16.854) 17.296 15.861 ( 7.241 -7.976 8.028) 13.435 17.410 ( -4.810 7.277 3.255) 9.310 17.804 ( -11.933 1.289 9.363) 15.222 19.731 ( -13.108 1.894 -10.698) 17.026 36.594 ( 9.191 3.117 3.167) 10.209 37.309 ( 11.262 -4.073 -5.666) 13.248 40.590 ( -3.404 12.064 -3.294) 12.960 41.702 ( -6.857 -5.282 -6.913) 11.077 59.976 ( -16.125 12.872 19.321) 28.267 63.552 ( -79.883 58.280 -37.275) 105.676 ======================= Grid point 479 (148/378) ======================= q-point: ( 0.18 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 19.905 12.070 16.412) 28.482 3.499 ( 17.405 23.405 23.551) 37.488 4.813 ( 16.648 2.355 1.159) 16.853 5.511 ( 17.709 1.048 -7.075) 19.099 6.047 ( 31.965 13.659 15.776) 38.174 6.991 ( 13.704 6.810 16.396) 22.428 9.033 ( 3.719 5.435 -2.325) 6.984 9.862 ( -4.982 6.281 2.878) 8.518 10.552 ( -0.776 -16.218 -6.477) 17.481 11.375 ( 27.259 0.443 -4.759) 27.675 12.429 ( 18.916 -2.527 9.613) 21.368 13.253 ( 6.942 -8.753 -2.766) 11.509 14.278 ( 9.138 -11.356 -0.188) 14.577 14.512 ( 4.132 1.465 -22.248) 22.676 16.007 ( 6.996 -11.151 5.940) 14.442 17.316 ( -4.326 10.094 3.335) 11.478 17.551 ( -13.021 1.429 10.401) 16.726 19.455 ( -14.603 1.453 -7.544) 16.500 36.808 ( 12.156 3.386 2.801) 12.926 37.539 ( 11.613 -4.625 -6.019) 13.874 40.528 ( -2.618 10.000 0.156) 10.338 41.553 ( -8.036 -4.186 -6.099) 10.922 59.613 ( -19.856 15.157 16.485) 29.929 62.084 ( -66.644 51.859 -17.038) 86.146 ======================= Grid point 480 (149/378) ======================= q-point: ( 0.24 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( 21.530 6.398 13.510) 26.211 3.805 ( 14.357 18.634 20.038) 30.901 5.018 ( 5.394 -2.487 -5.015) 7.774 5.738 ( 4.570 5.213 -3.116) 7.601 6.785 ( 40.617 8.320 17.047) 44.828 7.413 ( 26.935 -4.270 13.431) 30.399 9.142 ( 7.223 5.855 -3.841) 10.061 9.736 ( -6.712 4.643 2.498) 8.535 10.539 ( -0.128 -12.858 -6.988) 14.634 11.906 ( 24.289 2.027 -10.626) 26.590 12.823 ( 19.254 -10.323 9.724) 23.913 13.404 ( 9.246 -2.568 -2.705) 9.970 14.324 ( -0.538 -6.285 -3.571) 7.248 14.748 ( 15.830 -1.261 -18.464) 24.353 16.126 ( 4.858 -10.744 4.607) 12.659 17.223 ( -7.168 13.852 -5.434) 16.516 17.331 ( -6.500 -0.807 19.855) 20.907 19.157 ( -15.326 1.199 -5.576) 16.353 37.066 ( 13.601 3.631 2.177) 14.245 37.757 ( 10.170 -3.728 -5.628) 12.206 40.491 ( -1.102 7.412 2.518) 7.905 41.388 ( -8.546 -3.495 -5.034) 10.516 59.214 ( -19.828 17.254 13.110) 29.372 60.922 ( -51.122 41.464 -8.500) 66.370 ======================= Grid point 481 (150/378) ======================= q-point: ( 0.29 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 19.844 2.395 12.101) 23.365 4.084 ( 14.051 10.976 14.709) 23.115 5.074 ( 0.891 -4.278 -4.074) 5.974 5.729 ( -4.249 6.689 0.409) 7.935 7.574 ( 37.298 0.174 14.871) 40.154 7.960 ( 26.326 -10.305 10.545) 30.174 9.312 ( 9.696 5.008 -3.313) 11.405 9.625 ( -3.850 -1.217 0.282) 4.048 10.555 ( 1.968 -8.929 -9.103) 12.902 12.260 ( 9.816 6.651 -18.610) 22.066 13.165 ( 15.909 -14.405 10.424) 23.859 13.646 ( 14.825 -2.152 -0.273) 14.983 14.343 ( 3.104 -1.511 -4.771) 5.889 15.055 ( 14.327 -1.588 -17.051) 22.328 16.196 ( 2.213 -6.520 4.421) 8.183 17.041 ( -8.741 5.621 -2.260) 10.636 17.304 ( 1.694 6.515 16.491) 17.812 18.850 ( -15.684 1.524 -3.976) 16.252 37.336 ( 13.488 3.759 1.280) 14.060 37.936 ( 7.739 -2.078 -4.908) 9.397 40.485 ( 0.538 4.835 3.849) 6.204 41.218 ( -8.558 -3.013 -3.507) 9.727 58.849 ( -16.626 18.783 9.736) 26.907 60.036 ( -38.807 33.131 -4.743) 51.246 ======================= Grid point 482 (151/378) ======================= q-point: ( 0.35 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.204 ( 15.022 1.042 11.583) 18.998 4.371 ( 15.004 2.513 9.594) 17.986 5.064 ( -1.726 -5.674 -2.116) 6.297 5.602 ( -8.116 5.618 2.889) 10.285 8.209 ( 25.746 -7.310 12.741) 29.642 8.409 ( 18.660 -11.709 9.021) 23.805 9.508 ( 8.952 1.455 1.963) 9.279 9.605 ( 2.761 -9.165 -5.145) 10.867 10.625 ( 5.266 -3.725 -12.911) 14.433 12.287 ( -5.746 11.116 -22.306) 25.576 13.484 ( 16.090 -13.049 8.836) 22.522 13.943 ( 13.846 -6.315 1.783) 15.322 14.452 ( 7.897 2.631 -5.204) 9.816 15.280 ( 7.444 1.053 -16.850) 18.451 16.221 ( 0.854 -2.197 5.185) 5.696 16.916 ( -3.644 1.804 -0.918) 4.168 17.370 ( 4.718 7.973 13.548) 16.413 18.540 ( -15.455 2.447 -2.107) 15.789 37.591 ( 11.952 3.658 0.145) 12.501 38.060 ( 4.685 -0.200 -4.075) 6.212 40.511 ( 2.091 2.579 4.379) 5.496 41.052 ( -8.084 -2.574 -1.605) 8.634 58.570 ( -11.244 19.853 6.718) 23.784 59.369 ( -28.773 27.943 -2.528) 40.188 ======================= Grid point 483 (152/378) ======================= q-point: ( 0.41 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.453 ( 10.432 -1.286 9.435) 14.124 4.667 ( 14.419 -1.930 7.208) 16.236 5.011 ( -3.456 -6.398 -0.250) 7.276 5.420 ( -10.082 3.687 4.924) 11.810 8.568 ( 10.946 -11.412 9.998) 18.709 8.706 ( 11.335 -12.992 8.882) 19.395 9.625 ( 4.627 -12.717 1.376) 13.602 9.748 ( 8.581 -7.055 -1.954) 11.279 10.763 ( 8.287 1.325 -18.848) 20.632 12.099 ( -11.651 14.113 -21.639) 28.340 13.775 ( 12.634 -11.168 7.071) 18.285 14.158 ( 7.332 -8.066 1.629) 11.021 14.652 ( 12.108 5.631 -6.099) 14.680 15.322 ( -3.344 5.458 -14.467) 15.820 16.250 ( 2.248 -2.697 4.773) 5.926 16.887 ( 0.194 1.646 -0.947) 1.909 17.486 ( 6.811 7.177 10.564) 14.474 18.245 ( -14.055 3.948 0.399) 14.605 37.801 ( 9.119 3.182 -1.166) 9.728 38.120 ( 1.439 1.657 -3.127) 3.820 40.567 ( 3.491 0.743 4.224) 5.530 40.901 ( -7.178 -2.042 0.423) 7.474 58.411 ( -4.655 20.704 4.094) 21.613 58.891 ( -19.611 25.074 -0.667) 31.840 ======================= Grid point 484 (153/378) ======================= q-point: ( 0.47 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.613 ( 5.028 -4.267 7.397) 9.910 4.913 ( 5.333 -4.661 3.786) 8.031 4.958 ( 3.338 -4.361 2.397) 5.992 5.213 ( -10.106 2.359 7.507) 12.809 8.695 ( 2.851 -12.244 6.719) 14.254 8.849 ( 3.263 -15.323 10.295) 18.746 9.702 ( 2.383 -17.539 0.761) 17.716 9.874 ( 3.501 -9.227 1.582) 9.995 10.915 ( 5.402 3.802 -24.820) 25.684 11.895 ( -6.857 16.263 -19.260) 26.124 13.959 ( 5.193 -10.313 7.202) 13.609 14.239 ( 1.484 -7.571 0.094) 7.716 14.913 ( 13.408 7.169 -8.653) 17.494 15.172 ( -10.781 7.730 -9.521) 16.329 16.294 ( 1.512 -4.433 3.290) 5.724 16.900 ( 0.560 2.846 -1.158) 3.123 17.624 ( 6.002 5.139 7.174) 10.673 18.006 ( -8.631 6.136 3.505) 11.155 37.939 ( 4.200 2.175 -2.571) 5.384 38.124 ( -0.588 3.410 -1.972) 3.983 40.646 ( 4.237 -0.776 3.356) 5.460 40.772 ( -5.478 -1.199 2.329) 6.072 58.382 ( 1.100 21.359 1.586) 21.446 58.598 ( -9.239 23.670 1.434) 25.450 ======================= Grid point 493 (154/378) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 0.000 25.300 18.055) 31.082 2.905 ( 0.000 29.373 13.678) 32.402 4.297 ( 0.000 -2.288 -4.172) 4.758 4.645 ( 0.000 16.027 12.019) 20.033 5.791 ( 0.000 24.464 17.118) 29.858 7.310 ( 0.000 22.445 19.715) 29.874 9.201 ( 0.000 5.311 -1.480) 5.513 9.442 ( 0.000 -4.601 4.482) 6.423 10.230 ( 0.000 0.330 -4.389) 4.401 10.483 ( 0.000 -17.372 -11.776) 20.987 12.184 ( 0.000 -17.172 9.425) 19.589 12.543 ( 0.000 3.508 6.890) 7.732 13.656 ( 0.000 -4.696 -5.564) 7.281 14.322 ( 0.000 -16.268 -7.069) 17.738 15.640 ( 0.000 -4.228 15.913) 16.465 17.596 ( 0.000 3.811 6.396) 7.445 18.174 ( 0.000 7.873 -3.398) 8.575 19.999 ( 0.000 -5.282 -17.265) 18.055 36.465 ( 0.000 3.591 2.960) 4.653 37.017 ( 0.000 -1.235 -3.208) 3.438 40.881 ( 0.000 7.831 -9.664) 12.439 41.717 ( 0.000 -7.256 -8.793) 11.400 60.748 ( 0.000 31.925 11.742) 34.016 66.117 ( 0.000 -7.221 -80.638) 80.961 ======================= Grid point 494 (155/378) ======================= q-point: ( 0.06 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 19.987 23.355 17.360) 35.303 2.971 ( 10.856 27.358 12.756) 32.079 4.484 ( 16.336 0.292 -2.054) 16.467 4.661 ( 3.463 11.043 7.422) 13.749 5.818 ( 3.130 24.126 18.016) 30.272 7.270 ( -3.794 21.373 19.642) 29.274 9.130 ( -3.651 4.152 -1.823) 5.821 9.634 ( 14.387 -3.713 3.910) 15.365 10.198 ( -1.471 -7.552 -8.446) 11.425 10.617 ( 12.017 -7.841 -7.250) 16.077 12.120 ( -3.735 -10.613 10.674) 15.509 12.673 ( 10.570 -2.665 5.511) 12.215 13.717 ( 5.973 -5.271 -4.871) 9.337 14.334 ( 1.234 -15.098 -8.904) 17.571 15.655 ( 1.555 -5.383 15.360) 16.350 17.570 ( -2.471 4.153 7.020) 8.522 18.112 ( -6.075 8.435 -3.719) 11.040 19.917 ( -7.978 -4.752 -15.693) 18.235 36.517 ( 5.118 3.662 2.986) 6.966 37.078 ( 6.026 -1.807 -3.349) 7.127 40.853 ( -2.637 7.964 -8.621) 12.029 41.683 ( -3.305 -6.842 -8.524) 11.419 60.659 ( -8.869 31.552 11.499) 34.734 65.572 ( -51.446 2.016 -69.017) 86.105 ======================= Grid point 495 (156/378) ======================= q-point: ( 0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 9.512 22.100 12.665) 27.190 3.505 ( 30.076 22.897 16.260) 41.149 4.660 ( 5.403 6.825 3.290) 9.306 5.022 ( 27.577 -2.599 -5.605) 28.260 5.948 ( 11.218 21.667 20.086) 31.603 7.182 ( -4.270 17.434 19.543) 26.536 9.095 ( 0.104 3.778 -3.354) 5.053 9.848 ( 4.013 -5.512 -1.891) 7.075 10.248 ( 7.628 -8.361 -5.261) 12.481 10.929 ( 19.522 0.180 -3.632) 19.857 12.110 ( 3.637 -9.167 10.987) 14.765 12.903 ( 12.087 -4.720 4.017) 13.584 13.877 ( 9.587 -7.363 -2.173) 12.282 14.375 ( 3.254 -11.047 -14.468) 18.492 15.705 ( 3.561 -7.949 13.614) 16.162 17.506 ( -3.801 4.789 8.673) 10.612 17.944 ( -10.463 9.756 -4.388) 14.964 19.706 ( -12.652 -3.834 -12.195) 17.986 36.663 ( 9.451 3.872 3.021) 10.651 37.242 ( 10.095 -2.862 -3.536) 11.073 40.784 ( -4.142 8.039 -6.041) 10.876 41.592 ( -5.747 -5.963 -7.851) 11.412 60.410 ( -15.813 30.568 10.798) 36.070 64.289 ( -72.657 17.867 -45.927) 87.793 ======================= Grid point 496 (157/378) ======================= q-point: ( 0.18 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 13.477 15.812 10.968) 23.493 3.976 ( 16.362 24.965 18.983) 35.374 4.814 ( 9.174 -2.448 -5.031) 10.746 5.550 ( 23.368 2.509 -4.048) 23.849 6.309 ( 25.439 12.692 19.081) 34.239 7.142 ( 1.682 8.616 19.114) 21.033 9.128 ( 2.977 1.843 -4.622) 5.798 9.827 ( -3.951 -4.913 -8.843) 10.861 10.406 ( 6.046 -0.567 2.823) 6.696 11.391 ( 26.408 1.071 -4.343) 26.784 12.265 ( 11.361 -14.523 9.930) 20.943 13.143 ( 12.088 -2.288 2.922) 12.645 14.060 ( 8.039 -9.294 1.498) 12.379 14.487 ( 8.701 -5.269 -21.391) 23.686 15.798 ( 5.803 -9.629 10.716) 15.531 17.426 ( -4.319 4.563 10.024) 11.830 17.719 ( -11.501 11.556 -4.089) 16.809 19.435 ( -14.363 -3.099 -8.634) 17.042 36.882 ( 12.449 4.169 2.962) 13.459 37.462 ( 11.687 -3.362 -3.433) 12.637 40.699 ( -4.182 7.522 -3.053) 9.132 41.462 ( -7.237 -5.133 -6.879) 11.227 60.054 ( -19.514 29.281 9.716) 36.505 62.861 ( -68.804 26.704 -26.887) 78.549 ======================= Grid point 497 (158/378) ======================= q-point: ( 0.24 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.592 ( 15.745 9.189 9.859) 20.726 4.198 ( 7.866 20.621 17.518) 28.178 4.961 ( 4.836 -2.623 -5.007) 7.439 5.871 ( 7.760 8.164 -0.021) 11.264 6.901 ( 32.323 1.937 14.885) 35.638 7.308 ( 15.548 -5.269 15.882) 22.841 9.204 ( 4.394 -2.976 -4.860) 7.196 9.733 ( -5.103 1.127 -9.076) 10.473 10.488 ( 3.166 4.892 3.514) 6.804 11.922 ( 25.521 -0.299 -7.958) 26.735 12.527 ( 14.438 -19.157 9.802) 25.914 13.375 ( 11.062 -0.992 1.657) 11.229 14.193 ( 6.144 -5.408 -0.371) 8.193 14.721 ( 14.248 -3.321 -21.662) 26.140 15.932 ( 7.628 -8.425 7.219) 13.465 17.307 ( -8.696 3.476 4.337) 10.320 17.540 ( -5.136 13.006 3.493) 14.413 19.146 ( -14.733 -2.238 -5.642) 15.935 37.145 ( 13.829 4.460 2.711) 14.781 37.692 ( 11.248 -2.942 -2.982) 12.002 40.625 ( -3.157 6.272 -0.488) 7.039 41.310 ( -7.982 -4.491 -5.535) 10.701 59.661 ( -19.580 27.995 8.367) 35.172 61.619 ( -56.071 28.457 -15.234) 64.698 ======================= Grid point 498 (159/378) ======================= q-point: ( 0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.908 ( 15.752 3.382 9.272) 18.589 4.333 ( 6.302 13.152 14.451) 20.531 5.006 ( 0.059 -1.653 -2.108) 2.679 5.877 ( -5.531 8.357 4.331) 10.917 7.525 ( 29.417 -6.891 11.627) 32.373 7.698 ( 21.484 -14.568 11.356) 28.333 9.288 ( 3.622 -10.605 -3.878) 11.858 9.642 ( -3.541 7.728 -5.660) 10.213 10.565 ( 5.215 7.915 -1.861) 9.659 12.324 ( 13.190 -0.499 -11.424) 17.456 12.840 ( 17.698 -17.750 8.493) 26.465 13.580 ( 9.864 -4.658 0.688) 10.930 14.335 ( 8.609 0.974 -3.450) 9.325 15.017 ( 14.771 -3.077 -18.917) 24.197 16.089 ( 7.832 -4.333 4.044) 9.822 17.104 ( -10.393 4.238 -1.937) 11.389 17.510 ( 1.085 11.183 11.244) 15.895 18.855 ( -14.543 -0.900 -2.956) 14.868 37.419 ( 13.543 4.632 2.210) 14.483 37.898 ( 9.335 -1.802 -2.298) 9.781 40.578 ( -1.600 4.540 1.358) 5.002 41.150 ( -8.073 -3.947 -3.810) 9.760 59.299 ( -16.457 26.908 6.877) 32.282 60.642 ( -42.851 27.478 -8.504) 51.610 ======================= Grid point 499 (160/378) ======================= q-point: ( 0.35 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 13.219 -0.835 8.903) 15.959 4.466 ( 7.605 6.005 11.821) 15.285 4.975 ( -2.952 -2.584 0.139) 3.926 5.707 ( -10.726 5.011 6.943) 13.725 8.024 ( 20.116 -12.775 9.557) 25.674 8.094 ( 17.712 -18.528 9.213) 27.237 9.333 ( 0.936 -15.106 -2.820) 15.396 9.613 ( 0.796 6.985 -0.565) 7.053 10.705 ( 8.847 10.405 -9.900) 16.869 12.430 ( -1.340 3.022 -12.404) 12.837 13.209 ( 18.251 -14.540 4.193) 23.708 13.775 ( 9.740 -10.385 0.901) 14.266 14.536 ( 11.597 5.546 -5.429) 13.954 15.274 ( 10.330 -1.862 -17.020) 19.996 16.218 ( 4.522 0.971 2.250) 5.143 16.939 ( -5.364 2.971 -3.474) 7.047 17.559 ( 3.665 9.736 13.104) 16.732 18.573 ( -13.813 0.950 -0.170) 13.847 37.672 ( 11.720 4.575 1.446) 12.664 38.055 ( 6.433 -0.284 -1.478) 6.607 40.563 ( 0.140 2.660 2.456) 3.623 40.994 ( -7.547 -3.376 -1.849) 8.472 59.024 ( -11.032 26.138 5.318) 28.865 59.911 ( -31.224 26.343 -4.291) 41.077 ======================= Grid point 500 (161/378) ======================= q-point: ( 0.41 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.414 ( 8.369 -2.841 8.498) 12.261 4.646 ( 10.286 -0.435 9.446) 13.972 4.901 ( -4.040 -4.084 1.746) 6.004 5.476 ( -12.127 1.965 8.858) 15.146 8.317 ( 10.065 -14.637 8.676) 19.769 8.377 ( 10.253 -19.993 8.525) 24.032 9.344 ( 0.664 -14.451 -1.761) 14.573 9.655 ( 2.726 -1.772 3.215) 4.573 10.902 ( 10.449 11.803 -17.372) 23.458 12.325 ( -7.890 8.668 -13.517) 17.891 13.526 ( 13.170 -14.221 2.891) 19.597 13.947 ( 7.072 -12.821 0.622) 14.655 14.789 ( 13.697 7.617 -7.668) 17.448 15.391 ( 0.773 1.095 -15.532) 15.589 16.264 ( 0.742 3.715 2.252) 4.408 16.901 ( 0.858 1.333 -4.702) 4.962 17.649 ( 5.237 8.540 12.676) 16.157 18.314 ( -12.056 3.079 2.912) 12.779 37.874 ( 8.482 4.197 0.449) 9.474 38.150 ( 3.121 1.309 -0.536) 3.427 40.583 ( 1.836 0.878 2.804) 3.465 40.854 ( -6.460 -2.664 0.096) 6.988 58.871 ( -4.327 25.732 3.629) 26.345 59.396 ( -20.923 25.694 -1.240) 33.158 ======================= Grid point 501 (162/378) ======================= q-point: ( 0.47 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.539 ( 3.991 -3.490 8.279) 9.831 4.776 ( -0.687 -8.044 3.252) 8.703 4.898 ( 6.502 -2.139 5.704) 8.910 5.250 ( -9.304 1.096 11.583) 14.897 8.444 ( 3.132 -14.277 8.053) 16.688 8.501 ( 2.721 -19.962 8.820) 21.992 9.360 ( 0.676 -15.200 -0.954) 15.245 9.698 ( 1.245 -7.550 4.738) 9.001 11.076 ( 5.574 11.663 -22.408) 25.869 12.180 ( -4.967 12.593 -13.263) 18.951 13.711 ( 5.013 -14.935 3.599) 16.160 14.040 ( 2.216 -12.402 -0.521) 12.610 15.065 ( 13.495 7.404 -11.042) 18.943 15.303 ( -8.936 4.830 -12.221) 15.891 16.273 ( 0.360 2.861 2.184) 3.617 16.931 ( 1.196 1.193 -5.704) 5.949 17.753 ( 4.298 7.405 11.033) 13.966 18.117 ( -6.758 4.957 5.880) 10.239 37.996 ( 3.429 3.579 -0.616) 4.994 38.183 ( 0.554 2.612 0.458) 2.709 40.632 ( 2.752 -0.685 2.324) 3.667 40.744 ( -4.320 -1.695 1.820) 4.985 58.849 ( 1.418 25.684 1.526) 25.768 59.085 ( -9.813 25.350 1.461) 27.222 ======================= Grid point 510 (163/378) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 558 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( 0.000 22.545 12.980) 26.014 3.460 ( 0.000 27.115 5.906) 27.751 4.233 ( 0.000 -4.426 -1.657) 4.726 4.743 ( 0.000 -3.136 -5.285) 6.146 6.379 ( 0.000 32.713 29.920) 44.332 7.711 ( 0.000 17.474 20.401) 26.861 9.230 ( 0.000 -2.961 0.078) 2.962 9.368 ( 0.000 -3.034 4.829) 5.703 10.224 ( 0.000 -0.819 -4.658) 4.729 10.305 ( 0.000 -0.619 -11.630) 11.647 11.837 ( 0.000 -17.688 12.723) 21.788 12.612 ( 0.000 3.435 5.706) 6.660 13.565 ( 0.000 -4.457 -4.892) 6.618 13.982 ( 0.000 -17.480 -4.304) 18.003 15.536 ( 0.000 -6.022 21.808) 22.624 17.699 ( 0.000 6.518 2.638) 7.032 18.300 ( 0.000 4.397 -6.433) 7.792 19.882 ( 0.000 -6.057 -17.262) 18.293 36.536 ( 0.000 3.562 2.454) 4.325 36.990 ( 0.000 -1.528 -2.617) 3.031 40.999 ( 0.000 4.774 -9.225) 10.387 41.585 ( 0.000 -6.194 -10.203) 11.936 61.510 ( 0.000 45.713 0.521) 45.716 65.656 ( 0.000 -37.287 -61.260) 71.716 ======================= Grid point 511 (164/378) ======================= q-point: ( 0.06 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 19.977 21.199 12.430) 31.670 3.490 ( 5.138 25.471 5.621) 26.585 4.437 ( 19.511 -3.959 -1.767) 19.987 4.725 ( -1.509 -3.415 -5.390) 6.556 6.375 ( -0.076 30.390 29.303) 42.217 7.651 ( -5.816 16.685 20.248) 26.874 9.146 ( -4.393 -2.743 -0.185) 5.182 9.545 ( 12.657 -5.243 4.486) 14.416 10.145 ( -1.497 3.729 -9.689) 10.490 10.532 ( 16.563 -2.564 -6.402) 17.941 11.828 ( -0.557 -16.886 12.974) 21.302 12.689 ( 7.405 2.525 5.446) 9.533 13.620 ( 5.279 -4.467 -4.130) 8.054 14.017 ( 3.531 -16.470 -6.559) 18.077 15.538 ( 0.402 -6.231 21.445) 22.335 17.678 ( -2.140 6.556 3.188) 7.598 18.249 ( -5.039 4.976 -6.815) 9.828 19.807 ( -7.284 -5.781 -16.113) 18.604 36.589 ( 5.248 3.621 2.546) 6.866 37.044 ( 5.374 -1.751 -2.545) 6.198 40.975 ( -2.378 4.929 -8.594) 10.188 41.557 ( -2.784 -6.009 -9.905) 11.915 61.406 ( -10.320 44.550 0.773) 45.736 65.271 ( -37.120 -30.161 -55.381) 73.175 ======================= Grid point 512 (165/378) ======================= q-point: ( 0.12 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( 4.874 21.717 6.623) 23.222 3.925 ( 30.758 19.786 10.775) 38.126 4.677 ( -0.799 -4.186 -5.680) 7.100 4.967 ( 30.323 -3.109 -2.452) 30.580 6.396 ( 2.811 22.907 27.400) 35.824 7.496 ( -9.280 14.010 19.815) 25.981 9.081 ( -2.331 -5.047 -0.908) 5.632 9.765 ( 7.873 -1.783 -0.940) 8.127 10.213 ( 8.425 3.746 -6.023) 11.014 10.921 ( 22.375 -1.455 -4.534) 22.876 11.837 ( 2.105 -16.392 13.013) 21.035 12.885 ( 11.858 1.267 5.060) 12.955 13.758 ( 8.227 -4.661 -2.479) 9.775 14.127 ( 7.740 -13.596 -12.253) 19.871 15.563 ( 2.465 -6.450 19.944) 21.105 17.619 ( -3.638 6.554 4.719) 8.858 18.108 ( -8.927 6.418 -7.674) 13.408 19.612 ( -11.919 -5.230 -13.171) 18.517 36.739 ( 9.694 3.795 2.774) 10.774 37.194 ( 9.472 -2.196 -2.289) 9.989 40.910 ( -4.057 5.214 -6.911) 9.560 41.478 ( -5.075 -5.580 -9.060) 11.789 61.117 ( -18.250 41.436 1.438) 45.300 64.299 ( -57.692 -14.776 -41.954) 72.848 ======================= Grid point 513 (166/378) ======================= q-point: ( 0.18 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( 7.396 16.846 5.851) 19.306 4.417 ( 12.769 17.794 10.812) 24.425 4.741 ( 11.189 -2.883 -4.050) 12.244 5.589 ( 30.011 1.101 -2.702) 30.152 6.516 ( 10.031 8.344 23.744) 27.092 7.314 ( -7.932 8.626 18.815) 22.166 9.049 ( -0.989 -8.088 -0.846) 8.192 9.857 ( 2.316 7.304 -9.700) 12.362 10.420 ( 10.689 1.064 2.701) 11.076 11.401 ( 25.512 -0.364 -4.540) 25.916 11.931 ( 7.685 -17.684 11.959) 22.689 13.131 ( 12.196 -0.020 4.783) 13.101 13.931 ( 9.196 -4.309 -3.072) 10.610 14.328 ( 12.592 -9.761 -16.702) 23.083 15.648 ( 6.277 -5.855 16.476) 18.578 17.536 ( -4.772 6.477 6.232) 10.176 17.913 ( -10.064 7.866 -7.670) 14.899 19.355 ( -13.587 -4.610 -9.451) 17.181 36.964 ( 12.741 4.051 3.017) 13.706 37.406 ( 11.645 -2.437 -1.799) 12.033 40.822 ( -4.665 5.249 -4.681) 8.440 41.361 ( -6.651 -5.110 -7.749) 11.419 60.709 ( -22.288 37.268 2.287) 43.485 63.107 ( -60.217 -0.667 -28.139) 66.471 ======================= Grid point 514 (167/378) ======================= q-point: ( 0.24 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( 9.695 11.112 5.779) 15.839 4.494 ( 0.299 5.801 4.866) 7.577 5.002 ( 9.756 10.376 5.711) 15.345 6.039 ( 12.023 8.692 0.892) 14.863 6.807 ( 19.239 -11.032 17.217) 28.076 7.260 ( 4.776 0.023 15.092) 15.830 9.041 ( 0.119 -10.142 -0.230) 10.146 9.873 ( -0.672 10.425 -11.284) 15.377 10.609 ( 8.552 6.229 4.842) 11.635 11.889 ( 21.986 -3.336 -4.554) 22.699 12.154 ( 15.496 -17.292 9.015) 24.908 13.340 ( 8.397 -2.895 3.574) 9.575 14.131 ( 11.248 -1.354 -6.169) 12.900 14.615 ( 15.941 -6.546 -17.205) 24.351 15.811 ( 9.899 -4.347 11.200) 15.566 17.418 ( -7.583 7.426 3.536) 11.187 17.743 ( -6.192 7.677 -2.564) 10.191 19.085 ( -13.523 -3.631 -5.661) 15.103 37.232 ( 14.070 4.315 3.148) 15.049 37.642 ( 11.866 -2.224 -1.096) 12.122 40.732 ( -4.246 4.774 -2.427) 6.835 41.220 ( -7.472 -4.662 -6.048) 10.684 60.262 ( -22.165 32.980 3.065) 39.854 61.980 ( -52.462 8.538 -17.486) 55.955 ======================= Grid point 515 (168/378) ======================= q-point: ( 0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.993 ( 10.522 5.517 6.061) 13.337 4.498 ( 0.573 1.822 5.167) 5.509 5.088 ( -0.319 11.829 8.825) 14.762 6.040 ( -9.126 7.755 8.703) 14.804 7.241 ( 22.884 -19.014 9.881) 31.350 7.496 ( 16.340 -8.334 9.548) 20.678 9.053 ( 1.111 -10.543 0.543) 10.616 9.832 ( -3.277 9.341 -6.810) 12.016 10.778 ( 8.938 12.681 -0.026) 15.514 12.222 ( 12.284 -9.352 0.169) 15.439 12.543 ( 21.765 -12.176 0.730) 24.949 13.468 ( 5.136 -6.531 1.029) 8.372 14.377 ( 13.324 3.000 -8.222) 15.942 14.937 ( 15.848 -4.644 -16.501) 23.346 16.025 ( 11.191 -2.554 5.830) 12.875 17.241 ( -9.624 9.559 -2.595) 13.810 17.680 ( -0.497 5.843 6.326) 8.626 18.824 ( -12.770 -2.042 -1.972) 13.082 37.509 ( 13.628 4.487 3.074) 14.673 37.865 ( 10.423 -1.560 -0.250) 10.542 40.658 ( -3.080 3.788 -0.510) 4.909 41.070 ( -7.541 -4.179 -4.081) 9.538 59.854 ( -18.553 29.212 3.566) 34.789 61.049 ( -41.376 13.865 -10.110) 44.793 ======================= Grid point 516 (169/378) ======================= q-point: ( 0.35 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.194 ( 9.400 0.604 6.516) 11.453 4.529 ( 2.805 -0.762 6.329) 6.964 5.023 ( -5.515 8.492 9.553) 13.921 5.785 ( -14.890 2.593 12.117) 19.371 7.659 ( 18.422 -20.254 6.788) 28.208 7.811 ( 14.101 -13.572 6.956) 20.771 9.085 ( 2.164 -9.051 1.078) 9.369 9.754 ( -4.409 6.522 -0.678) 7.902 10.969 ( 10.316 15.635 -7.344) 20.119 12.392 ( 4.644 -6.226 -0.967) 7.827 12.947 ( 18.192 -12.672 -2.281) 22.287 13.573 ( 5.987 -9.353 -0.612) 11.122 14.648 ( 13.787 5.513 -9.821) 17.802 15.215 ( 11.515 -3.883 -16.160) 20.220 16.230 ( 8.982 0.116 2.052) 9.214 17.068 ( -7.160 9.887 -5.508) 13.393 17.707 ( 2.908 4.984 11.459) 12.829 18.581 ( -11.720 -0.016 1.665) 11.838 37.761 ( 11.560 4.480 2.748) 12.699 38.047 ( 7.732 -0.601 0.670) 7.784 40.613 ( -1.471 2.467 0.864) 2.999 40.926 ( -6.896 -3.575 -2.053) 8.034 59.543 ( -12.524 26.275 3.636) 29.333 60.340 ( -30.374 17.069 -5.047) 35.205 ======================= Grid point 517 (170/378) ======================= q-point: ( 0.41 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.354 ( 6.804 -2.858 7.290) 10.373 4.611 ( 4.661 -3.708 5.858) 8.354 4.902 ( -5.449 4.664 10.460) 12.683 5.489 ( -14.328 -0.773 13.578) 19.755 7.954 ( 11.223 -20.286 5.866) 23.914 8.031 ( 7.991 -16.372 6.161) 19.232 9.138 ( 3.009 -5.685 1.051) 6.518 9.667 ( -4.063 2.160 4.083) 6.152 11.176 ( 9.997 15.478 -13.527) 22.858 12.409 ( -2.297 -0.593 -4.290) 4.903 13.251 ( 12.278 -13.429 -2.176) 18.326 13.699 ( 6.000 -11.644 -1.065) 13.142 14.918 ( 13.339 5.258 -11.942) 18.660 15.367 ( 3.296 -3.127 -16.223) 16.847 16.362 ( 4.186 5.506 0.638) 6.946 16.975 ( -2.167 6.326 -6.677) 9.450 17.787 ( 4.999 5.347 13.297) 15.179 18.362 ( -10.213 1.849 5.177) 11.599 37.958 ( 8.064 4.263 2.164) 9.375 38.167 ( 4.355 0.428 1.628) 4.669 40.601 ( 0.301 1.030 1.562) 1.895 40.801 ( -5.616 -2.791 -0.210) 6.275 59.366 ( -5.227 24.229 3.119) 24.982 59.839 ( -20.315 19.136 -1.421) 27.944 ======================= Grid point 518 (171/378) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.473 ( 5.005 -3.382 8.343) 10.300 4.630 ( -3.156 -6.535 4.370) 8.471 4.885 ( 3.538 1.109 10.386) 11.028 5.247 ( -8.753 -1.545 15.251) 17.653 8.103 ( 3.934 -19.600 5.663) 20.777 8.130 ( 2.166 -17.883 6.094) 19.016 9.191 ( 1.785 -1.775 0.463) 2.559 9.604 ( -1.942 -2.489 6.842) 7.536 11.332 ( 4.753 14.228 -17.345) 22.932 12.347 ( -2.513 3.306 -5.773) 7.112 13.421 ( 4.585 -13.131 -1.721) 14.015 13.784 ( 2.280 -13.188 -1.183) 13.436 15.165 ( 11.229 2.758 -14.461) 18.516 15.340 ( -5.641 -0.750 -15.485) 16.498 16.409 ( 0.962 10.381 0.692) 10.448 16.962 ( 0.118 1.909 -7.320) 7.566 17.890 ( 4.354 6.371 13.025) 15.139 18.191 ( -6.084 2.596 7.992) 10.375 38.071 ( 3.070 3.964 1.469) 5.225 38.221 ( 1.208 1.192 2.496) 3.018 40.622 ( 1.508 -0.284 1.445) 2.108 40.709 ( -3.327 -1.860 1.272) 4.018 59.332 ( 1.215 23.073 1.729) 23.169 59.537 ( -9.674 20.318 1.446) 22.550 ======================= Grid point 527 (172/378) ======================= q-point: ( 0.00 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 0.000 16.283 9.149) 18.678 3.937 ( 0.000 21.762 0.299) 21.764 4.125 ( 0.000 -6.348 0.889) 6.410 4.598 ( 0.000 -10.829 -5.297) 12.055 6.948 ( 0.000 23.774 30.565) 38.722 7.945 ( 0.000 6.334 17.580) 18.686 9.136 ( 0.000 -4.794 5.067) 6.976 9.325 ( 0.000 -1.385 4.933) 5.124 10.205 ( 0.000 -0.908 -4.699) 4.786 10.385 ( 0.000 5.961 -10.819) 12.353 11.544 ( 0.000 -11.395 14.683) 18.586 12.669 ( 0.000 2.241 4.765) 5.266 13.492 ( 0.000 -2.827 -4.326) 5.168 13.690 ( 0.000 -11.565 -4.791) 12.518 15.429 ( 0.000 -4.378 25.595) 25.967 17.823 ( 0.000 5.522 0.818) 5.582 18.342 ( 0.000 0.350 -8.086) 8.094 19.786 ( 0.000 -3.496 -17.359) 17.708 36.596 ( 0.000 2.411 1.993) 3.129 36.961 ( 0.000 -1.240 -2.092) 2.431 41.073 ( 0.000 2.798 -8.543) 8.990 41.484 ( 0.000 -4.020 -11.742) 12.411 62.479 ( 0.000 52.880 -11.652) 54.149 64.776 ( 0.000 -50.943 -44.164) 67.421 ======================= Grid point 528 (173/378) ======================= q-point: ( 0.06 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( 19.228 15.181 8.564) 25.952 3.939 ( 1.474 20.404 0.151) 20.458 4.342 ( 20.438 -5.407 0.616) 21.150 4.582 ( -1.318 -10.508 -5.227) 11.810 6.899 ( -4.759 21.523 30.356) 37.515 7.879 ( -6.507 6.559 17.584) 19.863 9.066 ( -5.117 -4.006 4.673) 8.004 9.463 ( 11.982 -2.852 4.817) 13.225 10.282 ( 4.439 7.999 -8.217) 12.297 10.488 ( 12.623 -2.261 -7.239) 14.726 11.542 ( 0.053 -11.184 14.856) 18.595 12.735 ( 6.476 1.856 4.622) 8.169 13.555 ( 5.943 -1.923 -4.117) 7.480 13.736 ( 4.747 -11.568 -6.715) 14.194 15.432 ( 0.486 -4.232 25.423) 25.777 17.800 ( -2.287 5.375 1.275) 5.979 18.302 ( -3.989 0.839 -8.445) 9.378 19.715 ( -6.995 -3.413 -16.456) 18.204 36.650 ( 5.345 2.450 2.128) 6.253 37.013 ( 5.125 -1.317 -1.934) 5.634 41.051 ( -2.142 2.900 -8.135) 8.899 41.458 ( -2.580 -3.969 -11.356) 12.303 62.343 ( -13.392 50.763 -10.810) 53.602 64.508 ( -26.135 -45.923 -41.017) 66.891 ======================= Grid point 529 (174/378) ======================= q-point: ( 0.12 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.895 ( 2.332 18.730 1.895) 18.970 4.239 ( 27.581 10.945 4.780) 30.056 4.542 ( 0.073 -8.153 -3.624) 8.923 4.898 ( 32.647 -3.868 -0.500) 32.880 6.776 ( -7.154 14.992 29.592) 33.936 7.699 ( -11.256 6.721 17.526) 21.887 8.970 ( -4.156 -4.768 4.511) 7.769 9.748 ( 15.505 -0.673 2.657) 15.745 10.343 ( 2.824 7.829 -8.986) 12.248 10.870 ( 23.853 -3.438 -4.980) 24.609 11.562 ( 2.396 -10.543 14.867) 18.383 12.911 ( 10.649 0.908 4.662) 11.661 13.701 ( 8.090 -1.278 -5.878) 10.081 13.889 ( 10.972 -9.975 -9.774) 17.760 15.463 ( 3.012 -3.724 24.316) 24.783 17.738 ( -3.866 5.041 2.657) 6.886 18.187 ( -7.396 2.053 -9.410) 12.144 19.525 ( -11.584 -3.264 -13.907) 18.392 36.803 ( 9.880 2.564 2.482) 10.505 37.157 ( 9.213 -1.480 -1.475) 9.447 40.991 ( -3.820 3.128 -6.992) 8.559 41.384 ( -4.788 -3.850 -10.248) 11.948 61.971 ( -23.405 45.145 -8.557) 51.567 63.804 ( -42.975 -33.791 -33.215) 63.969 ======================= Grid point 530 (175/378) ======================= q-point: ( 0.18 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( 2.909 15.991 1.357) 16.310 4.460 ( -0.861 -9.148 -4.520) 10.240 4.883 ( 27.556 12.664 7.522) 31.245 5.586 ( 35.090 -1.218 -1.705) 35.153 6.631 ( -7.064 3.695 28.000) 29.113 7.456 ( -12.411 5.562 16.869) 21.669 8.909 ( -1.997 -5.210 4.746) 7.326 9.999 ( 7.524 5.170 -4.267) 10.077 10.450 ( 9.694 2.211 -2.251) 10.195 11.373 ( 25.786 -2.112 -5.116) 26.374 11.652 ( 7.110 -10.034 13.683) 18.397 13.124 ( 9.896 -0.684 5.287) 11.241 13.874 ( 9.992 -2.130 -11.887) 15.674 14.164 ( 16.294 -6.035 -10.048) 20.072 15.565 ( 7.424 -2.844 20.935) 22.394 17.654 ( -4.371 5.038 4.686) 8.151 18.018 ( -9.404 3.078 -10.337) 14.310 19.277 ( -13.068 -3.060 -10.136) 16.819 37.032 ( 12.974 2.737 2.935) 13.580 37.367 ( 11.618 -1.583 -0.765) 11.751 40.905 ( -4.714 3.284 -5.331) 7.837 41.272 ( -6.356 -3.709 -8.559) 11.287 61.451 ( -28.166 37.721 -5.546) 47.402 62.886 ( -47.839 -20.160 -24.025) 57.203 ======================= Grid point 531 (176/378) ======================= q-point: ( 0.24 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.015 ( 4.717 11.958 1.841) 12.985 4.439 ( -0.826 -8.155 -2.738) 8.642 5.316 ( 14.001 17.560 10.809) 24.924 6.183 ( 17.919 5.328 -0.172) 18.695 6.549 ( 4.514 -13.292 22.780) 26.758 7.267 ( -4.594 0.171 13.952) 14.690 8.892 ( 0.313 -4.715 5.205) 7.030 10.035 ( -2.284 4.984 -7.064) 8.942 10.720 ( 15.599 5.242 1.330) 16.510 11.797 ( 13.965 -4.945 5.568) 15.826 11.910 ( 21.295 -7.989 -0.017) 22.745 13.273 ( 5.114 -3.326 4.205) 7.410 14.119 ( 14.761 -0.370 -15.455) 21.375 14.511 ( 18.078 -3.620 -10.684) 21.309 15.751 ( 11.051 -1.972 15.103) 18.818 17.566 ( -4.737 6.994 4.845) 9.738 17.834 ( -8.373 1.934 -8.293) 11.943 19.022 ( -12.454 -2.506 -5.722) 13.933 37.305 ( 14.276 2.929 3.354) 14.955 37.605 ( 12.166 -1.516 0.115) 12.261 40.810 ( -4.730 3.181 -3.448) 6.662 41.137 ( -7.137 -3.532 -6.483) 10.268 60.890 ( -27.665 30.199 -2.485) 41.031 61.967 ( -43.901 -8.702 -15.823) 47.470 ======================= Grid point 532 (177/378) ======================= q-point: ( 0.29 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.120 ( 5.635 7.478 2.639) 9.728 4.433 ( 0.378 -6.625 0.028) 6.636 5.415 ( -2.928 19.399 15.151) 24.788 6.117 ( -14.611 -2.178 15.767) 21.607 6.933 ( 23.858 -9.816 5.263) 26.330 7.321 ( 9.109 -9.297 8.031) 15.294 8.921 ( 2.595 -3.262 5.664) 7.032 9.956 ( -5.185 3.155 -4.305) 7.441 11.014 ( 13.659 10.467 -0.379) 17.213 12.064 ( 13.299 -4.283 5.439) 14.993 12.326 ( 19.376 -11.185 -3.389) 22.628 13.352 ( 3.775 -4.706 0.535) 6.057 14.435 ( 16.340 2.569 -15.907) 22.949 14.858 ( 16.361 -3.170 -12.242) 20.679 15.986 ( 12.331 -1.372 8.743) 15.178 17.447 ( -7.643 10.874 -3.205) 13.672 17.725 ( -2.029 -1.323 2.924) 3.797 18.788 ( -11.153 -1.422 -1.204) 11.308 37.585 ( 13.729 3.079 3.633) 14.531 37.837 ( 11.001 -1.255 1.069) 11.124 40.723 ( -3.960 2.736 -1.645) 5.087 40.995 ( -7.087 -3.249 -4.260) 8.884 60.382 ( -23.037 23.764 0.092) 33.097 61.174 ( -35.789 -0.358 -9.406) 37.006 ======================= Grid point 533 (178/378) ======================= q-point: ( 0.35 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.227 ( 4.890 2.698 3.904) 6.814 4.462 ( 2.674 -4.819 2.788) 6.176 5.265 ( -10.677 14.773 16.649) 24.686 5.777 ( -18.117 -4.233 17.781) 25.735 7.351 ( 17.903 -9.705 3.225) 20.618 7.544 ( 11.442 -13.174 4.218) 17.952 8.996 ( 4.983 -0.935 5.859) 7.748 9.840 ( -6.359 2.283 -0.602) 6.784 11.260 ( 11.372 12.804 -3.433) 17.465 12.272 ( 6.389 -3.623 1.248) 7.450 12.687 ( 17.706 -14.078 -2.142) 22.722 13.444 ( 5.329 -3.900 -3.388) 7.421 14.741 ( 14.213 3.947 -16.281) 21.970 15.137 ( 11.324 -3.805 -14.136) 18.507 16.229 ( 11.994 -0.072 3.803) 12.583 17.279 ( -8.730 10.437 -8.789) 16.199 17.746 ( 3.674 -0.649 11.724) 12.303 18.578 ( -10.036 -0.099 3.064) 10.494 37.837 ( 11.511 3.144 3.709) 12.496 38.032 ( 8.447 -0.860 2.018) 8.727 40.657 ( -2.599 1.988 -0.181) 3.277 40.862 ( -6.267 -2.797 -2.156) 7.193 59.995 ( -15.759 18.994 1.840) 24.749 60.555 ( -26.760 5.217 -4.644) 27.657 ======================= Grid point 534 (179/378) ======================= q-point: ( 0.41 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( 4.299 -1.165 6.160) 7.602 4.531 ( 3.362 -3.669 3.835) 6.283 5.046 ( -9.943 8.967 17.175) 21.777 5.439 ( -15.417 -4.487 17.817) 23.985 7.637 ( 10.880 -11.029 2.788) 15.742 7.731 ( 7.038 -13.390 3.012) 15.424 9.116 ( 7.013 2.121 5.398) 9.101 9.706 ( -7.178 1.190 2.955) 7.853 11.469 ( 9.516 13.696 -6.925) 18.058 12.313 ( -1.329 -7.730 -0.531) 7.861 13.024 ( 15.584 -9.455 -3.181) 18.503 13.537 ( 3.279 -4.753 -5.035) 7.661 14.993 ( 11.288 2.816 -17.079) 20.665 15.291 ( 4.057 -4.064 -15.935) 16.938 16.454 ( 10.500 3.668 0.580) 11.137 17.114 ( -7.682 6.746 -8.776) 13.473 17.852 ( 6.663 1.587 14.119) 15.693 18.388 ( -9.255 0.848 6.868) 11.556 38.032 ( 7.918 3.156 3.544) 9.232 38.166 ( 4.980 -0.482 2.909) 5.787 40.622 ( -0.882 1.068 0.739) 1.570 40.751 ( -4.816 -2.167 -0.419) 5.297 59.766 ( -7.313 15.881 2.556) 17.670 60.111 ( -18.057 8.685 -1.166) 20.071 ======================= Grid point 535 (180/378) ======================= q-point: ( 0.47 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.413 ( 5.773 -2.417 7.794) 9.995 4.533 ( -3.976 -3.422 5.411) 7.536 4.943 ( -0.001 4.485 15.790) 16.415 5.190 ( -8.579 -4.140 17.896) 20.274 7.785 ( 4.229 -11.947 2.693) 12.957 7.816 ( 1.585 -12.915 2.810) 13.312 9.252 ( 5.470 6.287 3.714) 9.124 9.571 ( -5.326 -1.765 6.254) 8.402 11.616 ( 4.496 14.981 -9.857) 18.488 12.266 ( -2.125 -11.143 -0.300) 11.348 13.267 ( 7.651 -2.571 -6.052) 10.088 13.560 ( -0.546 -9.259 -3.771) 10.012 15.186 ( 8.001 0.069 -17.701) 19.425 15.299 ( -2.989 -2.694 -17.144) 17.609 16.625 ( 5.746 10.467 -1.510) 12.036 16.986 ( -4.513 0.107 -7.088) 8.404 17.993 ( 6.615 4.096 13.564) 15.636 18.217 ( -7.269 0.302 9.841) 12.239 38.143 ( 3.020 3.278 3.156) 5.462 38.229 ( 1.432 -0.383 3.672) 3.960 40.622 ( 0.683 0.243 0.936) 1.184 40.675 ( -2.642 -1.515 0.799) 3.149 59.702 ( 0.514 14.221 2.058) 14.379 59.841 ( -8.913 10.498 1.385) 13.841 ======================= Grid point 544 (181/378) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( 0.000 0.000 7.238) 7.238 4.038 ( 0.000 -0.000 2.410) 2.410 4.249 ( 0.000 0.000 -7.837) 7.837 4.391 ( 0.000 -0.000 2.122) 2.122 7.202 ( 0.000 0.000 30.731) 30.731 7.990 ( 0.000 0.000 14.754) 14.754 9.087 ( 0.000 0.000 8.118) 8.118 9.312 ( 0.000 0.000 4.942) 4.942 10.195 ( 0.000 0.000 -4.684) 4.684 10.453 ( 0.000 0.000 -10.264) 10.264 11.429 ( 0.000 0.000 15.309) 15.309 12.692 ( 0.000 0.000 4.400) 4.400 13.463 ( 0.000 0.000 -4.097) 4.097 13.572 ( 0.000 0.000 -5.480) 5.480 15.384 ( 0.000 0.000 26.843) 26.843 17.883 ( 0.000 0.000 0.868) 0.868 18.339 ( 0.000 0.000 -9.168) 9.168 19.752 ( 0.000 0.000 -17.354) 17.354 36.621 ( 0.000 -0.000 1.792) 1.792 36.948 ( 0.000 0.000 -1.866) 1.866 41.102 ( 0.000 0.000 -8.077) 8.077 41.442 ( 0.000 0.000 -12.561) 12.561 63.306 ( 0.000 0.000 -20.468) 20.468 63.964 ( 0.000 0.000 -33.830) 33.830 ======================= Grid point 546 (182/378) ======================= q-point: ( 0.06 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.832 ( 18.345 0.000 6.619) 19.502 4.203 ( 6.229 0.000 -3.997) 7.401 4.303 ( 14.978 0.000 -1.894) 15.097 4.378 ( -0.728 -0.000 2.143) 2.263 7.125 ( -7.385 0.000 30.608) 31.486 7.931 ( -5.896 0.000 15.116) 16.226 9.025 ( -5.172 0.000 7.798) 9.358 9.435 ( 11.807 0.000 4.681) 12.701 10.383 ( 17.573 0.000 -4.657) 18.180 10.449 ( -0.438 0.000 -10.265) 10.274 11.430 ( 0.318 0.000 15.437) 15.441 12.754 ( 6.064 0.000 4.242) 7.400 13.548 ( 8.291 -0.000 -4.273) 9.328 13.606 ( 3.344 0.000 -7.067) 7.819 15.389 ( 0.681 0.000 26.752) 26.761 17.858 ( -2.475 0.000 1.249) 2.773 18.305 ( -3.468 0.000 -9.463) 10.079 19.681 ( -6.936 0.000 -16.547) 17.942 36.675 ( 5.386 -0.000 1.939) 5.725 36.999 ( 5.058 0.000 -1.682) 5.330 41.081 ( -2.038 0.000 -7.747) 8.010 41.416 ( -2.546 0.000 -12.127) 12.392 63.126 ( -17.650 0.000 -19.059) 25.976 63.768 ( -19.252 0.000 -31.818) 37.189 ======================= Grid point 548 (183/378) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.196 ( 8.842 0.000 3.199) 9.403 4.222 ( -0.043 -0.000 -7.427) 7.427 4.479 ( 19.083 0.000 4.452) 19.596 4.848 ( 34.113 -0.000 0.658) 34.120 6.930 ( -11.922 0.000 30.268) 32.531 7.761 ( -10.945 0.000 15.830) 19.245 8.923 ( -4.506 0.000 7.475) 8.729 9.740 ( 17.555 0.000 3.513) 17.903 10.436 ( -0.605 0.000 -9.528) 9.547 10.825 ( 25.546 0.000 -5.033) 26.037 11.457 ( 2.867 0.000 15.369) 15.634 12.919 ( 10.013 0.000 4.400) 10.937 13.698 ( 5.865 0.000 -11.557) 12.960 13.779 ( 14.613 0.000 -4.881) 15.407 15.426 ( 3.421 0.000 25.853) 26.078 17.791 ( -4.067 0.000 2.498) 4.773 18.203 ( -6.662 0.000 -10.362) 12.319 19.493 ( -11.530 0.000 -14.174) 18.271 36.829 ( 9.960 -0.000 2.334) 10.230 37.142 ( 9.135 0.000 -1.159) 9.209 41.024 ( -3.687 0.000 -6.804) 7.738 41.343 ( -4.744 0.000 -10.884) 11.873 62.640 ( -30.331 0.000 -15.353) 33.996 63.242 ( -32.608 0.000 -26.615) 42.091 ======================= Grid point 550 (184/378) ======================= q-point: ( 0.18 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.225 ( 0.455 0.000 -6.640) 6.656 4.234 ( 0.021 -0.000 1.865) 1.865 5.024 ( 29.407 0.000 5.411) 29.901 5.566 ( 36.823 -0.000 -0.573) 36.827 6.666 ( -14.453 0.000 29.640) 32.976 7.512 ( -13.567 0.000 15.950) 20.940 8.859 ( -1.870 0.000 7.490) 7.719 10.042 ( 9.397 0.000 -0.693) 9.422 10.482 ( 8.338 0.000 -5.340) 9.902 11.348 ( 26.211 0.000 -5.796) 26.844 11.554 ( 7.114 0.000 14.435) 16.093 13.115 ( 8.722 0.000 5.407) 10.262 13.849 ( 10.051 0.000 -17.260) 19.973 14.108 ( 18.159 0.000 -6.001) 19.125 15.537 ( 7.922 0.000 22.672) 24.017 17.707 ( -4.011 0.000 4.843) 6.289 18.045 ( -9.254 0.000 -11.772) 14.974 19.246 ( -12.924 0.000 -10.418) 16.600 37.060 ( 13.079 -0.000 2.860) 13.388 37.350 ( 11.597 0.000 -0.375) 11.603 40.940 ( -4.661 0.000 -5.385) 7.122 41.233 ( -6.305 0.000 -8.998) 10.987 61.974 ( -35.615 0.000 -10.539) 37.142 62.531 ( -37.746 0.000 -20.043) 42.738 ======================= Grid point 552 (185/378) ======================= q-point: ( 0.24 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.238 ( 0.785 0.000 -4.816) 4.880 4.249 ( 1.749 -0.000 2.205) 2.815 5.526 ( 18.965 0.000 7.040) 20.229 6.220 ( 17.726 0.000 2.820) 17.949 6.404 ( -1.218 -0.000 24.021) 24.052 7.267 ( -9.580 0.000 13.998) 16.962 8.850 ( 0.976 0.000 7.792) 7.853 10.074 ( -3.392 0.000 -4.197) 5.396 10.782 ( 18.548 0.000 -1.074) 18.579 11.748 ( 12.803 0.000 12.132) 17.638 11.827 ( 21.356 0.000 -6.560) 22.341 13.237 ( 3.816 0.000 4.261) 5.720 14.114 ( 16.370 0.000 -19.981) 25.831 14.478 ( 18.619 0.000 -7.605) 20.112 15.732 ( 11.385 0.000 16.831) 20.320 17.646 ( -1.865 0.000 8.296) 8.504 17.843 ( -10.865 0.000 -13.194) 17.092 18.996 ( -12.031 0.000 -5.754) 13.337 37.335 ( 14.380 -0.000 3.388) 14.774 37.589 ( 12.234 0.000 0.560) 12.247 40.844 ( -4.841 0.000 -3.703) 6.095 41.099 ( -7.045 -0.000 -6.717) 9.734 61.275 ( -33.975 0.000 -5.776) 34.463 61.791 ( -36.119 0.000 -13.695) 38.628 ======================= Grid point 554 (186/378) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.254 ( 0.740 0.000 -1.909) 2.048 4.305 ( 3.849 -0.000 2.809) 4.765 5.695 ( -2.585 0.000 12.352) 12.620 5.999 ( -17.004 -0.000 23.789) 29.241 6.870 ( 25.158 -0.000 0.714) 25.168 7.205 ( 4.073 0.000 8.500) 9.425 8.897 ( 3.730 0.000 8.111) 8.928 9.978 ( -5.686 0.000 -3.007) 6.433 11.127 ( 15.461 0.000 -0.045) 15.461 12.071 ( 19.560 0.000 7.682) 21.014 12.159 ( 11.431 -0.000 -6.268) 13.037 13.304 ( 4.044 0.000 0.150) 4.047 14.462 ( 17.752 0.000 -20.127) 26.837 14.825 ( 15.954 0.000 -9.669) 18.656 15.973 ( 12.660 0.000 10.163) 16.235 17.622 ( -11.321 -0.000 -13.744) 17.806 17.645 ( 1.949 0.000 12.066) 12.222 18.773 ( -10.488 0.000 -0.899) 10.526 37.617 ( 13.804 -0.000 3.817) 14.322 37.823 ( 11.148 0.000 1.532) 11.253 40.753 ( -4.259 0.000 -2.006) 4.708 40.959 ( -6.905 -0.000 -4.343) 8.157 60.660 ( -27.493 0.000 -1.835) 27.554 61.126 ( -30.659 0.000 -8.347) 31.775 ======================= Grid point 556 (187/378) ======================= q-point: ( 0.35 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.270 ( 1.048 0.000 1.841) 2.118 4.396 ( 5.107 -0.000 3.378) 6.123 5.487 ( -15.577 0.000 17.162) 23.177 5.663 ( -16.468 -0.000 21.794) 27.316 7.289 ( 17.006 -0.000 0.379) 17.010 7.375 ( 10.865 0.000 3.984) 11.572 8.998 ( 6.462 0.000 8.131) 10.386 9.857 ( -6.585 0.000 -0.735) 6.626 11.396 ( 12.258 0.000 0.120) 12.259 12.272 ( 0.437 0.000 -4.793) 4.813 12.496 ( 22.435 0.000 2.502) 22.574 13.409 ( 5.897 0.000 -4.497) 7.416 14.785 ( 14.329 0.000 -20.168) 24.740 15.093 ( 10.751 0.000 -12.195) 16.257 16.229 ( 13.167 0.000 4.743) 13.996 17.400 ( -10.958 0.000 -12.711) 16.782 17.723 ( 5.787 0.000 14.551) 15.659 18.578 ( -9.409 0.000 3.594) 10.073 37.871 ( 11.558 -0.000 4.094) 12.262 38.021 ( 8.615 0.000 2.440) 8.954 40.680 ( -3.047 0.000 -0.546) 3.095 40.831 ( -5.969 -0.000 -2.184) 6.355 60.202 ( -18.501 0.000 0.895) 18.522 60.586 ( -23.723 0.000 -4.135) 24.081 ======================= Grid point 558 (188/378) ======================= q-point: ( 0.41 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.305 ( 2.782 0.000 5.599) 6.252 4.492 ( 3.796 -0.000 3.741) 5.330 5.173 ( -14.057 0.000 19.704) 24.204 5.359 ( -13.953 -0.000 19.272) 23.793 7.549 ( 9.477 -0.000 0.794) 9.510 7.571 ( 8.059 0.000 2.236) 8.363 9.151 ( 8.888 0.000 7.554) 11.665 9.713 ( -8.005 0.000 1.849) 8.216 11.629 ( 11.426 0.000 -0.986) 11.468 12.209 ( -6.083 0.000 -3.840) 7.194 12.923 ( 19.903 0.000 -1.724) 19.977 13.496 ( 1.922 0.000 -6.965) 7.226 15.025 ( 10.016 0.000 -20.001) 22.368 15.243 ( 4.320 0.000 -14.989) 15.599 16.492 ( 13.237 0.000 0.773) 13.260 17.188 ( -10.576 0.000 -10.059) 14.596 17.864 ( 8.149 0.000 14.842) 16.932 18.396 ( -9.054 0.000 7.513) 11.765 38.067 ( 8.049 -0.000 4.191) 9.074 38.158 ( 5.003 0.000 3.201) 5.940 40.635 ( -1.382 0.000 0.460) 1.456 40.727 ( -4.434 -0.000 -0.499) 4.462 59.931 ( -8.852 0.000 2.279) 9.141 60.188 ( -16.380 0.000 -0.963) 16.408 ======================= Grid point 560 (189/378) ======================= q-point: ( 0.47 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.389 ( 5.651 0.000 7.643) 9.506 4.499 ( -3.789 0.000 5.715) 6.857 5.015 ( -0.449 0.000 19.293) 19.299 5.122 ( -9.585 -0.000 17.807) 20.223 7.672 ( 3.168 -0.000 1.253) 3.407 7.678 ( 2.592 0.000 1.625) 3.059 9.342 ( 10.079 0.000 6.243) 11.856 9.539 ( -9.556 0.000 4.281) 10.471 11.851 ( 10.873 -0.000 -2.369) 11.128 12.053 ( -9.307 0.000 -3.286) 9.870 13.262 ( 13.859 0.000 -4.885) 14.694 13.459 ( -5.922 0.000 -6.838) 9.046 15.186 ( 6.249 0.000 -19.182) 20.174 15.267 ( -1.679 0.000 -17.493) 17.574 16.746 ( 12.262 -0.000 -2.770) 12.571 16.976 ( -11.012 0.000 -6.468) 12.771 18.036 ( 9.021 0.000 13.365) 16.125 18.216 ( -9.105 0.000 10.806) 14.130 38.185 ( 3.782 -0.000 4.086) 5.568 38.215 ( 0.725 0.000 3.758) 3.828 40.627 ( 0.546 0.000 0.852) 1.012 40.657 ( -2.550 0.000 0.537) 2.606 59.848 ( 0.340 0.000 2.346) 2.371 59.939 ( -8.696 0.000 1.220) 8.781 ======================= Grid point 663 (190/378) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 0.000 0.000 32.509) 32.509 2.890 ( 0.000 0.000 40.277) 40.277 4.073 ( 0.000 0.000 42.943) 42.943 4.124 ( 0.000 0.000 -12.930) 12.930 5.339 ( 0.000 0.000 2.258) 2.258 6.535 ( 0.000 0.000 1.098) 1.098 9.443 ( 0.000 0.000 17.459) 17.459 9.742 ( 0.000 0.000 3.602) 3.602 10.082 ( 0.000 0.000 -3.631) 3.631 11.224 ( 0.000 0.000 -17.960) 17.960 12.641 ( 0.000 0.000 11.917) 11.917 12.820 ( 0.000 0.000 3.555) 3.555 13.652 ( 0.000 0.000 -9.595) 9.595 13.912 ( 0.000 0.000 -16.904) 16.904 15.937 ( 0.000 0.000 9.885) 9.885 16.973 ( 0.000 0.000 -13.238) 13.238 18.855 ( 0.000 0.000 10.560) 10.560 19.611 ( 0.000 0.000 -4.876) 4.876 36.436 ( 0.000 0.000 5.246) 5.246 36.950 ( 0.000 0.000 -5.650) 5.650 40.387 ( 0.000 0.000 13.435) 13.435 41.781 ( 0.000 0.000 -15.468) 15.468 61.220 ( 0.000 0.000 9.585) 9.585 62.501 ( 0.000 0.000 -18.018) 18.018 ======================= Grid point 664 (191/378) ======================= q-point: ( 0.06 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 25.955 0.000 30.025) 39.689 2.921 ( 3.765 0.000 37.774) 37.961 4.154 ( 8.748 0.000 36.489) 37.523 4.354 ( 21.458 0.000 -12.530) 24.849 5.361 ( 3.250 0.000 6.049) 6.867 6.561 ( 3.025 0.000 2.062) 3.661 9.376 ( -5.031 0.000 15.864) 16.643 9.776 ( 2.306 0.000 4.483) 5.041 10.276 ( 17.450 0.000 -2.769) 17.668 11.188 ( -4.331 0.000 -15.965) 16.542 12.225 ( -15.631 0.000 14.405) 21.256 13.316 ( 25.462 0.000 -1.023) 25.483 13.483 ( -11.365 0.000 -15.600) 19.301 14.101 ( 13.415 0.000 -11.111) 17.419 16.016 ( 7.578 0.000 8.407) 11.318 16.950 ( -2.267 0.000 -12.395) 12.601 18.743 ( -10.733 0.000 12.703) 16.630 19.562 ( -4.902 0.000 -5.203) 7.148 36.482 ( 4.562 0.000 5.170) 6.895 37.031 ( 7.627 0.000 -7.289) 10.550 40.393 ( 0.614 0.000 13.206) 13.221 41.737 ( -4.158 0.000 -14.395) 14.983 61.103 ( -11.636 0.000 8.697) 14.527 62.088 ( -38.282 0.000 -7.010) 38.919 ======================= Grid point 665 (192/378) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 10.994 0.000 32.150) 33.978 3.084 ( 24.509 0.000 29.850) 38.623 4.432 ( 18.128 0.000 15.461) 23.826 4.866 ( 26.985 0.000 -12.986) 29.947 5.541 ( 17.492 0.000 17.140) 24.490 6.688 ( 11.129 0.000 4.955) 12.182 9.290 ( -3.177 0.000 14.680) 15.020 9.773 ( -3.492 0.000 7.765) 8.514 10.692 ( 22.801 0.000 -4.607) 23.262 11.058 ( -7.183 0.000 -11.229) 13.329 12.183 ( 10.615 0.000 9.502) 14.247 13.280 ( -8.244 0.000 -18.626) 20.369 13.722 ( 15.582 0.000 -3.935) 16.071 14.369 ( 13.160 0.000 -7.997) 15.399 16.209 ( 11.111 0.000 5.789) 12.528 16.888 ( -3.904 0.000 -9.855) 10.600 18.466 ( -16.296 0.000 16.273) 23.030 19.421 ( -9.204 0.000 -6.062) 11.021 36.612 ( 8.406 0.000 4.894) 9.727 37.223 ( 11.054 0.000 -9.893) 14.834 40.412 ( 1.227 0.000 12.561) 12.620 41.627 ( -6.626 0.000 -12.101) 13.796 60.774 ( -21.076 0.000 6.420) 22.032 61.170 ( -50.096 0.000 9.418) 50.973 ======================= Grid point 666 (193/378) ======================= q-point: ( 0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( 17.771 0.000 25.301) 30.918 3.488 ( 17.350 0.000 29.253) 34.011 4.764 ( 13.578 0.000 -2.784) 13.861 5.303 ( 15.320 0.000 -13.049) 20.124 6.119 ( 39.937 0.000 25.105) 47.172 7.054 ( 26.184 0.000 7.900) 27.350 9.258 ( 0.067 0.000 13.750) 13.750 9.655 ( -7.211 0.000 9.678) 12.069 10.946 ( -4.125 0.000 -11.793) 12.494 11.112 ( 17.837 0.000 -11.311) 21.121 12.557 ( 24.973 0.000 5.512) 25.574 13.189 ( 0.022 0.000 -15.843) 15.843 13.955 ( 8.756 0.000 -4.271) 9.742 14.608 ( 10.706 0.000 -8.050) 13.395 16.426 ( 10.157 0.000 4.668) 11.179 16.803 ( -4.399 0.000 -5.714) 7.212 18.131 ( -16.806 0.000 17.738) 24.435 19.204 ( -12.464 0.000 -7.120) 14.354 36.807 ( 11.016 0.000 4.309) 11.829 37.445 ( 10.934 0.000 -10.974) 15.491 40.442 ( 1.837 0.000 11.602) 11.746 41.486 ( -7.475 0.000 -9.740) 12.278 60.215 ( -44.817 0.000 16.102) 47.622 60.292 ( -26.901 0.000 3.643) 27.146 ======================= Grid point 667 (194/378) ======================= q-point: ( 0.24 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.744 ( 21.002 0.000 18.632) 28.075 3.811 ( 15.835 0.000 24.465) 29.142 4.976 ( 8.458 0.000 -5.555) 10.119 5.475 ( 3.215 0.000 -10.240) 10.733 7.014 ( 47.623 0.000 22.756) 52.780 7.671 ( 33.604 0.000 8.686) 34.709 9.301 ( 4.672 0.000 12.267) 13.127 9.529 ( -4.830 0.000 6.962) 8.474 10.881 ( -2.760 0.000 -13.260) 13.545 11.341 ( 4.705 0.000 -22.232) 22.724 13.100 ( 28.423 0.000 4.183) 28.729 13.308 ( 11.800 0.000 -7.137) 13.790 14.094 ( 5.819 0.000 -4.333) 7.255 14.786 ( 7.051 0.000 -10.528) 12.671 16.597 ( 6.988 0.000 5.195) 8.708 16.722 ( -3.558 0.000 -0.583) 3.606 17.822 ( -13.866 0.000 16.481) 21.539 18.936 ( -14.463 0.000 -7.916) 16.487 37.039 ( 12.171 0.000 3.331) 12.618 37.646 ( 9.136 0.000 -10.598) 13.992 40.484 ( 2.437 0.000 10.450) 10.730 41.337 ( -7.413 0.000 -7.469) 10.523 59.419 ( -35.535 0.000 15.306) 38.691 59.734 ( -28.720 0.000 1.232) 28.747 ======================= Grid point 668 (195/378) ======================= q-point: ( 0.29 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.122 ( 15.535 0.000 18.920) 24.481 4.159 ( 20.328 0.000 12.888) 24.069 5.112 ( 5.418 0.000 -4.377) 6.965 5.475 ( -2.379 0.000 -6.508) 6.929 7.927 ( 43.014 0.000 18.833) 46.956 8.293 ( 27.360 0.000 9.149) 28.849 9.460 ( 11.709 0.000 9.980) 15.386 9.478 ( -0.049 0.000 1.703) 1.704 10.830 ( -2.474 0.000 -13.562) 13.786 11.318 ( -5.913 0.000 -30.079) 30.654 13.614 ( 17.499 0.000 0.424) 17.504 13.637 ( 24.764 0.000 3.589) 25.023 14.204 ( 5.655 0.000 -4.246) 7.071 14.886 ( 3.129 0.000 -13.511) 13.868 16.669 ( -1.722 0.000 4.014) 4.368 16.699 ( 3.306 0.000 6.001) 6.851 17.599 ( -8.331 0.000 13.401) 15.780 18.640 ( -15.180 0.000 -7.954) 17.138 37.280 ( 11.936 0.000 1.953) 12.095 37.802 ( 6.564 0.000 -9.536) 11.577 40.538 ( 3.007 0.000 9.185) 9.664 41.195 ( -6.887 0.000 -5.092) 8.565 58.806 ( -26.432 0.000 11.875) 28.977 59.178 ( -26.926 0.000 -0.314) 26.928 ======================= Grid point 669 (196/378) ======================= q-point: ( 0.35 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.421 ( 14.491 0.000 14.264) 20.333 4.531 ( 16.928 0.000 8.309) 18.858 5.190 ( 2.433 0.000 -2.819) 3.724 5.399 ( -5.043 0.000 -2.837) 5.786 8.663 ( 29.877 0.000 13.792) 32.907 8.723 ( 16.465 0.000 8.584) 18.568 9.542 ( 7.008 0.000 -2.531) 7.451 9.751 ( 16.369 0.000 7.879) 18.167 10.783 ( -2.173 0.000 -12.830) 13.013 11.151 ( -9.950 0.000 -31.804) 33.324 13.946 ( 15.128 0.000 3.569) 15.543 14.043 ( 15.344 0.000 1.373) 15.406 14.339 ( 8.518 0.000 -2.256) 8.812 14.913 ( -0.238 0.000 -14.312) 14.314 16.655 ( 0.268 0.000 6.277) 6.283 16.734 ( 0.514 0.000 5.580) 5.604 17.500 ( -1.697 0.000 9.992) 10.135 18.342 ( -14.713 0.000 -6.808) 16.212 37.504 ( 10.570 0.000 0.263) 10.573 37.903 ( 3.568 0.000 -8.229) 8.969 40.603 ( 3.519 0.000 7.815) 8.570 41.066 ( -6.154 0.000 -2.563) 6.666 58.368 ( -17.781 0.000 8.187) 19.576 58.686 ( -22.287 0.000 -0.864) 22.304 ======================= Grid point 670 (197/378) ======================= q-point: ( 0.41 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.690 ( 12.554 0.000 10.602) 16.431 4.821 ( 12.207 0.000 4.993) 13.189 5.208 ( -0.616 0.000 -1.309) 1.446 5.282 ( -6.654 0.000 0.571) 6.679 8.979 ( 10.082 0.000 5.558) 11.513 9.069 ( 11.499 0.000 4.452) 12.330 9.765 ( 14.365 0.000 -0.732) 14.384 10.038 ( 10.943 0.000 6.323) 12.638 10.750 ( -0.921 0.000 -12.015) 12.050 10.956 ( -9.082 0.000 -28.372) 29.790 14.192 ( 9.433 0.000 3.214) 9.965 14.248 ( 6.520 0.000 -2.494) 6.981 14.531 ( 9.647 0.000 1.072) 9.706 14.881 ( -2.862 0.000 -11.394) 11.748 16.674 ( 1.428 0.000 5.847) 6.019 16.733 ( -0.387 0.000 4.036) 4.055 17.523 ( 3.763 0.000 6.907) 7.865 18.064 ( -13.211 0.000 -4.278) 13.886 37.693 ( 8.406 0.000 -1.593) 8.555 37.942 ( 0.389 0.000 -6.791) 6.803 40.677 ( 3.958 0.000 6.278) 7.422 40.951 ( -5.419 0.000 -0.011) 5.419 58.101 ( -9.228 0.000 5.005) 10.498 58.308 ( -15.652 0.000 -0.501) 15.660 ======================= Grid point 671 (198/378) ======================= q-point: ( 0.47 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.914 ( 9.765 0.000 7.467) 12.293 5.003 ( 4.655 0.000 3.660) 5.921 5.149 ( -5.275 0.000 2.760) 5.953 5.167 ( -3.326 0.000 0.234) 3.334 9.133 ( 5.345 0.000 1.384) 5.521 9.180 ( 0.972 0.000 -0.590) 1.137 10.027 ( 10.458 0.000 1.126) 10.519 10.143 ( -0.624 0.000 3.279) 3.338 10.755 ( 1.475 0.000 -13.489) 13.569 10.815 ( -4.903 0.000 -20.290) 20.874 14.318 ( 3.416 0.000 0.489) 3.451 14.331 ( 1.957 0.000 -2.380) 3.081 14.693 ( 6.696 0.000 -0.478) 6.713 14.805 ( -4.777 0.000 -5.764) 7.486 16.703 ( 1.315 0.000 4.216) 4.417 16.722 ( -0.685 0.000 3.292) 3.362 17.639 ( 7.737 0.000 3.399) 8.450 17.824 ( -10.839 0.000 -0.614) 10.856 37.834 ( 5.739 0.000 -3.455) 6.699 37.918 ( -2.763 0.000 -5.205) 5.893 40.760 ( 4.360 0.000 4.486) 6.256 40.850 ( -4.818 0.000 2.380) 5.374 58.003 ( -0.641 0.000 2.489) 2.570 58.074 ( -7.798 0.000 0.645) 7.825 ======================= Grid point 680 (199/378) ======================= q-point: ( 0.00 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.000 10.501 30.416) 32.177 2.863 ( 0.000 0.020 38.335) 38.335 4.134 ( 0.000 1.010 -12.214) 12.256 4.322 ( 0.000 20.166 32.093) 37.902 5.387 ( 0.000 7.052 8.260) 10.860 6.696 ( 0.000 15.853 2.534) 16.054 9.356 ( 0.000 -7.073 16.306) 17.774 9.709 ( 0.000 -3.144 4.129) 5.190 10.096 ( 0.000 1.181 -4.141) 4.306 11.038 ( 0.000 -17.880 -18.113) 25.452 12.649 ( 0.000 0.864 11.573) 11.605 12.766 ( 0.000 -4.488 7.194) 8.479 13.635 ( 0.000 -1.747 -9.386) 9.547 14.059 ( 0.000 10.922 -19.982) 22.772 15.929 ( 0.000 -0.314 11.057) 11.061 17.095 ( 0.000 11.516 -14.285) 18.349 18.678 ( 0.000 -14.842 15.712) 21.614 19.684 ( 0.000 4.717 -9.741) 10.823 36.449 ( 0.000 1.313 5.111) 5.277 36.949 ( 0.000 -0.087 -5.495) 5.496 40.465 ( 0.000 7.128 9.270) 11.694 41.738 ( 0.000 -4.187 -14.885) 15.462 60.911 ( 0.000 -16.432 21.368) 26.956 63.218 ( 0.000 53.996 -43.931) 69.610 ======================= Grid point 681 (200/378) ======================= q-point: ( 0.06 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 24.281 9.350 28.384) 38.505 2.920 ( 6.894 1.688 35.483) 36.186 4.305 ( 11.133 7.237 8.551) 15.793 4.410 ( 14.026 9.736 5.875) 18.056 5.429 ( 5.040 8.709 12.101) 15.738 6.710 ( 1.856 14.754 3.409) 15.256 9.275 ( -5.764 -7.659 14.415) 17.311 9.800 ( 6.146 0.956 4.504) 7.679 10.255 ( 15.208 -2.031 -3.655) 15.772 11.012 ( -2.788 -16.409 -15.795) 22.946 12.298 ( -13.447 6.364 13.439) 20.048 13.139 ( 15.224 -10.733 2.823) 18.840 13.614 ( 1.195 5.288 -13.675) 14.710 14.153 ( 7.932 4.421 -14.974) 17.512 15.991 ( 6.040 -1.764 9.827) 11.669 17.073 ( -2.178 11.464 -13.519) 17.859 18.585 ( -8.949 -13.409 16.843) 23.314 19.626 ( -5.736 4.243 -9.269) 11.697 36.496 ( 4.651 1.404 5.044) 7.004 37.024 ( 7.173 -0.572 -6.715) 9.842 40.466 ( 0.108 6.684 9.373) 11.513 41.699 ( -3.857 -3.878 -13.971) 15.004 60.787 ( -12.315 -15.615 20.871) 28.828 62.809 ( -38.114 53.323 -32.793) 73.290 ======================= Grid point 682 (201/378) ======================= q-point: ( 0.12 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 13.641 1.631 29.816) 32.829 3.260 ( 23.935 12.085 27.757) 38.592 4.512 ( 12.741 6.590 10.037) 17.507 4.865 ( 25.870 0.028 -12.542) 28.750 5.649 ( 19.164 11.551 20.983) 30.675 6.803 ( 8.801 11.513 5.874) 15.637 9.179 ( -3.549 -7.794 12.648) 15.275 9.868 ( -0.168 6.014 4.966) 7.801 10.615 ( 16.887 -8.545 -5.832) 19.804 10.956 ( 0.411 -7.892 -9.339) 12.234 12.247 ( 8.458 5.912 9.692) 14.157 13.245 ( -1.294 -3.768 -7.916) 8.862 13.770 ( 11.765 3.777 -10.960) 16.517 14.327 ( 9.234 -4.119 -9.014) 13.545 16.147 ( 8.946 -5.103 7.374) 12.667 17.014 ( -3.583 11.381 -11.298) 16.432 18.349 ( -14.112 -10.142 18.834) 25.627 19.468 ( -9.974 3.311 -8.642) 13.606 36.628 ( 8.551 1.641 4.806) 9.945 37.209 ( 10.822 -1.274 -8.770) 13.988 40.471 ( 0.433 5.531 9.513) 11.013 41.596 ( -6.260 -3.211 -11.941) 13.859 60.437 ( -22.443 -12.650 19.663) 32.409 61.887 ( -50.587 48.969 -14.821) 71.949 ======================= Grid point 683 (202/378) ======================= q-point: ( 0.18 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( 17.786 0.567 24.066) 29.931 3.660 ( 16.529 14.182 27.184) 34.833 4.770 ( 11.611 0.149 -4.170) 12.338 5.310 ( 17.104 1.189 -11.224) 20.492 6.222 ( 37.700 9.969 24.558) 46.084 7.111 ( 22.934 5.737 8.362) 25.076 9.142 ( -0.015 -7.295 10.541) 12.819 9.802 ( -5.556 9.225 6.393) 12.524 10.714 ( -2.633 -16.193 -9.650) 19.033 11.202 ( 18.683 3.949 -9.452) 21.308 12.578 ( 22.906 1.698 5.502) 23.619 13.224 ( 1.001 2.433 -10.411) 10.738 13.977 ( 8.533 2.282 -8.771) 12.448 14.513 ( 9.400 -9.287 -6.772) 14.848 16.319 ( 7.807 -8.408 5.713) 12.818 16.941 ( -3.572 11.220 -7.886) 14.172 18.056 ( -14.819 -6.501 19.615) 25.428 19.240 ( -12.784 2.721 -8.468) 15.574 36.826 ( 11.185 1.960 4.293) 12.140 37.431 ( 11.143 -1.300 -9.746) 14.861 40.485 ( 0.999 4.059 9.414) 10.300 41.460 ( -7.185 -2.569 -9.723) 12.360 59.927 ( -28.213 -6.689 17.968) 34.111 60.919 ( -45.743 39.641 -5.482) 60.777 ======================= Grid point 684 (203/378) ======================= q-point: ( 0.24 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 20.363 -0.407 18.284) 27.369 3.956 ( 14.151 11.704 23.012) 29.441 4.956 ( 7.459 -1.917 -5.853) 9.674 5.518 ( 4.740 4.539 -8.820) 10.994 7.062 ( 44.806 4.555 21.691) 49.988 7.673 ( 31.553 0.007 8.748) 32.743 9.184 ( 4.442 -6.466 7.610) 10.929 9.688 ( -5.147 9.195 6.038) 12.145 10.650 ( -3.180 -15.953 -10.854) 19.555 11.494 ( 9.070 10.002 -18.761) 23.115 13.080 ( 26.041 -2.630 3.862) 26.457 13.331 ( 10.530 2.176 -5.209) 11.948 14.112 ( 5.514 1.728 -6.468) 8.674 14.694 ( 8.702 -8.643 -8.860) 15.130 16.438 ( 3.956 -10.256 5.511) 12.296 16.884 ( -2.006 10.002 -3.995) 10.955 17.785 ( -11.972 -2.805 18.552) 22.257 18.969 ( -14.403 2.741 -8.370) 16.883 37.062 ( 12.334 2.301 3.415) 13.003 37.639 ( 9.626 -0.621 -9.518) 13.551 40.511 ( 1.697 2.604 8.972) 9.495 41.317 ( -7.212 -2.089 -7.493) 10.607 59.359 ( -28.088 0.590 15.302) 31.991 60.093 ( -37.818 28.985 -2.977) 47.741 ======================= Grid point 685 (204/378) ======================= q-point: ( 0.29 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.109 ( 19.047 -0.593 14.330) 23.843 4.236 ( 14.406 7.053 16.863) 23.273 5.073 ( 4.403 -3.414 -4.126) 6.933 5.540 ( -1.672 6.223 -5.607) 8.541 7.922 ( 40.521 -0.664 17.670) 44.211 8.271 ( 27.066 -2.598 8.572) 28.509 9.322 ( 9.262 -5.899 3.593) 11.554 9.626 ( -0.270 5.692 4.511) 7.268 10.594 ( -2.389 -15.089 -11.670) 19.224 11.550 ( -2.703 16.339 -26.458) 31.214 13.527 ( 18.144 -7.297 3.485) 19.864 13.657 ( 21.319 0.243 0.150) 21.321 14.213 ( 5.057 0.869 -4.060) 6.543 14.848 ( 6.581 -3.483 -12.299) 14.378 16.479 ( 0.655 -10.035 6.625) 12.043 16.859 ( -0.721 6.551 -1.117) 6.685 17.599 ( -6.511 1.034 15.931) 17.241 18.677 ( -14.889 3.242 -7.740) 17.091 37.305 ( 12.048 2.589 2.158) 12.511 37.806 ( 7.161 0.436 -8.631) 11.223 40.552 ( 2.415 1.351 8.224) 8.677 41.178 ( -6.748 -1.756 -5.123) 8.652 58.845 ( -23.327 5.940 11.766) 26.793 59.413 ( -30.903 21.443 -2.431) 37.693 ======================= Grid point 686 (205/378) ======================= q-point: ( 0.35 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.440 ( 14.198 1.168 13.357) 19.528 4.533 ( 15.319 0.957 9.414) 18.006 5.131 ( 1.406 -4.741 -2.090) 5.369 5.474 ( -4.646 6.474 -2.575) 8.374 8.614 ( 27.872 -5.149 12.978) 31.173 8.705 ( 16.795 -2.395 7.803) 18.674 9.516 ( 9.698 -2.719 -2.113) 10.291 9.721 ( 10.161 -3.519 5.523) 12.088 10.559 ( -1.124 -12.924 -11.849) 17.569 11.426 ( -8.874 19.221 -28.423) 35.441 13.848 ( 14.463 -8.473 3.958) 17.223 14.050 ( 16.414 -1.736 0.211) 16.507 14.326 ( 6.765 -0.134 -2.073) 7.077 14.944 ( 2.860 2.590 -13.309) 13.857 16.486 ( 0.553 -9.615 7.560) 12.244 16.845 ( -0.802 3.476 -0.090) 3.569 17.531 ( -0.517 4.053 12.471) 13.124 18.386 ( -14.272 4.045 -6.115) 16.045 37.531 ( 10.565 2.719 0.596) 10.926 37.919 ( 4.183 1.613 -7.459) 8.703 40.607 ( 3.072 0.355 7.210) 7.845 41.051 ( -6.043 -1.510 -2.605) 6.751 58.449 ( -16.375 8.976 8.191) 20.391 58.869 ( -24.002 17.427 -1.905) 29.722 ======================= Grid point 687 (206/378) ======================= q-point: ( 0.41 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.686 ( 10.893 -0.527 10.800) 15.349 4.815 ( 12.660 -0.415 5.456) 13.792 5.129 ( -1.560 -5.437 -0.062) 5.657 5.365 ( -6.230 5.845 0.082) 8.543 8.918 ( 7.102 -6.078 5.899) 11.054 9.037 ( 13.780 -3.800 5.736) 15.402 9.738 ( 12.572 -2.646 -2.150) 13.026 9.944 ( 9.848 -9.647 5.154) 14.718 10.553 ( 0.503 -10.029 -11.826) 15.514 11.234 ( -9.625 18.913 -26.093) 33.633 14.095 ( 10.431 -7.678 2.767) 13.244 14.271 ( 6.123 -0.924 -0.779) 6.242 14.493 ( 9.474 -1.743 -1.835) 9.806 14.956 ( -1.587 6.168 -10.138) 11.973 16.508 ( 1.569 -9.382 6.751) 11.664 16.830 ( -0.564 2.523 -0.341) 2.608 17.567 ( 3.813 5.038 8.907) 10.920 18.119 ( -12.500 5.134 -3.335) 13.919 37.718 ( 8.135 2.520 -1.128) 8.590 37.971 ( 1.067 2.822 -6.130) 6.833 40.673 ( 3.622 -0.401 5.913) 6.946 40.939 ( -5.288 -1.277 -0.085) 5.440 58.201 ( -8.604 10.617 5.070) 14.576 58.468 ( -16.315 15.551 -0.937) 22.558 ======================= Grid point 688 (207/378) ======================= q-point: ( 0.47 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.866 ( 6.473 -3.587 8.444) 11.228 5.017 ( 5.747 0.213 3.065) 6.517 5.086 ( -0.513 -4.265 1.561) 4.571 5.235 ( -6.495 4.695 2.494) 8.393 8.999 ( 1.696 -8.937 1.984) 9.311 9.212 ( 4.290 -2.026 3.480) 5.884 9.959 ( 8.142 -5.500 -1.559) 9.949 10.057 ( 1.212 -9.684 3.586) 10.397 10.570 ( 0.786 -8.207 -12.010) 14.568 11.084 ( -4.480 17.291 -22.149) 28.454 14.258 ( 5.872 -5.234 1.123) 7.946 14.322 ( -0.504 -2.461 0.013) 2.512 14.656 ( 5.851 -1.024 -6.185) 8.576 14.898 ( -3.257 6.955 -3.878) 8.603 16.536 ( 0.932 -8.974 5.491) 10.562 16.824 ( -0.148 2.490 -0.899) 2.651 17.666 ( 5.304 3.804 5.399) 8.471 17.905 ( -8.223 7.080 0.139) 10.852 37.845 ( 4.219 1.521 -2.788) 5.280 37.966 ( -1.101 4.369 -4.725) 6.529 40.749 ( 3.893 -1.071 4.291) 5.892 40.842 ( -4.419 -0.874 2.233) 5.028 58.106 ( -1.392 11.153 2.567) 11.529 58.232 ( -7.034 15.042 0.495) 16.612 ======================= Grid point 697 (208/378) ======================= q-point: ( 0.00 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 0.000 17.197 25.488) 30.747 2.966 ( 0.000 10.946 30.548) 32.450 4.159 ( 0.000 1.391 -10.213) 10.307 4.621 ( 0.000 7.900 5.477) 9.613 5.718 ( 0.000 27.661 27.038) 38.681 7.105 ( 0.000 25.102 5.828) 25.770 9.248 ( 0.000 -2.792 11.683) 12.012 9.633 ( 0.000 -4.305 5.194) 6.746 10.117 ( 0.000 0.813 -5.158) 5.221 10.615 ( 0.000 -23.472 -16.859) 28.899 12.651 ( 0.000 -8.040 11.887) 14.351 12.673 ( 0.000 1.602 10.611) 10.731 13.586 ( 0.000 -3.132 -8.790) 9.332 14.189 ( 0.000 0.789 -20.082) 20.098 15.943 ( 0.000 1.914 13.750) 13.882 17.357 ( 0.000 13.875 -14.489) 20.061 18.396 ( 0.000 -12.441 18.370) 22.186 19.721 ( 0.000 -1.454 -14.943) 15.013 36.485 ( 0.000 2.379 4.721) 5.286 36.946 ( 0.000 -0.256 -5.049) 5.055 40.618 ( 0.000 7.772 2.207) 8.079 41.629 ( 0.000 -6.789 -13.855) 15.429 60.796 ( 0.000 4.683 24.917) 25.353 64.145 ( 0.000 36.376 -68.330) 77.410 ======================= Grid point 698 (209/378) ======================= q-point: ( 0.06 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 20.422 16.191 23.935) 35.385 3.036 ( 10.457 10.513 28.497) 32.124 4.361 ( 18.730 1.553 -8.761) 20.736 4.615 ( 0.287 6.151 2.507) 6.648 5.773 ( 6.031 26.791 27.529) 38.885 7.095 ( -0.670 23.719 6.438) 24.586 9.164 ( -5.680 -2.853 9.824) 11.701 9.786 ( 10.650 -2.214 4.737) 11.865 10.187 ( 7.143 -6.085 -6.599) 11.472 10.659 ( 5.048 -16.699 -13.073) 21.800 12.410 ( -8.873 3.599 12.567) 15.799 12.949 ( 12.700 -8.779 8.483) 17.616 13.640 ( 5.665 -1.695 -10.505) 12.055 14.199 ( 0.845 -1.410 -18.151) 18.225 15.974 ( 3.015 0.219 12.952) 13.300 17.332 ( -2.527 13.672 -14.097) 19.800 18.328 ( -6.599 -11.413 18.920) 23.060 19.660 ( -5.964 -1.303 -14.049) 15.318 36.534 ( 4.879 2.520 4.689) 7.221 37.012 ( 6.348 -0.706 -5.605) 8.498 40.611 ( -0.680 7.446 2.665) 7.938 41.596 ( -3.195 -6.401 -13.216) 15.028 60.690 ( -10.508 5.412 24.042) 26.791 63.742 ( -38.205 38.083 -57.830) 79.084 ======================= Grid point 699 (210/378) ======================= q-point: ( 0.12 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 10.903 9.979 24.266) 28.413 3.533 ( 28.730 15.789 22.877) 39.976 4.611 ( 4.694 2.476 -0.989) 5.398 4.874 ( 26.152 1.024 -10.116) 28.059 5.991 ( 17.033 22.917 27.463) 39.617 7.109 ( 3.126 19.101 8.080) 20.974 9.077 ( -2.777 -2.056 7.444) 8.207 9.900 ( -0.066 -4.272 -2.621) 5.013 10.385 ( 10.199 -12.061 -3.369) 16.150 10.851 ( 15.388 -2.620 -6.225) 16.805 12.361 ( 4.758 4.273 10.245) 12.077 13.140 ( 6.720 -6.496 4.431) 10.344 13.813 ( 11.240 -0.190 -13.773) 17.779 14.220 ( 1.467 -6.805 -12.403) 14.223 16.055 ( 4.888 -3.824 10.952) 12.589 17.262 ( -4.307 12.969 -13.105) 18.934 18.152 ( -10.507 -8.671 20.138) 24.313 19.497 ( -10.133 -0.912 -12.218) 15.899 36.673 ( 8.941 2.911 4.563) 10.452 37.182 ( 10.337 -1.418 -6.630) 12.362 40.595 ( -0.920 6.514 3.747) 7.571 41.509 ( -5.401 -5.508 -11.656) 13.978 60.395 ( -18.774 7.489 21.684) 29.644 62.780 ( -54.929 39.413 -37.358) 77.241 ======================= Grid point 700 (211/378) ======================= q-point: ( 0.18 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 15.563 6.612 19.851) 26.077 3.985 ( 16.299 18.628 23.060) 33.830 4.751 ( 8.855 -2.245 -6.471) 11.195 5.363 ( 20.813 4.183 -8.059) 22.707 6.471 ( 31.016 14.804 23.971) 41.902 7.266 ( 13.814 9.819 9.861) 19.608 9.059 ( 1.014 -0.967 4.643) 4.850 9.830 ( -5.720 -8.291 -6.452) 11.962 10.500 ( 1.687 -3.162 2.343) 4.282 11.249 ( 22.456 1.554 -7.587) 23.754 12.588 ( 16.921 -1.920 6.255) 18.142 13.247 ( 5.095 -0.067 0.455) 5.115 14.032 ( 8.901 2.569 -17.082) 19.432 14.286 ( 6.670 -13.055 -4.675) 15.388 16.156 ( 5.012 -7.750 8.699) 12.683 17.166 ( -5.348 11.158 -11.786) 17.089 17.938 ( -10.505 -4.566 21.094) 24.003 19.270 ( -12.496 -0.215 -10.496) 16.321 36.880 ( 11.656 3.465 4.245) 12.879 37.403 ( 11.550 -1.463 -7.187) 13.682 40.579 ( -0.594 5.128 4.870) 7.097 41.390 ( -6.457 -4.566 -9.707) 12.521 59.972 ( -23.245 10.523 18.426) 31.474 61.688 ( -53.387 36.900 -21.263) 68.292 ======================= Grid point 701 (212/378) ======================= q-point: ( 0.24 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.740 ( 18.220 3.054 15.533) 24.137 4.229 ( 9.943 15.629 19.810) 27.121 4.913 ( 6.732 -1.906 -4.500) 8.319 5.646 ( 7.666 8.358 -6.234) 12.942 7.166 ( 37.452 5.452 19.240) 42.456 7.659 ( 24.620 -1.724 9.841) 26.570 9.118 ( 5.035 -0.265 1.597) 5.288 9.706 ( -6.222 -8.592 -5.781) 12.082 10.492 ( -1.577 2.068 3.423) 4.299 11.648 ( 15.945 5.770 -14.590) 22.369 12.966 ( 19.596 -9.761 4.313) 22.313 13.383 ( 9.635 2.889 -0.701) 10.083 14.142 ( 3.743 0.196 -10.433) 11.085 14.503 ( 13.671 -9.423 -7.403) 18.179 16.245 ( 3.833 -9.236 7.018) 12.216 17.051 ( -6.167 7.109 -9.804) 13.590 17.760 ( -6.936 0.910 20.551) 21.709 19.010 ( -13.600 0.936 -8.919) 16.291 37.124 ( 12.791 4.069 3.635) 13.906 37.626 ( 10.721 -0.620 -7.038) 12.840 40.574 ( 0.139 3.525 5.626) 6.641 41.259 ( -6.678 -3.798 -7.550) 10.772 59.503 ( -23.465 13.819 14.828) 31.008 60.709 ( -44.935 32.265 -12.175) 56.644 ======================= Grid point 702 (213/378) ======================= q-point: ( 0.29 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.103 ( 17.938 -0.074 12.036) 21.602 4.414 ( 9.093 10.363 15.810) 20.977 5.011 ( 3.249 -1.986 -1.416) 4.062 5.698 ( -1.407 9.729 -3.711) 10.508 7.889 ( 34.067 -3.085 15.022) 37.359 8.166 ( 24.761 -8.901 8.796) 27.744 9.257 ( 8.832 -0.771 -1.251) 8.953 9.603 ( -3.670 -8.241 -3.401) 9.641 10.461 ( -1.253 2.995 1.113) 3.432 11.836 ( 2.870 12.503 -22.402) 25.815 13.323 ( 16.448 -13.876 4.781) 22.044 13.645 ( 15.976 -1.527 -0.576) 16.059 14.227 ( 5.250 0.121 -4.531) 6.936 14.775 ( 12.960 -3.577 -10.988) 17.364 16.305 ( 2.302 -7.611 6.230) 10.102 16.930 ( -5.705 1.579 -7.017) 9.180 17.671 ( -2.159 6.183 17.862) 19.025 18.738 ( -13.712 2.519 -7.053) 15.624 37.376 ( 12.378 4.593 2.697) 13.475 37.819 ( 8.583 0.831 -6.383) 10.729 40.585 ( 1.054 1.936 5.887) 6.286 41.129 ( -6.362 -3.224 -5.190) 8.821 59.066 ( -20.076 16.695 11.292) 28.448 59.913 ( -35.509 28.154 -7.334) 45.905 ======================= Grid point 703 (214/378) ======================= q-point: ( 0.35 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.429 ( 14.456 -2.087 9.901) 17.646 4.600 ( 10.057 5.236 11.892) 16.431 5.045 ( 0.302 -3.170 0.751) 3.272 5.622 ( -5.757 8.446 -1.256) 10.299 8.465 ( 22.790 -10.016 11.196) 27.296 8.592 ( 17.840 -10.459 8.018) 22.179 9.454 ( 10.321 -3.337 -3.851) 11.510 9.586 ( 2.775 -9.551 0.166) 9.947 10.451 ( 0.417 2.813 -2.705) 3.924 11.785 ( -7.016 17.082 -25.893) 31.803 13.633 ( 14.883 -13.657 4.907) 20.787 13.957 ( 14.273 -7.254 -0.849) 16.033 14.352 ( 7.280 2.257 -2.931) 8.166 14.988 ( 7.897 1.379 -12.042) 14.466 16.339 ( 1.305 -5.113 6.185) 8.130 16.843 ( -2.828 -2.297 -5.131) 6.293 17.666 ( 1.374 9.035 14.392) 17.049 18.473 ( -12.857 4.394 -4.552) 14.330 37.606 ( 10.618 4.884 1.479) 11.781 37.961 ( 5.676 2.537 -5.443) 8.264 40.615 ( 1.969 0.518 5.651) 6.007 41.009 ( -5.724 -2.773 -2.704) 6.911 58.723 ( -14.300 18.882 8.057) 25.019 59.300 ( -26.434 25.562 -4.324) 37.025 ======================= Grid point 704 (215/378) ======================= q-point: ( 0.41 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.659 ( 8.923 -2.635 9.545) 13.329 4.819 ( 11.550 0.799 7.351) 13.714 5.026 ( -2.094 -4.440 2.227) 5.391 5.486 ( -7.654 6.454 1.178) 10.081 8.751 ( 7.097 -10.939 7.130) 14.862 8.894 ( 12.319 -11.868 8.341) 19.031 9.629 ( 7.443 -12.572 -0.688) 14.627 9.721 ( 9.040 -7.762 -0.945) 11.953 10.477 ( 1.976 3.031 -7.366) 8.207 11.604 ( -9.950 18.773 -25.384) 33.103 13.906 ( 12.346 -11.996 4.247) 17.730 14.171 ( 6.615 -8.916 0.001) 11.102 14.516 ( 9.228 3.536 -5.717) 11.417 15.070 ( 0.387 4.717 -10.290) 11.327 16.366 ( 1.507 -4.641 6.065) 7.784 16.816 ( -0.211 -2.803 -4.953) 5.695 17.717 ( 3.565 9.592 11.141) 15.128 18.236 ( -10.841 6.394 -1.405) 12.664 37.789 ( 7.684 4.767 0.110) 9.043 38.042 ( 2.565 4.244 -4.350) 6.597 40.662 ( 2.748 -0.665 4.926) 5.680 40.903 ( -4.918 -2.337 -0.278) 5.452 58.507 ( -7.360 20.432 5.197) 22.330 58.865 ( -17.455 24.206 -1.951) 29.907 ======================= Grid point 705 (216/378) ======================= q-point: ( 0.47 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.797 ( 4.751 -3.513 9.395) 11.099 4.971 ( -2.696 -5.817 2.219) 6.785 5.023 ( 7.618 -0.670 4.161) 8.706 5.337 ( -6.250 5.551 4.052) 9.289 8.821 ( 1.238 -9.242 5.292) 10.721 9.056 ( 4.067 -13.994 8.805) 17.026 9.743 ( 3.320 -19.140 3.027) 19.660 9.864 ( 4.191 -6.893 -3.358) 8.738 10.516 ( 1.454 3.917 -11.776) 12.495 11.442 ( -5.047 19.160 -23.463) 30.710 14.108 ( 7.664 -10.631 4.825) 13.966 14.217 ( -1.433 -8.344 -0.069) 8.467 14.689 ( 6.570 4.018 -11.087) 13.499 15.027 ( -3.225 5.659 -5.685) 8.645 16.393 ( 0.921 -5.133 5.597) 7.650 16.819 ( 0.233 -1.954 -5.441) 5.786 17.794 ( 3.482 8.773 8.385) 12.625 18.060 ( -6.025 8.331 1.667) 10.416 37.900 ( 3.157 4.169 -1.092) 5.342 38.068 ( 0.330 5.717 -3.326) 6.622 40.721 ( 2.870 -1.708 3.733) 5.009 40.817 ( -3.570 -1.699 1.843) 4.363 58.428 ( -1.161 21.335 2.804) 21.550 58.616 ( -7.171 23.579 0.142) 24.646 ======================= Grid point 714 (217/378) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 0.000 19.267 19.846) 27.660 3.264 ( 0.000 18.738 20.481) 27.759 4.181 ( 0.000 0.692 -7.292) 7.325 4.668 ( 0.000 -1.160 -6.784) 6.883 6.358 ( 0.000 35.454 33.484) 48.767 7.612 ( 0.000 25.593 8.922) 27.103 9.253 ( 0.000 2.501 6.619) 7.076 9.552 ( 0.000 -3.938 6.126) 7.282 10.123 ( 0.000 -0.251 -6.020) 6.026 10.214 ( 0.000 -15.914 -14.099) 21.261 12.441 ( 0.000 -13.403 15.558) 20.535 12.709 ( 0.000 2.072 9.227) 9.457 13.518 ( 0.000 -3.835 -7.907) 8.788 14.083 ( 0.000 -10.909 -15.964) 19.335 15.990 ( 0.000 2.330 18.289) 18.437 17.585 ( 0.000 9.150 -9.614) 13.272 18.233 ( 0.000 -4.295 10.858) 11.676 19.637 ( 0.000 -6.535 -17.809) 18.970 36.538 ( 0.000 2.978 4.122) 5.085 36.939 ( 0.000 -0.528 -4.370) 4.402 40.748 ( 0.000 5.557 -2.834) 6.238 41.487 ( 0.000 -7.646 -13.241) 15.290 61.058 ( 0.000 21.207 18.934) 28.429 64.545 ( 0.000 4.982 -71.372) 71.546 ======================= Grid point 715 (218/378) ======================= q-point: ( 0.06 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 17.941 18.512 18.624) 31.803 3.310 ( 9.704 17.018 19.615) 27.722 4.383 ( 19.152 0.662 -6.938) 20.381 4.650 ( -1.326 -1.201 -6.884) 7.112 6.380 ( 2.552 33.382 32.517) 46.671 7.575 ( -3.429 24.300 9.299) 26.244 9.163 ( -5.421 1.948 5.205) 7.763 9.728 ( 10.570 -3.675 4.429) 12.036 10.011 ( -1.163 -9.295 -8.858) 12.892 10.452 ( 16.514 -5.322 -8.596) 19.363 12.378 ( -3.816 -7.844 14.607) 17.013 12.829 ( 9.570 -2.746 9.474) 13.743 13.581 ( 6.350 -3.817 -8.346) 11.160 14.076 ( -0.703 -10.805 -15.992) 19.313 15.992 ( 0.291 1.215 17.680) 17.724 17.560 ( -2.549 9.410 -10.070) 14.016 18.178 ( -5.265 -3.925 11.735) 13.447 19.581 ( -5.481 -6.242 -16.824) 18.763 36.590 ( 5.165 3.127 4.150) 7.327 36.998 ( 5.776 -0.759 -4.511) 7.368 40.737 ( -1.106 5.433 -2.321) 6.011 41.461 ( -2.534 -7.326 -12.770) 14.939 60.959 ( -9.709 21.308 18.296) 29.716 64.197 ( -33.483 8.633 -63.755) 72.528 ======================= Grid point 716 (219/378) ======================= q-point: ( 0.12 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 7.215 14.825 17.484) 24.031 3.855 ( 31.326 16.879 17.526) 39.666 4.611 ( 0.370 -1.931 -7.054) 7.323 4.897 ( 28.364 0.950 -6.786) 29.180 6.485 ( 8.900 26.695 29.445) 40.729 7.498 ( -3.582 19.774 10.386) 22.621 9.088 ( -2.044 2.140 2.918) 4.156 9.736 ( -5.515 -8.804 -8.551) 13.455 10.232 ( 17.262 -4.338 3.390) 18.119 10.826 ( 20.975 -0.734 -6.360) 21.930 12.351 ( 1.795 -6.364 12.804) 14.410 13.036 ( 10.822 -3.158 8.516) 14.128 13.763 ( 11.734 -4.369 -9.597) 15.776 14.058 ( -0.973 -10.113 -15.547) 18.572 16.004 ( 1.028 -1.502 15.859) 15.964 17.485 ( -5.006 9.714 -11.532) 15.887 18.041 ( -7.896 -2.746 14.316) 16.579 19.432 ( -9.270 -5.422 -14.485) 18.032 36.737 ( 9.461 3.555 4.194) 10.943 37.157 ( 9.976 -1.128 -4.738) 11.102 40.708 ( -1.776 5.023 -0.998) 5.420 41.390 ( -4.464 -6.546 -11.509) 13.972 60.687 ( -17.292 21.629 16.586) 32.279 63.324 ( -51.534 15.821 -46.940) 71.480 ======================= Grid point 717 (220/378) ======================= q-point: ( 0.18 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( 11.303 10.308 14.903) 21.357 4.346 ( 14.236 17.026 15.505) 27.073 4.700 ( 10.981 -1.799 -4.679) 12.071 5.452 ( 25.308 4.354 -5.934) 26.357 6.764 ( 19.594 14.733 23.798) 34.167 7.468 ( 1.677 10.385 11.812) 15.817 9.081 ( 1.240 1.636 0.403) 2.092 9.620 ( -5.618 -7.900 -10.629) 14.385 10.517 ( 9.999 1.935 7.523) 12.662 11.275 ( 23.811 1.086 -6.990) 24.839 12.463 ( 9.408 -11.114 9.777) 17.540 13.245 ( 10.114 0.365 6.174) 11.855 14.007 ( 7.360 -9.784 -15.177) 19.500 14.075 ( 8.420 -3.980 -9.497) 13.301 16.037 ( 2.375 -4.191 12.997) 13.861 17.358 ( -8.002 8.648 -12.989) 17.536 17.895 ( -6.196 -0.117 17.188) 18.271 19.226 ( -11.187 -4.088 -11.754) 16.733 36.955 ( 12.303 4.186 4.146) 13.641 37.378 ( 11.943 -1.078 -4.729) 12.890 40.671 ( -1.806 4.267 0.638) 4.677 41.290 ( -5.579 -5.637 -9.726) 12.550 60.298 ( -21.350 22.189 14.270) 33.939 62.264 ( -53.415 21.180 -30.643) 65.121 ======================= Grid point 718 (221/378) ======================= q-point: ( 0.24 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.822 ( 14.014 5.354 12.342) 19.426 4.487 ( 4.033 7.851 7.477) 11.567 4.945 ( 9.975 7.883 5.783) 13.967 5.826 ( 11.373 9.750 -4.376) 15.607 7.240 ( 27.197 1.284 17.297) 32.257 7.604 ( 12.469 -3.493 12.011) 17.662 9.133 ( 3.822 -0.775 -1.649) 4.234 9.526 ( -3.670 -3.966 -10.289) 11.621 10.628 ( 2.017 8.619 9.751) 13.169 11.726 ( 20.267 2.471 -11.223) 23.298 12.703 ( 14.131 -16.704 7.620) 23.169 13.428 ( 8.292 1.280 2.044) 8.635 14.075 ( 4.509 -6.990 -11.238) 13.982 14.379 ( 17.175 -3.539 -10.095) 20.235 16.101 ( 4.076 -5.123 9.574) 11.598 17.172 ( -10.331 6.013 -11.871) 16.847 17.812 ( -2.107 3.655 17.343) 17.849 18.997 ( -11.802 -2.185 -8.973) 14.986 37.213 ( 13.434 4.894 3.894) 14.818 37.616 ( 11.842 -0.358 -4.357) 12.624 40.640 ( -1.266 3.192 2.121) 4.036 41.174 ( -5.973 -4.816 -7.594) 10.795 59.867 ( -21.539 22.942 11.798) 33.607 61.265 ( -46.560 23.581 -18.955) 55.526 ======================= Grid point 719 (222/378) ======================= q-point: ( 0.29 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.109 ( 14.475 0.799 10.147) 17.695 4.566 ( 4.367 3.209 6.145) 8.193 5.065 ( 2.575 9.440 9.030) 13.315 5.907 ( -2.068 11.608 -1.475) 11.882 7.781 ( 26.033 -9.203 12.605) 30.353 7.930 ( 18.790 -14.040 10.403) 25.660 9.219 ( 4.376 -6.503 -2.400) 8.198 9.487 ( 0.138 2.203 -8.651) 8.929 10.633 ( -0.716 12.134 8.224) 14.676 12.023 ( 8.755 6.622 -17.275) 20.468 13.004 ( 16.083 -18.303 6.890) 25.321 13.590 ( 8.740 -4.365 -1.006) 9.821 14.208 ( 8.536 -2.017 -6.827) 11.114 14.713 ( 15.969 -2.932 -10.973) 19.596 16.195 ( 5.128 -3.632 6.349) 8.933 16.970 ( -9.499 3.535 -9.212) 13.696 17.804 ( 0.951 6.555 15.579) 16.928 18.765 ( -11.537 0.223 -6.022) 13.016 37.476 ( 12.870 5.532 3.377) 14.410 37.836 ( 10.140 0.921 -3.691) 10.830 40.623 ( -0.366 1.919 3.177) 3.730 41.057 ( -5.807 -4.136 -5.230) 8.842 59.467 ( -18.408 23.775 9.422) 31.510 60.436 ( -36.954 24.413 -11.376) 45.728 ======================= Grid point 720 (223/378) ======================= q-point: ( 0.35 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.380 ( 12.447 -2.688 8.494) 15.306 4.666 ( 5.854 -0.132 5.863) 8.287 5.069 ( -1.614 7.198 9.919) 12.361 5.794 ( -8.291 9.189 1.316) 12.446 8.227 ( 18.226 -15.404 9.654) 25.742 8.292 ( 16.791 -18.698 9.395) 26.830 9.287 ( 2.436 -11.783 -1.389) 12.112 9.544 ( 5.382 4.902 -6.133) 9.519 10.624 ( 0.329 13.415 2.822) 13.713 12.069 ( -3.310 11.813 -21.334) 24.610 13.329 ( 16.325 -17.171 6.007) 24.442 13.780 ( 9.937 -10.827 -0.958) 14.727 14.393 ( 9.771 1.568 -6.500) 11.840 14.984 ( 10.636 -1.861 -11.827) 16.015 16.288 ( 3.891 -0.513 4.449) 5.933 16.821 ( -5.021 1.310 -7.076) 8.775 17.841 ( 2.629 8.211 13.563) 16.071 18.545 ( -10.544 2.885 -2.784) 11.280 37.713 ( 10.805 5.948 2.609) 12.607 38.011 ( 7.356 2.485 -2.847) 8.270 40.626 ( 0.670 0.600 3.684) 3.792 40.947 ( -5.237 -3.554 -2.795) 6.919 59.153 ( -12.981 24.572 7.189) 28.705 59.802 ( -27.204 24.861 -6.344) 37.395 ======================= Grid point 721 (224/378) ======================= q-point: ( 0.41 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.587 ( 8.460 -4.359 7.864) 12.346 4.796 ( 6.445 -4.226 3.838) 8.610 5.023 ( -2.186 5.209 10.881) 12.260 5.609 ( -9.749 6.155 3.766) 12.129 8.498 ( 9.508 -15.675 8.553) 20.230 8.564 ( 10.135 -21.264 9.084) 25.247 9.331 ( 2.272 -13.674 0.606) 13.875 9.665 ( 5.898 0.223 -3.196) 6.712 10.654 ( 2.633 14.218 -4.955) 15.285 11.942 ( -8.092 15.573 -22.348) 28.415 13.630 ( 13.434 -16.334 5.630) 21.886 13.950 ( 6.283 -13.400 -0.156) 14.800 14.591 ( 10.146 3.353 -9.792) 14.494 15.113 ( 2.187 -0.606 -12.049) 12.261 16.340 ( 1.541 1.816 4.617) 5.195 16.776 ( 0.042 -0.144 -6.569) 6.570 17.903 ( 3.594 8.979 11.566) 15.076 18.352 ( -8.731 5.357 0.587) 10.260 37.896 ( 7.445 6.021 1.696) 9.725 38.125 ( 4.099 4.026 -1.940) 6.064 40.649 ( 1.629 -0.636 3.588) 3.991 40.851 ( -4.373 -2.975 -0.512) 5.313 58.960 ( -6.402 25.254 5.019) 26.531 59.356 ( -17.811 25.244 -2.699) 31.012 ======================= Grid point 722 (225/378) ======================= q-point: ( 0.47 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.723 ( 5.185 -4.277 8.253) 10.644 4.843 ( -2.051 -6.829 3.189) 7.811 5.043 ( 3.639 2.933 8.818) 9.980 5.439 ( -6.147 4.722 6.340) 10.014 8.617 ( 2.795 -13.445 8.353) 16.073 8.693 ( 3.102 -22.484 9.335) 24.542 9.370 ( 1.250 -15.749 1.853) 15.906 9.750 ( 2.315 -4.181 -0.894) 4.862 10.710 ( 2.083 14.841 -11.240) 18.733 11.805 ( -4.385 17.691 -21.865) 28.465 13.837 ( 6.532 -17.205 7.204) 19.763 14.013 ( 0.528 -12.319 -1.247) 12.393 14.774 ( 6.936 3.704 -14.682) 16.655 15.090 ( -2.951 0.358 -9.720) 10.165 16.360 ( 0.554 2.090 5.260) 5.687 16.791 ( 0.710 -0.195 -6.962) 7.001 17.974 ( 2.909 9.123 9.765) 13.676 18.212 ( -4.717 7.015 3.348) 9.093 37.999 ( 2.774 5.812 0.931) 6.507 38.176 ( 1.174 5.140 -1.205) 5.409 40.687 ( 1.825 -1.725 2.906) 3.841 40.778 ( -2.731 -2.270 1.342) 3.797 58.895 ( -0.701 25.754 2.924) 25.929 59.102 ( -7.373 25.398 0.047) 26.447 ======================= Grid point 731 (226/378) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( 0.000 17.553 14.586) 22.822 3.647 ( 0.000 19.693 11.983) 23.052 4.178 ( 0.000 -1.189 -3.889) 4.066 4.615 ( 0.000 -3.948 -7.192) 8.204 7.019 ( 0.000 31.620 30.902) 44.213 8.036 ( 0.000 16.779 10.130) 19.600 9.296 ( 0.000 1.126 6.619) 6.714 9.486 ( 0.000 -2.751 6.662) 7.208 10.059 ( 0.000 0.202 -11.921) 11.923 10.109 ( 0.000 -1.025 -6.484) 6.565 12.155 ( 0.000 -15.186 18.233) 23.729 12.751 ( 0.000 2.082 7.737) 8.012 13.444 ( 0.000 -3.602 -6.914) 7.796 13.812 ( 0.000 -15.730 -12.539) 20.116 16.015 ( 0.000 0.057 24.509) 24.509 17.727 ( 0.000 6.421 -3.307) 7.223 18.196 ( 0.000 -0.906 -0.361) 0.975 19.498 ( 0.000 -7.001 -19.732) 20.937 36.596 ( 0.000 2.909 3.409) 4.482 36.926 ( 0.000 -0.789 -3.573) 3.659 40.838 ( 0.000 3.825 -5.885) 7.019 41.342 ( 0.000 -7.082 -13.112) 14.902 61.582 ( 0.000 32.125 7.430) 32.973 64.383 ( 0.000 -20.004 -60.938) 64.137 ======================= Grid point 732 (227/378) ======================= q-point: ( 0.06 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 18.442 16.250 14.235) 28.404 3.664 ( 4.865 18.455 11.083) 22.070 4.381 ( 19.301 -1.026 -3.852) 19.708 4.598 ( -1.360 -3.867 -7.001) 8.112 7.002 ( -1.428 29.743 30.259) 42.453 7.978 ( -5.667 15.967 10.409) 19.885 9.199 ( -5.616 1.289 5.628) 8.055 9.645 ( 8.543 -4.429 4.427) 10.592 9.951 ( 1.102 3.795 -7.999) 8.922 10.386 ( 18.379 -2.527 -7.739) 20.101 12.144 ( -0.793 -14.259 17.854) 22.863 12.825 ( 7.191 1.209 7.770) 10.656 13.506 ( 6.056 -3.690 -6.953) 9.931 13.816 ( 0.428 -14.896 -13.320) 19.988 16.005 ( -0.907 -0.146 23.764) 23.781 17.708 ( -1.971 6.661 -4.062) 8.048 18.146 ( -4.828 -0.672 0.560) 4.907 19.446 ( -5.049 -6.884 -18.693) 20.550 36.651 ( 5.434 3.032 3.502) 7.141 36.982 ( 5.533 -0.865 -3.504) 6.606 40.825 ( -1.250 3.793 -5.424) 6.736 41.321 ( -2.035 -6.866 -12.693) 14.574 61.480 ( -10.105 31.585 7.329) 33.963 64.109 ( -26.572 -16.160 -56.081) 64.127 ======================= Grid point 733 (228/378) ======================= q-point: ( 0.12 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.685 ( 3.473 15.657 11.197) 19.560 4.160 ( 31.196 13.793 11.851) 36.109 4.556 ( -0.842 -3.255 -6.184) 7.039 4.901 ( 30.129 -0.592 -4.143) 30.418 6.981 ( -0.132 23.573 28.243) 36.788 7.827 ( -9.026 13.245 11.310) 19.617 9.112 ( -3.196 0.103 4.215) 5.291 9.677 ( -2.200 2.892 -7.177) 8.044 10.184 ( 17.871 -0.767 3.074) 18.149 10.802 ( 23.067 -2.112 -7.063) 24.216 12.141 ( 0.973 -13.322 16.730) 21.408 13.017 ( 11.630 0.350 7.680) 13.941 13.662 ( 8.408 -6.077 -7.752) 12.950 13.844 ( 3.573 -10.769 -14.781) 18.633 15.987 ( -0.600 -0.553 21.415) 21.431 17.645 ( -4.592 7.293 -7.116) 11.176 18.023 ( -6.941 -0.215 4.228) 8.130 19.310 ( -8.353 -6.439 -16.007) 19.169 36.806 ( 9.965 3.390 3.727) 11.166 37.137 ( 9.858 -0.966 -3.260) 10.428 40.790 ( -2.145 3.652 -4.176) 5.948 41.264 ( -3.697 -6.311 -11.511) 13.638 61.197 ( -17.893 30.168 7.072) 35.781 63.399 ( -43.066 -7.273 -44.418) 62.294 ======================= Grid point 734 (229/378) ======================= q-point: ( 0.18 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.784 ( 6.586 11.637 9.961) 16.673 4.497 ( 0.657 -2.256 -2.866) 3.706 4.807 ( 26.393 13.037 9.933) 31.068 5.516 ( 29.996 2.164 -4.490) 30.408 7.022 ( 4.921 11.501 24.489) 27.499 7.646 ( -8.351 7.619 12.514) 16.864 9.069 ( -1.178 -2.053 3.065) 3.872 9.636 ( -1.454 8.513 -10.959) 13.952 10.528 ( 15.338 -0.962 7.283) 17.007 11.279 ( 24.562 -0.969 -7.368) 25.662 12.200 ( 5.416 -14.244 14.495) 21.032 13.255 ( 11.312 0.242 7.001) 13.305 13.780 ( 4.504 -11.773 -13.599) 18.543 14.020 ( 13.631 -2.847 -11.495) 18.056 15.992 ( 1.391 -0.765 17.437) 17.509 17.512 ( -9.013 7.619 -11.694) 16.614 17.907 ( -3.982 0.600 10.021) 10.800 19.129 ( -9.636 -5.400 -12.519) 16.696 37.036 ( 12.952 3.934 3.958) 14.103 37.360 ( 12.282 -0.841 -2.786) 12.622 40.744 ( -2.469 3.309 -2.479) 4.815 41.179 ( -4.784 -5.609 -9.736) 12.212 60.796 ( -21.911 28.341 6.746) 36.453 62.486 ( -47.194 1.947 -31.421) 56.730 ======================= Grid point 735 (230/378) ======================= q-point: ( 0.24 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.943 ( 9.183 6.937 8.784) 14.478 4.506 ( 1.024 -3.610 -2.197) 4.348 5.220 ( 13.771 17.489 13.314) 25.938 6.005 ( 17.013 8.266 -3.788) 19.291 7.191 ( 12.153 -6.134 19.091) 23.448 7.552 ( 0.685 -1.465 12.421) 12.526 9.062 ( 0.427 -3.948 2.507) 4.696 9.624 ( 0.209 11.064 -12.202) 16.472 10.763 ( 8.321 4.735 9.875) 13.754 11.744 ( 21.346 -0.704 -9.158) 23.238 12.368 ( 11.594 -16.417 11.406) 23.109 13.418 ( 4.685 -2.356 2.528) 5.822 13.918 ( 10.156 -8.165 -13.164) 18.524 14.329 ( 16.755 -1.968 -10.603) 19.926 16.049 ( 4.379 -0.616 12.462) 13.223 17.302 ( -11.522 7.468 -12.643) 18.665 17.871 ( 0.104 1.868 12.685) 12.823 18.937 ( -9.591 -3.576 -8.792) 13.494 37.307 ( 14.100 4.567 4.063) 15.368 37.610 ( 12.699 -0.339 -2.091) 12.874 40.697 ( -2.205 2.699 -0.723) 3.559 41.078 ( -5.263 -4.907 -7.554) 10.433 60.356 ( -21.911 26.571 6.403) 35.030 61.585 ( -42.822 9.018 -20.549) 48.345 ======================= Grid point 736 (231/378) ======================= q-point: ( 0.29 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.138 ( 10.265 2.345 7.806) 13.108 4.542 ( 2.527 -4.209 -0.071) 4.910 5.357 ( 1.028 18.685 15.538) 24.323 6.136 ( -3.025 11.617 0.761) 12.028 7.488 ( 17.108 -19.255 13.319) 28.997 7.698 ( 12.480 -10.620 9.451) 18.917 9.083 ( 1.616 -4.689 2.510) 5.559 9.642 ( 1.507 10.550 -10.944) 15.276 10.873 ( 3.458 11.937 9.043) 15.370 12.085 ( 12.363 -0.224 -11.623) 16.970 12.653 ( 16.671 -16.886 8.069) 25.064 13.476 ( 2.593 -6.969 -1.736) 7.636 14.156 ( 12.865 -3.087 -10.666) 16.994 14.657 ( 15.676 -2.784 -11.332) 19.543 16.162 ( 6.759 -0.089 7.779) 10.305 17.080 ( -10.333 7.619 -11.132) 16.992 17.900 ( 2.547 3.058 13.149) 13.738 18.753 ( -8.893 -1.103 -5.011) 10.267 37.582 ( 13.413 5.164 3.957) 14.908 37.851 ( 11.359 0.517 -1.250) 11.440 40.659 ( -1.482 1.841 0.775) 2.487 40.974 ( -5.189 -4.257 -5.164) 8.468 59.950 ( -18.573 25.133 5.996) 31.821 60.815 ( -34.641 13.878 -12.535) 39.367 ======================= Grid point 737 (232/378) ======================= q-point: ( 0.35 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.337 ( 9.474 -1.497 7.159) 11.968 4.607 ( 4.034 -4.747 1.825) 6.491 5.305 ( -5.229 15.586 16.229) 23.100 5.967 ( -11.991 8.265 5.236) 15.476 7.827 ( 16.063 -22.696 9.277) 29.312 7.962 ( 12.648 -16.792 7.306) 22.256 9.125 ( 2.561 -3.739 2.885) 5.372 9.677 ( 1.746 7.348 -6.966) 10.274 10.927 ( 2.591 17.071 3.966) 17.716 12.221 ( 1.626 3.397 -14.474) 14.956 12.994 ( 16.868 -16.649 5.642) 24.363 13.556 ( 5.595 -11.466 -1.752) 12.878 14.403 ( 11.899 -0.417 -11.551) 16.589 14.923 ( 10.466 -4.101 -13.000) 17.186 16.301 ( 6.782 1.430 4.653) 8.348 16.910 ( -6.489 7.429 -8.819) 13.231 17.965 ( 3.831 4.343 12.729) 13.984 18.586 ( -7.944 1.534 -1.268) 8.190 37.827 ( 11.101 5.608 3.627) 12.955 38.051 ( 8.692 1.573 -0.358) 8.840 40.640 ( -0.492 0.822 1.800) 2.039 40.876 ( -4.654 -3.642 -2.793) 6.537 59.635 ( -12.989 24.109 5.377) 27.909 60.218 ( -25.610 17.197 -6.816) 31.592 ======================= Grid point 738 (233/378) ======================= q-point: ( 0.41 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.504 ( 7.406 -3.880 7.039) 10.930 4.693 ( 4.036 -5.415 2.667) 7.261 5.191 ( -5.178 11.095 16.081) 20.212 5.716 ( -12.457 4.533 7.931) 15.447 8.094 ( 10.444 -23.341 7.491) 26.646 8.167 ( 7.742 -20.025 6.678) 22.484 9.182 ( 3.021 -1.283 3.342) 4.684 9.702 ( 0.672 2.722 -1.694) 3.275 10.989 ( 3.572 19.470 -3.202) 20.052 12.182 ( -4.376 8.306 -16.665) 19.128 13.293 ( 12.685 -17.464 5.213) 22.205 13.676 ( 5.616 -14.046 -1.167) 15.172 14.626 ( 10.516 0.226 -14.401) 17.834 15.054 ( 2.592 -4.983 -14.743) 15.777 16.413 ( 4.264 4.914 3.712) 7.491 16.830 ( -1.804 5.354 -6.894) 8.913 18.047 ( 4.439 5.687 11.631) 13.687 18.440 ( -6.823 3.648 2.237) 8.054 38.013 ( 7.445 5.821 3.139) 9.958 38.190 ( 5.250 2.595 0.481) 5.876 40.640 ( 0.542 -0.233 2.219) 2.296 40.792 ( -3.742 -3.013 -0.691) 4.854 59.443 ( -6.330 23.459 4.355) 24.685 59.798 ( -16.799 19.406 -2.660) 25.805 ======================= Grid point 739 (234/378) ======================= q-point: ( 0.47 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.635 ( 5.789 -4.493 6.857) 10.036 4.722 ( -1.877 -5.388 4.253) 7.116 5.140 ( 0.040 6.898 13.967) 15.578 5.513 ( -6.672 2.721 10.014) 12.337 8.234 ( 3.617 -23.115 6.788) 24.361 8.266 ( 2.365 -21.626 6.766) 22.783 9.232 ( 1.565 1.231 3.552) 4.072 9.705 ( -0.114 -1.029 1.973) 2.228 11.052 ( 2.135 19.848 -8.414) 21.663 12.099 ( -2.863 11.495 -17.321) 20.984 13.474 ( 5.000 -18.756 5.920) 20.293 13.752 ( 1.906 -14.185 -1.571) 14.398 14.807 ( 6.779 -0.274 -17.902) 19.145 15.041 ( -2.641 -4.928 -14.476) 15.518 16.468 ( 1.341 8.262 4.043) 9.296 16.819 ( 0.099 2.711 -6.196) 6.764 18.132 ( 3.445 6.919 10.197) 12.796 18.324 ( -4.236 4.463 4.947) 7.895 38.115 ( 2.673 5.843 2.705) 6.971 38.259 ( 1.691 3.272 1.079) 3.838 40.658 ( 0.992 -1.149 1.997) 2.508 40.732 ( -2.071 -2.368 0.877) 3.266 59.380 ( -0.542 23.157 2.870) 23.341 59.556 ( -7.137 20.536 0.325) 21.743 ======================= Grid point 748 (235/378) ======================= q-point: ( 0.00 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( 0.000 12.553 10.155) 16.146 3.992 ( 0.000 15.144 5.240) 16.025 4.132 ( 0.000 -3.404 -0.476) 3.437 4.520 ( 0.000 -5.812 -3.117) 6.595 7.549 ( 0.000 22.093 26.963) 34.858 8.227 ( 0.000 2.991 9.216) 9.689 9.312 ( 0.000 1.073 11.713) 11.762 9.446 ( 0.000 -1.330 6.849) 6.977 10.089 ( 0.000 -0.917 -6.616) 6.680 10.152 ( 0.000 6.552 -11.469) 13.208 11.897 ( 0.000 -10.256 19.695) 22.205 12.785 ( 0.000 1.390 6.545) 6.691 13.385 ( 0.000 -2.263 -6.086) 6.493 13.531 ( 0.000 -11.794 -11.211) 16.273 15.999 ( 0.000 -1.271 29.314) 29.342 17.857 ( 0.000 6.909 0.160) 6.911 18.156 ( 0.000 -3.585 -7.555) 8.362 19.390 ( 0.000 -3.843 -20.853) 21.204 36.645 ( 0.000 1.938 2.763) 3.375 36.910 ( 0.000 -0.715 -2.861) 2.949 40.901 ( 0.000 2.706 -7.543) 8.014 41.222 ( 0.000 -4.968 -13.255) 14.156 62.270 ( 0.000 37.844 -7.523) 38.585 63.842 ( 0.000 -33.827 -45.108) 56.382 ======================= Grid point 749 (236/378) ======================= q-point: ( 0.06 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( 17.968 11.340 9.754) 23.379 3.987 ( 1.235 14.027 4.655) 14.830 4.343 ( 19.794 -2.621 -0.648) 19.977 4.505 ( -1.021 -5.625 -2.980) 6.447 7.497 ( -4.970 20.363 27.018) 34.195 8.164 ( -6.123 3.479 9.509) 11.833 9.228 ( -5.799 1.985 10.773) 12.394 9.574 ( 9.997 -2.745 5.770) 11.864 10.096 ( 2.276 9.008 -9.080) 12.991 10.335 ( 16.230 -3.081 -7.761) 18.252 11.895 ( -0.024 -10.031 19.520) 21.947 12.848 ( 6.198 0.868 6.335) 8.905 13.446 ( 5.339 -2.309 -6.678) 8.856 13.552 ( 2.755 -10.832 -11.412) 15.974 15.990 ( -0.766 -1.061 28.467) 28.497 17.839 ( -1.813 6.849 -0.365) 7.094 18.112 ( -4.279 -3.236 -6.985) 8.807 19.338 ( -5.005 -3.904 -19.842) 20.833 36.702 ( 5.626 2.009 2.902) 6.642 36.966 ( 5.471 -0.730 -2.691) 6.140 40.888 ( -1.293 2.694 -7.143) 7.743 41.205 ( -1.722 -4.852 -12.823) 13.818 62.150 ( -11.837 36.524 -6.893) 39.008 63.637 ( -20.028 -30.654 -42.196) 55.868 ======================= Grid point 750 (237/378) ======================= q-point: ( 0.12 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( 0.930 13.204 5.473) 14.324 4.328 ( 16.742 1.048 3.223) 17.082 4.526 ( 11.725 2.080 1.863) 12.053 4.875 ( 31.574 -1.870 -1.828) 31.682 7.366 ( -7.939 15.257 26.908) 31.935 7.995 ( -10.619 4.373 10.556) 15.599 9.121 ( -4.693 1.107 9.914) 11.024 9.763 ( 7.248 3.643 -2.304) 8.433 10.211 ( 10.202 3.433 -2.469) 11.044 10.743 ( 23.798 -3.583 -7.379) 25.172 11.908 ( 1.638 -9.313 18.861) 21.098 13.022 ( 10.951 -0.131 6.057) 12.515 13.525 ( 2.276 -6.974 -11.879) 13.962 13.697 ( 11.783 -4.171 -8.723) 15.242 15.977 ( -0.234 -0.467 25.704) 25.709 17.783 ( -4.106 6.967 -3.701) 8.894 17.999 ( -6.460 -2.665 -3.320) 7.736 19.205 ( -7.998 -3.949 -17.036) 19.230 36.862 ( 10.335 2.220 3.259) 11.062 37.120 ( 9.868 -0.737 -2.198) 10.137 40.852 ( -2.294 2.635 -6.029) 6.968 41.155 ( -3.188 -4.546 -11.585) 12.847 61.820 ( -20.771 33.016 -5.192) 39.351 63.092 ( -33.618 -22.732 -34.818) 53.471 ======================= Grid point 751 (238/378) ======================= q-point: ( 0.18 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( 2.907 10.876 5.020) 12.326 4.396 ( -0.149 -6.842 -2.180) 7.183 5.043 ( 29.100 9.458 7.859) 31.592 5.536 ( 33.535 0.099 -3.209) 33.689 7.197 ( -8.747 6.319 26.172) 28.309 7.759 ( -12.586 4.047 11.839) 17.747 9.051 ( -2.288 0.297 8.934) 9.227 9.840 ( 1.262 9.896 -10.253) 14.305 10.488 ( 16.429 -2.463 5.374) 17.461 11.237 ( 25.108 -2.971 -8.150) 26.565 11.971 ( 4.953 -8.459 17.300) 19.884 13.248 ( 10.149 -0.849 6.490) 12.076 13.581 ( 5.050 -7.807 -16.128) 18.616 13.977 ( 15.809 -1.472 -8.811) 18.158 15.991 ( 1.864 0.294 20.892) 20.977 17.656 ( -8.945 6.997 -11.837) 16.404 17.896 ( -3.135 -1.944 5.885) 6.945 19.038 ( -8.580 -3.586 -13.063) 16.035 37.100 ( 13.447 2.554 3.696) 14.178 37.345 ( 12.507 -0.658 -1.438) 12.607 40.800 ( -2.803 2.473 -4.427) 5.794 41.081 ( -4.209 -4.136 -9.703) 11.356 61.358 ( -25.134 28.383 -2.876) 38.021 62.365 ( -38.385 -13.310 -25.825) 48.140 ======================= Grid point 752 (239/378) ======================= q-point: ( 0.24 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.086 ( 5.051 7.615 4.831) 10.337 4.403 ( 1.120 -6.402 -1.121) 6.595 5.532 ( 18.375 13.095 10.025) 24.690 6.131 ( 23.779 4.359 -4.097) 24.520 7.049 ( -4.602 -7.033 24.073) 25.498 7.539 ( -8.078 -0.269 11.675) 14.200 9.031 ( 0.295 0.443 8.206) 8.224 9.840 ( -0.829 9.148 -11.264) 14.535 10.812 ( 15.392 1.000 7.393) 17.104 11.702 ( 20.997 -3.111 -8.991) 23.052 12.116 ( 10.106 -8.777 14.260) 19.558 13.352 ( 0.939 -3.585 1.580) 4.029 13.787 ( 14.909 -4.834 -14.416) 21.295 14.302 ( 16.541 -0.859 -10.176) 19.439 16.056 ( 4.652 0.768 14.987) 15.711 17.449 ( -11.166 6.987 -14.713) 19.747 17.876 ( 0.855 -1.140 10.819) 10.913 18.875 ( -7.758 -2.511 -8.669) 11.901 37.382 ( 14.633 2.965 4.065) 15.474 37.602 ( 13.182 -0.439 -0.503) 13.199 40.744 ( -2.763 2.155 -2.639) 4.386 40.992 ( -4.695 -3.688 -7.406) 9.513 60.856 ( -24.848 23.705 -0.461) 34.345 61.619 ( -36.022 -4.833 -17.513) 40.345 ======================= Grid point 753 (240/378) ======================= q-point: ( 0.29 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.200 ( 6.289 3.924 4.909) 8.891 4.442 ( 2.804 -5.503 0.535) 6.199 5.725 ( 1.110 17.749 14.407) 22.887 6.327 ( -5.020 6.796 4.131) 9.405 7.130 ( 13.587 -15.419 13.812) 24.762 7.495 ( 3.816 -9.660 8.223) 13.247 9.061 ( 2.657 1.554 7.836) 8.419 9.818 ( -1.371 6.329 -8.957) 11.052 11.076 ( 10.983 8.506 6.531) 15.350 12.037 ( 12.546 -3.499 -8.128) 15.353 12.380 ( 16.041 -10.818 8.691) 21.210 13.350 ( -0.049 -5.274 -2.216) 5.721 14.103 ( 15.809 -2.059 -13.930) 21.171 14.611 ( 14.140 -1.832 -12.247) 18.796 16.174 ( 7.167 0.880 9.761) 12.141 17.236 ( -9.935 7.359 -13.809) 18.535 17.922 ( 3.572 -0.420 12.712) 13.211 18.732 ( -6.668 -0.897 -4.350) 8.012 37.667 ( 13.888 3.390 4.266) 14.918 37.855 ( 12.038 -0.089 0.498) 12.049 40.694 ( -2.238 1.659 -0.959) 2.947 40.899 ( -4.635 -3.227 -4.963) 7.519 60.398 ( -20.882 19.742 1.607) 28.782 60.963 ( -29.775 1.754 -10.825) 31.730 ======================= Grid point 754 (241/378) ======================= q-point: ( 0.35 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.326 ( 6.278 0.369 5.459) 8.328 4.514 ( 4.394 -4.291 2.129) 6.501 5.625 ( -9.337 16.268 17.431) 25.606 6.084 ( -16.013 2.585 11.183) 19.702 7.449 ( 15.775 -14.237 6.414) 22.196 7.640 ( 9.061 -15.133 4.820) 18.284 9.135 ( 4.749 3.390 7.559) 9.549 9.786 ( -1.888 3.351 -4.977) 6.290 11.253 ( 7.275 15.269 3.406) 17.254 12.203 ( 4.326 -4.100 -8.257) 10.183 12.711 ( 16.504 -11.953 4.704) 20.914 13.376 ( 2.864 -6.287 -3.747) 7.860 14.389 ( 12.925 -0.642 -15.730) 20.369 14.842 ( 8.749 -3.702 -14.894) 17.666 16.333 ( 8.652 1.558 6.141) 10.723 17.065 ( -7.249 7.199 -11.056) 15.054 18.011 ( 5.240 0.785 13.000) 14.038 18.608 ( -5.950 0.740 -0.327) 6.005 37.921 ( 11.442 3.774 4.260) 12.780 38.070 ( 9.421 0.318 1.464) 9.539 40.658 ( -1.363 1.019 0.361) 1.739 40.812 ( -4.092 -2.746 -2.653) 5.597 60.044 ( -14.577 16.874 2.963) 22.494 60.447 ( -22.293 6.382 -5.740) 23.889 ======================= Grid point 755 (242/378) ======================= q-point: ( 0.41 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.447 ( 5.959 -1.935 6.458) 8.997 4.604 ( 4.074 -3.477 3.098) 6.188 5.422 ( -9.656 11.835 18.376) 23.896 5.767 ( -14.863 0.272 13.349) 19.980 7.710 ( 10.267 -14.410 4.363) 18.223 7.801 ( 6.478 -16.000 3.586) 17.631 9.243 ( 5.947 5.766 6.883) 10.770 9.738 ( -2.978 0.531 -0.370) 3.047 11.377 ( 5.406 19.509 -1.015) 20.270 12.222 ( -1.634 -4.659 -8.704) 10.007 13.009 ( 13.015 -10.344 2.162) 16.765 13.445 ( 3.316 -8.728 -3.992) 10.154 14.615 ( 10.006 -0.717 -17.823) 20.452 14.948 ( 1.974 -5.030 -17.377) 18.198 16.504 ( 8.221 3.851 3.693) 9.801 16.947 ( -4.875 5.530 -7.449) 10.480 18.123 ( 5.902 2.246 11.952) 13.517 18.493 ( -5.704 1.861 3.304) 6.849 38.112 ( 7.635 4.105 4.068) 9.576 38.222 ( 5.820 0.640 2.309) 6.294 40.641 ( -0.312 0.322 1.135) 1.220 40.739 ( -3.158 -2.245 -0.733) 3.944 59.827 ( -7.286 15.088 3.340) 17.085 60.080 ( -14.776 9.307 -1.927) 17.569 ======================= Grid point 756 (243/378) ======================= q-point: ( 0.47 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.563 ( 5.516 -2.642 6.572) 8.978 4.639 ( -1.246 -3.031 4.692) 5.723 5.295 ( -2.575 8.492 17.541) 19.658 5.534 ( -7.432 -0.868 14.591) 16.398 7.852 ( 4.014 -14.797 3.680) 15.767 7.882 ( 1.626 -15.783 3.455) 16.239 9.348 ( 3.645 8.770 5.526) 10.988 9.678 ( -2.382 -2.547 3.478) 4.925 11.460 ( 2.465 21.746 -4.456) 22.334 12.179 ( -1.757 -5.157 -8.516) 10.109 13.200 ( 5.459 -7.046 0.081) 8.914 13.487 ( 0.830 -12.481 -3.195) 12.910 14.784 ( 6.527 -1.386 -19.657) 20.759 14.932 ( -2.838 -5.317 -18.317) 19.283 16.638 ( 4.498 8.050 1.928) 9.421 16.868 ( -2.796 1.687 -4.540) 5.593 18.237 ( 5.136 3.835 10.097) 11.960 18.384 ( -4.971 1.777 6.324) 8.238 38.216 ( 2.743 4.389 3.810) 6.427 38.298 ( 1.896 0.727 2.894) 3.535 40.644 ( 0.479 -0.217 1.254) 1.359 40.690 ( -1.665 -1.839 0.581) 2.547 59.752 ( -0.689 14.304 2.659) 14.565 59.864 ( -6.620 10.670 0.819) 12.583 ======================= Grid point 765 (244/378) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( 0.000 0.000 7.826) 7.826 4.081 ( 0.000 -0.000 1.532) 1.532 4.172 ( 0.000 0.000 0.226) 0.226 4.433 ( 0.000 -0.000 1.485) 1.485 7.795 ( 0.000 0.000 25.928) 25.928 8.223 ( 0.000 0.000 7.987) 7.987 9.328 ( 0.000 0.000 14.418) 14.418 9.434 ( 0.000 0.000 6.876) 6.876 10.079 ( 0.000 0.000 -6.623) 6.623 10.227 ( 0.000 0.000 -11.389) 11.389 11.793 ( 0.000 0.000 20.070) 20.070 12.800 ( 0.000 0.000 6.079) 6.079 13.362 ( 0.000 0.000 -5.752) 5.752 13.408 ( 0.000 0.000 -11.016) 11.016 15.983 ( 0.000 0.000 30.944) 30.944 17.953 ( 0.000 0.000 6.521) 6.521 18.093 ( 0.000 0.000 -15.193) 15.193 19.353 ( 0.000 0.000 -21.138) 21.138 36.665 ( 0.000 -0.000 2.481) 2.481 36.903 ( 0.000 0.000 -2.554) 2.554 40.932 ( 0.000 0.000 -7.960) 7.960 41.168 ( 0.000 -0.000 -13.465) 13.465 62.879 ( 0.000 0.000 -19.889) 19.889 63.268 ( 0.000 -0.000 -32.297) 32.297 ======================= Grid point 767 (245/378) ======================= q-point: ( 0.06 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( 17.118 0.000 7.349) 18.629 4.149 ( 0.271 0.000 0.147) 0.308 4.311 ( 19.780 -0.000 0.865) 19.799 4.421 ( -0.424 -0.000 1.595) 1.651 7.719 ( -7.288 0.000 26.212) 27.206 8.173 ( -4.954 0.000 8.449) 9.794 9.255 ( -5.965 0.000 13.697) 14.939 9.545 ( 10.483 0.000 5.843) 12.001 10.230 ( 0.432 0.000 -10.653) 10.661 10.268 ( 17.339 0.000 -6.519) 18.524 11.793 ( 0.225 0.000 19.915) 19.916 12.856 ( 5.610 0.000 5.632) 7.949 13.421 ( 1.224 0.000 -11.438) 11.503 13.443 ( 7.881 0.000 -5.931) 9.864 15.977 ( -0.501 0.000 30.090) 30.094 17.935 ( -1.694 0.000 6.830) 7.037 18.052 ( -4.115 0.000 -15.490) 16.027 19.301 ( -5.085 0.000 -20.175) 20.806 36.722 ( 5.698 -0.000 2.636) 6.278 36.958 ( 5.462 0.000 -2.352) 5.947 40.918 ( -1.310 0.000 -7.598) 7.710 41.152 ( -1.608 -0.000 -13.007) 13.106 62.729 ( -14.777 0.000 -18.505) 23.682 63.112 ( -15.351 -0.000 -30.504) 34.149 ======================= Grid point 769 (246/378) ======================= q-point: ( 0.12 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.147 ( 0.079 0.000 -0.127) 0.149 4.270 ( 4.175 -0.000 3.506) 5.452 4.575 ( 22.913 0.000 4.776) 23.406 4.850 ( 32.588 -0.000 -0.578) 32.594 7.525 ( -11.932 0.000 26.768) 29.307 8.028 ( -9.601 0.000 9.817) 13.731 9.137 ( -5.284 0.000 12.765) 13.815 9.794 ( 12.515 0.000 0.761) 12.538 10.263 ( 4.169 0.000 -6.014) 7.318 10.697 ( 24.620 0.000 -7.400) 25.708 11.814 ( 2.191 0.000 19.341) 19.464 13.017 ( 10.435 0.000 4.887) 11.523 13.450 ( 1.597 0.000 -12.870) 12.968 13.660 ( 13.601 0.000 -6.650) 15.140 15.972 ( 0.219 0.000 27.253) 27.254 17.893 ( -2.294 0.000 7.878) 8.205 17.932 ( -7.868 0.000 -16.307) 18.106 19.166 ( -8.000 0.000 -17.401) 19.152 36.885 ( 10.477 -0.000 3.039) 10.909 37.112 ( 9.880 0.000 -1.778) 10.039 40.882 ( -2.348 0.000 -6.575) 6.981 41.106 ( -2.996 -0.000 -11.696) 12.074 62.320 ( -25.583 0.000 -14.838) 29.574 62.689 ( -26.317 0.000 -25.836) 36.879 ======================= Grid point 771 (247/378) ======================= q-point: ( 0.18 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.160 ( 1.350 0.000 -0.029) 1.350 4.281 ( -0.012 -0.000 2.307) 2.307 5.140 ( 29.790 0.000 5.808) 30.351 5.534 ( 34.947 -0.000 -2.478) 35.034 7.259 ( -14.606 0.000 27.175) 30.852 7.799 ( -13.156 0.000 11.369) 17.388 9.059 ( -2.388 0.000 11.678) 11.920 9.945 ( 2.171 0.000 -8.660) 8.928 10.461 ( 15.894 0.000 3.468) 16.268 11.199 ( 25.135 0.000 -8.669) 26.588 11.888 ( 5.422 0.000 18.043) 18.840 13.236 ( 9.469 0.000 5.645) 11.024 13.503 ( 5.581 0.000 -16.273) 17.204 13.963 ( 16.512 0.000 -8.083) 18.384 15.995 ( 2.273 0.000 22.224) 22.340 17.747 ( -10.505 0.000 -17.210) 20.163 17.855 ( -1.190 0.000 9.758) 9.830 19.002 ( -8.246 0.000 -13.285) 15.637 37.127 ( 13.647 -0.000 3.549) 14.101 37.338 ( 12.571 0.000 -0.919) 12.605 40.828 ( -2.924 0.000 -5.069) 5.852 41.036 ( -3.983 -0.000 -9.712) 10.497 61.756 ( -30.324 0.000 -10.012) 31.934 62.112 ( -30.940 0.000 -19.859) 36.765 ======================= Grid point 773 (248/378) ======================= q-point: ( 0.24 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.200 ( 2.616 0.000 0.702) 2.709 4.301 ( 2.123 -0.000 2.427) 3.225 5.670 ( 21.999 0.000 7.018) 23.092 6.171 ( 27.027 -0.000 -4.142) 27.343 6.972 ( -12.682 -0.000 27.049) 29.874 7.536 ( -12.164 0.000 11.490) 16.733 9.044 ( 0.803 0.000 10.825) 10.855 9.932 ( -2.373 0.000 -9.456) 9.749 10.822 ( 18.918 0.000 5.077) 19.587 11.661 ( 20.783 0.000 -9.649) 22.913 12.033 ( 9.361 0.000 15.564) 18.162 13.312 ( -0.332 0.000 0.914) 0.973 13.740 ( 16.611 0.000 -14.471) 22.030 14.294 ( 16.406 0.000 -10.172) 19.304 16.065 ( 4.770 0.000 16.047) 16.741 17.529 ( -11.188 0.000 -17.296) 20.599 17.855 ( 1.353 0.000 11.999) 12.075 18.849 ( -7.035 0.000 -8.644) 11.145 37.412 ( 14.864 -0.000 4.015) 15.397 37.597 ( 13.308 0.000 0.102) 13.308 40.769 ( -2.975 0.000 -3.333) 4.467 40.952 ( -4.453 -0.000 -7.318) 8.566 61.158 ( -29.210 0.000 -5.187) 29.667 61.501 ( -30.014 0.000 -13.975) 33.108 ======================= Grid point 775 (249/378) ======================= q-point: ( 0.29 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.261 ( 3.465 0.000 2.197) 4.103 4.365 ( 4.314 -0.000 2.695) 5.087 5.938 ( 3.692 0.000 11.195) 11.788 6.373 ( -9.423 0.000 9.942) 13.698 6.973 ( 15.553 -0.000 11.229) 19.183 7.384 ( -1.688 0.000 8.320) 8.490 9.088 ( 3.584 0.000 10.270) 10.877 9.875 ( -3.044 0.000 -7.057) 7.685 11.169 ( 15.438 0.000 4.522) 16.087 11.997 ( 12.484 0.000 -9.578) 15.735 12.265 ( 14.103 0.000 11.280) 18.059 13.295 ( -0.314 0.000 -2.314) 2.335 14.083 ( 16.895 0.000 -15.140) 22.686 14.592 ( 13.211 0.000 -12.810) 18.402 16.184 ( 7.247 0.000 10.675) 12.903 17.317 ( -9.906 0.000 -15.731) 18.590 17.911 ( 4.173 0.000 13.536) 14.164 18.723 ( -5.790 0.000 -4.143) 7.119 37.703 ( 14.125 -0.000 4.332) 14.774 37.853 ( 12.200 0.000 1.159) 12.255 40.714 ( -2.542 0.000 -1.635) 3.023 40.863 ( -4.379 -0.000 -4.821) 6.513 60.627 ( -23.886 0.000 -1.195) 23.916 60.945 ( -25.657 0.000 -8.881) 27.150 ======================= Grid point 777 (250/378) ======================= q-point: ( 0.35 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( 4.193 0.000 4.252) 5.972 4.465 ( 5.497 -0.000 2.988) 6.257 5.836 ( -11.728 0.000 16.146) 19.956 6.072 ( -17.320 0.000 16.671) 24.039 7.320 ( 16.121 -0.000 3.095) 16.415 7.463 ( 7.837 0.000 4.289) 8.934 9.183 ( 5.924 0.000 9.642) 11.316 9.813 ( -3.375 0.000 -3.781) 5.068 11.429 ( 11.135 0.000 3.499) 11.672 12.142 ( 2.278 0.000 -7.945) 8.265 12.580 ( 17.065 0.000 5.826) 18.033 13.318 ( 2.345 0.000 -4.863) 5.399 14.384 ( 13.263 0.000 -17.328) 21.822 14.802 ( 7.680 0.000 -15.781) 17.551 16.350 ( 9.353 0.000 6.876) 11.609 17.142 ( -7.729 0.000 -12.343) 14.563 18.014 ( 6.067 0.000 13.582) 14.876 18.615 ( -5.221 0.000 -0.034) 5.222 37.961 ( 11.683 -0.000 4.457) 12.505 38.070 ( 9.548 0.000 2.146) 9.787 40.671 ( -1.730 0.000 -0.226) 1.744 40.782 ( -3.817 -0.000 -2.528) 4.578 60.226 ( -16.341 0.000 1.499) 16.410 60.494 ( -19.787 0.000 -4.704) 20.338 ======================= Grid point 779 (251/378) ======================= q-point: ( 0.41 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.429 ( 5.184 0.000 6.163) 8.053 4.569 ( 4.403 -0.000 3.400) 5.563 5.575 ( -12.427 0.000 18.631) 22.395 5.742 ( -15.237 -0.000 16.922) 22.771 7.577 ( 9.663 -0.000 1.985) 9.865 7.622 ( 7.052 0.000 2.598) 7.516 9.319 ( 7.603 0.000 8.481) 11.390 9.735 ( -4.695 0.000 -0.080) 4.696 11.627 ( 9.311 -0.000 1.266) 9.397 12.109 ( -4.825 0.000 -5.883) 7.608 12.911 ( 15.655 0.000 0.879) 15.680 13.360 ( 1.018 0.000 -6.271) 6.353 14.609 ( 9.616 0.000 -19.105) 21.389 14.893 ( 1.591 0.000 -18.422) 18.491 16.544 ( 9.884 0.000 3.795) 10.587 17.006 ( -6.319 0.000 -7.852) 10.079 18.143 ( 6.726 0.000 12.209) 13.939 18.511 ( -5.383 0.000 3.663) 6.511 38.157 ( 7.968 -0.000 4.383) 9.093 38.223 ( 5.750 0.000 2.990) 6.481 40.647 ( -0.663 0.000 0.686) 0.954 40.715 ( -2.894 -0.000 -0.697) 2.977 59.983 ( -8.190 0.000 2.725) 8.631 60.164 ( -13.428 0.000 -1.379) 13.499 ======================= Grid point 781 (252/378) ======================= q-point: ( 0.47 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.537 ( 5.352 0.000 6.604) 8.500 4.609 ( -0.981 0.000 4.786) 4.885 5.416 ( -2.239 0.000 18.671) 18.805 5.493 ( -9.167 -0.000 17.200) 19.490 7.706 ( 3.461 -0.000 1.942) 3.969 7.717 ( 2.233 0.000 2.100) 3.065 9.475 ( 7.938 -0.000 6.459) 10.234 9.622 ( -6.670 0.000 3.519) 7.542 11.807 ( 8.929 -0.000 -1.532) 9.059 11.977 ( -7.973 0.000 -3.929) 8.889 13.178 ( 10.811 0.000 -2.966) 11.211 13.330 ( -4.464 -0.000 -5.513) 7.094 14.770 ( 6.763 0.000 -20.044) 21.154 14.873 ( -3.352 0.000 -19.915) 20.195 16.729 ( 8.547 -0.000 0.513) 8.562 16.879 ( -6.776 0.000 -3.365) 7.566 18.275 ( 6.536 0.000 9.886) 11.851 18.399 ( -5.958 0.000 6.980) 9.177 38.271 ( 3.485 -0.000 4.114) 5.391 38.293 ( 1.250 0.000 3.650) 3.858 40.646 ( 0.535 0.000 0.953) 1.093 40.668 ( -1.757 0.000 0.493) 1.824 59.899 ( -0.384 0.000 2.525) 2.554 59.964 ( -6.775 0.000 1.081) 6.860 ======================= Grid point 884 (253/378) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 0.000 0.000 28.054) 28.054 3.633 ( 0.000 0.000 32.227) 32.227 3.810 ( 0.000 0.000 -17.903) 17.903 4.477 ( 0.000 0.000 -2.747) 2.747 5.650 ( 0.000 0.000 26.777) 26.777 6.474 ( 0.000 0.000 -8.072) 8.072 9.822 ( 0.000 0.000 4.225) 4.225 9.835 ( 0.000 0.000 20.874) 20.874 10.001 ( 0.000 0.000 -4.253) 4.253 10.782 ( 0.000 0.000 -23.962) 23.962 12.901 ( 0.000 0.000 13.313) 13.313 12.977 ( 0.000 0.000 10.887) 10.887 13.431 ( 0.000 0.000 -11.879) 11.879 13.563 ( 0.000 0.000 -16.843) 16.843 16.153 ( 0.000 0.000 11.434) 11.434 16.690 ( 0.000 0.000 -14.226) 14.226 19.081 ( 0.000 0.000 11.200) 11.200 19.483 ( 0.000 0.000 -7.702) 7.702 36.555 ( 0.000 0.000 6.282) 6.282 36.825 ( 0.000 0.000 -6.531) 6.531 40.697 ( 0.000 0.000 16.765) 16.765 41.436 ( 0.000 0.000 -18.023) 18.023 61.454 ( 0.000 0.000 13.334) 13.334 62.123 ( 0.000 0.000 -18.547) 18.547 ======================= Grid point 885 (254/378) ======================= q-point: ( 0.06 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 23.395 0.000 26.428) 35.295 3.608 ( 0.183 0.000 27.880) 27.881 4.065 ( 21.907 0.000 -14.506) 26.274 4.462 ( -0.866 0.000 -4.022) 4.114 5.732 ( 8.764 0.000 27.115) 28.496 6.519 ( 5.029 0.000 -7.086) 8.690 9.704 ( -7.009 0.000 15.056) 16.608 9.860 ( 2.907 0.000 3.532) 4.575 10.241 ( 17.406 0.000 0.499) 17.413 10.793 ( 0.791 0.000 -21.213) 21.228 12.514 ( -16.260 0.000 14.319) 21.667 13.149 ( -15.221 0.000 -16.652) 22.560 13.408 ( 21.608 0.000 8.570) 23.245 13.864 ( 17.275 0.000 -11.973) 21.019 16.202 ( 4.847 0.000 10.006) 11.118 16.686 ( -0.277 0.000 -13.135) 13.138 18.998 ( -8.057 0.000 12.203) 14.623 19.426 ( -5.631 0.000 -8.117) 9.879 36.600 ( 4.512 0.000 6.338) 7.780 36.883 ( 5.676 0.000 -7.225) 9.188 40.697 ( -0.038 0.000 16.347) 16.347 41.411 ( -2.430 0.000 -17.254) 17.425 61.312 ( -13.953 0.000 11.810) 18.280 61.864 ( -24.919 0.000 -13.465) 28.324 ======================= Grid point 886 (255/378) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( 25.541 0.000 25.279) 35.935 3.667 ( 5.931 0.000 26.219) 26.881 4.481 ( 3.886 0.000 -7.517) 8.462 4.569 ( 26.219 0.000 -16.033) 30.733 6.030 ( 22.294 0.000 26.429) 34.577 6.704 ( 14.691 0.000 -4.241) 15.291 9.596 ( -3.965 0.000 14.735) 15.260 9.888 ( -0.986 0.000 2.900) 3.064 10.603 ( 17.518 0.000 -3.552) 17.875 10.788 ( -1.942 0.000 -13.554) 13.692 12.375 ( 3.646 0.000 10.033) 10.675 12.915 ( -7.162 0.000 -16.729) 18.198 13.770 ( 14.662 0.000 7.107) 16.294 14.178 ( 14.092 0.000 -10.403) 17.516 16.334 ( 8.115 0.000 6.717) 10.534 16.682 ( -0.072 0.000 -10.007) 10.008 18.778 ( -13.699 0.000 14.342) 19.833 19.266 ( -10.363 0.000 -9.173) 13.840 36.727 ( 8.156 0.000 6.388) 10.360 37.036 ( 9.335 0.000 -8.596) 12.690 40.697 ( 0.043 0.000 15.177) 15.177 41.344 ( -4.111 0.000 -15.265) 15.809 60.923 ( -24.619 0.000 8.058) 25.904 61.213 ( -38.558 0.000 -3.330) 38.701 ======================= Grid point 887 (256/378) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.844 ( 11.692 0.000 22.111) 25.012 4.045 ( 14.472 0.000 23.844) 27.892 4.633 ( 10.623 0.000 -8.492) 13.600 5.008 ( 16.737 0.000 -16.072) 23.205 6.627 ( 37.166 0.000 22.830) 43.618 7.134 ( 28.584 0.000 -0.836) 28.596 9.543 ( -1.382 0.000 13.776) 13.845 9.814 ( -6.008 0.000 4.658) 7.602 10.718 ( -4.466 0.000 -8.789) 9.859 10.866 ( 7.632 0.000 -12.075) 14.285 12.641 ( 21.305 0.000 3.598) 21.607 12.912 ( 7.534 0.000 -11.120) 13.432 13.995 ( 8.497 0.000 6.850) 10.914 14.412 ( 9.346 0.000 -10.827) 14.303 16.505 ( 8.676 0.000 3.592) 9.390 16.687 ( 0.631 0.000 -5.491) 5.527 18.478 ( -16.033 0.000 16.077) 22.705 19.026 ( -13.561 0.000 -10.402) 17.091 36.914 ( 10.382 0.000 6.178) 12.081 37.236 ( 10.497 0.000 -9.503) 14.159 40.700 ( 0.308 0.000 13.467) 13.471 41.255 ( -4.800 0.000 -12.649) 13.529 60.370 ( -30.311 0.000 3.823) 30.551 60.415 ( -40.555 0.000 4.375) 40.790 ======================= Grid point 888 (257/378) ======================= q-point: ( 0.24 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( 15.063 0.000 16.981) 22.698 4.281 ( 10.645 0.000 19.211) 21.963 4.848 ( 10.140 0.000 -5.344) 11.462 5.232 ( 6.695 0.000 -13.700) 15.249 7.440 ( 42.985 0.000 17.996) 46.600 7.785 ( 35.071 0.000 1.713) 35.113 9.546 ( 1.935 0.000 11.244) 11.410 9.679 ( -6.868 0.000 6.567) 9.502 10.634 ( -3.702 0.000 -9.319) 10.027 10.896 ( -3.691 0.000 -20.035) 20.372 13.137 ( 26.938 0.000 0.262) 26.940 13.195 ( 19.561 0.000 -3.882) 19.942 14.126 ( 5.306 0.000 6.419) 8.329 14.551 ( 4.909 0.000 -12.044) 13.006 16.662 ( 6.804 0.000 1.753) 7.026 16.706 ( 1.255 0.000 -0.914) 1.552 18.164 ( -15.155 0.000 16.463) 22.376 18.741 ( -14.925 0.000 -11.208) 18.665 37.128 ( 11.055 0.000 5.500) 12.348 37.439 ( 9.735 0.000 -9.490) 13.595 40.710 ( 0.741 0.000 11.467) 11.491 41.160 ( -4.689 0.000 -9.817) 10.880 59.649 ( -36.043 0.000 7.528) 36.821 59.755 ( -31.122 0.000 0.515) 31.126 ======================= Grid point 889 (258/378) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.418 ( 15.159 0.000 11.945) 19.300 4.490 ( 10.598 0.000 15.198) 18.528 5.021 ( 7.199 0.000 -3.359) 7.944 5.307 ( 1.530 0.000 -10.067) 10.183 8.259 ( 37.970 0.000 13.009) 40.136 8.437 ( 28.791 0.000 4.240) 29.102 9.571 ( -3.296 0.000 6.739) 7.502 9.637 ( 7.794 0.000 6.687) 10.270 10.575 ( -2.216 0.000 -10.289) 10.525 10.768 ( -8.113 0.000 -22.274) 23.705 13.614 ( 21.100 0.000 -0.073) 21.100 13.649 ( 23.381 0.000 -1.412) 23.424 14.228 ( 5.610 0.000 5.619) 7.940 14.619 ( 2.375 0.000 -12.359) 12.585 16.732 ( 1.241 0.000 2.275) 2.591 16.765 ( 3.500 0.000 1.124) 3.677 17.897 ( -11.295 0.000 15.112) 18.867 18.447 ( -14.443 0.000 -10.974) 18.139 37.343 ( 10.365 0.000 4.288) 11.217 37.614 ( 7.749 0.000 -8.680) 11.636 40.730 ( 1.249 0.000 9.378) 9.461 41.072 ( -4.110 0.000 -6.958) 8.081 59.004 ( -28.843 0.000 7.479) 29.797 59.163 ( -28.065 0.000 -1.320) 28.096 ======================= Grid point 890 (259/378) ======================= q-point: ( 0.35 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.698 ( 10.248 0.000 11.613) 15.488 4.699 ( 12.846 0.000 7.630) 14.941 5.132 ( 4.019 0.000 -2.144) 4.555 5.309 ( -1.173 0.000 -6.132) 6.243 8.862 ( 20.577 0.000 5.633) 21.334 8.870 ( 14.660 0.000 5.195) 15.553 9.598 ( 7.726 0.000 7.563) 10.812 9.861 ( 13.812 0.000 1.672) 13.913 10.547 ( -0.644 0.000 -9.723) 9.744 10.611 ( -6.883 0.000 -19.250) 20.444 13.981 ( 15.067 0.000 0.319) 15.070 14.012 ( 12.503 0.000 -2.506) 12.752 14.379 ( 10.088 0.000 4.605) 11.090 14.662 ( 2.322 0.000 -10.197) 10.458 16.752 ( 0.700 0.000 3.377) 3.449 16.800 ( 0.186 0.000 1.245) 1.259 17.730 ( -5.458 0.000 11.983) 13.168 18.179 ( -12.387 0.000 -9.174) 15.414 37.532 ( 8.668 0.000 2.614) 9.054 37.742 ( 5.084 0.000 -7.319) 8.911 40.759 ( 1.710 0.000 7.304) 7.501 40.998 ( -3.396 0.000 -4.171) 5.378 58.513 ( -20.580 0.000 5.900) 21.409 58.661 ( -22.293 0.000 -1.784) 22.364 ======================= Grid point 891 (260/378) ======================= q-point: ( 0.41 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.889 ( 8.847 0.000 8.127) 12.013 4.919 ( 9.309 0.000 4.319) 10.262 5.181 ( 0.972 0.000 -0.973) 1.375 5.266 ( -3.041 0.000 -2.271) 3.795 9.054 ( 5.153 0.000 1.544) 5.380 9.074 ( 3.952 0.000 -1.778) 4.334 9.851 ( 14.292 0.000 7.136) 15.975 10.099 ( 7.899 0.000 -1.717) 8.084 10.530 ( -0.428 0.000 -11.391) 11.399 10.552 ( 1.153 0.000 -7.242) 7.334 14.173 ( 5.198 0.000 -3.074) 6.039 14.195 ( 6.629 0.000 -2.126) 6.961 14.588 ( 9.423 0.000 3.194) 9.950 14.716 ( 2.867 0.000 -5.056) 5.813 16.760 ( 0.161 0.000 2.761) 2.766 16.786 ( -1.142 0.000 1.348) 1.767 17.677 ( -0.180 0.000 7.818) 7.821 17.962 ( -9.400 0.000 -5.703) 10.995 37.682 ( 6.344 0.000 0.627) 6.375 37.813 ( 2.140 0.000 -5.589) 5.984 40.797 ( 2.034 0.000 5.246) 5.627 40.937 ( -2.802 0.000 -1.536) 3.196 58.192 ( -11.801 0.000 3.835) 12.409 58.291 ( -14.768 0.000 -1.218) 14.818 ======================= Grid point 892 (261/378) ======================= q-point: ( 0.47 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 602 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.040 ( 5.977 0.000 4.451) 7.452 5.061 ( 4.517 0.000 2.052) 4.961 5.174 ( -1.262 0.000 0.634) 1.412 5.194 ( -3.792 0.000 1.280) 4.002 9.109 ( 1.052 0.000 -2.966) 3.147 9.111 ( 0.678 0.000 -4.361) 4.413 10.069 ( 7.173 0.000 2.054) 7.461 10.151 ( -1.438 0.000 -2.398) 2.796 10.571 ( 2.453 0.000 -4.117) 4.793 10.582 ( 1.186 0.000 -3.941) 4.115 14.247 ( 2.374 0.000 -4.014) 4.663 14.264 ( 0.894 0.000 -4.121) 4.217 14.723 ( 4.076 0.000 2.032) 4.555 14.755 ( 0.565 0.000 -0.316) 0.647 16.761 ( 0.069 0.000 1.670) 1.672 16.767 ( -0.627 0.000 1.233) 1.383 17.711 ( 3.395 0.000 3.411) 4.812 17.807 ( -6.311 0.000 -1.203) 6.424 37.782 ( 3.678 0.000 -1.499) 3.972 37.826 ( -0.823 0.000 -3.613) 3.706 40.839 ( 2.234 0.000 3.139) 3.853 40.885 ( -2.437 0.000 0.898) 2.597 58.048 ( -2.767 0.000 1.802) 3.302 58.082 ( -6.227 0.000 0.056) 6.228 ======================= Grid point 901 (262/378) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 0.000 7.124 26.665) 27.600 3.582 ( 0.000 -3.303 31.788) 31.959 3.836 ( 0.000 2.659 -17.024) 17.230 4.499 ( 0.000 0.672 -9.380) 9.404 5.845 ( 0.000 19.953 30.241) 36.231 6.661 ( 0.000 18.225 -6.864) 19.475 9.725 ( 0.000 -9.771 19.654) 21.949 9.800 ( 0.000 -2.087 4.813) 5.246 10.003 ( 0.000 0.159 -4.826) 4.829 10.612 ( 0.000 -16.046 -22.568) 27.691 12.902 ( 0.000 0.124 12.951) 12.952 12.979 ( 0.000 -0.062 13.138) 13.139 13.419 ( 0.000 -1.241 -11.601) 11.668 13.655 ( 0.000 7.363 -19.253) 20.613 16.173 ( 0.000 2.393 13.061) 13.279 16.783 ( 0.000 9.039 -15.926) 18.312 18.981 ( 0.000 -9.140 14.126) 16.825 19.483 ( 0.000 -0.828 -10.398) 10.431 36.564 ( 0.000 0.998 6.118) 6.198 36.828 ( 0.000 0.262 -6.355) 6.360 40.715 ( 0.000 1.575 14.672) 14.756 41.405 ( 0.000 -3.134 -17.416) 17.696 61.351 ( 0.000 -5.022 22.432) 22.987 62.448 ( 0.000 26.255 -32.888) 42.082 ======================= Grid point 902 (263/378) ======================= q-point: ( 0.06 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 22.640 6.525 25.275) 34.553 3.584 ( 1.986 -1.351 28.420) 28.521 4.076 ( 21.441 1.482 -14.753) 26.068 4.480 ( -1.276 0.614 -9.351) 9.458 5.917 ( 7.746 18.791 29.502) 35.825 6.692 ( 3.606 16.923 -5.992) 18.311 9.584 ( -7.637 -9.720 14.950) 19.398 9.881 ( 3.105 0.296 2.471) 3.980 10.196 ( 16.308 -4.244 -0.790) 16.870 10.644 ( 3.267 -13.374 -18.920) 23.398 12.578 ( -14.099 5.708 14.267) 20.855 13.165 ( -7.062 0.696 -7.875) 10.601 13.415 ( 14.669 0.447 1.414) 14.743 13.863 ( 13.992 -0.291 -13.593) 19.510 16.212 ( 3.765 1.389 11.897) 12.556 16.778 ( -0.451 8.773 -14.997) 17.380 18.907 ( -7.281 -8.440 14.828) 18.550 19.426 ( -5.615 -0.737 -10.557) 11.980 36.611 ( 4.609 1.097 6.168) 7.778 36.885 ( 5.618 0.196 -6.933) 8.926 40.713 ( -0.163 1.459 14.364) 14.439 41.381 ( -2.300 -3.000 -16.706) 17.128 61.209 ( -14.040 -4.589 21.111) 25.765 62.193 ( -24.563 26.237 -27.857) 45.473 ======================= Grid point 903 (264/378) ======================= q-point: ( 0.12 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 10.905 -0.980 26.190) 28.386 3.785 ( 22.040 8.125 23.090) 32.938 4.478 ( 3.841 -0.880 -10.666) 11.370 4.589 ( 26.057 2.317 -14.133) 29.734 6.181 ( 19.793 15.035 26.879) 36.610 6.835 ( 11.876 12.992 -3.485) 17.944 9.459 ( -5.006 -10.723 14.267) 18.536 9.901 ( -1.380 -2.055 -2.918) 3.827 10.523 ( 12.693 -7.012 -1.792) 14.612 10.748 ( 8.477 -2.817 -10.106) 13.488 12.449 ( 2.318 6.734 10.693) 12.848 13.002 ( -5.785 7.644 -15.039) 17.834 13.729 ( 14.182 -4.096 5.612) 15.793 14.128 ( 12.257 -5.146 -10.532) 16.960 16.314 ( 6.208 -1.303 9.169) 11.149 16.768 ( -0.416 7.927 -12.409) 14.731 18.707 ( -12.415 -6.543 16.349) 21.547 19.268 ( -10.138 -0.344 -11.033) 14.988 36.741 ( 8.336 1.377 6.218) 10.490 37.037 ( 9.373 0.163 -8.096) 12.386 40.709 ( -0.173 1.144 13.485) 13.534 41.318 ( -3.916 -2.668 -14.846) 15.583 60.816 ( -24.903 -3.159 17.970) 30.871 61.551 ( -38.086 25.547 -17.677) 49.149 ======================= Grid point 904 (265/378) ======================= q-point: ( 0.18 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( 12.013 -1.847 22.041) 25.170 4.163 ( 13.504 9.706 19.832) 25.882 4.625 ( 11.029 -0.673 -7.718) 13.478 5.051 ( 18.383 4.358 -14.330) 23.712 6.718 ( 33.838 8.934 22.209) 41.450 7.199 ( 25.074 6.589 -0.356) 25.928 9.384 ( -2.454 -11.336 12.786) 17.263 9.834 ( -4.833 -3.745 -4.402) 7.534 10.606 ( -1.624 -3.758 0.855) 4.182 10.980 ( 10.884 6.145 -11.964) 17.302 12.670 ( 18.742 2.718 4.552) 19.477 12.994 ( 5.752 7.566 -11.397) 14.840 13.960 ( 9.269 -3.603 5.495) 11.362 14.340 ( 9.143 -7.110 -9.794) 15.168 16.442 ( 6.275 -4.704 6.564) 10.227 16.766 ( 0.272 6.333 -8.883) 10.913 18.436 ( -14.407 -3.781 17.542) 23.012 19.036 ( -13.026 0.540 -11.602) 17.452 36.931 ( 10.624 1.804 6.037) 12.352 37.240 ( 10.724 0.424 -8.884) 13.932 40.708 ( 0.051 0.702 12.149) 12.170 41.232 ( -4.610 -2.279 -12.360) 13.387 60.256 ( -30.714 -0.335 14.638) 34.025 60.762 ( -40.085 23.224 -9.745) 47.340 ======================= Grid point 905 (266/378) ======================= q-point: ( 0.24 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.077 ( 14.987 -2.171 16.951) 22.730 4.372 ( 9.295 7.106 14.277) 18.458 4.847 ( 10.096 0.749 -2.100) 10.340 5.302 ( 7.577 6.801 -12.588) 16.190 7.467 ( 40.032 2.629 17.105) 43.613 7.788 ( 32.446 0.263 1.899) 32.502 9.366 ( 0.828 -10.957 10.005) 14.860 9.733 ( -4.801 -3.405 -3.105) 6.654 10.539 ( -4.174 -0.644 1.994) 4.671 11.095 ( 0.670 13.202 -19.624) 23.661 13.116 ( 24.184 -2.225 0.872) 24.301 13.230 ( 17.307 3.189 -4.770) 18.234 14.111 ( 6.493 -1.608 5.391) 8.591 14.493 ( 6.492 -5.671 -10.565) 13.635 16.547 ( 4.133 -7.372 5.394) 10.026 16.780 ( 1.148 3.565 -5.723) 6.840 18.158 ( -13.255 -0.355 17.543) 21.990 18.764 ( -14.137 1.926 -11.749) 18.482 37.151 ( 11.325 2.323 5.428) 12.772 37.449 ( 10.125 1.040 -8.873) 13.503 40.713 ( 0.483 0.214 10.520) 10.533 41.141 ( -4.539 -1.937 -9.630) 10.821 59.636 ( -30.910 3.712 11.909) 33.332 60.002 ( -36.108 19.582 -5.996) 41.511 ======================= Grid point 906 (267/378) ======================= q-point: ( 0.29 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.380 ( 15.154 -2.406 12.153) 19.574 4.557 ( 9.390 4.682 11.333) 15.444 5.011 ( 6.493 0.163 0.026) 6.495 5.385 ( 1.546 7.395 -9.706) 12.300 8.232 ( 35.382 -2.765 12.048) 37.479 8.402 ( 27.613 -3.661 3.615) 28.088 9.423 ( 4.898 -8.850 6.483) 12.014 9.675 ( 0.114 -3.700 -1.362) 3.944 10.463 ( -3.283 -0.478 0.665) 3.384 11.036 ( -5.625 17.844 -23.153) 29.768 13.555 ( 19.435 -5.950 0.521) 20.332 13.633 ( 21.295 -1.750 -2.584) 21.523 14.235 ( 6.473 0.523 5.502) 8.511 14.607 ( 5.274 -1.221 -11.229) 12.466 16.604 ( 1.716 -8.472 5.660) 10.333 16.803 ( 0.881 -0.087 -3.903) 4.003 17.929 ( -9.449 3.315 15.893) 18.785 18.487 ( -13.562 3.600 -10.897) 17.766 37.371 ( 10.612 2.849 4.326) 11.809 37.633 ( 8.223 1.900 -8.139) 11.725 40.727 ( 1.020 -0.255 8.745) 8.808 41.055 ( -4.006 -1.683 -6.846) 8.109 59.062 ( -26.458 7.391 9.430) 29.044 59.344 ( -30.130 16.514 -4.476) 34.649 ======================= Grid point 907 (268/378) ======================= q-point: ( 0.35 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.661 ( 12.815 -2.277 8.343) 15.460 4.743 ( 9.344 2.490 8.792) 13.070 5.106 ( 3.209 -1.212 0.923) 3.552 5.382 ( -1.544 6.646 -6.537) 9.449 8.797 ( 19.864 -5.889 5.048) 21.325 8.830 ( 15.335 -4.573 3.893) 16.469 9.558 ( 9.399 -4.507 5.910) 11.982 9.782 ( 10.280 -8.415 -0.681) 13.303 10.418 ( -1.086 -1.009 -0.568) 1.587 10.904 ( -7.071 18.329 -22.068) 29.546 13.884 ( 13.592 -7.756 0.772) 15.668 13.995 ( 14.394 -3.672 -4.320) 15.471 14.381 ( 8.230 0.577 6.000) 10.201 14.708 ( 4.920 3.732 -9.973) 11.730 16.624 ( 0.518 -8.786 5.940) 10.618 16.808 ( -0.341 -2.375 -3.050) 3.880 17.792 ( -4.408 6.097 12.629) 14.700 18.236 ( -11.599 5.231 -8.655) 15.388 37.565 ( 8.821 3.266 2.800) 9.815 37.770 ( 5.569 2.848 -6.895) 9.310 40.753 ( 1.521 -0.662 6.913) 7.109 40.983 ( -3.323 -1.508 -4.121) 5.504 58.605 ( -19.410 9.832 6.922) 22.833 58.815 ( -23.047 14.917 -3.385) 27.661 ======================= Grid point 908 (269/378) ======================= q-point: ( 0.41 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.874 ( 8.617 -1.984 6.562) 11.011 4.926 ( 8.920 0.707 4.885) 10.194 5.140 ( 0.284 -2.372 1.938) 3.076 5.332 ( -3.335 5.444 -3.398) 7.232 8.991 ( 3.343 -5.388 1.635) 6.548 9.068 ( 8.371 -1.758 -1.749) 8.731 9.793 ( 12.206 -5.805 6.381) 14.947 9.996 ( 9.122 -10.751 -0.563) 14.110 10.425 ( 1.846 -2.288 -0.446) 2.973 10.779 ( -5.100 15.113 -17.914) 23.985 14.096 ( 8.060 -5.962 -0.841) 10.061 14.199 ( 6.628 -1.790 -5.249) 8.642 14.543 ( 7.314 -2.404 5.453) 9.435 14.793 ( 3.325 5.442 -6.521) 9.121 16.631 ( 0.334 -8.410 5.285) 9.938 16.795 ( -0.843 -2.686 -2.776) 3.954 17.749 ( -0.152 7.088 8.598) 11.144 18.033 ( -8.733 6.577 -5.120) 12.072 37.715 ( 6.282 3.411 1.018) 7.220 37.852 ( 2.638 3.783 -5.340) 7.056 40.787 ( 1.881 -0.996 5.034) 5.466 40.923 ( -2.731 -1.369 -1.549) 3.425 58.300 ( -11.262 11.263 4.503) 16.552 58.437 ( -14.959 14.320 -2.091) 20.814 ======================= Grid point 909 (270/378) ======================= q-point: ( 0.47 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.011 ( 5.195 -2.499 4.873) 7.548 5.064 ( 3.119 -0.819 1.248) 3.458 5.130 ( 0.052 -1.860 3.522) 3.984 5.259 ( -3.522 4.699 -0.374) 5.884 9.015 ( 0.178 -5.098 0.513) 5.127 9.177 ( 2.747 1.760 -5.849) 6.697 9.967 ( 4.556 -7.886 3.113) 9.625 10.107 ( 2.379 -8.428 0.435) 8.768 10.471 ( 1.824 -4.935 0.528) 5.287 10.714 ( -1.480 10.571 -13.449) 17.170 14.207 ( 3.066 -3.228 -2.662) 5.187 14.277 ( 1.692 0.084 -4.995) 5.275 14.645 ( 2.728 -4.284 4.213) 6.599 14.834 ( 0.924 4.410 -3.295) 5.582 16.638 ( 0.231 -7.706 4.365) 8.860 16.781 ( -0.418 -2.392 -2.843) 3.739 17.773 ( 2.072 6.533 4.773) 8.352 17.895 ( -4.859 7.877 -1.205) 9.334 37.808 ( 2.817 2.980 -0.670) 4.155 37.877 ( 0.193 4.807 -3.785) 6.121 40.826 ( 1.982 -1.325 3.090) 3.903 40.874 ( -2.214 -1.151 0.778) 2.614 58.159 ( -3.178 11.812 2.509) 12.486 58.230 ( -5.682 14.290 -0.683) 15.393 ======================= Grid point 918 (271/378) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 558 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 0.000 12.026 23.050) 25.999 3.571 ( 0.000 2.986 28.104) 28.262 3.907 ( 0.000 4.349 -14.584) 15.218 4.481 ( 0.000 -1.929 -14.797) 14.923 6.370 ( 0.000 32.052 31.248) 44.763 7.120 ( 0.000 27.552 -4.841) 27.974 9.534 ( 0.000 -8.273 15.654) 17.706 9.749 ( 0.000 -3.065 6.034) 6.768 10.002 ( 0.000 -0.369 -6.011) 6.022 10.245 ( 0.000 -19.561 -18.659) 27.033 12.905 ( 0.000 0.271 11.937) 11.940 12.947 ( 0.000 -4.067 16.848) 17.332 13.385 ( 0.000 -2.201 -10.816) 11.038 13.757 ( 0.000 1.652 -21.658) 21.721 16.253 ( 0.000 5.803 16.633) 17.616 17.008 ( 0.000 13.266 -18.838) 23.040 18.769 ( 0.000 -11.903 17.813) 21.424 19.424 ( 0.000 -5.484 -14.556) 15.555 36.592 ( 0.000 1.785 5.643) 5.918 36.834 ( 0.000 0.400 -5.846) 5.859 40.748 ( 0.000 1.591 9.942) 10.069 41.320 ( 0.000 -5.460 -15.914) 16.825 61.352 ( 0.000 5.332 30.097) 30.566 62.946 ( 0.000 22.218 -50.500) 55.171 ======================= Grid point 919 (272/378) ======================= q-point: ( 0.06 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 20.705 11.312 22.093) 32.323 3.600 ( 4.721 3.627 25.932) 26.607 4.127 ( 20.425 3.604 -13.600) 24.802 4.466 ( -0.935 -1.615 -13.981) 14.105 6.409 ( 4.369 30.028 30.065) 42.717 7.122 ( 0.614 25.936 -4.166) 26.276 9.403 ( -7.914 -7.595 12.830) 16.879 9.840 ( -0.833 -5.003 -2.514) 5.661 10.079 ( 13.259 -7.605 -0.977) 15.317 10.392 ( 12.887 -9.865 -12.253) 20.335 12.687 ( -9.535 4.420 14.653) 18.032 13.140 ( 5.129 -3.592 6.928) 9.339 13.411 ( 5.837 -1.070 -8.954) 10.742 13.834 ( 6.652 -3.393 -17.089) 18.650 16.268 ( 1.474 4.483 15.869) 16.555 16.993 ( -1.445 12.576 -18.186) 22.158 18.711 ( -5.722 -11.030 18.188) 22.027 19.373 ( -5.102 -5.081 -14.420) 16.118 36.641 ( 4.874 1.954 5.686) 7.740 36.890 ( 5.532 0.355 -6.183) 8.304 40.744 ( -0.398 1.480 9.843) 9.961 41.300 ( -1.971 -5.254 -15.331) 16.326 61.223 ( -12.811 6.019 28.574) 31.888 62.696 ( -24.262 22.908 -45.305) 56.267 ======================= Grid point 920 (273/378) ======================= q-point: ( 0.12 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( 7.422 4.253 23.365) 24.881 3.974 ( 27.535 11.155 19.664) 35.627 4.444 ( 3.067 -2.222 -13.179) 13.713 4.654 ( 27.170 4.045 -11.889) 29.932 6.571 ( 12.831 23.769 26.478) 37.824 7.173 ( 5.408 20.711 -2.222) 21.521 9.272 ( -5.128 -7.234 11.110) 14.215 9.754 ( -5.857 -11.834 -10.674) 16.979 10.407 ( 15.958 -4.096 4.854) 17.175 10.705 ( 17.960 -1.663 -7.839) 19.667 12.588 ( 0.419 6.286 12.429) 13.934 13.147 ( -1.314 5.844 -8.004) 9.997 13.621 ( 12.613 -6.555 -0.164) 14.215 13.986 ( 8.263 -9.271 -11.202) 16.724 16.308 ( 2.492 1.025 13.879) 14.138 16.953 ( -2.451 10.534 -16.403) 19.648 18.556 ( -9.536 -8.489 18.958) 22.856 19.230 ( -9.032 -3.882 -14.084) 17.175 36.779 ( 8.830 2.439 5.744) 10.812 37.043 ( 9.517 0.408 -6.876) 11.748 40.733 ( -0.596 1.161 9.524) 9.613 41.245 ( -3.412 -4.730 -13.763) 14.948 60.866 ( -22.526 7.935 24.693) 34.353 62.052 ( -38.705 24.012 -33.723) 56.674 ======================= Grid point 921 (274/378) ======================= q-point: ( 0.18 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.808 ( 10.925 2.200 19.513) 22.471 4.352 ( 8.498 7.877 6.142) 13.115 4.636 ( 17.121 3.480 1.982) 17.583 5.165 ( 21.828 6.930 -11.540) 25.645 6.944 ( 24.941 13.618 20.799) 35.215 7.375 ( 15.740 11.053 0.488) 19.239 9.201 ( -1.970 -6.574 8.816) 11.172 9.635 ( -5.821 -13.818 -11.346) 18.803 10.629 ( 5.925 4.030 9.247) 11.698 11.067 ( 17.024 3.087 -10.185) 20.077 12.720 ( 12.483 1.361 7.497) 14.625 13.158 ( 3.359 8.234 -10.246) 13.567 13.859 ( 11.087 -6.605 1.112) 12.953 14.157 ( 9.167 -10.988 -7.848) 16.320 16.361 ( 2.698 -3.145 11.402) 12.132 16.899 ( -2.974 7.171 -13.881) 15.905 18.352 ( -10.471 -4.491 19.299) 22.411 19.026 ( -11.303 -1.929 -13.508) 17.718 36.981 ( 11.286 3.179 5.641) 13.012 37.253 ( 11.315 0.872 -7.347) 13.519 40.722 ( -0.488 0.673 8.955) 8.994 41.169 ( -4.103 -4.092 -11.585) 12.953 60.362 ( -27.424 10.701 19.913) 35.541 61.237 ( -41.991 24.243 -22.458) 53.435 ======================= Grid point 922 (275/378) ======================= q-point: ( 0.24 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.056 ( 13.833 0.129 15.094) 20.475 4.480 ( 6.321 2.667 0.828) 6.910 4.932 ( 11.165 9.201 9.668) 17.401 5.476 ( 9.554 10.612 -10.608) 17.788 7.525 ( 32.158 2.861 14.984) 35.592 7.789 ( 24.828 -0.376 2.484) 24.955 9.199 ( 1.821 -5.788 5.909) 8.470 9.535 ( -3.908 -13.315 -9.656) 16.906 10.664 ( -1.422 10.674 12.457) 16.466 11.320 ( 7.695 9.688 -17.170) 21.163 13.037 ( 18.058 -6.347 3.690) 19.494 13.302 ( 11.260 3.623 -7.331) 13.916 14.058 ( 9.178 -4.173 2.712) 10.440 14.354 ( 10.721 -7.785 -7.834) 15.392 16.410 ( 2.179 -6.229 9.154) 11.285 16.837 ( -3.246 2.670 -10.978) 11.755 18.159 ( -8.725 0.476 18.395) 20.364 18.793 ( -11.971 0.619 -12.380) 17.232 37.215 ( 12.061 4.075 5.211) 13.757 37.478 ( 11.118 1.847 -7.278) 13.416 40.716 ( -0.094 0.074 8.132) 8.133 41.087 ( -4.128 -3.508 -9.106) 10.595 59.812 ( -27.448 13.803 15.383) 34.359 60.434 ( -38.294 23.661 -14.524) 47.299 ======================= Grid point 923 (276/378) ======================= q-point: ( 0.29 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.339 ( 14.295 -1.801 10.926) 18.083 4.616 ( 7.320 0.561 1.771) 7.552 5.085 ( 4.842 8.540 10.065) 14.060 5.572 ( 1.014 11.464 -8.747) 14.456 8.151 ( 29.431 -5.615 10.052) 31.603 8.291 ( 24.228 -7.951 3.130) 25.691 9.277 ( 6.071 -5.696 3.107) 8.885 9.494 ( 0.174 -11.995 -6.393) 13.594 10.606 ( -3.838 12.707 12.364) 18.140 11.370 ( -2.113 15.987 -22.724) 27.865 13.388 ( 16.789 -11.175 2.674) 20.344 13.580 ( 15.704 -3.751 -5.567) 17.078 14.233 ( 8.557 -1.257 5.063) 10.022 14.573 ( 10.978 -2.209 -9.355) 14.592 16.446 ( 1.427 -7.136 7.471) 10.430 16.774 ( -2.981 -1.938 -8.095) 8.841 18.017 ( -5.482 5.265 15.934) 17.654 18.560 ( -11.307 3.431 -10.366) 15.719 37.448 ( 11.289 4.985 4.390) 13.098 37.683 ( 9.430 3.193 -6.675) 11.987 40.719 ( 0.468 -0.565 7.085) 7.123 41.009 ( -3.713 -3.056 -6.519) 8.101 59.300 ( -23.646 16.711 11.506) 31.157 59.740 ( -31.523 23.061 -9.512) 40.200 ======================= Grid point 924 (277/378) ======================= q-point: ( 0.35 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.606 ( 12.297 -3.288 7.518) 14.783 4.765 ( 7.623 -1.016 2.527) 8.095 5.141 ( 1.182 5.904 9.352) 11.122 5.544 ( -3.248 9.820 -6.399) 12.163 8.636 ( 18.204 -10.432 5.487) 21.687 8.703 ( 17.133 -9.029 2.485) 19.526 9.433 ( 9.402 -7.304 1.841) 12.047 9.559 ( 6.371 -12.975 -2.456) 14.662 10.531 ( -3.380 11.313 9.928) 15.427 11.267 ( -7.385 18.657 -24.081) 31.345 13.696 ( 14.247 -11.635 2.318) 18.540 13.880 ( 13.879 -7.737 -6.028) 16.995 14.394 ( 7.421 0.142 6.560) 9.905 14.768 ( 8.081 1.725 -10.055) 13.015 16.469 ( 0.944 -6.403 6.419) 9.115 16.726 ( -1.641 -4.756 -6.067) 7.882 17.941 ( -2.247 8.551 12.488) 15.302 18.352 ( -9.633 6.086 -7.399) 13.586 37.654 ( 9.274 5.729 3.232) 11.370 37.845 ( 6.792 4.671 -5.682) 10.012 40.734 ( 1.039 -1.179 5.846) 6.054 40.941 ( -3.114 -2.733 -3.963) 5.733 58.891 ( -17.433 19.087 8.228) 27.128 59.193 ( -23.588 22.888 -6.133) 33.434 ======================= Grid point 925 (278/378) ======================= q-point: ( 0.41 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.813 ( 8.395 -4.117 5.607) 10.903 4.914 ( 7.064 -2.821 1.217) 7.704 5.144 ( -0.581 3.777 9.136) 9.903 5.460 ( -4.924 7.569 -3.794) 9.794 8.857 ( 5.703 -8.237 3.888) 10.747 8.987 ( 11.230 -7.742 0.058) 13.640 9.630 ( 9.632 -10.574 1.719) 14.406 9.710 ( 7.512 -16.659 -0.293) 18.277 10.479 ( -1.743 8.132 6.726) 10.696 11.109 ( -7.842 18.360 -22.414) 30.017 13.948 ( 11.028 -9.439 1.222) 14.567 14.112 ( 9.116 -7.257 -5.833) 13.031 14.516 ( 4.852 -0.722 5.957) 7.717 14.878 ( 2.939 2.610 -9.183) 9.989 16.487 ( 0.999 -5.537 5.741) 8.038 16.709 ( -0.307 -4.906 -5.341) 7.259 17.923 ( 0.243 9.998 8.936) 13.412 18.183 ( -7.230 8.226 -3.825) 11.601 37.810 ( 6.310 6.118 1.914) 8.995 37.950 ( 3.757 6.049 -4.497) 8.422 40.760 ( 1.472 -1.724 4.428) 4.975 40.885 ( -2.527 -2.472 -1.567) 3.867 58.617 ( -10.055 20.802 5.436) 23.735 58.809 ( -15.072 23.010 -3.516) 27.730 ======================= Grid point 926 (279/378) ======================= q-point: ( 0.47 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.944 ( 4.909 -4.407 4.471) 7.969 5.002 ( 0.426 -5.023 0.681) 5.087 5.146 ( 1.373 3.339 7.690) 8.495 5.368 ( -3.541 6.354 -1.126) 7.361 8.917 ( 1.161 -5.141 4.681) 7.049 9.139 ( 3.985 -7.195 -1.843) 8.429 9.777 ( 4.428 -11.593 -0.365) 12.415 9.814 ( 2.466 -19.333 1.190) 19.526 10.460 ( -0.399 5.284 4.544) 6.980 10.989 ( -3.481 17.045 -20.102) 26.585 14.116 ( 5.171 -6.574 -0.717) 8.395 14.226 ( 2.372 -6.527 -3.059) 7.588 14.586 ( 2.047 -1.462 2.983) 3.902 14.898 ( -0.141 1.639 -7.373) 7.554 16.505 ( 0.586 -5.096 5.197) 7.302 16.707 ( 0.019 -4.048 -5.262) 6.638 17.943 ( 1.330 10.112 5.948) 11.807 18.072 ( -3.626 9.676 -0.571) 10.349 37.897 ( 2.379 6.060 0.839) 6.564 37.996 ( 1.038 7.080 -3.501) 7.966 40.790 ( 1.449 -2.238 2.897) 3.938 40.842 ( -1.757 -2.131 0.489) 2.804 58.492 ( -2.851 21.750 3.312) 22.185 58.602 ( -5.599 23.123 -1.528) 23.840 ======================= Grid point 935 (280/378) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 0.000 13.730 18.316) 22.891 3.700 ( 0.000 9.857 21.470) 23.624 3.995 ( 0.000 4.447 -11.066) 11.926 4.449 ( 0.000 -0.988 -13.940) 13.975 7.009 ( 0.000 32.335 28.259) 42.944 7.665 ( 0.000 27.126 -3.546) 27.357 9.441 ( 0.000 -1.123 10.859) 10.917 9.688 ( 0.000 -3.052 7.149) 7.773 9.929 ( 0.000 -11.498 -13.386) 17.646 9.988 ( 0.000 -1.071 -7.079) 7.160 12.807 ( 0.000 -10.309 19.997) 22.498 12.912 ( 0.000 0.432 10.478) 10.487 13.337 ( 0.000 -2.652 -9.663) 10.021 13.695 ( 0.000 -7.897 -21.346) 22.760 16.388 ( 0.000 7.607 20.738) 22.089 17.265 ( 0.000 12.645 -19.824) 23.513 18.544 ( 0.000 -10.880 17.716) 20.790 19.277 ( 0.000 -9.198 -17.592) 19.852 36.631 ( 0.000 2.185 4.916) 5.380 36.842 ( 0.000 0.341 -5.070) 5.081 40.771 ( 0.000 0.782 4.929) 4.991 41.201 ( 0.000 -6.520 -14.087) 15.523 61.539 ( 0.000 13.301 28.760) 31.687 63.242 ( 0.000 7.652 -56.153) 56.672 ======================= Grid point 936 (281/378) ======================= q-point: ( 0.06 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( 18.654 13.262 17.527) 28.828 3.726 ( 5.455 8.909 20.258) 22.793 4.205 ( 19.565 4.108 -10.607) 22.631 4.439 ( -0.506 -0.920 -13.233) 13.275 7.010 ( 0.441 30.491 27.297) 40.927 7.637 ( -2.496 25.688 -3.048) 25.988 9.319 ( -7.412 -0.943 9.171) 11.829 9.704 ( -8.196 -6.886 -7.971) 13.346 9.956 ( 17.073 -4.289 4.882) 18.268 10.275 ( 18.450 -3.546 -8.713) 20.710 12.708 ( -5.292 -3.434 17.419) 18.526 13.047 ( 8.758 -4.577 11.535) 15.189 13.379 ( 4.210 -2.069 -11.309) 12.243 13.710 ( 1.727 -9.446 -18.877) 21.179 16.378 ( -0.905 6.504 20.181) 21.222 17.237 ( -2.777 12.061 -19.615) 23.193 18.502 ( -4.074 -10.111 18.043) 21.081 19.235 ( -4.186 -8.707 -17.215) 19.741 36.684 ( 5.233 2.378 4.964) 7.595 36.898 ( 5.540 0.364 -5.187) 7.598 40.765 ( -0.557 0.730 4.989) 5.073 41.185 ( -1.569 -6.308 -13.627) 15.098 61.421 ( -11.634 13.815 27.399) 32.816 63.015 ( -22.109 9.317 -51.665) 56.964 ======================= Grid point 937 (282/378) ======================= q-point: ( 0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( 4.776 8.396 18.340) 20.729 4.202 ( 30.802 11.758 16.090) 36.687 4.408 ( 0.731 -1.169 -12.374) 12.451 4.733 ( 29.072 3.785 -9.540) 30.831 7.050 ( 4.415 24.585 24.336) 34.873 7.589 ( -1.725 20.918 -1.488) 21.041 9.200 ( -4.548 -0.411 7.264) 8.580 9.544 ( -7.358 -7.319 -9.505) 14.073 10.348 ( 20.313 -2.583 7.242) 21.719 10.678 ( 21.679 -1.405 -7.974) 23.141 12.642 ( -0.914 -1.718 15.949) 16.068 13.201 ( 6.051 0.075 4.009) 7.259 13.505 ( 8.534 -5.012 -11.362) 15.068 13.780 ( 5.780 -11.474 -11.943) 17.542 16.355 ( -1.311 3.646 18.535) 18.936 17.158 ( -5.090 10.255 -18.876) 22.077 18.395 ( -6.314 -7.792 18.649) 21.175 19.119 ( -7.246 -7.250 -16.172) 19.147 36.832 ( 9.505 2.938 5.056) 11.160 37.053 ( 9.798 0.552 -5.407) 11.204 40.750 ( -0.913 0.565 5.125) 5.236 41.142 ( -2.774 -5.758 -12.353) 13.908 61.097 ( -20.452 15.218 23.873) 34.926 62.421 ( -36.249 13.100 -40.961) 56.244 ======================= Grid point 938 (283/378) ======================= q-point: ( 0.18 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( 8.285 5.424 15.557) 18.441 4.415 ( 2.107 -0.222 -8.054) 8.328 4.801 ( 25.777 11.995 13.600) 31.517 5.300 ( 25.902 6.441 -9.089) 28.196 7.216 ( 12.901 13.817 19.234) 26.968 7.601 ( 3.858 11.520 1.093) 12.198 9.139 ( -1.488 -0.260 4.839) 5.069 9.418 ( -5.297 -6.234 -8.887) 12.079 10.697 ( 13.665 2.189 9.830) 16.975 11.108 ( 20.976 1.203 -9.245) 22.955 12.687 ( 5.598 -5.312 12.666) 14.832 13.283 ( 2.808 4.333 -7.588) 9.178 13.706 ( 11.329 -9.414 -4.512) 15.405 13.953 ( 11.622 -8.939 -6.975) 16.237 16.332 ( -0.880 0.265 15.889) 15.915 17.040 ( -6.706 7.326 -17.244) 19.900 18.269 ( -6.009 -4.072 18.595) 19.961 18.958 ( -8.780 -4.909 -14.542) 17.682 37.050 ( 12.189 3.793 5.063) 13.733 37.273 ( 12.075 1.114 -5.475) 13.305 40.731 ( -0.948 0.266 5.226) 5.318 41.079 ( -3.431 -5.056 -10.504) 12.152 60.640 ( -24.867 17.196 19.410) 35.928 61.646 ( -40.415 16.922 -29.218) 52.663 ======================= Grid point 939 (284/378) ======================= q-point: ( 0.24 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.079 ( 11.076 2.047 12.381) 16.738 4.480 ( 4.416 -1.767 -5.687) 7.414 5.186 ( 12.821 15.598 14.764) 25.013 5.693 ( 12.935 11.296 -8.682) 19.243 7.561 ( 21.203 0.483 13.189) 24.975 7.768 ( 13.066 -1.766 3.679) 13.689 9.141 ( 1.646 -0.996 2.280) 2.983 9.340 ( -2.434 -4.347 -7.639) 9.120 10.869 ( 3.965 9.324 13.592) 16.953 11.467 ( 14.175 5.465 -13.981) 20.647 12.862 ( 11.723 -11.497 8.720) 18.591 13.345 ( 4.366 0.203 -11.169) 11.994 13.942 ( 12.263 -7.472 1.581) 14.447 14.223 ( 15.005 -5.443 -7.286) 17.546 16.326 ( 0.379 -2.133 12.445) 12.632 16.899 ( -7.280 4.008 -14.390) 16.618 18.169 ( -3.978 0.315 17.129) 17.587 18.780 ( -8.988 -1.905 -12.263) 15.323 37.303 ( 13.061 4.823 4.855) 14.745 37.518 ( 12.332 2.132 -5.230) 13.564 40.715 ( -0.660 -0.174 5.178) 5.223 41.009 ( -3.556 -4.381 -8.319) 10.052 60.141 ( -24.825 19.411 15.089) 34.939 60.867 ( -37.410 19.836 -19.635) 46.675 ======================= Grid point 940 (285/378) ======================= q-point: ( 0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.310 ( 11.943 -1.157 9.345) 15.209 4.584 ( 5.881 -3.168 -2.956) 7.305 5.331 ( 2.851 15.929 14.901) 21.998 5.817 ( 0.510 13.561 -7.264) 15.393 8.005 ( 22.190 -10.053 8.639) 25.847 8.090 ( 18.254 -12.355 4.790) 22.556 9.199 ( 3.905 -3.798 0.465) 5.467 9.328 ( 1.512 -1.769 -6.268) 6.686 10.878 ( -2.345 14.212 15.277) 20.997 11.640 ( 3.085 11.518 -19.850) 23.156 13.131 ( 14.934 -14.967 6.210) 22.036 13.480 ( 9.348 -6.700 -9.311) 14.798 14.178 ( 11.107 -4.342 4.443) 12.726 14.519 ( 14.219 -3.471 -9.076) 17.222 16.349 ( 1.896 -2.552 8.736) 9.296 16.763 ( -6.098 1.382 -10.686) 12.381 18.113 ( -1.704 4.257 14.482) 15.191 18.608 ( -8.268 1.400 -9.319) 12.536 37.556 ( 12.216 5.869 4.370) 14.240 37.750 ( 10.898 3.498 -4.668) 12.361 40.706 ( -0.146 -0.728 4.901) 4.957 40.941 ( -3.285 -3.829 -5.988) 7.830 59.680 ( -21.293 21.575 11.394) 32.384 60.188 ( -30.792 21.983 -12.750) 39.924 ======================= Grid point 941 (286/378) ======================= q-point: ( 0.35 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.538 ( 10.689 -3.632 6.843) 13.201 4.707 ( 6.357 -4.350 -0.858) 7.750 5.333 ( -1.954 13.178 14.025) 19.344 5.756 ( -5.743 11.831 -5.070) 14.094 8.394 ( 16.421 -15.292 6.323) 23.312 8.445 ( 16.530 -17.503 4.864) 24.561 9.281 ( 4.166 -8.452 0.762) 9.453 9.406 ( 6.065 0.067 -6.163) 8.647 10.804 ( -4.467 15.938 13.921) 21.628 11.608 ( -5.372 16.017 -22.995) 28.534 13.436 ( 15.409 -15.041 4.843) 22.071 13.699 ( 11.958 -11.019 -6.868) 17.651 14.368 ( 7.940 -2.921 4.697) 9.677 14.758 ( 9.247 -2.921 -10.915) 14.601 16.395 ( 2.493 -1.116 5.906) 6.507 16.672 ( -2.848 -0.075 -7.334) 7.868 18.097 ( -0.002 7.104 11.462) 13.484 18.456 ( -6.975 4.539 -5.902) 10.203 37.777 ( 9.944 6.752 3.642) 12.559 37.941 ( 8.258 4.984 -3.882) 10.397 40.709 ( 0.439 -1.340 4.351) 4.573 40.880 ( -2.795 -3.411 -3.674) 5.740 59.312 ( -15.554 23.467 8.314) 29.355 59.655 ( -22.852 23.667 -7.877) 33.829 ======================= Grid point 942 (287/378) ======================= q-point: ( 0.41 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.722 ( 7.807 -4.982 5.290) 10.665 4.828 ( 5.448 -5.358 0.012) 7.641 5.280 ( -2.733 9.725 12.719) 16.243 5.621 ( -7.198 8.940 -2.666) 11.783 8.650 ( 9.448 -14.770 6.106) 18.566 8.714 ( 10.270 -20.464 4.756) 23.385 9.364 ( 4.028 -12.222 2.356) 13.082 9.542 ( 6.824 -1.140 -7.204) 9.988 10.721 ( -3.558 15.991 10.445) 19.428 11.468 ( -7.715 18.182 -23.134) 30.418 13.723 ( 13.132 -13.921 3.815) 19.514 13.917 ( 8.981 -12.752 -3.968) 16.094 14.493 ( 4.936 -2.113 1.902) 5.696 14.873 ( 2.434 -3.366 -11.816) 12.524 16.439 ( 1.869 0.673 4.948) 5.332 16.650 ( 0.335 -0.321 -5.708) 5.727 18.109 ( 1.150 8.796 8.586) 12.346 18.334 ( -5.316 7.025 -2.417) 9.135 37.942 ( 6.573 7.309 2.814) 10.225 38.073 ( 4.965 6.316 -3.030) 8.586 40.723 ( 0.929 -1.943 3.513) 4.120 40.831 ( -2.226 -3.067 -1.538) 4.090 59.071 ( -8.779 24.909 5.671) 27.013 59.285 ( -14.532 24.910 -4.271) 29.153 ======================= Grid point 943 (288/378) ======================= q-point: ( 0.47 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.846 ( 4.645 -5.389 4.030) 8.177 4.893 ( 0.435 -5.790 1.474) 5.991 5.248 ( -0.307 7.099 10.359) 12.561 5.500 ( -4.068 7.144 -0.380) 8.230 8.772 ( 2.990 -12.623 6.613) 14.561 8.849 ( 3.375 -22.166 5.035) 22.980 9.426 ( 1.812 -14.792 3.319) 15.268 9.646 ( 3.011 -2.540 -7.865) 8.797 10.673 ( -1.180 15.856 7.022) 17.381 11.345 ( -3.734 19.020 -22.179) 29.456 13.936 ( 7.728 -12.684 2.207) 15.016 14.017 ( 0.693 -14.042 0.658) 14.075 14.571 ( 2.612 -1.032 -3.070) 4.160 14.877 ( -0.936 -4.140 -11.173) 11.952 16.466 ( 0.781 1.438 4.966) 5.228 16.664 ( 0.579 0.171 -5.436) 5.469 18.138 ( 1.351 9.506 6.204) 11.431 18.251 ( -2.743 8.443 0.438) 8.888 38.032 ( 2.339 7.497 2.186) 8.152 38.138 ( 1.601 7.176 -2.400) 7.734 40.743 ( 0.921 -2.491 2.489) 3.640 40.794 ( -1.323 -2.697 0.175) 3.009 58.963 ( -2.344 25.754 3.575) 26.106 59.084 ( -5.451 25.532 -1.747) 26.166 ======================= Grid point 952 (289/378) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 558 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( 0.000 12.389 13.367) 18.226 3.923 ( 0.000 12.210 14.410) 18.888 4.068 ( 0.000 2.847 -7.023) 7.579 4.443 ( 0.000 0.177 -9.887) 9.888 7.582 ( 0.000 26.200 23.400) 35.129 8.112 ( 0.000 17.673 -2.328) 17.826 9.472 ( 0.000 3.686 9.511) 10.201 9.635 ( 0.000 -2.337 7.826) 8.167 9.836 ( 0.000 1.767 -9.675) 9.835 9.963 ( 0.000 -1.382 -7.713) 7.836 12.569 ( 0.000 -13.337 22.021) 25.745 12.922 ( 0.000 0.528 8.898) 8.913 13.287 ( 0.000 -2.440 -8.385) 8.733 13.478 ( 0.000 -13.447 -19.747) 23.891 16.523 ( 0.000 5.742 25.173) 25.820 17.483 ( 0.000 9.793 -18.850) 21.242 18.358 ( 0.000 -8.245 14.282) 16.491 19.094 ( 0.000 -8.885 -19.641) 21.557 36.673 ( 0.000 2.067 4.055) 4.551 36.846 ( 0.000 0.123 -4.155) 4.157 40.781 ( 0.000 0.447 0.673) 0.808 41.076 ( 0.000 -6.175 -12.269) 13.736 61.847 ( 0.000 18.014 19.220) 26.342 63.244 ( 0.000 -6.832 -49.534) 50.003 ======================= Grid point 953 (290/378) ======================= q-point: ( 0.06 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.858 ( 18.824 11.576 12.651) 25.464 3.923 ( 2.220 10.865 13.598) 17.546 4.275 ( 19.199 2.890 -6.595) 20.505 4.433 ( -0.526 0.147 -9.407) 9.423 7.552 ( -2.688 24.941 22.813) 33.907 8.061 ( -4.846 16.848 -1.897) 17.633 9.353 ( -6.891 4.042 8.440) 11.621 9.644 ( -6.496 0.677 -5.033) 8.246 9.911 ( 16.215 -0.232 4.586) 16.852 10.221 ( 18.631 -2.401 -8.364) 20.563 12.546 ( -1.808 -11.765 21.272) 24.376 12.999 ( 7.307 -0.864 9.150) 11.741 13.333 ( 3.927 -2.879 -10.675) 11.733 13.487 ( 1.566 -12.339 -17.602) 21.553 16.498 ( -2.395 5.311 24.532) 25.214 17.447 ( -3.612 9.527 -19.204) 21.739 18.329 ( -2.823 -7.735 14.819) 16.953 19.060 ( -3.377 -8.608 -19.022) 21.150 36.729 ( 5.591 2.235 4.119) 7.295 36.903 ( 5.649 0.187 -4.123) 6.996 40.775 ( -0.619 0.431 0.830) 1.121 41.064 ( -1.200 -6.002 -11.895) 13.378 61.736 ( -10.962 18.172 18.398) 28.086 63.054 ( -18.630 -4.836 -46.254) 50.099 ======================= Grid point 954 (291/378) ======================= q-point: ( 0.12 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( 2.132 9.614 12.765) 16.123 4.352 ( 12.736 1.168 0.013) 12.789 4.457 ( 17.763 8.214 2.848) 19.776 4.793 ( 30.019 2.298 -6.552) 30.811 7.493 ( -2.772 20.624 21.078) 29.619 7.937 ( -7.213 14.141 -0.414) 15.880 9.238 ( -4.742 3.963 7.264) 9.537 9.521 ( -5.365 4.601 -7.362) 10.206 10.298 ( 21.172 -2.618 7.298) 22.547 10.640 ( 23.047 -2.631 -8.528) 24.715 12.517 ( -0.831 -10.077 19.960) 22.375 13.186 ( 10.631 -1.329 7.857) 13.286 13.388 ( 1.479 -8.255 -17.742) 19.624 13.592 ( 9.547 -6.203 -9.864) 15.064 16.436 ( -3.662 4.183 22.564) 23.239 17.342 ( -6.914 8.591 -19.675) 22.554 18.259 ( -3.777 -6.179 15.860) 17.436 18.969 ( -5.564 -7.648 -17.320) 19.734 36.888 ( 10.182 2.721 4.268) 11.371 37.063 ( 10.155 0.428 -3.990) 10.919 40.758 ( -1.065 0.366 1.248) 1.681 41.030 ( -2.168 -5.541 -10.836) 12.362 61.430 ( -19.273 18.611 16.264) 31.342 62.547 ( -31.303 0.081 -38.054) 49.275 ======================= Grid point 955 (292/378) ======================= q-point: ( 0.18 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.005 ( 4.981 6.695 11.164) 13.938 4.391 ( 1.112 -1.842 -6.852) 7.182 5.032 ( 28.606 10.853 11.003) 32.514 5.402 ( 29.609 3.991 -6.763) 30.633 7.465 ( 0.569 11.658 18.049) 21.494 7.797 ( -6.164 8.339 2.150) 10.590 9.166 ( -2.505 2.905 5.860) 7.004 9.437 ( -3.074 7.359 -8.365) 11.558 10.701 ( 18.486 -1.770 9.431) 20.828 11.106 ( 23.206 -1.633 -9.450) 25.109 12.527 ( 2.226 -10.044 17.616) 20.400 13.308 ( 0.241 -2.794 -12.136) 12.456 13.513 ( 12.862 -8.369 -0.099) 15.346 13.836 ( 14.323 -3.490 -8.344) 16.940 16.366 ( -3.051 2.821 19.249) 19.692 17.180 ( -9.115 7.058 -18.982) 22.209 18.194 ( -2.558 -3.721 16.127) 16.747 18.849 ( -6.273 -5.823 -14.816) 17.110 37.122 ( 13.094 3.468 4.392) 14.240 37.293 ( 12.800 0.932 -3.694) 13.355 40.735 ( -1.223 0.215 1.797) 2.184 40.981 ( -2.761 -4.931 -9.251) 10.840 61.000 ( -23.398 19.262 13.562) 33.203 61.869 ( -35.855 5.812 -28.304) 46.049 ======================= Grid point 956 (293/378) ======================= q-point: ( 0.24 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( 7.586 3.236 9.272) 12.409 4.433 ( 3.160 -2.848 -4.891) 6.482 5.488 ( 16.268 14.673 12.471) 25.209 5.893 ( 18.225 8.938 -7.083) 21.499 7.538 ( 7.058 -2.739 13.904) 15.832 7.732 ( 0.804 -1.556 4.692) 5.008 9.139 ( -0.244 1.625 4.719) 4.997 9.402 ( -0.330 9.076 -9.214) 12.937 10.996 ( 10.752 3.355 12.668) 16.951 11.526 ( 18.348 0.478 -11.948) 21.901 12.621 ( 7.703 -12.149 13.775) 19.917 13.295 ( -0.283 -5.137 -15.442) 16.277 13.800 ( 14.866 -6.442 3.862) 16.656 14.139 ( 15.825 -3.360 -8.968) 18.497 16.327 ( -0.642 1.830 14.854) 14.980 16.995 ( -9.218 5.711 -16.535) 19.774 18.164 ( -0.480 -0.910 15.026) 15.061 18.727 ( -5.922 -3.206 -11.722) 13.519 37.394 ( 14.060 4.369 4.383) 15.362 37.556 ( 13.407 1.732 -3.210) 13.894 40.712 ( -1.070 -0.060 2.313) 2.549 40.923 ( -2.954 -4.311 -7.330) 9.002 60.531 ( -23.264 20.053 10.960) 32.611 61.170 ( -33.830 10.906 -19.577) 40.579 ======================= Grid point 957 (294/378) ======================= q-point: ( 0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.297 ( 8.917 -0.132 7.441) 11.615 4.513 ( 4.753 -3.901 -2.698) 6.715 5.666 ( 2.370 17.838 14.120) 22.874 6.083 ( 1.192 13.479 -5.604) 14.646 7.739 ( 12.713 -16.552 10.267) 23.259 7.851 ( 10.464 -12.190 4.903) 16.797 9.154 ( 1.700 0.879 4.337) 4.740 9.425 ( 2.576 9.295 -9.665) 13.654 11.123 ( 2.451 10.484 14.899) 18.382 11.799 ( 8.571 4.529 -15.891) 18.614 12.834 ( 13.452 -14.666 9.738) 22.155 13.329 ( 4.251 -8.253 -12.227) 15.351 14.075 ( 12.471 -5.791 3.391) 14.162 14.439 ( 13.812 -4.585 -10.555) 17.978 16.345 ( 2.428 1.699 10.176) 10.598 16.831 ( -6.968 5.278 -12.786) 15.488 18.172 ( 1.197 1.742 13.033) 13.204 18.618 ( -5.091 -0.181 -8.252) 9.698 37.666 ( 13.153 5.291 4.182) 14.782 37.812 ( 12.177 2.759 -2.573) 12.748 40.694 ( -0.668 -0.468 2.651) 2.774 40.866 ( -2.805 -3.773 -5.259) 7.054 60.100 ( -19.812 20.909 8.740) 30.101 60.553 ( -28.051 14.950 -12.779) 34.259 ======================= Grid point 958 (295/378) ======================= q-point: ( 0.35 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.473 ( 8.637 -2.798 5.982) 10.873 4.617 ( 5.587 -4.606 -0.805) 7.285 5.626 ( -5.239 16.472 14.403) 22.499 5.993 ( -8.572 12.377 -2.572) 15.273 8.008 ( 13.444 -22.812 7.648) 27.562 8.085 ( 11.745 -19.394 4.159) 23.051 9.204 ( 3.209 1.227 4.824) 5.923 9.499 ( 4.624 7.740 -9.415) 13.035 11.120 ( -2.036 16.045 14.075) 21.441 11.865 ( -1.250 9.869 -19.351) 21.758 13.128 ( 15.396 -16.037 7.130) 23.346 13.464 ( 8.767 -12.518 -7.493) 17.021 14.285 ( 8.729 -5.206 1.178) 10.231 14.662 ( 8.205 -6.435 -12.680) 16.417 16.415 ( 4.290 2.674 6.445) 8.191 16.729 ( -3.155 5.480 -8.687) 10.745 18.206 ( 2.110 4.010 10.721) 11.639 18.526 ( -4.227 2.686 -4.685) 6.858 37.904 ( 10.662 6.092 3.805) 12.856 38.029 ( 9.517 3.859 -1.863) 10.437 40.686 ( -0.135 -0.979 2.706) 2.881 40.814 ( -2.418 -3.337 -3.219) 5.230 59.760 ( -14.310 21.727 6.821) 26.896 60.068 ( -20.803 18.004 -7.724) 28.575 ======================= Grid point 959 (296/378) ======================= q-point: ( 0.41 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.630 ( 7.024 -4.284 5.096) 9.678 4.725 ( 4.967 -4.911 0.423) 6.998 5.503 ( -6.189 12.836 13.625) 19.716 5.799 ( -9.997 9.118 0.103) 13.531 8.238 ( 9.203 -25.069 5.997) 27.370 8.282 ( 7.732 -23.051 4.083) 24.654 9.275 ( 3.707 2.455 5.764) 7.280 9.593 ( 4.376 4.867 -8.141) 10.446 11.071 ( -2.357 19.500 10.680) 22.358 11.789 ( -5.281 14.245 -20.648) 25.635 13.414 ( 12.861 -17.338 6.099) 22.432 13.637 ( 7.532 -15.393 -3.320) 17.456 14.428 ( 6.001 -4.332 -3.143) 8.041 14.757 ( 1.543 -7.878 -14.098) 16.224 16.498 ( 3.748 4.728 4.511) 7.534 16.702 ( 0.035 5.094 -5.673) 7.624 18.252 ( 2.450 5.754 8.338) 10.423 18.449 ( -3.491 4.829 -1.305) 6.100 38.081 ( 6.964 6.652 3.348) 10.195 38.183 ( 5.945 4.821 -1.195) 7.747 40.689 ( 0.375 -1.525 2.422) 2.886 40.771 ( -1.883 -2.971 -1.390) 3.782 59.539 ( -7.921 22.381 4.979) 24.258 59.731 ( -13.234 20.113 -3.932) 24.395 ======================= Grid point 960 (297/378) ======================= q-point: ( 0.47 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1022 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.746 ( 4.350 -4.696 4.033) 7.566 4.788 ( 0.745 -4.843 1.987) 5.288 5.415 ( -2.179 9.844 12.031) 15.697 5.638 ( -5.039 6.946 2.157) 8.848 8.361 ( 3.158 -25.708 5.183) 26.415 8.385 ( 2.572 -24.691 4.306) 25.196 9.334 ( 1.808 3.631 6.431) 7.603 9.656 ( 1.706 2.294 -6.485) 7.087 11.039 ( -0.752 21.184 7.169) 22.376 11.699 ( -2.841 16.753 -20.576) 26.685 13.611 ( 6.109 -19.624 6.282) 21.492 13.730 ( 1.711 -15.414 -0.703) 15.524 14.526 ( 3.395 -3.474 -7.970) 9.334 14.746 ( -1.520 -8.575 -13.827) 16.341 16.552 ( 1.438 6.627 3.997) 7.871 16.712 ( 0.517 4.178 -4.438) 6.117 18.298 ( 1.929 6.891 6.123) 9.418 18.390 ( -2.247 5.779 1.469) 6.372 38.175 ( 2.434 6.917 3.002) 7.923 38.262 ( 1.996 5.406 -0.751) 5.811 40.699 ( 0.504 -1.996 1.873) 2.783 40.741 ( -0.995 -2.640 -0.021) 2.821 59.444 ( -1.969 22.774 3.260) 23.090 59.547 ( -5.068 21.183 -1.276) 21.818 ======================= Grid point 969 (298/378) ======================= q-point: ( 0.00 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.850 ( 0.000 8.411 8.854) 12.212 4.098 ( 0.000 0.210 -3.036) 3.043 4.138 ( 0.000 9.097 8.484) 12.439 4.443 ( 0.000 -0.471 -4.905) 4.928 8.008 ( 0.000 17.388 17.518) 24.683 8.327 ( 0.000 4.719 0.920) 4.807 9.562 ( 0.000 4.699 11.532) 12.453 9.600 ( 0.000 -1.229 8.083) 8.176 9.937 ( 0.000 6.344 -9.305) 11.262 9.939 ( 0.000 -0.985 -7.940) 8.000 12.334 ( 0.000 -9.684 22.750) 24.726 12.931 ( 0.000 0.405 7.624) 7.635 13.228 ( 0.000 -10.817 -18.303) 21.260 13.247 ( 0.000 -1.504 -7.331) 7.484 16.598 ( 0.000 2.100 29.017) 29.093 17.643 ( 0.000 6.568 -19.470) 20.548 18.223 ( 0.000 -5.680 12.373) 13.615 18.959 ( 0.000 -4.722 -20.953) 21.478 36.707 ( 0.000 1.330 3.276) 3.536 36.847 ( 0.000 -0.065 -3.336) 3.337 40.793 ( 0.000 0.780 -2.515) 2.633 40.971 ( 0.000 -4.331 -10.612) 11.462 62.221 ( 0.000 20.220 3.787) 20.572 63.012 ( 0.000 -16.098 -34.912) 38.444 ======================= Grid point 970 (299/378) ======================= q-point: ( 0.06 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.043 ( 17.762 7.152 8.382) 20.902 4.115 ( 0.111 7.965 7.157) 10.709 4.312 ( 18.766 0.972 -2.315) 18.933 4.433 ( -0.300 -0.327 -4.488) 4.510 7.959 ( -4.762 16.524 17.635) 24.632 8.271 ( -5.414 5.025 1.257) 7.493 9.455 ( -6.344 5.602 10.224) 13.273 9.667 ( 1.526 0.184 1.858) 2.411 9.963 ( 9.104 5.255 -2.345) 10.770 10.173 ( 16.903 -2.736 -8.026) 18.911 12.326 ( -0.624 -9.379 22.324) 24.222 12.983 ( 4.981 -1.358 5.939) 7.869 13.225 ( 0.721 -7.468 -15.726) 17.424 13.332 ( 7.369 -2.762 -8.386) 11.500 16.571 ( -2.626 2.203 28.182) 28.389 17.603 ( -4.099 6.295 -19.933) 21.302 18.202 ( -1.914 -5.215 12.844) 13.994 18.926 ( -3.132 -4.761 -20.157) 20.947 36.766 ( 5.854 1.428 3.359) 6.899 36.905 ( 5.775 -0.014 -3.219) 6.612 40.786 ( -0.649 0.762 -2.303) 2.511 40.962 ( -0.927 -4.219 -10.290) 11.160 62.108 ( -11.164 19.812 3.762) 23.050 62.858 ( -15.091 -14.381 -32.885) 38.936 ======================= Grid point 971 (300/378) ======================= q-point: ( 0.12 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 0.221 7.558 7.505) 10.653 4.341 ( 2.314 -1.459 -2.052) 3.419 4.608 ( 26.144 6.052 5.551) 27.403 4.820 ( 30.406 0.483 -3.705) 30.634 7.830 ( -7.995 13.481 17.825) 23.736 8.125 ( -9.114 5.412 2.254) 10.837 9.336 ( -5.451 5.250 10.127) 12.643 9.658 ( -1.527 7.360 -6.800) 10.136 10.252 ( 18.335 -1.754 5.500) 19.222 10.576 ( 22.962 -3.663 -8.737) 24.839 12.321 ( 0.420 -8.439 21.348) 22.959 13.106 ( 6.217 -6.910 -4.843) 10.482 13.267 ( 4.359 -2.240 -5.981) 7.733 13.527 ( 12.048 -1.599 -8.166) 14.642 16.502 ( -4.109 2.401 25.621) 26.059 17.483 ( -7.858 5.626 -20.636) 22.787 18.158 ( -2.158 -4.071 13.778) 14.528 18.845 ( -4.710 -4.623 -17.972) 19.145 36.932 ( 10.685 1.714 3.560) 11.392 37.068 ( 10.450 0.146 -2.873) 10.838 40.768 ( -1.148 0.704 -1.718) 2.183 40.936 ( -1.705 -3.918 -9.367) 10.295 61.797 ( -19.585 18.730 3.734) 27.356 62.443 ( -25.843 -9.974 -27.662) 39.147 ======================= Grid point 972 (301/378) ======================= q-point: ( 0.18 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( 2.276 5.860 6.699) 9.187 4.348 ( 0.378 -2.598 -3.036) 4.014 5.198 ( 30.040 6.011 7.307) 31.495 5.454 ( 32.074 1.471 -4.877) 32.476 7.653 ( -9.514 7.252 17.687) 21.353 7.920 ( -11.143 4.336 3.724) 12.523 9.248 ( -3.245 4.771 9.731) 11.313 9.626 ( -1.449 9.924 -10.104) 14.236 10.638 ( 19.699 -4.025 8.830) 21.959 11.048 ( 23.841 -3.786 -10.110) 26.171 12.350 ( 2.678 -7.032 19.728) 21.115 13.177 ( 1.237 -7.726 -18.410) 20.004 13.436 ( 12.084 -1.192 7.034) 14.033 13.795 ( 14.617 -1.087 -9.048) 17.225 16.422 ( -3.587 2.477 21.460) 21.898 17.302 ( -10.056 4.983 -20.263) 23.163 18.129 ( -0.615 -2.760 14.227) 14.505 18.751 ( -4.569 -3.852 -14.872) 16.028 37.178 ( 13.772 2.160 3.769) 14.441 37.307 ( 13.301 0.431 -2.324) 13.509 40.742 ( -1.393 0.588 -0.899) 1.759 40.896 ( -2.228 -3.508 -7.962) 8.982 61.361 ( -23.689 17.316 3.796) 29.587 61.877 ( -30.266 -4.463 -21.130) 37.181 ======================= Grid point 973 (302/378) ======================= q-point: ( 0.24 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 4.565 3.546 5.826) 8.207 4.374 ( 2.378 -3.116 -2.113) 4.453 5.722 ( 21.285 8.836 8.709) 24.637 6.027 ( 23.919 4.633 -6.014) 25.095 7.476 ( -7.341 -2.931 16.809) 18.575 7.712 ( -8.744 -0.611 4.670) 9.932 9.212 ( -0.414 4.922 9.123) 10.374 9.607 ( -0.348 9.972 -11.063) 14.898 11.003 ( 16.472 -1.822 10.900) 19.836 11.489 ( 20.019 -3.604 -11.564) 23.398 12.435 ( 6.154 -6.413 16.901) 19.096 13.184 ( -0.072 -5.124 -17.052) 17.805 13.704 ( 14.210 -3.450 5.546) 15.639 14.090 ( 14.675 -1.727 -10.571) 18.168 16.374 ( -0.977 2.367 16.419) 16.618 17.103 ( -9.542 4.761 -18.254) 21.141 18.138 ( 1.506 -1.471 13.800) 13.960 18.670 ( -3.575 -2.355 -11.322) 12.104 37.464 ( 14.819 2.714 3.879) 15.557 37.581 ( 14.095 0.835 -1.628) 14.213 40.715 ( -1.352 0.396 -0.024) 1.409 40.850 ( -2.448 -3.076 -6.244) 7.379 60.888 ( -23.429 15.922 3.988) 28.607 61.282 ( -29.064 0.809 -14.939) 32.688 ======================= Grid point 974 (303/378) ======================= q-point: ( 0.29 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.306 ( 6.145 1.038 5.140) 8.078 4.441 ( 4.255 -3.326 -0.943) 5.482 5.988 ( 4.892 14.207 11.366) 18.840 6.316 ( 3.705 9.731 -4.080) 11.183 7.426 ( 3.795 -14.026 13.236) 19.655 7.624 ( 0.683 -10.263 3.689) 10.927 9.230 ( 2.247 5.654 8.624) 10.554 9.614 ( 1.059 8.511 -10.350) 13.441 11.269 ( 10.061 4.582 11.903) 16.245 11.815 ( 12.306 -2.176 -12.745) 17.850 12.604 ( 10.942 -8.258 12.636) 18.644 13.193 ( 1.491 -5.098 -13.108) 14.143 13.974 ( 12.596 -4.086 1.896) 13.377 14.356 ( 11.707 -3.519 -12.526) 17.502 16.390 ( 2.689 2.335 11.594) 12.129 16.940 ( -6.620 5.031 -14.757) 16.938 18.185 ( 3.122 -0.105 12.583) 12.964 18.609 ( -2.613 -0.497 -7.650) 8.099 37.752 ( 13.885 3.303 3.835) 14.778 37.852 ( 12.968 1.321 -0.860) 13.063 40.691 ( -1.058 0.116 0.732) 1.292 40.801 ( -2.375 -2.680 -4.401) 5.673 60.455 ( -19.812 14.811 4.199) 25.090 60.749 ( -24.339 5.165 -9.850) 26.760 ======================= Grid point 975 (304/378) ======================= q-point: ( 0.35 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.435 ( 6.669 -1.130 4.851) 8.324 4.539 ( 5.481 -3.174 0.107) 6.334 5.943 ( -7.775 15.071 13.193) 21.486 6.211 ( -11.530 8.978 1.310) 14.672 7.598 ( 11.263 -17.390 7.392) 21.998 7.719 ( 7.392 -16.728 2.293) 18.432 9.297 ( 4.278 6.584 8.198) 11.352 9.645 ( 1.883 6.035 -8.316) 10.446 11.404 ( 3.995 12.533 10.983) 17.136 11.970 ( 3.565 0.922 -13.732) 14.218 12.852 ( 13.324 -11.297 8.553) 19.450 13.255 ( 4.734 -7.939 -8.634) 12.649 14.192 ( 9.305 -3.804 -2.326) 10.318 14.537 ( 6.301 -5.592 -14.492) 16.763 16.474 ( 5.489 2.829 7.701) 9.871 16.845 ( -3.013 5.348 -10.358) 12.040 18.255 ( 3.829 1.307 10.738) 11.475 18.563 ( -2.167 1.224 -4.071) 4.772 38.003 ( 11.262 3.855 3.639) 12.447 38.085 ( 10.275 1.810 -0.106) 10.434 40.674 ( -0.595 -0.239 1.231) 1.388 40.757 ( -2.061 -2.339 -2.622) 4.074 60.116 ( -14.186 14.109 4.164) 20.437 60.327 ( -18.130 8.393 -5.869) 20.823 ======================= Grid point 976 (305/378) ======================= q-point: ( 0.41 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.565 ( 6.292 -2.326 4.836) 8.270 4.647 ( 5.002 -2.957 0.918) 5.883 5.753 ( -9.701 12.019 13.367) 20.426 5.953 ( -12.893 5.957 4.471) 14.890 7.804 ( 8.659 -17.550 4.413) 20.061 7.863 ( 6.233 -18.116 2.028) 19.265 9.391 ( 4.914 7.517 7.474) 11.684 9.679 ( 1.260 3.062 -5.258) 6.214 11.451 ( 1.262 18.716 8.136) 20.447 11.980 ( -1.655 4.225 -14.118) 14.829 13.100 ( 10.974 -13.260 6.106) 18.263 13.360 ( 5.020 -11.900 -4.920) 13.821 14.348 ( 6.642 -3.360 -6.854) 10.118 14.605 ( 0.755 -6.750 -15.452) 16.879 16.591 ( 5.809 4.068 4.709) 8.513 16.809 ( -0.988 4.940 -6.123) 7.929 18.332 ( 3.764 2.564 8.436) 9.587 18.520 ( -2.273 2.422 -0.698) 3.394 38.189 ( 7.356 4.312 3.351) 9.161 38.252 ( 6.499 2.189 0.549) 6.880 40.667 ( -0.075 -0.616 1.377) 1.511 40.721 ( -1.573 -2.051 -1.085) 2.803 59.898 ( -7.784 13.765 3.605) 16.220 60.032 ( -11.593 10.501 -2.719) 15.876 ======================= Grid point 977 (306/378) ======================= q-point: ( 0.47 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 1020 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.674 ( 4.212 -2.577 4.133) 6.439 4.712 ( 0.973 -2.815 2.262) 3.740 5.611 ( -3.801 9.585 12.511) 16.213 5.751 ( -6.178 4.034 6.268) 9.681 7.925 ( 3.373 -17.503 3.153) 18.102 7.945 ( 1.900 -18.150 2.358) 18.401 9.471 ( 2.547 8.623 6.398) 11.036 9.691 ( 0.071 0.419 -2.324) 2.363 11.467 ( 0.434 22.045 5.355) 22.690 11.941 ( -1.482 6.049 -13.797) 15.137 13.260 ( 4.533 -13.812 4.928) 15.350 13.429 ( 1.725 -14.767 -2.682) 15.107 14.458 ( 4.100 -2.926 -10.880) 11.989 14.584 ( -2.090 -7.126 -14.733) 16.499 16.685 ( 3.079 6.088 2.477) 7.258 16.793 ( -0.786 3.343 -3.071) 4.607 18.400 ( 2.953 3.580 5.911) 7.515 18.472 ( -2.384 2.740 2.330) 4.315 38.289 ( 2.574 4.612 3.107) 6.128 38.339 ( 2.197 2.357 0.972) 3.366 40.670 ( 0.251 -0.889 1.174) 1.494 40.696 ( -0.804 -1.857 0.011) 2.024 59.806 ( -1.798 13.714 2.521) 14.060 59.870 ( -4.624 11.471 -0.354) 12.373 ======================= Grid point 986 (307/378) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( 0.000 0.000 6.383) 6.383 4.091 ( 0.000 -0.000 -0.734) 0.734 4.237 ( 0.000 0.000 5.345) 5.345 4.432 ( 0.000 -0.000 -1.884) 1.884 8.211 ( 0.000 0.000 14.024) 14.024 8.339 ( 0.000 0.000 3.807) 3.807 9.588 ( 0.000 0.000 8.128) 8.128 9.615 ( 0.000 0.000 12.570) 12.570 9.929 ( 0.000 0.000 -7.973) 7.973 10.009 ( 0.000 0.000 -9.599) 9.599 12.234 ( 0.000 0.000 22.776) 22.776 12.936 ( 0.000 0.000 7.122) 7.122 13.114 ( 0.000 0.000 -17.730) 17.730 13.232 ( 0.000 0.000 -6.910) 6.910 16.616 ( 0.000 0.000 30.504) 30.504 17.715 ( 0.000 0.000 -21.847) 21.847 18.160 ( 0.000 0.000 13.728) 13.728 18.914 ( 0.000 0.000 -21.394) 21.394 36.721 ( 0.000 0.000 2.938) 2.938 36.846 ( 0.000 0.000 -2.983) 2.983 40.804 ( 0.000 0.000 -3.901) 3.901 40.924 ( 0.000 -0.000 -9.753) 9.753 62.551 ( 0.000 0.000 -11.000) 11.000 62.719 ( 0.000 -0.000 -20.257) 20.257 ======================= Grid point 988 (308/378) ======================= q-point: ( 0.06 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.118 ( 16.069 0.000 6.080) 17.180 4.197 ( 1.818 0.000 3.385) 3.842 4.321 ( 16.681 0.000 0.418) 16.687 4.425 ( 0.370 -0.000 -1.494) 1.539 8.146 ( -6.287 0.000 14.773) 16.055 8.294 ( -4.383 0.000 3.814) 5.810 9.522 ( -6.626 0.000 11.241) 13.049 9.658 ( 5.655 0.000 4.545) 7.255 10.046 ( 4.618 0.000 -6.430) 7.917 10.126 ( 16.859 0.000 -7.061) 18.278 12.229 ( -0.328 0.000 22.361) 22.363 12.959 ( 2.335 0.000 1.485) 2.767 13.150 ( 3.587 0.000 -12.196) 12.712 13.310 ( 7.535 0.000 -6.961) 10.259 16.591 ( -2.458 0.000 29.601) 29.703 17.670 ( -4.472 0.000 -21.859) 22.312 18.145 ( -1.344 0.000 13.696) 13.761 18.880 ( -3.200 0.000 -20.552) 20.799 36.781 ( 5.952 -0.000 3.028) 6.678 36.904 ( 5.828 0.000 -2.838) 6.482 40.797 ( -0.679 0.000 -3.667) 3.729 40.916 ( -0.806 -0.000 -9.450) 9.485 62.425 ( -12.463 0.000 -10.137) 16.065 62.592 ( -12.529 -0.000 -19.271) 22.986 ======================= Grid point 990 (309/378) ======================= q-point: ( 0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.195 ( -0.302 0.000 4.115) 4.126 4.315 ( 0.519 -0.000 0.430) 0.674 4.670 ( 26.529 0.000 4.517) 26.911 4.821 ( 30.729 -0.000 -2.305) 30.816 7.974 ( -10.809 0.000 16.336) 19.589 8.168 ( -8.412 0.000 3.999) 9.314 9.396 ( -5.793 0.000 11.592) 12.959 9.738 ( 1.574 0.000 -5.790) 6.000 10.238 ( 14.804 0.000 3.329) 15.173 10.531 ( 22.980 0.000 -8.668) 24.560 12.234 ( 1.128 0.000 21.437) 21.466 13.023 ( 3.847 0.000 -10.485) 11.169 13.253 ( 6.839 0.000 -0.397) 6.851 13.513 ( 12.472 0.000 -7.603) 14.607 16.525 ( -3.920 0.000 26.808) 27.093 17.542 ( -8.295 0.000 -21.744) 23.272 18.115 ( -1.419 0.000 13.713) 13.786 18.800 ( -4.575 0.000 -18.214) 18.780 36.950 ( 10.874 -0.000 3.248) 11.349 37.069 ( 10.560 0.000 -2.418) 10.833 40.778 ( -1.209 0.000 -3.019) 3.252 40.893 ( -1.499 -0.000 -8.581) 8.711 62.079 ( -21.712 0.000 -7.827) 23.080 62.245 ( -21.728 -0.000 -16.694) 27.401 ======================= Grid point 992 (310/378) ======================= q-point: ( 0.18 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.203 ( 1.239 0.000 3.535) 3.746 4.309 ( 0.038 -0.000 -0.012) 0.040 5.258 ( 30.393 0.000 5.732) 30.929 5.467 ( 32.978 -0.000 -4.072) 33.228 7.727 ( -13.866 0.000 17.731) 22.509 7.963 ( -12.128 0.000 4.422) 12.909 9.304 ( -3.242 0.000 11.638) 12.081 9.737 ( -0.974 0.000 -10.715) 10.759 10.589 ( 19.509 0.000 8.328) 21.213 11.001 ( 23.679 0.000 -10.537) 25.918 12.280 ( 3.554 0.000 20.057) 20.370 13.094 ( 2.883 0.000 -18.247) 18.473 13.426 ( 10.705 0.000 7.307) 12.961 13.785 ( 14.601 0.000 -9.128) 17.219 16.448 ( -3.532 0.000 22.298) 22.576 17.354 ( -10.269 0.000 -21.029) 23.403 18.099 ( 0.023 0.000 13.813) 13.813 18.712 ( -4.008 0.000 -14.908) 15.437 37.200 ( 14.034 -0.000 3.483) 14.460 37.311 ( 13.468 0.000 -1.774) 13.584 40.751 ( -1.489 0.000 -2.098) 2.573 40.858 ( -1.988 -0.000 -7.252) 7.519 61.598 ( -25.960 0.000 -4.748) 26.390 61.765 ( -25.905 0.000 -13.372) 29.152 ======================= Grid point 994 (311/378) ======================= q-point: ( 0.24 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.246 ( 3.121 0.000 3.239) 4.498 4.332 ( 2.363 -0.000 0.299) 2.382 5.811 ( 24.037 0.000 6.830) 24.988 6.071 ( 26.467 -0.000 -5.574) 27.048 7.445 ( -13.605 -0.000 18.365) 22.856 7.706 ( -12.853 0.000 4.536) 13.630 9.272 ( -0.013 0.000 11.121) 11.121 9.715 ( -1.007 0.000 -11.098) 11.144 10.976 ( 18.834 0.000 9.548) 21.116 11.441 ( 20.129 0.000 -11.716) 23.291 12.375 ( 6.117 0.000 17.786) 18.809 13.130 ( 0.900 0.000 -16.975) 16.999 13.670 ( 13.386 0.000 5.902) 14.629 14.073 ( 13.956 0.000 -11.222) 17.908 16.399 ( -1.032 0.000 17.030) 17.061 17.153 ( -9.474 0.000 -19.123) 21.341 18.121 ( 2.143 0.000 13.622) 13.789 18.646 ( -2.684 0.000 -11.216) 11.533 37.492 ( 15.124 -0.000 3.622) 15.552 37.589 ( 14.306 0.000 -0.983) 14.340 40.721 ( -1.490 0.000 -1.085) 1.843 40.816 ( -2.214 -0.000 -5.624) 6.044 61.084 ( -25.272 0.000 -1.656) 25.326 61.250 ( -25.385 0.000 -10.036) 27.297 ======================= Grid point 996 (312/378) ======================= q-point: ( 0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.324 ( 4.620 0.000 3.474) 5.781 4.401 ( 4.543 -0.000 0.552) 4.577 6.146 ( 8.141 0.000 9.151) 12.248 6.418 ( 5.424 0.000 -3.001) 6.198 7.273 ( -0.622 -0.000 14.732) 14.745 7.511 ( -5.052 0.000 3.340) 6.056 9.301 ( 2.788 0.000 10.290) 10.661 9.703 ( -0.232 0.000 -9.426) 9.429 11.312 ( 14.653 0.000 9.298) 17.354 11.777 ( 13.316 0.000 -11.717) 17.737 12.525 ( 9.142 0.000 14.105) 16.808 13.143 ( 0.877 0.000 -12.839) 12.869 13.933 ( 12.597 0.000 1.041) 12.640 14.319 ( 10.499 0.000 -13.443) 17.057 16.416 ( 2.768 0.000 12.222) 12.532 16.994 ( -6.403 0.000 -15.719) 16.973 18.181 ( 3.842 0.000 12.697) 13.266 18.604 ( -1.668 0.000 -7.505) 7.688 37.785 ( 14.200 -0.000 3.605) 14.651 37.864 ( 13.191 0.000 -0.135) 13.191 40.694 ( -1.239 0.000 -0.161) 1.249 40.772 ( -2.168 -0.000 -3.889) 4.452 60.621 ( -20.982 0.000 0.833) 20.998 60.780 ( -21.692 0.000 -7.009) 22.796 ======================= Grid point 998 (313/378) ======================= q-point: ( 0.35 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.426 ( 5.620 0.000 4.131) 6.975 4.505 ( 5.768 -0.000 0.750) 5.817 6.122 ( -8.797 0.000 11.552) 14.520 6.297 ( -13.540 0.000 5.094) 14.466 7.417 ( 11.479 -0.000 5.830) 12.875 7.531 ( 5.771 0.000 1.799) 6.045 9.377 ( 4.784 0.000 9.142) 10.318 9.704 ( 0.227 0.000 -6.643) 6.647 11.547 ( 9.180 0.000 7.975) 12.160 11.955 ( 4.598 0.000 -10.164) 11.156 12.735 ( 11.657 0.000 9.270) 14.894 13.178 ( 2.644 0.000 -9.405) 9.770 14.154 ( 9.564 0.000 -3.941) 10.344 14.477 ( 5.326 0.000 -15.219) 16.124 16.505 ( 5.920 0.000 8.294) 10.190 16.902 ( -3.002 0.000 -11.171) 11.567 18.266 ( 4.548 0.000 10.949) 11.856 18.575 ( -1.411 0.000 -3.930) 4.175 38.043 ( 11.569 -0.000 3.425) 12.065 38.101 ( 10.448 0.000 0.692) 10.471 40.673 ( -0.802 0.000 0.522) 0.957 40.732 ( -1.885 -0.000 -2.238) 2.926 60.265 ( -14.777 0.000 2.326) 14.959 60.401 ( -16.442 0.000 -4.289) 16.992 ======================= Grid point 1000 (314/378) ======================= q-point: ( 0.41 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.542 ( 5.957 0.000 4.665) 7.566 4.617 ( 5.115 -0.000 1.158) 5.244 5.897 ( -11.610 0.000 12.333) 16.938 6.004 ( -14.348 0.000 8.030) 16.442 7.627 ( 8.698 -0.000 2.681) 9.102 7.666 ( 6.498 0.000 1.416) 6.651 9.483 ( 5.670 0.000 7.373) 9.301 9.703 ( -0.643 0.000 -3.067) 3.134 11.691 ( 5.913 0.000 5.018) 7.755 11.973 ( -2.060 0.000 -7.263) 7.550 12.966 ( 11.024 0.000 4.462) 11.892 13.232 ( 2.166 0.000 -6.627) 6.972 14.314 ( 6.801 0.000 -8.327) 10.751 14.533 ( 0.496 0.000 -15.759) 15.767 16.634 ( 6.625 0.000 4.867) 8.221 16.862 ( -1.505 0.000 -6.426) 6.600 18.356 ( 4.353 0.000 8.567) 9.609 18.543 ( -1.864 0.000 -0.529) 1.937 38.235 ( 7.679 -0.000 3.100) 8.281 38.270 ( 6.512 0.000 1.446) 6.671 40.663 ( -0.258 0.000 0.850) 0.888 40.699 ( -1.438 -0.000 -0.841) 1.666 60.039 ( -8.016 0.000 2.667) 8.448 60.132 ( -10.672 0.000 -1.820) 10.826 ======================= Grid point 1002 (315/378) ======================= q-point: ( 0.47 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 596 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.649 ( 4.229 0.000 4.137) 5.916 4.684 ( 1.006 0.000 2.381) 2.585 5.733 ( -3.643 0.000 11.580) 12.139 5.776 ( -7.678 0.000 9.673) 12.350 7.746 ( 3.266 -0.000 1.824) 3.740 7.756 ( 2.191 0.000 1.508) 2.660 9.591 ( 4.958 0.000 4.630) 6.784 9.670 ( -2.830 0.000 0.943) 2.983 11.799 ( 5.215 -0.000 0.793) 5.275 11.900 ( -4.790 0.000 -3.535) 5.953 13.149 ( 7.136 0.000 0.219) 7.139 13.239 ( -1.900 -0.000 -3.493) 3.976 14.429 ( 4.915 0.000 -11.995) 12.963 14.507 ( -2.828 0.000 -14.623) 14.894 16.751 ( 4.951 -0.000 1.485) 5.169 16.825 ( -2.568 0.000 -2.191) 3.375 18.435 ( 3.634 0.000 5.769) 6.818 18.498 ( -2.714 0.000 2.710) 3.835 38.342 ( 3.035 -0.000 2.654) 4.032 38.354 ( 1.857 0.000 2.102) 2.804 40.663 ( 0.324 0.000 0.746) 0.814 40.676 ( -0.900 0.000 0.177) 0.918 59.946 ( -1.450 0.000 1.922) 2.407 59.979 ( -4.736 0.000 0.326) 4.747 ======================= Grid point 1105 (316/378) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 0.000 0.000 -23.052) 23.052 3.392 ( 0.000 0.000 23.052) 23.052 4.191 ( 0.000 0.000 -21.965) 21.965 4.191 ( 0.000 0.000 21.965) 21.965 6.177 ( 0.000 0.000 -21.267) 21.267 6.177 ( 0.000 0.000 21.267) 21.267 9.911 ( 0.000 0.000 -4.453) 4.453 9.911 ( 0.000 0.000 4.453) 4.453 10.290 ( 0.000 0.000 -23.612) 23.612 10.290 ( 0.000 0.000 23.612) 23.612 13.174 ( 0.000 0.000 -13.225) 13.225 13.174 ( 0.000 0.000 13.225) 13.225 13.240 ( 0.000 0.000 -14.550) 14.550 13.240 ( 0.000 0.000 14.550) 14.550 16.406 ( 0.000 0.000 -13.337) 13.337 16.406 ( 0.000 0.000 13.337) 13.337 19.300 ( 0.000 0.000 -10.067) 10.067 19.300 ( 0.000 0.000 10.067) 10.067 36.688 ( 0.000 0.000 -6.737) 6.737 36.688 ( 0.000 0.000 6.737) 6.737 41.060 ( 0.000 0.000 -18.452) 18.452 41.060 ( 0.000 0.000 18.452) 18.452 61.761 ( 0.000 0.000 -16.646) 16.646 61.761 ( 0.000 0.000 16.646) 16.646 ======================= Grid point 1107 (317/378) ======================= q-point: ( 0.06 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( 20.293 0.000 -20.579) 28.902 3.613 ( 20.293 0.000 20.579) 28.902 4.190 ( 0.609 0.000 -19.513) 19.523 4.190 ( 0.609 0.000 19.513) 19.523 6.244 ( 7.164 0.000 -20.189) 21.422 6.244 ( 7.164 0.000 20.189) 21.422 9.892 ( -1.800 0.000 -2.077) 2.749 9.892 ( -1.800 0.000 2.077) 2.749 10.393 ( 9.379 0.000 -15.638) 18.235 10.393 ( 9.379 0.000 15.638) 18.235 12.818 ( -16.521 0.000 -15.601) 22.723 12.818 ( -16.521 0.000 15.601) 22.723 13.621 ( 19.519 0.000 -11.586) 22.699 13.621 ( 19.519 0.000 11.586) 22.699 16.427 ( 2.150 0.000 -12.036) 12.227 16.427 ( 2.150 0.000 12.036) 12.227 19.233 ( -6.593 0.000 -10.655) 12.530 19.233 ( -6.593 0.000 10.655) 12.530 36.737 ( 4.807 0.000 -7.022) 8.509 36.737 ( 4.807 0.000 7.022) 8.509 41.049 ( -1.068 0.000 -17.854) 17.886 41.049 ( -1.068 0.000 17.854) 17.886 61.578 ( -17.909 0.000 -13.961) 22.708 61.578 ( -17.909 0.000 13.961) 22.708 ======================= Grid point 1109 (318/378) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( 15.241 0.000 -1.624) 15.327 4.031 ( 15.241 0.000 1.624) 15.327 4.292 ( 13.864 0.000 -0.431) 13.871 4.292 ( 13.864 0.000 0.431) 13.871 6.489 ( 18.556 0.000 -17.030) 25.186 6.489 ( 18.556 0.000 17.030) 25.186 9.845 ( -2.857 0.000 -7.990) 8.485 9.845 ( -2.857 0.000 7.990) 8.485 10.592 ( 8.591 0.000 -4.096) 9.518 10.592 ( 8.591 0.000 4.096) 9.518 12.609 ( -2.910 0.000 -13.157) 13.475 12.609 ( -2.910 0.000 13.157) 13.475 13.960 ( 14.344 0.000 -10.623) 17.850 13.960 ( 14.344 0.000 10.623) 17.850 16.490 ( 4.136 0.000 -8.612) 9.554 16.490 ( 4.136 0.000 8.612) 9.554 19.048 ( -11.796 0.000 -12.069) 16.876 19.048 ( -11.796 0.000 12.069) 16.876 36.871 ( 8.403 0.000 -7.602) 11.332 36.871 ( 8.403 0.000 7.602) 11.332 41.020 ( -1.795 0.000 -16.209) 16.308 41.020 ( -1.795 0.000 16.209) 16.308 61.090 ( -30.168 0.000 -7.820) 31.165 61.090 ( -30.168 0.000 7.820) 31.165 ======================= Grid point 1111 (319/378) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.216 ( 7.977 0.000 -11.775) 14.222 4.216 ( 7.977 0.000 11.775) 14.222 4.660 ( 17.593 0.000 -15.832) 23.668 4.660 ( 17.593 0.000 15.832) 23.668 6.998 ( 32.334 0.000 -12.713) 34.743 6.998 ( 32.334 0.000 12.713) 34.743 9.782 ( -3.337 0.000 -8.076) 8.738 9.782 ( -3.337 0.000 8.076) 8.738 10.672 ( -0.768 0.000 -4.998) 5.057 10.672 ( -0.768 0.000 4.998) 5.057 12.736 ( 15.191 0.000 -6.277) 16.437 12.736 ( 15.191 0.000 6.277) 16.437 14.185 ( 8.571 0.000 -10.872) 13.844 14.185 ( 8.571 0.000 10.872) 13.844 16.585 ( 5.238 0.000 -4.423) 6.856 16.585 ( 5.238 0.000 4.423) 6.856 18.781 ( -14.771 0.000 -13.536) 20.035 18.781 ( -14.771 0.000 13.536) 20.035 37.058 ( 10.200 0.000 -7.943) 12.928 37.058 ( 10.200 0.000 7.943) 12.928 40.981 ( -2.010 0.000 -13.871) 14.016 40.981 ( -2.010 0.000 13.871) 14.016 60.433 ( -35.001 0.000 -1.769) 35.046 60.433 ( -35.001 0.000 1.769) 35.046 ======================= Grid point 1113 (320/378) ======================= q-point: ( 0.24 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.397 ( 10.205 0.000 -8.604) 13.348 4.397 ( 10.205 0.000 8.604) 13.348 4.931 ( 10.140 0.000 -13.941) 17.239 4.931 ( 10.140 0.000 13.941) 17.239 7.717 ( 38.372 0.000 -8.634) 39.332 7.717 ( 38.372 0.000 8.634) 39.332 9.719 ( -2.800 0.000 -4.063) 4.934 9.719 ( -2.800 0.000 4.063) 4.934 10.596 ( -5.707 0.000 -7.257) 9.233 10.596 ( -5.707 0.000 7.257) 9.233 13.146 ( 24.109 0.000 -1.148) 24.136 13.146 ( 24.109 0.000 1.148) 24.136 14.312 ( 4.665 0.000 -10.955) 11.907 14.312 ( 4.665 0.000 10.955) 11.907 16.687 ( 4.771 0.000 -0.988) 4.872 16.687 ( 4.771 0.000 0.988) 4.872 18.480 ( -15.229 0.000 -14.290) 20.884 18.480 ( -15.229 0.000 14.290) 20.884 37.263 ( 10.254 0.000 -7.678) 12.810 37.263 ( 10.254 0.000 7.678) 12.810 40.943 ( -1.758 0.000 -11.210) 11.347 40.943 ( -1.758 0.000 11.210) 11.347 59.742 ( -33.883 0.000 -2.109) 33.949 59.742 ( -33.883 0.000 2.109) 33.949 ======================= Grid point 1115 (321/378) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.608 ( 10.712 0.000 -4.636) 11.672 4.608 ( 10.712 0.000 4.636) 11.672 5.084 ( 5.698 0.000 -10.045) 11.548 5.084 ( 5.698 0.000 10.045) 11.548 8.439 ( 32.482 0.000 -4.406) 32.780 8.439 ( 32.482 0.000 4.406) 32.780 9.689 ( 0.537 0.000 -2.569) 2.624 9.689 ( 0.537 0.000 2.569) 2.624 10.486 ( -4.747 0.000 -3.899) 6.143 10.486 ( -4.747 0.000 3.899) 6.143 13.621 ( 22.364 0.000 -0.873) 22.381 13.621 ( 22.364 0.000 0.873) 22.381 14.391 ( 3.947 0.000 -9.826) 10.589 14.391 ( 3.947 0.000 9.826) 10.589 16.765 ( 2.885 0.000 -0.910) 3.025 16.765 ( 2.885 0.000 0.910) 3.025 18.194 ( -13.199 0.000 -13.680) 19.010 18.194 ( -13.199 0.000 13.680) 19.010 37.455 ( 8.961 0.000 -6.733) 11.208 37.455 ( 8.961 0.000 6.733) 11.208 40.913 ( -1.230 0.000 -8.500) 8.588 40.913 ( -1.230 0.000 8.500) 8.588 59.115 ( -28.989 0.000 -3.634) 29.216 59.115 ( -28.989 0.000 3.634) 29.216 ======================= Grid point 1117 (322/378) ======================= q-point: ( 0.35 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.810 ( 9.478 0.000 -1.685) 9.626 4.810 ( 9.478 0.000 1.685) 9.626 5.167 ( 2.860 0.000 -6.218) 6.844 5.167 ( 2.860 0.000 6.218) 6.844 8.919 ( 14.604 0.000 -0.321) 14.608 8.919 ( 14.604 0.000 0.321) 14.608 9.783 ( 9.441 0.000 -8.490) 12.697 9.783 ( 9.441 0.000 8.490) 12.697 10.426 ( -0.913 0.000 -0.482) 1.032 10.426 ( -0.913 0.000 0.482) 1.032 13.982 ( 13.277 0.000 -0.353) 13.281 13.982 ( 13.277 0.000 0.353) 13.281 14.494 ( 6.833 0.000 -6.614) 9.510 14.494 ( 6.833 0.000 6.614) 9.510 16.798 ( 0.552 0.000 -1.224) 1.343 16.798 ( 0.552 0.000 1.224) 1.343 17.970 ( -9.236 0.000 -11.217) 14.530 17.970 ( -9.236 0.000 11.217) 14.530 37.612 ( 6.798 0.000 -5.212) 8.566 37.612 ( 6.798 0.000 5.212) 8.566 40.895 ( -0.668 0.000 -5.897) 5.935 40.895 ( -0.668 0.000 5.897) 5.935 58.608 ( -21.907 0.000 -3.484) 22.182 58.608 ( -21.907 0.000 3.484) 22.182 ======================= Grid point 1119 (323/378) ======================= q-point: ( 0.41 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.976 ( 7.111 0.000 -0.205) 7.114 4.976 ( 7.111 0.000 0.205) 7.114 5.200 ( 0.574 0.000 -3.184) 3.235 5.200 ( 0.574 0.000 3.184) 3.235 9.057 ( 1.822 0.000 -0.239) 1.838 9.057 ( 1.822 0.000 0.239) 1.838 9.994 ( 9.106 0.000 -6.591) 11.241 9.994 ( 9.106 0.000 6.591) 11.241 10.460 ( 4.189 0.000 -1.684) 4.515 10.460 ( 4.189 0.000 1.684) 4.515 14.152 ( 4.863 0.000 -1.040) 4.973 14.152 ( 4.863 0.000 1.040) 4.973 14.646 ( 7.389 0.000 -2.623) 7.841 14.646 ( 7.389 0.000 2.623) 7.841 16.793 ( -0.789 0.000 -0.607) 0.995 16.793 ( -0.789 0.000 0.607) 0.995 17.831 ( -4.847 0.000 -7.114) 8.608 17.831 ( -4.847 0.000 7.114) 8.608 37.722 ( 4.186 0.000 -3.284) 5.320 37.722 ( 4.186 0.000 3.284) 5.320 40.886 ( -0.262 0.000 -3.453) 3.463 40.886 ( -0.262 0.000 3.453) 3.463 58.255 ( -13.581 0.000 -2.382) 13.788 58.255 ( -13.581 0.000 2.382) 13.788 ======================= Grid point 1121 (324/378) ======================= q-point: ( 0.47 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.084 ( 3.390 0.000 -0.053) 3.390 5.084 ( 3.390 0.000 0.053) 3.390 5.195 ( -0.778 0.000 -0.980) 1.252 5.195 ( -0.778 0.000 0.980) 1.252 9.063 ( -0.250 0.000 -0.334) 0.417 9.063 ( -0.250 0.000 0.334) 0.417 10.102 ( 2.250 0.000 -1.713) 2.828 10.102 ( 2.250 0.000 1.713) 2.828 10.550 ( 3.248 0.000 -0.312) 3.263 10.550 ( 3.248 0.000 0.312) 3.263 14.208 ( 1.251 0.000 -0.587) 1.382 14.208 ( 1.251 0.000 0.587) 1.382 14.751 ( 2.800 0.000 -0.608) 2.865 14.751 ( 2.800 0.000 0.608) 2.865 16.778 ( -0.501 0.000 -0.107) 0.512 16.778 ( -0.501 0.000 0.107) 0.512 17.771 ( -1.406 0.000 -2.382) 2.766 17.771 ( -1.406 0.000 2.382) 2.766 37.777 ( 1.407 0.000 -1.120) 1.798 37.777 ( 1.407 0.000 1.120) 1.798 40.883 ( -0.057 0.000 -1.135) 1.137 40.883 ( -0.057 0.000 1.135) 1.137 58.075 ( -4.596 0.000 -0.836) 4.672 58.075 ( -4.596 0.000 0.836) 4.672 ======================= Grid point 1139 (325/378) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( 0.000 4.653 -21.984) 22.471 3.439 ( 0.000 4.653 21.984) 22.471 4.147 ( 0.000 -3.605 -23.214) 23.492 4.147 ( 0.000 -3.605 23.214) 23.492 6.385 ( 0.000 20.191 -20.541) 28.803 6.385 ( 0.000 20.191 20.541) 28.803 9.902 ( 0.000 -0.956 -5.052) 5.142 9.902 ( 0.000 -0.956 5.052) 5.142 10.152 ( 0.000 -12.820 -22.040) 25.498 10.152 ( 0.000 -12.820 22.040) 25.498 13.168 ( 0.000 -0.604 -12.891) 12.905 13.168 ( 0.000 -0.604 12.891) 12.905 13.286 ( 0.000 3.652 -16.721) 17.115 13.286 ( 0.000 3.652 16.721) 17.115 16.462 ( 0.000 5.711 -15.153) 16.193 16.462 ( 0.000 5.711 15.153) 16.193 19.252 ( 0.000 -4.913 -12.327) 13.270 19.252 ( 0.000 -4.913 12.327) 13.270 36.695 ( 0.000 0.637 -6.558) 6.589 36.695 ( 0.000 0.637 6.558) 6.589 41.046 ( 0.000 -1.484 -17.350) 17.414 41.046 ( 0.000 -1.484 17.350) 17.414 61.846 ( 0.000 8.262 -26.553) 27.809 61.846 ( 0.000 8.262 26.553) 27.809 ======================= Grid point 1141 (326/378) ======================= q-point: ( 0.06 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( 20.044 4.472 -19.684) 28.447 3.658 ( 20.044 4.472 19.684) 28.447 4.154 ( 1.405 -3.044 -20.554) 20.826 4.154 ( 1.405 -3.044 20.554) 20.826 6.436 ( 5.567 18.730 -19.482) 27.592 6.436 ( 5.567 18.730 19.482) 27.592 9.833 ( -4.887 -6.259 -8.022) 11.288 9.833 ( -4.887 -6.259 8.022) 11.288 10.306 ( 12.755 -7.316 -12.325) 19.186 10.306 ( 12.755 -7.316 12.325) 19.186 12.883 ( -14.248 5.796 -15.502) 21.838 12.883 ( -14.248 5.796 15.502) 21.838 13.598 ( 17.416 -2.486 -12.138) 21.373 13.598 ( 17.416 -2.486 12.138) 21.373 16.478 ( 1.562 5.123 -14.084) 15.069 16.478 ( 1.562 5.123 14.084) 15.069 19.189 ( -6.214 -4.534 -12.753) 14.893 19.189 ( -6.214 -4.534 12.753) 14.893 36.744 ( 4.872 0.701 -6.808) 8.401 36.744 ( 4.872 0.701 6.808) 8.401 41.035 ( -1.040 -1.453 -16.807) 16.902 41.035 ( -1.040 -1.453 16.807) 16.902 61.666 ( -17.690 8.518 -23.975) 30.989 61.666 ( -17.690 8.518 23.975) 30.989 ======================= Grid point 1143 (327/378) ======================= q-point: ( 0.12 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( 11.517 0.857 -11.599) 16.368 4.040 ( 11.517 0.857 11.599) 16.368 4.308 ( 18.752 1.963 -8.891) 20.846 4.308 ( 18.752 1.963 8.891) 20.846 6.635 ( 15.491 14.356 -16.385) 26.731 6.635 ( 15.491 14.356 16.385) 26.731 9.737 ( -4.781 -10.188 -12.110) 16.532 9.737 ( -4.781 -10.188 12.110) 16.532 10.574 ( 12.487 -1.545 -6.305) 14.073 10.574 ( 12.487 -1.545 6.305) 14.073 12.698 ( -3.135 8.152 -13.867) 16.389 12.698 ( -3.135 8.152 13.867) 16.389 13.908 ( 13.566 -5.253 -10.535) 17.961 13.908 ( 13.566 -5.253 10.535) 17.961 16.523 ( 2.967 3.371 -11.306) 12.165 16.523 ( 2.967 3.371 11.306) 12.165 19.015 ( -11.037 -3.402 -13.773) 17.975 19.015 ( -11.037 -3.402 13.773) 17.975 36.880 ( 8.561 0.921 -7.321) 11.302 36.880 ( 8.561 0.921 7.321) 11.302 41.007 ( -1.754 -1.376 -15.309) 15.471 41.007 ( -1.754 -1.376 15.309) 15.471 61.183 ( -29.852 9.133 -18.128) 36.100 61.183 ( -29.852 9.133 18.128) 36.100 ======================= Grid point 1145 (328/378) ======================= q-point: ( 0.18 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.196 ( 7.683 -1.581 -14.743) 16.700 4.196 ( 7.683 -1.581 14.743) 16.700 4.729 ( 18.887 6.571 -16.200) 25.736 4.729 ( 18.887 6.571 16.200) 25.736 7.075 ( 28.742 7.667 -12.056) 32.097 7.075 ( 28.742 7.667 12.056) 32.097 9.647 ( -4.189 -12.014 -12.274) 17.679 9.647 ( -4.189 -12.014 12.274) 17.679 10.740 ( 3.557 5.598 -10.577) 12.484 10.740 ( 3.557 5.598 10.577) 12.484 12.793 ( 12.617 5.396 -7.873) 15.820 12.793 ( 12.617 5.396 7.873) 15.820 14.131 ( 9.068 -5.458 -10.109) 14.636 14.131 ( 9.068 -5.458 10.109) 14.636 16.591 ( 3.685 0.673 -8.045) 8.875 16.591 ( 3.685 0.673 8.045) 8.875 18.767 ( -13.646 -1.535 -14.752) 20.154 18.767 ( -13.646 -1.535 14.752) 20.154 37.071 ( 10.463 1.342 -7.624) 13.015 37.071 ( 10.463 1.342 7.624) 13.015 40.969 ( -1.978 -1.294 -13.165) 13.375 40.969 ( -1.978 -1.294 13.165) 13.375 60.532 ( -34.672 9.857 -12.525) 38.160 60.532 ( -34.672 9.857 12.525) 38.160 ======================= Grid point 1147 (329/378) ======================= q-point: ( 0.24 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.374 ( 10.150 -1.981 -10.898) 15.024 4.374 ( 10.150 -1.981 10.898) 15.024 5.012 ( 10.105 7.895 -14.819) 19.596 5.012 ( 10.105 7.895 14.819) 19.596 7.728 ( 35.403 1.071 -7.995) 36.310 7.728 ( 35.403 1.071 7.995) 36.310 9.579 ( -2.338 -11.955 -10.229) 15.907 9.579 ( -2.338 -11.955 10.229) 15.907 10.730 ( -3.558 11.547 -15.058) 19.307 10.730 ( -3.558 11.547 15.058) 19.307 13.150 ( 21.570 0.267 -2.830) 21.756 13.150 ( 21.570 0.267 2.830) 21.756 14.279 ( 6.192 -3.384 -10.004) 12.242 14.279 ( 6.192 -3.384 10.004) 12.242 16.661 ( 3.222 -2.363 -5.782) 7.029 16.661 ( 3.222 -2.363 5.782) 7.029 18.491 ( -13.817 0.959 -14.968) 20.393 18.491 ( -13.817 0.959 14.968) 20.393 37.283 ( 10.598 1.952 -7.381) 13.062 37.283 ( 10.598 1.952 7.381) 13.062 40.931 ( -1.746 -1.242 -10.701) 10.913 40.931 ( -1.746 -1.242 10.701) 10.913 59.849 ( -33.541 10.592 -8.968) 36.299 59.849 ( -33.541 10.592 8.968) 36.299 ======================= Grid point 1149 (330/378) ======================= q-point: ( 0.29 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.585 ( 10.785 -2.131 -6.820) 12.937 4.585 ( 10.785 -2.131 6.820) 12.937 5.155 ( 4.829 7.072 -11.868) 14.635 5.155 ( 4.829 7.072 11.868) 14.635 8.399 ( 30.256 -4.036 -4.173) 30.808 8.399 ( 30.256 -4.036 4.173) 30.808 9.572 ( 2.311 -10.051 -7.354) 12.667 9.572 ( 2.311 -10.051 7.354) 12.667 10.636 ( -5.178 13.427 -15.207) 20.937 10.636 ( -5.178 13.427 15.207) 20.937 13.579 ( 20.350 -4.179 -2.080) 20.878 13.579 ( 20.350 -4.179 2.080) 20.878 14.395 ( 5.985 0.166 -9.431) 11.171 14.395 ( 5.985 0.166 9.432) 11.171 16.712 ( 1.757 -4.919 -4.930) 7.183 16.712 ( 1.757 -4.919 4.930) 7.183 18.234 ( -11.766 3.719 -13.810) 18.520 18.234 ( -11.766 3.719 13.810) 18.520 37.482 ( 9.331 2.671 -6.518) 11.691 37.482 ( 9.331 2.671 6.518) 11.691 40.901 ( -1.238 -1.234 -8.164) 8.349 40.901 ( -1.238 -1.234 8.164) 8.349 59.228 ( -28.631 11.344 -6.879) 31.555 59.228 ( -28.631 11.344 6.879) 31.555 ======================= Grid point 1151 (331/378) ======================= q-point: ( 0.35 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.789 ( 9.601 -2.096 -3.579) 10.458 4.789 ( 9.601 -2.096 3.579) 10.458 5.218 ( 1.773 5.193 -8.695) 10.282 5.218 ( 1.773 5.193 8.695) 10.282 8.855 ( 14.829 -6.102 -1.063) 16.071 8.855 ( 14.829 -6.102 1.063) 16.071 9.699 ( 10.596 -8.127 -6.509) 14.856 9.699 ( 10.596 -8.127 6.509) 14.856 10.546 ( -3.469 11.457 -12.527) 17.327 10.546 ( -3.469 11.457 12.527) 17.327 13.917 ( 13.279 -6.173 -2.845) 14.917 13.917 ( 13.279 -6.173 2.845) 14.917 14.527 ( 7.327 2.731 -8.012) 11.195 14.527 ( 7.327 2.731 8.012) 11.195 16.730 ( 0.195 -6.238 -4.531) 7.713 16.730 ( 0.195 -6.238 4.531) 7.713 18.034 ( -8.234 6.040 -11.009) 15.015 18.034 ( -8.234 6.040 11.009) 15.015 37.646 ( 7.126 3.375 -5.133) 9.408 37.646 ( 7.126 3.375 5.133) 9.408 40.882 ( -0.687 -1.261 -5.701) 5.879 40.882 ( -0.687 -1.261 5.701) 5.879 58.728 ( -21.571 12.079 -5.154) 25.254 58.728 ( -21.571 12.079 5.154) 25.254 ======================= Grid point 1153 (332/378) ======================= q-point: ( 0.41 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.957 ( 7.178 -2.043 -1.829) 7.684 4.957 ( 7.178 -2.043 1.829) 7.684 5.231 ( -0.254 3.348 -5.953) 6.834 5.231 ( -0.254 3.348 5.953) 6.834 9.021 ( 3.806 -3.432 -2.016) 5.507 9.021 ( 3.806 -3.432 2.016) 5.507 9.928 ( 10.244 -7.858 -5.655) 14.095 9.928 ( 10.244 -7.858 5.655) 14.095 10.511 ( 0.031 6.275 -8.490) 10.557 10.511 ( 0.031 6.275 8.490) 10.557 14.110 ( 6.716 -4.092 -2.685) 8.310 14.110 ( 6.716 -4.092 2.685) 8.310 14.666 ( 6.059 1.672 -6.181) 8.816 14.666 ( 6.059 1.672 6.181) 8.816 16.725 ( -0.505 -6.147 -3.993) 7.348 16.725 ( -0.505 -6.147 3.993) 7.348 17.909 ( -4.468 7.322 -7.026) 11.088 17.909 ( -4.468 7.322 7.026) 11.088 37.761 ( 4.411 3.932 -3.419) 6.827 37.761 ( 4.411 3.932 3.419) 6.827 40.873 ( -0.280 -1.299 -3.370) 3.623 40.873 ( -0.280 -1.299 3.370) 3.623 58.381 ( -13.336 12.688 -3.391) 18.718 58.381 ( -13.336 12.688 3.391) 18.718 ======================= Grid point 1155 (333/378) ======================= q-point: ( 0.47 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.065 ( 3.261 -2.207 -1.080) 4.083 5.065 ( 3.261 -2.207 1.080) 4.083 5.216 ( -0.940 2.422 -3.736) 4.551 5.216 ( -0.940 2.422 3.736) 4.551 9.058 ( 0.642 -0.607 -4.275) 4.366 9.058 ( 0.642 -0.607 4.275) 4.366 10.059 ( 2.964 -6.343 -4.622) 8.390 10.059 ( 2.964 -6.343 4.622) 8.390 10.532 ( 1.224 0.476 -5.217) 5.380 10.532 ( 1.224 0.476 5.217) 5.380 14.196 ( 2.143 -1.384 -1.927) 3.197 14.196 ( 2.143 -1.384 1.927) 3.197 14.749 ( 2.128 -0.312 -5.007) 5.449 14.749 ( 2.128 -0.312 5.007) 5.449 16.716 ( -0.274 -5.549 -3.466) 6.548 16.716 ( -0.274 -5.549 3.466) 6.548 17.853 ( -1.352 7.717 -2.980) 8.382 17.853 ( -1.352 7.717 2.980) 8.382 37.819 ( 1.487 4.238 -1.768) 4.827 37.819 ( 1.487 4.238 1.768) 4.827 40.870 ( -0.064 -1.325 -1.189) 1.781 40.870 ( -0.064 -1.325 1.189) 1.781 58.204 ( -4.507 13.038 -1.815) 13.913 58.204 ( -4.507 13.038 1.815) 13.913 ======================= Grid point 1173 (334/378) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( 0.000 7.859 -19.076) 20.632 3.563 ( 0.000 7.859 19.076) 20.632 4.093 ( 0.000 -1.195 -22.663) 22.694 4.093 ( 0.000 -1.195 22.663) 22.694 6.886 ( 0.000 29.620 -18.488) 34.916 6.886 ( 0.000 29.620 18.488) 34.916 9.873 ( 0.000 -13.884 -17.555) 22.382 9.873 ( 0.000 -13.884 17.555) 22.382 9.876 ( 0.000 -1.705 -6.309) 6.535 9.876 ( 0.000 -1.705 6.309) 6.535 13.151 ( 0.000 -1.042 -11.952) 11.997 13.151 ( 0.000 -1.042 11.952) 11.997 13.327 ( 0.000 -0.562 -20.155) 20.163 13.327 ( 0.000 -0.562 20.155) 20.163 16.617 ( 0.000 9.940 -18.881) 21.337 16.617 ( 0.000 9.940 18.881) 21.337 19.115 ( 0.000 -9.057 -15.985) 18.373 19.115 ( 0.000 -9.057 15.985) 18.373 36.712 ( 0.000 1.104 -6.040) 6.141 36.712 ( 0.000 1.104 6.040) 6.141 41.003 ( 0.000 -2.860 -14.563) 14.841 41.003 ( 0.000 -2.860 14.563) 14.841 62.046 ( 0.000 11.316 -38.466) 40.096 62.046 ( 0.000 11.316 38.466) 40.096 ======================= Grid point 1175 (335/378) ======================= q-point: ( 0.06 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( 19.496 7.641 -17.288) 27.154 3.778 ( 19.496 7.641 17.288) 27.154 4.107 ( 2.407 -1.092 -20.154) 20.327 4.107 ( 2.407 -1.092 20.154) 20.327 6.904 ( 2.197 27.795 -17.589) 32.966 6.904 ( 2.197 27.795 17.589) 32.966 9.663 ( -8.828 -9.929 -12.117) 17.981 9.663 ( -8.828 -9.929 12.117) 17.981 10.178 ( 17.584 -5.167 -8.519) 20.211 10.178 ( 17.584 -5.167 8.519) 20.211 12.997 ( -8.933 5.043 -14.961) 18.140 12.997 ( -8.933 5.043 14.961) 18.140 13.516 ( 12.547 -6.255 -13.696) 19.599 13.516 ( 12.547 -6.255 13.696) 19.599 16.617 ( -0.030 8.942 -18.142) 20.226 16.617 ( -0.030 8.942 18.142) 20.226 19.062 ( -5.186 -8.408 -16.173) 18.951 19.062 ( -5.186 -8.408 16.173) 18.951 36.763 ( 5.064 1.228 -6.209) 8.106 36.763 ( 5.064 1.228 6.209) 8.106 40.993 ( -0.948 -2.793 -14.149) 14.453 40.993 ( -0.948 -2.793 14.149) 14.453 61.874 ( -16.885 11.943 -35.701) 41.259 61.874 ( -16.885 11.943 35.701) 41.259 ======================= Grid point 1177 (336/378) ======================= q-point: ( 0.12 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.064 ( 5.584 1.721 -17.960) 18.886 4.064 ( 5.584 1.721 17.960) 18.886 4.379 ( 26.468 5.314 -14.327) 30.563 4.379 ( 26.468 5.314 14.327) 30.563 7.001 ( 8.470 22.020 -14.899) 27.904 7.001 ( 8.470 22.020 14.899) 27.904 9.513 ( -6.536 -11.130 -12.190) 17.753 9.513 ( -6.536 -11.130 12.190) 17.753 10.543 ( 18.106 -1.613 -7.730) 19.753 10.543 ( 18.106 -1.613 7.730) 19.753 12.873 ( -2.744 8.666 -15.200) 17.711 12.873 ( -2.744 8.666 15.200) 17.711 13.761 ( 11.889 -9.738 -10.436) 18.577 13.761 ( 11.889 -9.738 10.436) 18.577 16.617 ( -0.003 6.140 -16.148) 17.276 16.617 ( -0.003 6.140 16.148) 17.276 18.918 ( -9.010 -6.489 -16.536) 19.918 18.918 ( -9.010 -6.489 16.536) 19.918 36.905 ( 9.000 1.633 -6.558) 11.255 36.905 ( 9.000 1.633 6.558) 11.255 40.967 ( -1.618 -2.626 -12.997) 13.358 40.967 ( -1.618 -2.626 12.997) 13.358 61.412 ( -28.651 13.496 -29.018) 42.954 61.412 ( -28.651 13.496 29.018) 42.954 ======================= Grid point 1179 (337/378) ======================= q-point: ( 0.18 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.174 ( 6.717 -0.374 -15.774) 17.148 4.174 ( 6.717 -0.374 15.774) 17.148 4.890 ( 22.159 9.524 -15.186) 28.501 4.890 ( 22.159 9.524 15.186) 28.501 7.273 ( 19.364 12.018 -10.729) 25.190 7.273 ( 19.364 12.018 10.729) 25.190 9.404 ( -4.369 -11.236 -10.839) 16.212 9.404 ( -4.369 -11.236 10.839) 16.212 10.844 ( 11.189 4.557 -11.241) 16.502 10.844 ( 11.189 4.557 11.241) 16.502 12.914 ( 7.162 6.062 -11.561) 14.890 12.914 ( 7.162 6.062 11.561) 14.890 13.983 ( 10.588 -9.463 -8.588) 16.596 13.983 ( 10.588 -9.463 8.588) 16.596 16.617 ( -0.038 2.152 -13.457) 13.629 16.617 ( -0.038 2.152 13.457) 13.629 18.719 ( -10.740 -3.426 -16.555) 20.028 18.719 ( -10.740 -3.426 16.555) 20.028 37.108 ( 11.173 2.364 -6.760) 13.271 37.108 ( 11.173 2.364 6.760) 13.271 40.932 ( -1.858 -2.435 -11.316) 11.723 40.932 ( -1.858 -2.435 11.316) 11.723 60.786 ( -33.414 15.378 -21.572) 42.642 60.786 ( -33.414 15.378 21.572) 42.642 ======================= Grid point 1181 (338/378) ======================= q-point: ( 0.24 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( 9.420 -1.696 -11.741) 15.148 4.336 ( 9.420 -1.696 11.741) 15.148 5.215 ( 10.788 12.473 -14.642) 22.053 5.215 ( 10.788 12.473 14.642) 22.053 7.749 ( 27.368 0.777 -6.550) 28.152 7.749 ( 27.368 0.777 6.550) 28.152 9.347 ( -1.148 -10.424 -8.431) 13.455 9.347 ( -1.148 -10.424 8.431) 13.455 10.968 ( 1.629 11.936 -16.714) 20.603 10.968 ( 1.629 11.936 16.714) 20.603 13.143 ( 15.035 -1.384 -6.924) 16.611 13.143 ( 15.035 -1.384 6.924) 16.611 14.186 ( 10.098 -5.925 -8.194) 14.291 14.186 ( 10.098 -5.925 8.194) 14.291 16.614 ( -0.260 -1.975 -10.659) 10.844 16.614 ( -0.260 -1.975 10.659) 10.844 18.507 ( -10.398 0.413 -15.626) 18.774 18.507 ( -10.398 0.413 15.626) 18.774 37.335 ( 11.515 3.392 -6.558) 13.678 37.335 ( 11.515 3.392 6.558) 13.678 40.896 ( -1.684 -2.292 -9.336) 9.760 40.896 ( -1.684 -2.292 9.336) 9.760 60.127 ( -32.315 17.238 -15.424) 39.741 60.127 ( -32.315 17.238 15.424) 39.741 ======================= Grid point 1183 (339/378) ======================= q-point: ( 0.29 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.535 ( 10.305 -2.862 -7.778) 13.225 4.535 ( 10.305 -2.862 7.778) 13.225 5.345 ( 3.160 12.265 -13.063) 18.195 5.345 ( 3.160 12.265 13.063) 18.195 8.289 ( 25.423 -7.224 -3.419) 26.649 8.289 ( 25.423 -7.224 3.419) 26.649 9.369 ( 3.674 -9.693 -5.557) 11.762 9.369 ( 3.674 -9.693 5.557) 11.762 10.935 ( -4.233 16.255 -19.307) 25.592 10.935 ( -4.233 16.255 19.307) 25.592 13.463 ( 16.256 -7.720 -4.990) 18.675 13.463 ( 16.256 -7.720 4.990) 18.675 14.386 ( 9.939 -1.431 -8.897) 13.416 14.386 ( 9.939 -1.431 8.897) 13.416 16.606 ( -0.446 -5.019 -8.163) 9.593 16.606 ( -0.446 -5.019 8.163) 9.593 18.317 ( -8.552 4.323 -13.412) 16.483 18.317 ( -8.552 4.323 13.412) 16.483 37.554 ( 10.311 4.584 -5.882) 12.725 37.554 ( 10.311 4.584 5.882) 12.725 40.867 ( -1.240 -2.234 -7.238) 7.676 40.867 ( -1.240 -2.234 7.238) 7.676 59.530 ( -27.452 18.982 -10.909) 35.114 59.530 ( -27.452 18.982 10.909) 35.114 ======================= Grid point 1185 (340/378) ======================= q-point: ( 0.35 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.732 ( 9.336 -3.698 -4.522) 11.013 4.732 ( 9.336 -3.698 4.522) 11.013 5.365 ( -0.678 9.864 -10.798) 14.641 5.365 ( -0.678 9.864 10.798) 14.641 8.705 ( 16.042 -9.181 -1.710) 18.562 8.705 ( 16.042 -9.181 1.710) 18.562 9.497 ( 8.932 -11.621 -3.507) 15.071 9.497 ( 8.932 -11.621 3.507) 15.071 10.827 ( -6.052 16.599 -18.558) 25.623 10.827 ( -6.052 16.599 18.558) 25.623 13.763 ( 13.700 -9.478 -4.684) 17.305 13.763 ( 13.700 -9.478 4.684) 17.305 14.567 ( 7.953 0.711 -9.575) 12.468 14.567 ( 7.953 0.711 9.575) 12.468 16.599 ( -0.202 -6.151 -6.360) 8.851 16.599 ( -0.202 -6.151 6.360) 8.851 18.172 ( -6.007 7.482 -10.118) 13.943 18.172 ( -6.007 7.482 10.118) 13.943 37.737 ( 7.994 5.744 -4.815) 10.958 37.737 ( 7.994 5.744 4.815) 10.958 40.848 ( -0.730 -2.252 -5.142) 5.661 40.848 ( -0.730 -2.252 5.142) 5.661 59.053 ( -20.534 20.542 -7.526) 30.004 59.053 ( -20.534 20.542 7.526) 30.004 ======================= Grid point 1187 (341/378) ======================= q-point: ( 0.41 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.895 ( 6.956 -4.219 -2.585) 8.536 4.895 ( 6.956 -4.219 2.585) 8.536 5.333 ( -2.167 7.149 -8.328) 11.187 5.333 ( -2.167 7.149 8.328) 11.187 8.933 ( 7.702 -5.861 -3.803) 10.399 8.933 ( 7.702 -5.861 3.803) 10.399 9.685 ( 8.800 -15.836 -2.480) 18.286 9.685 ( 8.800 -15.836 2.480) 18.286 10.715 ( -4.906 14.159 -15.806) 21.780 10.715 ( -4.906 14.159 15.806) 21.780 13.999 ( 9.881 -7.509 -4.212) 13.105 13.999 ( 9.881 -7.509 4.212) 13.105 14.686 ( 3.939 -0.228 -9.443) 10.234 14.686 ( 3.939 -0.228 9.443) 10.234 16.600 ( 0.250 -5.636 -5.361) 7.782 16.600 ( 0.250 -5.636 5.361) 7.782 18.079 ( -3.428 9.432 -6.395) 11.900 18.079 ( -3.428 9.432 6.395) 11.900 37.866 ( 5.006 6.662 -3.561) 9.062 37.866 ( 5.006 6.662 3.561) 9.062 40.838 ( -0.326 -2.306 -3.118) 3.892 40.838 ( -0.326 -2.306 3.118) 3.892 58.723 ( -12.608 21.759 -4.814) 25.605 58.723 ( -12.608 21.759 4.814) 25.605 ======================= Grid point 1189 (342/378) ======================= q-point: ( 0.47 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.997 ( 2.904 -4.587 -1.221) 5.565 4.997 ( 2.904 -4.587 1.221) 5.565 5.294 ( -1.387 5.564 -5.897) 8.226 5.294 ( -1.387 5.564 5.897) 8.226 9.031 ( 2.400 -2.823 -6.495) 7.477 9.031 ( 2.400 -2.823 6.495) 7.477 9.809 ( 3.296 -17.936 -1.984) 18.345 9.809 ( 3.296 -17.936 1.984) 18.345 10.646 ( -1.820 11.228 -13.223) 17.442 10.646 ( -1.820 11.228 13.223) 17.442 14.140 ( 3.902 -5.001 -3.331) 7.165 14.140 ( 3.902 -5.001 3.331) 7.165 14.729 ( 0.781 -2.056 -8.734) 9.007 14.729 ( 0.781 -2.056 8.734) 9.007 16.606 ( 0.213 -4.796 -4.807) 6.794 16.606 ( 0.213 -4.796 4.807) 6.794 18.035 ( -1.096 10.271 -3.117) 10.790 18.035 ( -1.096 10.271 3.117) 10.790 37.933 ( 1.698 7.168 -2.545) 7.793 37.933 ( 1.698 7.168 2.545) 7.793 40.834 ( -0.083 -2.348 -1.282) 2.676 40.834 ( -0.083 -2.348 1.282) 2.676 58.556 ( -4.243 22.435 -2.839) 23.009 58.556 ( -4.243 22.435 2.839) 23.009 ======================= Grid point 1207 (343/378) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( 0.000 8.806 -15.008) 17.401 3.728 ( 0.000 8.806 15.008) 17.401 4.114 ( 0.000 3.369 -18.659) 18.960 4.114 ( 0.000 3.369 18.659) 18.960 7.466 ( 0.000 28.738 -16.147) 32.963 7.466 ( 0.000 28.738 16.147) 32.963 9.673 ( 0.000 -5.830 -11.823) 13.182 9.673 ( 0.000 -5.830 11.823) 13.182 9.838 ( 0.000 -2.049 -7.471) 7.746 9.838 ( 0.000 -2.049 7.471) 7.746 13.129 ( 0.000 -1.196 -10.589) 10.657 13.129 ( 0.000 -1.196 10.589) 10.657 13.243 ( 0.000 -8.069 -22.336) 23.749 13.243 ( 0.000 -8.069 22.336) 23.749 16.829 ( 0.000 11.286 -22.098) 24.813 16.829 ( 0.000 11.286 22.098) 24.813 18.914 ( 0.000 -11.196 -18.101) 21.283 18.914 ( 0.000 -11.196 18.101) 21.283 36.736 ( 0.000 1.278 -5.250) 5.404 36.736 ( 0.000 1.278 5.250) 5.404 40.938 ( 0.000 -3.671 -11.082) 11.674 40.938 ( 0.000 -3.671 11.082) 11.674 62.250 ( 0.000 9.126 -41.397) 42.391 62.250 ( 0.000 9.126 41.397) 42.391 ======================= Grid point 1209 (344/378) ======================= q-point: ( 0.06 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.938 ( 18.719 8.318 -13.619) 24.598 3.938 ( 18.719 8.318 13.619) 24.598 4.125 ( 2.498 3.099 -16.679) 17.147 4.125 ( 2.498 3.099 16.679) 17.148 7.450 ( -1.282 27.132 -15.448) 31.248 7.450 ( -1.282 27.132 15.448) 31.248 9.513 ( -8.938 -4.288 -9.681) 13.856 9.513 ( -8.938 -4.288 9.681) 13.856 10.101 ( 18.829 -3.075 -8.165) 20.752 10.101 ( 18.829 -3.075 8.165) 20.752 13.059 ( -4.236 0.903 -15.379) 15.977 13.059 ( -4.236 0.903 15.379) 15.977 13.356 ( 8.566 -9.704 -14.460) 19.407 13.356 ( 8.566 -9.704 14.460) 19.407 16.808 ( -1.992 10.321 -21.608) 24.029 16.808 ( -1.992 10.321 21.608) 24.029 18.875 ( -3.816 -10.479 -18.096) 21.257 18.875 ( -3.816 -10.479 18.096) 21.257 36.790 ( 5.353 1.439 -5.333) 7.692 36.790 ( 5.353 1.439 5.333) 7.692 40.930 ( -0.799 -3.582 -10.807) 11.413 40.930 ( -0.799 -3.582 10.807) 11.413 62.093 ( -15.399 10.059 -38.847) 42.982 62.093 ( -15.399 10.059 38.847) 42.982 ======================= Grid point 1211 (345/378) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( 2.585 3.251 -16.230) 16.753 4.112 ( 2.585 3.251 16.230) 16.753 4.503 ( 29.810 7.011 -13.052) 33.289 4.503 ( 29.810 7.011 13.052) 33.289 7.438 ( 0.826 21.988 -13.300) 25.711 7.438 ( 0.826 21.988 13.300) 25.711 9.362 ( -6.414 -3.582 -8.426) 11.179 9.362 ( -6.414 -3.582 8.426) 11.179 10.509 ( 21.393 -1.943 -8.300) 23.029 10.509 ( 21.393 -1.943 8.300) 23.029 12.994 ( -2.098 2.765 -17.677) 18.014 12.994 ( -2.098 2.765 17.677) 18.014 13.552 ( 11.083 -10.806 -10.131) 18.500 13.552 ( 11.083 -10.806 10.131) 18.500 16.753 ( -3.438 7.693 -20.157) 21.847 16.753 ( -3.438 7.693 20.157) 21.847 18.771 ( -6.359 -8.379 -17.892) 20.754 18.771 ( -6.359 -8.379 17.892) 20.754 36.940 ( 9.621 1.938 -5.499) 11.249 36.940 ( 9.621 1.938 5.499) 11.249 40.908 ( -1.386 -3.354 -10.032) 10.668 40.908 ( -1.386 -3.354 10.032) 10.668 61.670 ( -26.351 12.431 -32.453) 43.613 61.670 ( -26.351 12.431 32.453) 43.613 ======================= Grid point 1213 (346/378) ======================= q-point: ( 0.18 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.185 ( 5.061 1.391 -13.499) 14.483 4.185 ( 5.061 1.391 13.499) 14.483 5.079 ( 26.029 9.427 -12.538) 30.390 5.079 ( 26.029 9.427 12.538) 30.390 7.514 ( 7.556 12.327 -9.603) 17.357 7.514 ( 7.556 12.327 9.603) 17.357 9.260 ( -3.799 -2.966 -6.757) 8.300 9.260 ( -3.799 -2.966 6.757) 8.300 10.906 ( 17.500 1.667 -10.358) 20.403 10.906 ( 17.500 1.667 10.358) 20.403 12.987 ( 1.820 0.530 -16.496) 16.605 12.987 ( 1.820 0.530 16.496) 16.605 13.792 ( 13.072 -9.247 -8.070) 17.931 13.792 ( 13.072 -9.247 8.070) 17.931 16.678 ( -3.991 4.197 -17.740) 18.661 16.678 ( -3.991 4.197 17.740) 18.661 18.635 ( -7.105 -5.114 -17.027) 19.145 18.635 ( -7.105 -5.114 17.027) 19.145 37.159 ( 12.128 2.789 -5.565) 13.633 37.159 ( 12.128 2.789 5.565) 13.633 40.878 ( -1.637 -3.079 -8.872) 9.533 40.878 ( -1.637 -3.079 8.872) 9.533 61.092 ( -30.970 15.390 -24.828) 42.572 61.092 ( -30.970 15.390 24.828) 42.572 ======================= Grid point 1215 (347/378) ======================= q-point: ( 0.24 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.313 ( 7.684 -0.728 -10.217) 12.805 4.313 ( 7.684 -0.728 10.217) 12.805 5.473 ( 13.237 13.615 -12.749) 22.872 5.473 ( 13.237 13.615 12.749) 22.872 7.752 ( 16.173 -0.525 -5.197) 16.996 7.752 ( 16.173 -0.525 5.197) 16.996 9.215 ( -0.648 -2.641 -4.788) 5.507 9.215 ( -0.648 -2.641 4.788) 5.507 11.166 ( 8.305 8.078 -15.106) 19.037 11.166 ( 8.305 8.078 15.106) 19.037 13.079 ( 7.589 -5.541 -12.651) 15.759 13.079 ( 7.589 -5.541 12.651) 15.759 14.063 ( 14.028 -6.330 -7.974) 17.334 14.063 ( 14.028 -6.330 7.974) 17.334 16.602 ( -3.515 0.997 -14.361) 14.819 16.602 ( -3.515 0.997 14.361) 14.819 18.500 ( -6.382 -1.190 -15.124) 16.458 18.500 ( -6.382 -1.190 15.124) 16.458 37.408 ( 12.713 3.934 -5.378) 14.354 37.408 ( 12.713 3.934 5.378) 14.354 40.846 ( -1.543 -2.850 -7.458) 8.132 40.846 ( -1.543 -2.850 7.458) 8.132 60.480 ( -30.025 18.312 -17.992) 39.503 60.480 ( -30.025 18.312 17.992) 39.503 ======================= Grid point 1217 (348/378) ======================= q-point: ( 0.29 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.479 ( 8.854 -2.782 -6.980) 11.613 4.479 ( 8.854 -2.782 6.980) 11.613 5.616 ( 2.037 15.254 -12.283) 19.690 5.616 ( 2.037 15.254 12.283) 19.690 8.117 ( 19.414 -10.667 -2.178) 22.258 8.117 ( 19.414 -10.667 2.178) 22.258 9.235 ( 2.688 -3.218 -3.040) 5.179 9.235 ( 2.688 -3.218 3.040) 5.179 11.235 ( -0.882 14.110 -19.239) 23.875 11.235 ( -0.882 14.110 19.239) 23.875 13.282 ( 12.473 -10.856 -8.896) 18.777 13.282 ( 12.473 -10.856 8.896) 18.777 14.331 ( 12.462 -4.264 -9.149) 16.037 14.331 ( 12.462 -4.264 9.149) 16.037 16.546 ( -2.015 -0.831 -10.368) 10.595 16.546 ( -2.015 -0.831 10.368) 10.595 18.387 ( -4.926 2.698 -12.242) 13.469 18.387 ( -4.926 2.698 12.242) 13.469 37.651 ( 11.577 5.235 -4.887) 13.613 37.651 ( 11.577 5.235 4.887) 13.613 40.818 ( -1.202 -2.728 -5.901) 6.612 40.818 ( -1.202 -2.728 5.901) 6.612 59.927 ( -25.408 20.937 -12.637) 35.265 59.927 ( -25.408 20.937 12.637) 35.265 ======================= Grid point 1219 (349/378) ======================= q-point: ( 0.35 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.652 ( 8.392 -4.318 -4.279) 10.362 4.652 ( 8.392 -4.318 4.279) 10.362 5.592 ( -3.553 13.342 -10.743) 17.494 5.592 ( -3.553 13.342 10.743) 17.494 8.477 ( 16.144 -15.318 -1.576) 22.310 8.477 ( 16.144 -15.318 1.576) 22.310 9.316 ( 5.180 -5.176 -2.789) 7.836 9.316 ( 5.180 -5.176 2.789) 7.836 11.160 ( -5.917 17.106 -20.309) 27.204 11.160 ( -5.917 17.106 20.309) 27.204 13.550 ( 13.990 -12.496 -6.713) 19.923 13.550 ( 13.990 -12.496 6.713) 19.923 14.536 ( 7.901 -4.051 -10.396) 13.672 14.536 ( 7.901 -4.051 10.396) 13.672 16.526 ( 0.022 -0.928 -6.861) 6.924 16.526 ( 0.022 -0.928 6.861) 6.924 18.305 ( -3.356 5.932 -8.857) 11.176 18.305 ( -3.356 5.932 8.857) 11.176 37.858 ( 9.113 6.490 -4.152) 11.933 37.858 ( 9.113 6.490 4.152) 11.933 40.799 ( -0.766 -2.714 -4.287) 5.131 40.799 ( -0.766 -2.714 4.287) 5.131 59.486 ( -18.852 23.146 -8.567) 31.057 59.486 ( -18.852 23.146 8.567) 31.057 ======================= Grid point 1221 (350/378) ======================= q-point: ( 0.41 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.802 ( 6.494 -5.136 -2.553) 8.665 4.802 ( 6.494 -5.136 2.553) 8.665 5.504 ( -4.773 10.240 -8.666) 14.238 5.504 ( -4.773 10.240 8.666) 14.238 8.739 ( 10.088 -16.313 -2.138) 19.299 8.739 ( 10.088 -16.313 2.138) 19.299 9.425 ( 5.347 -7.601 -3.983) 10.111 9.425 ( 5.347 -7.601 3.983) 10.111 11.031 ( -6.381 17.813 -19.031) 26.836 11.031 ( -6.381 17.813 19.031) 26.836 13.811 ( 11.699 -12.019 -5.169) 17.551 13.811 ( 11.699 -12.019 5.169) 17.551 14.638 ( 2.561 -4.924 -10.523) 11.897 14.638 ( 2.561 -4.924 10.523) 11.897 16.541 ( 1.243 0.008 -5.091) 5.241 16.541 ( 1.243 0.008 5.091) 5.241 18.253 ( -1.926 8.153 -5.502) 10.023 18.253 ( -1.926 8.153 5.502) 10.023 38.006 ( 5.773 7.483 -3.335) 10.022 38.006 ( 5.773 7.483 3.335) 10.022 40.787 ( -0.381 -2.762 -2.688) 3.873 40.787 ( -0.381 -2.762 2.688) 3.873 59.185 ( -11.476 24.788 -5.391) 27.842 59.185 ( -11.476 24.788 5.391) 27.842 ======================= Grid point 1223 (351/378) ======================= q-point: ( 0.47 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.897 ( 2.711 -5.398 -1.109) 6.142 4.897 ( 2.711 -5.398 1.109) 6.142 5.427 ( -2.346 8.079 -6.528) 10.648 5.427 ( -2.346 8.079 6.528) 10.648 8.873 ( 3.410 -16.407 -2.588) 16.956 8.873 ( 3.410 -16.407 2.588) 16.956 9.506 ( 2.340 -8.820 -5.063) 10.436 9.506 ( 2.340 -8.820 5.063) 10.436 10.934 ( -2.784 17.687 -17.324) 24.914 10.934 ( -2.784 17.687 17.324) 24.914 13.984 ( 4.922 -11.386 -2.915) 12.743 13.984 ( 4.922 -11.386 2.915) 12.743 14.656 ( -0.057 -5.640 -9.356) 10.925 14.656 ( -0.057 -5.640 9.356) 10.925 16.563 ( 0.709 0.816 -4.648) 4.772 16.563 ( 0.709 0.816 4.648) 4.772 18.228 ( -0.627 9.256 -2.718) 9.667 18.228 ( -0.627 9.256 2.718) 9.667 38.084 ( 1.971 8.031 -2.737) 8.711 38.084 ( 1.971 8.031 2.737) 8.711 40.783 ( -0.109 -2.808 -1.282) 3.089 40.783 ( -0.109 -2.808 1.282) 3.089 59.033 ( -3.841 25.673 -3.132) 26.147 59.033 ( -3.841 25.673 3.132) 26.147 ======================= Grid point 1241 (352/378) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.889 ( 0.000 7.431 -10.480) 12.847 3.889 ( 0.000 7.431 10.480) 12.847 4.208 ( 0.000 5.757 -13.063) 14.275 4.208 ( 0.000 5.757 13.063) 14.275 7.954 ( 0.000 20.900 -13.001) 24.614 7.954 ( 0.000 20.900 13.001) 24.614 9.656 ( 0.000 3.523 -8.501) 9.202 9.656 ( 0.000 3.523 8.501) 9.202 9.800 ( 0.000 -1.849 -8.186) 8.392 9.800 ( 0.000 -1.849 8.186) 8.392 13.034 ( 0.000 -12.553 -22.996) 26.200 13.034 ( 0.000 -12.553 22.996) 26.200 13.107 ( 0.000 -1.030 -9.098) 9.156 13.107 ( 0.000 -1.030 9.098) 9.156 17.032 ( 0.000 9.132 -24.274) 25.935 17.032 ( 0.000 9.132 24.274) 25.935 18.703 ( 0.000 -9.929 -18.528) 21.021 18.703 ( 0.000 -9.929 18.528) 21.021 36.759 ( 0.000 1.108 -4.317) 4.457 36.759 ( 0.000 1.108 4.317) 4.457 40.868 ( 0.000 -3.434 -7.610) 8.349 40.868 ( 0.000 -3.434 7.610) 8.349 62.388 ( 0.000 5.100 -34.199) 34.577 62.388 ( 0.000 5.100 34.199) 34.577 ======================= Grid point 1243 (353/378) ======================= q-point: ( 0.06 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.082 ( 16.336 6.282 -7.753) 19.142 4.082 ( 16.336 6.282 7.753) 19.142 4.218 ( 3.231 5.845 -10.230) 12.217 4.218 ( 3.231 5.845 10.230) 12.217 7.913 ( -3.836 20.013 -12.464) 23.886 7.913 ( -3.836 20.013 12.464) 23.886 9.514 ( -7.792 3.873 -7.132) 11.251 9.514 ( -7.792 3.873 7.132) 11.251 10.052 ( 18.355 -2.111 -8.044) 20.151 10.052 ( 18.355 -2.111 8.044) 20.151 12.989 ( -2.633 -9.156 -20.934) 23.000 12.989 ( -2.633 -9.156 20.934) 23.000 13.204 ( 7.792 -3.982 -10.149) 13.401 13.204 ( 7.792 -3.982 10.149) 13.401 16.997 ( -3.455 8.615 -23.936) 25.673 16.997 ( -3.455 8.615 23.936) 25.673 18.676 ( -2.581 -9.429 -18.376) 20.814 18.676 ( -2.581 -9.429 18.376) 20.814 36.816 ( 5.671 1.262 -4.335) 7.249 36.816 ( 5.671 1.262 4.335) 7.249 40.861 ( -0.633 -3.352 -7.450) 8.194 40.861 ( -0.633 -3.352 7.450) 8.194 62.250 ( -13.590 6.033 -32.311) 35.568 62.250 ( -13.590 6.033 32.311) 35.568 ======================= Grid point 1245 (354/378) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.185 ( 0.961 3.971 -11.220) 11.941 4.185 ( 0.961 3.971 11.220) 11.941 4.633 ( 30.079 6.032 -9.088) 31.996 4.633 ( 30.079 6.032 9.088) 31.996 7.820 ( -5.043 16.945 -10.883) 20.760 7.820 ( -5.043 16.945 10.883) 20.760 9.381 ( -5.639 5.068 -6.664) 10.094 9.381 ( -5.639 5.068 6.664) 10.094 10.463 ( 22.378 -2.926 -8.620) 24.159 10.463 ( 22.378 -2.926 8.620) 24.159 12.944 ( -1.890 -7.849 -21.419) 22.890 12.944 ( -1.890 -7.849 21.419) 22.890 13.398 ( 11.626 -4.247 -9.402) 15.543 13.398 ( 11.626 -4.247 9.402) 15.543 16.901 ( -5.944 7.181 -22.759) 24.594 16.901 ( -5.944 7.181 22.759) 24.594 18.609 ( -3.958 -7.909 -17.760) 19.840 18.609 ( -3.958 -7.909 17.760) 19.840 36.977 ( 10.264 1.720 -4.354) 11.281 36.977 ( 10.264 1.720 4.354) 11.281 40.844 ( -1.121 -3.137 -6.991) 7.744 40.844 ( -1.121 -3.137 6.991) 7.744 61.875 ( -23.471 8.449 -27.468) 37.105 61.875 ( -23.471 8.449 27.468) 37.105 ======================= Grid point 1247 (355/378) ======================= q-point: ( 0.18 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.221 ( 3.007 2.182 -9.699) 10.386 4.221 ( 3.007 2.182 9.699) 10.386 5.240 ( 29.166 6.872 -9.164) 31.335 5.240 ( 29.166 6.872 9.164) 31.335 7.735 ( -2.957 10.226 -8.186) 13.428 7.735 ( -2.957 10.226 8.186) 13.428 9.291 ( -3.433 5.611 -6.333) 9.131 9.291 ( -3.433 5.611 6.333) 9.131 10.903 ( 21.162 -1.983 -10.163) 23.559 10.903 ( 21.162 -1.983 10.163) 23.559 12.918 ( -0.541 -7.140 -20.440) 21.658 12.918 ( -0.541 -7.140 20.440) 21.658 13.658 ( 14.386 -4.346 -8.955) 17.494 13.658 ( 14.386 -4.346 8.955) 17.494 16.773 ( -6.663 5.291 -20.401) 22.104 16.773 ( -6.663 5.291 20.401) 22.104 18.530 ( -3.838 -5.449 -16.352) 17.658 18.530 ( -3.838 -5.449 16.352) 17.658 37.211 ( 13.070 2.463 -4.290) 13.974 37.211 ( 13.070 2.463 4.290) 13.974 40.818 ( -1.368 -2.867 -6.281) 7.038 40.818 ( -1.368 -2.867 6.281) 7.038 61.357 ( -27.846 11.536 -21.463) 37.002 61.357 ( -27.846 11.536 21.463) 37.002 ======================= Grid point 1249 (356/378) ======================= q-point: ( 0.24 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.306 ( 5.425 -0.053 -7.586) 9.326 4.306 ( 5.425 -0.053 7.586) 9.326 5.719 ( 17.781 11.141 -9.997) 23.243 5.719 ( 17.781 11.141 9.997) 23.243 7.732 ( 3.354 -1.345 -4.824) 6.027 7.732 ( 3.354 -1.345 4.824) 6.027 9.249 ( -0.757 5.735 -6.142) 8.437 9.249 ( -0.757 5.735 6.142) 8.437 11.265 ( 14.549 1.838 -13.347) 19.829 11.265 ( 14.549 1.838 13.347) 19.829 12.939 ( 3.181 -8.143 -17.279) 19.365 12.939 ( 3.181 -8.143 17.279) 19.365 13.953 ( 14.914 -4.905 -9.097) 18.145 13.953 ( 14.914 -4.905 9.097) 18.145 16.651 ( -5.302 3.767 -16.721) 17.941 16.651 ( -5.302 3.767 16.721) 17.941 18.463 ( -2.797 -2.392 -14.031) 14.505 18.463 ( -2.797 -2.392 14.031) 14.505 37.481 ( 13.858 3.425 -4.071) 14.844 37.481 ( 13.858 3.425 4.071) 14.844 40.791 ( -1.352 -2.631 -5.379) 6.138 40.791 ( -1.352 -2.631 5.379) 6.138 60.805 ( -27.128 14.614 -15.837) 34.645 60.805 ( -27.128 14.614 15.837) 34.645 ======================= Grid point 1251 (357/378) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.430 ( 6.935 -2.204 -5.412) 9.068 4.430 ( 6.935 -2.204 5.412) 9.068 5.918 ( 2.741 15.450 -10.378) 18.813 5.918 ( 2.741 15.450 10.378) 18.813 7.876 ( 10.626 -13.800 -2.783) 17.639 7.876 ( 10.626 -13.800 2.783) 17.639 9.261 ( 2.028 5.642 -6.403) 8.772 9.261 ( 2.028 5.642 6.403) 8.772 11.457 ( 4.627 8.125 -17.161) 19.543 11.457 ( 4.627 8.125 17.161) 19.543 13.061 ( 9.245 -11.133 -12.603) 19.190 13.061 ( 9.245 -11.133 12.603) 19.190 14.227 ( 12.202 -6.082 -9.845) 16.817 14.227 ( 12.202 -6.082 9.845) 16.817 16.574 ( -2.318 3.326 -12.134) 12.793 16.574 ( -2.318 3.326 12.134) 12.793 18.420 ( -1.618 0.754 -11.070) 11.213 18.420 ( -1.618 0.754 11.070) 11.213 37.748 ( 12.768 4.493 -3.682) 14.028 37.748 ( 12.768 4.493 3.682) 14.028 40.766 ( -1.125 -2.490 -4.340) 5.128 40.766 ( -1.125 -2.490 4.340) 5.128 60.305 ( -22.918 17.343 -11.261) 30.869 60.305 ( -22.918 17.343 11.261) 30.869 ======================= Grid point 1253 (358/378) ======================= q-point: ( 0.35 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.572 ( 7.204 -3.767 -3.571) 8.880 4.572 ( 7.204 -3.767 3.571) 8.880 5.871 ( -6.187 15.021 -9.254) 18.696 5.871 ( -6.187 15.021 9.254) 18.696 8.111 ( 11.925 -21.366 -1.957) 24.546 8.111 ( 11.925 -21.366 1.957) 24.546 9.325 ( 4.232 5.419 -7.249) 9.991 9.325 ( 4.232 5.419 7.249) 9.991 11.466 ( -2.853 13.846 -19.052) 23.724 11.466 ( -2.853 13.846 19.052) 23.724 13.288 ( 12.917 -13.934 -8.663) 20.881 13.288 ( 12.917 -13.934 8.663) 20.881 14.419 ( 6.991 -7.439 -10.400) 14.573 14.419 ( 6.991 -7.439 10.400) 14.573 16.561 ( 0.835 3.938 -7.781) 8.761 16.561 ( 0.835 3.938 7.781) 8.761 18.397 ( -0.772 3.505 -7.909) 8.685 18.397 ( -0.772 3.505 7.909) 8.685 37.977 ( 10.161 5.515 -3.168) 11.988 37.977 ( 10.161 5.515 3.168) 11.988 40.747 ( -0.783 -2.455 -3.217) 4.122 40.747 ( -0.783 -2.455 3.217) 4.122 59.909 ( -16.889 19.573 -7.687) 26.971 59.909 ( -16.889 19.573 7.687) 26.971 ======================= Grid point 1255 (359/378) ======================= q-point: ( 0.41 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.707 ( 6.080 -4.501 -2.334) 7.917 4.707 ( 6.080 -4.501 2.334) 7.917 5.722 ( -7.764 11.988 -7.487) 16.126 5.722 ( -7.764 11.988 7.487) 16.126 8.315 ( 8.177 -24.900 -1.153) 26.234 8.315 ( 8.177 -24.900 1.153) 26.234 9.417 ( 4.663 5.000 -8.169) 10.652 9.417 ( 4.663 5.000 8.169) 10.652 11.380 ( -4.905 17.623 -18.572) 26.068 11.380 ( -4.905 17.623 18.572) 26.068 13.537 ( 11.290 -15.832 -5.866) 20.311 13.537 ( 11.290 -15.832 5.866) 20.311 14.506 ( 2.043 -8.088 -9.463) 12.615 14.506 ( 2.043 -8.088 9.463) 12.615 16.595 ( 2.169 4.842 -4.934) 7.245 16.595 ( 2.169 4.842 4.934) 7.245 18.386 ( -0.317 5.506 -4.855) 7.348 18.386 ( -0.317 5.506 4.855) 7.348 38.143 ( 6.494 6.324 -2.638) 9.441 38.143 ( 6.494 6.324 2.638) 9.441 40.735 ( -0.434 -2.490 -2.075) 3.271 40.735 ( -0.434 -2.490 2.076) 3.271 59.641 ( -10.197 21.181 -4.811) 23.995 59.641 ( -10.197 21.181 4.811) 23.995 ======================= Grid point 1257 (360/378) ======================= q-point: ( 0.47 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.798 ( 2.672 -4.618 -1.057) 5.439 4.798 ( 2.672 -4.618 1.057) 5.439 5.601 ( -3.609 9.592 -5.727) 11.741 5.601 ( -3.609 9.592 5.727) 11.741 8.424 ( 2.793 -26.284 -0.638) 26.440 8.424 ( 2.793 -26.284 0.638) 26.440 9.490 ( 2.128 4.505 -8.566) 9.910 9.490 ( 2.128 4.505 8.566) 9.910 11.303 ( -2.307 19.628 -17.326) 26.282 11.303 ( -2.307 19.628 17.326) 26.282 13.702 ( 4.641 -17.183 -2.659) 17.996 13.702 ( 4.641 -17.183 2.659) 17.996 14.520 ( -0.037 -7.851 -6.869) 10.432 14.520 ( -0.038 -7.851 6.869) 10.432 16.630 ( 1.073 5.387 -3.782) 6.669 16.630 ( 1.073 5.387 3.782) 6.669 18.383 ( -0.086 6.550 -2.204) 6.912 18.383 ( -0.086 6.550 2.204) 6.912 38.230 ( 2.228 6.773 -2.274) 7.484 38.230 ( 2.228 6.773 2.274) 7.484 40.730 ( -0.134 -2.531 -1.088) 2.759 40.730 ( -0.134 -2.531 1.088) 2.759 59.506 ( -3.395 22.031 -2.655) 22.449 59.506 ( -3.395 22.031 2.655) 22.449 ======================= Grid point 1275 (361/378) ======================= q-point: ( 0.00 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( 0.000 4.220 -6.139) 7.450 4.004 ( 0.000 4.220 6.139) 7.450 4.311 ( 0.000 4.234 -7.891) 8.955 4.311 ( 0.000 4.234 7.891) 8.955 8.262 ( 0.000 10.722 -7.583) 13.132 8.262 ( 0.000 10.722 7.583) 13.132 9.763 ( 0.000 5.871 -8.496) 10.327 9.763 ( 0.000 5.871 8.496) 10.327 9.770 ( 0.000 -1.101 -8.462) 8.534 9.770 ( 0.000 -1.101 8.462) 8.534 12.804 ( 0.000 -9.877 -22.624) 24.686 12.804 ( 0.000 -9.877 22.624) 24.686 13.091 ( 0.000 -0.592 -7.883) 7.906 13.091 ( 0.000 -0.592 7.883) 7.906 17.166 ( 0.000 4.571 -26.252) 26.647 17.166 ( 0.000 4.571 26.252) 26.647 18.551 ( 0.000 -5.428 -18.670) 19.443 18.551 ( 0.000 -5.428 18.670) 19.443 36.777 ( 0.000 0.641 -3.477) 3.535 36.777 ( 0.000 0.641 3.477) 3.535 40.813 ( 0.000 -2.074 -4.551) 5.002 40.813 ( 0.000 -2.074 4.551) 5.002 62.454 ( 0.000 1.935 -19.386) 19.482 62.454 ( 0.000 1.935 19.386) 19.482 ======================= Grid point 1277 (362/378) ======================= q-point: ( 0.06 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.177 ( 13.748 3.463 -3.822) 14.683 4.177 ( 13.748 3.463 3.822) 14.683 4.322 ( 4.096 4.222 -5.411) 7.993 4.322 ( 4.096 4.222 5.411) 7.993 8.212 ( -4.829 10.610 -7.360) 13.786 8.212 ( -4.829 10.610 7.360) 13.786 9.619 ( -6.001 5.529 -5.685) 9.945 9.619 ( -6.001 5.529 5.685) 9.945 10.020 ( 16.242 -1.124 -6.393) 17.491 10.020 ( 16.242 -1.124 6.393) 17.491 12.782 ( -1.527 -9.563 -21.536) 23.613 12.782 ( -1.527 -9.563 21.536) 23.613 13.172 ( 7.445 -0.576 -7.329) 10.463 13.172 ( 7.445 -0.576 7.329) 10.463 17.126 ( -3.968 4.522 -25.854) 26.545 17.126 ( -3.968 4.522 25.854) 26.545 18.530 ( -1.950 -5.292 -18.325) 19.173 18.530 ( -1.950 -5.292 18.325) 19.173 36.836 ( 5.920 0.735 -3.459) 6.896 36.836 ( 5.920 0.735 3.459) 6.896 40.808 ( -0.506 -2.025 -4.478) 4.940 40.808 ( -0.506 -2.025 4.478) 4.940 62.331 ( -12.117 2.512 -18.412) 22.184 62.331 ( -12.117 2.512 18.412) 22.184 ======================= Grid point 1279 (363/378) ======================= q-point: ( 0.12 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.253 ( -0.210 2.741 -6.237) 6.816 4.253 ( -0.210 2.741 6.237) 6.816 4.725 ( 29.344 3.290 -5.460) 30.028 4.725 ( 29.344 3.290 5.460) 30.028 8.081 ( -8.143 9.602 -6.907) 14.360 8.081 ( -8.143 9.602 6.907) 14.360 9.514 ( -4.726 7.081 -7.478) 11.331 9.514 ( -4.726 7.081 7.478) 11.331 10.399 ( 21.369 -3.380 -8.314) 23.177 10.399 ( 21.369 -3.380 8.314) 23.177 12.761 ( -0.449 -8.702 -21.171) 22.894 12.761 ( -0.449 -8.702 21.171) 22.894 13.362 ( 11.344 -0.515 -7.885) 13.825 13.362 ( 11.344 -0.515 7.885) 13.825 17.016 ( -6.926 4.288 -24.497) 25.816 17.016 ( -6.926 4.288 24.497) 25.816 18.483 ( -2.568 -4.750 -17.302) 18.125 18.483 ( -2.568 -4.750 17.302) 18.125 37.004 ( 10.749 1.009 -3.387) 11.315 37.004 ( 10.749 1.009 3.387) 11.315 40.793 ( -0.912 -1.897 -4.258) 4.750 40.793 ( -0.912 -1.897 4.258) 4.750 61.995 ( -21.081 4.024 -15.891) 26.704 61.995 ( -21.081 4.024 15.891) 26.704 ======================= Grid point 1281 (364/378) ======================= q-point: ( 0.18 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.260 ( 1.249 1.567 -5.584) 5.932 4.260 ( 1.249 1.567 5.584) 5.932 5.339 ( 30.913 3.342 -6.352) 31.735 5.339 ( 30.913 3.342 6.352) 31.735 7.898 ( -10.004 6.222 -6.283) 13.352 7.898 ( -10.004 6.222 6.283) 13.352 9.435 ( -3.026 7.804 -8.849) 12.180 9.435 ( -3.026 7.804 8.849) 12.180 10.836 ( 22.032 -4.281 -10.331) 24.708 10.836 ( 22.032 -4.281 10.331) 24.708 12.766 ( 0.972 -6.873 -20.760) 21.890 12.766 ( 0.972 -6.873 20.760) 21.890 13.609 ( 13.356 -1.226 -9.077) 16.195 13.609 ( 13.356 -1.226 9.077) 16.195 16.866 ( -7.738 3.838 -21.919) 23.560 16.866 ( -7.738 3.838 21.919) 23.560 18.438 ( -1.742 -3.625 -15.604) 16.113 18.438 ( -1.742 -3.625 15.604) 16.113 37.250 ( 13.752 1.441 -3.218) 14.197 37.250 ( 13.752 1.441 3.218) 14.197 40.773 ( -1.149 -1.732 -3.896) 4.416 40.773 ( -1.149 -1.732 3.896) 4.416 61.528 ( -25.209 5.983 -12.728) 28.867 61.528 ( -25.209 5.983 12.728) 28.867 ======================= Grid point 1283 (365/378) ======================= q-point: ( 0.24 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.307 ( 3.525 0.129 -4.494) 5.713 4.307 ( 3.525 0.129 4.494) 5.713 5.888 ( 22.993 6.062 -7.507) 24.935 5.888 ( 22.993 6.062 7.507) 24.935 7.707 ( -8.355 -1.060 -5.605) 10.117 7.707 ( -8.355 -1.060 5.605) 10.117 9.399 ( -0.593 8.195 -9.440) 12.514 9.399 ( -0.593 8.195 9.440) 12.514 11.243 ( 18.347 -3.300 -12.279) 22.322 11.243 ( 18.347 -3.300 12.279) 22.322 12.802 ( 2.808 -5.153 -18.911) 19.801 12.802 ( 2.808 -5.153 18.911) 19.801 13.877 ( 13.271 -2.818 -10.039) 16.877 13.877 ( 13.271 -2.818 10.039) 16.877 16.727 ( -5.837 3.466 -18.143) 19.372 16.727 ( -5.837 3.466 18.143) 19.372 18.417 ( -0.333 -2.007 -13.284) 13.439 18.417 ( -0.333 -2.007 13.284) 13.439 37.535 ( 14.665 1.986 -2.928) 15.086 37.535 ( 14.665 1.986 2.928) 15.086 40.749 ( -1.190 -1.584 -3.401) 3.936 40.749 ( -1.190 -1.584 3.401) 3.936 61.027 ( -24.677 7.956 -9.740) 27.697 61.027 ( -24.677 7.956 9.740) 27.697 ======================= Grid point 1285 (366/378) ======================= q-point: ( 0.29 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.396 ( 5.350 -1.226 -3.435) 6.475 4.396 ( 5.350 -1.226 3.435) 6.475 6.188 ( 6.198 11.445 -8.188) 15.377 6.188 ( 6.198 11.445 8.188) 15.377 7.617 ( 0.348 -11.593 -4.861) 12.575 7.617 ( 0.348 -11.593 4.861) 12.575 9.412 ( 1.875 8.179 -9.330) 12.548 9.412 ( 1.875 8.179 9.330) 12.548 11.538 ( 10.979 0.712 -13.910) 17.735 11.538 ( 10.979 0.712 13.910) 17.735 12.889 ( 6.241 -5.905 -15.130) 17.399 12.889 ( 6.241 -5.905 15.130) 17.399 14.116 ( 10.476 -4.681 -10.384) 15.475 14.116 ( 10.476 -4.681 10.384) 15.475 16.648 ( -2.013 3.535 -13.614) 14.208 16.648 ( -2.013 3.535 13.614) 14.208 18.423 ( 0.774 -0.210 -10.541) 10.571 18.423 ( 0.774 -0.210 10.541) 10.571 37.818 ( 13.598 2.581 -2.528) 14.069 37.818 ( 13.598 2.581 2.528) 14.069 40.727 ( -1.051 -1.491 -2.790) 3.333 40.727 ( -1.051 -1.491 2.790) 3.333 60.572 ( -20.844 9.701 -7.278) 24.116 60.572 ( -20.844 9.701 7.278) 24.116 ======================= Grid point 1287 (367/378) ======================= q-point: ( 0.35 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.513 ( 6.274 -2.184 -2.638) 7.148 4.513 ( 6.274 -2.184 2.638) 7.148 6.150 ( -8.170 12.739 -6.888) 16.627 6.150 ( -8.170 12.739 6.888) 16.627 7.713 ( 7.860 -17.729 -3.149) 19.648 7.713 ( 7.860 -17.729 3.149) 19.648 9.468 ( 3.609 7.553 -8.672) 12.053 9.468 ( 3.609 7.553 8.672) 12.053 11.673 ( 3.014 7.123 -14.636) 16.554 11.673 ( 3.014 7.123 14.636) 16.554 13.049 ( 9.498 -9.580 -10.526) 17.111 13.049 ( 9.498 -9.580 10.526) 17.111 14.281 ( 6.012 -5.958 -9.704) 12.877 14.281 ( 6.012 -5.958 9.704) 12.877 16.646 ( 1.560 3.988 -9.114) 10.070 16.646 ( 1.560 3.988 9.114) 10.070 18.443 ( 1.177 1.424 -7.608) 7.829 18.443 ( 1.177 1.424 7.608) 7.829 38.063 ( 10.890 3.146 -2.063) 11.522 38.063 ( 10.890 3.146 2.063) 11.522 40.708 ( -0.789 -1.465 -2.091) 2.672 40.708 ( -0.789 -1.465 2.091) 2.672 60.213 ( -15.291 11.109 -5.237) 19.613 60.213 ( -15.291 11.109 5.237) 19.613 ======================= Grid point 1289 (368/378) ======================= q-point: ( 0.41 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.636 ( 5.830 -2.599 -2.052) 6.705 4.636 ( 5.830 -2.599 2.052) 6.705 5.945 ( -10.761 10.084 -5.120) 15.611 5.945 ( -10.761 10.084 5.120) 15.611 7.869 ( 6.943 -18.847 -1.564) 20.146 7.869 ( 6.943 -18.847 1.564) 20.146 9.544 ( 3.702 6.422 -7.402) 10.475 9.544 ( 3.702 6.422 7.402) 10.475 11.685 ( -1.055 12.777 -13.918) 18.923 11.685 ( -1.055 12.777 13.918) 18.923 13.236 ( 8.615 -13.592 -6.842) 17.486 13.236 ( 8.615 -13.592 6.842) 17.486 14.359 ( 2.231 -6.102 -7.431) 9.870 14.359 ( 2.231 -6.102 7.431) 9.870 16.693 ( 2.723 4.436 -5.321) 7.443 16.693 ( 2.723 4.436 5.321) 7.443 18.465 ( 0.939 2.641 -4.634) 5.416 18.465 ( 0.939 2.641 4.634) 5.416 38.241 ( 6.998 3.595 -1.611) 8.031 38.241 ( 6.998 3.595 1.611) 8.031 40.696 ( -0.473 -1.485 -1.349) 2.061 40.696 ( -0.473 -1.485 1.349) 2.061 59.970 ( -9.175 12.110 -3.351) 15.558 59.970 ( -9.175 12.110 3.351) 15.558 ======================= Grid point 1291 (369/378) ======================= q-point: ( 0.47 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 612 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.726 ( 2.703 -2.624 -0.961) 3.888 4.726 ( 2.703 -2.624 0.961) 3.888 5.779 ( -4.897 7.962 -3.598) 10.016 5.779 ( -4.897 7.962 3.598) 10.016 7.966 ( 2.529 -18.842 -0.550) 19.018 7.966 ( 2.529 -18.842 0.550) 19.018 9.600 ( 1.606 5.441 -5.907) 8.190 9.600 ( 1.606 5.441 5.907) 8.190 11.660 ( -0.911 15.887 -12.671) 20.342 11.660 ( -0.911 15.887 12.671) 20.342 13.361 ( 3.447 -16.130 -4.305) 17.046 13.361 ( 3.447 -16.130 4.305) 17.046 14.382 ( 0.393 -5.581 -3.778) 6.750 14.382 ( 0.393 -5.581 3.778) 6.750 16.736 ( 1.259 4.664 -2.571) 5.472 16.736 ( 1.259 4.664 2.571) 5.472 18.478 ( 0.346 3.284 -1.753) 3.739 18.478 ( 0.346 3.284 1.753) 3.739 38.335 ( 2.408 3.846 -1.303) 4.721 38.335 ( 2.408 3.846 1.303) 4.721 40.689 ( -0.155 -1.511 -0.678) 1.664 40.689 ( -0.155 -1.511 0.678) 1.664 59.849 ( -3.041 12.634 -1.640) 13.098 59.849 ( -3.041 12.634 1.640) 13.098 ======================= Grid point 1309 (370/378) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.046 ( 0.000 0.000 -3.691) 3.691 4.046 ( 0.000 0.000 3.691) 3.691 4.355 ( 0.000 0.000 -5.378) 5.378 4.355 ( 0.000 0.000 5.378) 5.378 8.366 ( 0.000 0.000 -2.028) 2.028 8.366 ( 0.000 0.000 2.028) 2.028 9.759 ( 0.000 0.000 -8.511) 8.511 9.759 ( 0.000 0.000 8.511) 8.511 9.828 ( 0.000 0.000 -8.856) 8.856 9.828 ( 0.000 0.000 8.856) 8.856 12.700 ( 0.000 0.000 -22.250) 22.250 12.700 ( 0.000 0.000 22.250) 22.250 13.085 ( 0.000 0.000 -7.401) 7.401 13.085 ( 0.000 0.000 7.401) 7.401 17.210 ( 0.000 0.000 -27.323) 27.323 17.210 ( 0.000 0.000 27.323) 27.323 18.498 ( 0.000 0.000 -18.954) 18.954 18.498 ( 0.000 0.000 18.954) 18.954 36.783 ( 0.000 0.000 -3.113) 3.113 36.783 ( 0.000 0.000 3.113) 3.113 40.792 ( 0.000 0.000 -2.954) 2.954 40.792 ( 0.000 0.000 2.954) 2.954 62.471 ( 0.000 0.000 -3.838) 3.838 62.471 ( 0.000 0.000 3.838) 3.838 ======================= Grid point 1313 (371/378) ======================= q-point: ( 0.06 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.212 ( 13.005 0.000 -2.623) 13.267 4.212 ( 13.005 0.000 2.623) 13.267 4.365 ( 4.104 0.000 -3.755) 5.562 4.365 ( 4.104 0.000 3.755) 5.562 8.316 ( -4.922 0.000 -2.599) 5.566 8.316 ( -4.922 0.000 2.599) 5.566 9.680 ( -4.444 0.000 -3.538) 5.681 9.680 ( -4.444 0.000 3.538) 5.681 10.009 ( 14.254 0.000 -3.133) 14.595 10.009 ( 14.254 0.000 3.133) 14.595 12.681 ( -1.298 0.000 -21.189) 21.228 12.681 ( -1.298 0.000 21.189) 21.228 13.167 ( 7.570 0.000 -6.703) 10.112 13.167 ( 7.570 0.000 6.703) 10.112 17.170 ( -3.965 0.000 -26.829) 27.120 17.170 ( -3.965 0.000 26.829) 27.120 18.478 ( -1.843 0.000 -18.475) 18.566 18.478 ( -1.843 0.000 18.475) 18.566 36.843 ( 6.014 0.000 -3.084) 6.759 36.843 ( 6.014 0.000 3.084) 6.759 40.787 ( -0.458 0.000 -2.927) 2.962 40.787 ( -0.458 0.000 2.927) 2.962 62.354 ( -11.553 0.000 -3.840) 12.175 62.354 ( -11.553 0.000 3.840) 12.175 ======================= Grid point 1317 (372/378) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( -0.675 0.000 -3.533) 3.597 4.281 ( -0.675 0.000 3.533) 3.597 4.757 ( 28.933 0.000 -3.854) 29.189 4.757 ( 28.933 0.000 3.854) 29.189 8.177 ( -9.062 0.000 -3.928) 9.876 8.177 ( -9.062 0.000 3.928) 9.876 9.594 ( -4.096 0.000 -8.084) 9.062 9.594 ( -4.096 0.000 8.084) 9.062 10.359 ( 20.333 0.000 -7.735) 21.755 10.359 ( 20.333 0.000 7.735) 21.755 12.669 ( 0.283 0.000 -20.603) 20.605 12.669 ( 0.283 0.000 20.603) 20.605 13.358 ( 11.256 0.000 -7.286) 13.409 13.358 ( 11.256 0.000 7.286) 13.409 17.058 ( -7.027 0.000 -25.249) 26.209 17.058 ( -7.027 0.000 25.249) 26.209 18.435 ( -2.207 0.000 -17.191) 17.332 18.435 ( -2.207 0.000 17.191) 17.332 37.014 ( 10.929 0.000 -2.979) 11.328 37.014 ( 10.929 0.000 2.979) 11.328 40.774 ( -0.834 0.000 -2.833) 2.953 40.774 ( -0.834 0.000 2.833) 2.953 62.033 ( -20.157 0.000 -3.872) 20.526 62.033 ( -20.157 0.000 3.872) 20.526 ======================= Grid point 1321 (373/378) ======================= q-point: ( 0.18 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.276 ( 0.551 0.000 -3.025) 3.075 4.276 ( 0.551 0.000 3.025) 3.075 5.371 ( 31.426 0.000 -5.232) 31.859 5.371 ( 31.426 0.000 5.232) 31.859 7.961 ( -12.571 0.000 -5.266) 13.630 7.961 ( -12.571 0.000 5.266) 13.630 9.525 ( -2.690 0.000 -10.258) 10.605 9.525 ( -2.690 0.000 10.258) 10.605 10.783 ( 21.798 0.000 -10.414) 24.158 10.783 ( 21.798 0.000 10.414) 24.158 12.695 ( 2.214 0.000 -20.316) 20.436 12.695 ( 2.214 0.000 20.316) 20.436 13.598 ( 12.701 0.000 -9.037) 15.588 13.598 ( 12.701 0.000 9.037) 15.588 16.906 ( -7.920 0.000 -22.489) 23.842 16.906 ( -7.920 0.000 22.489) 23.842 18.401 ( -1.062 0.000 -15.359) 15.396 18.401 ( -1.062 0.000 15.359) 15.396 37.264 ( 14.001 0.000 -2.763) 14.271 37.264 ( 14.001 0.000 2.763) 14.271 40.755 ( -1.066 0.000 -2.650) 2.857 40.755 ( -1.066 0.000 2.650) 2.857 61.586 ( -24.181 0.000 -3.956) 24.502 61.586 ( -24.181 0.000 3.956) 24.502 ======================= Grid point 1325 (374/378) ======================= q-point: ( 0.24 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.309 ( 2.786 0.000 -2.418) 3.689 4.309 ( 2.786 0.000 2.418) 3.689 5.947 ( 25.428 0.000 -6.463) 26.236 5.947 ( 25.428 0.000 6.463) 26.236 7.696 ( -13.345 0.000 -6.107) 14.676 7.696 ( -13.345 0.000 6.107) 14.676 9.493 ( -0.484 0.000 -10.702) 10.713 9.493 ( -0.484 0.000 10.702) 10.713 11.197 ( 19.407 0.000 -11.785) 22.705 11.197 ( 19.407 0.000 11.785) 22.705 12.752 ( 3.498 0.000 -18.956) 19.276 12.752 ( 3.498 0.000 18.956) 19.276 13.849 ( 12.224 0.000 -10.437) 16.074 13.849 ( 12.224 0.000 10.437) 16.074 16.764 ( -5.899 0.000 -18.698) 19.606 16.764 ( -5.899 0.000 18.698) 19.606 18.396 ( 0.547 0.000 -13.099) 13.111 18.396 ( 0.547 0.000 13.099) 13.111 37.554 ( 14.955 0.000 -2.420) 15.149 37.554 ( 14.955 0.000 2.420) 15.149 40.733 ( -1.126 0.000 -2.359) 2.614 40.733 ( -1.126 0.000 2.359) 2.614 61.105 ( -23.718 0.000 -4.021) 24.056 61.105 ( -23.718 0.000 4.021) 24.056 ======================= Grid point 1329 (375/378) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.384 ( 4.743 0.000 -2.121) 5.196 4.384 ( 4.743 0.000 2.121) 5.196 6.311 ( 9.323 0.000 -6.943) 11.625 6.311 ( 9.323 0.000 6.943) 11.625 7.491 ( -5.363 -0.000 -5.863) 7.946 7.491 ( -5.363 0.000 5.863) 7.946 9.505 ( 1.627 0.000 -9.826) 9.960 9.505 ( 1.627 0.000 9.826) 9.960 11.532 ( 14.002 0.000 -11.843) 18.338 11.532 ( 14.002 0.000 11.843) 18.338 12.834 ( 4.971 0.000 -15.913) 16.671 12.834 ( 4.971 0.000 15.913) 16.671 14.068 ( 9.534 0.000 -10.543) 14.215 14.068 ( 9.534 0.000 10.543) 14.215 16.686 ( -1.846 0.000 -14.267) 14.386 16.686 ( -1.846 0.000 14.267) 14.386 18.420 ( 1.665 0.000 -10.481) 10.612 18.420 ( 1.665 0.000 10.481) 10.612 37.843 ( 13.893 0.000 -1.966) 14.031 37.843 ( 13.893 0.000 1.966) 14.031 40.712 ( -1.021 0.000 -1.958) 2.208 40.712 ( -1.021 0.000 1.958) 2.208 60.668 ( -20.036 0.000 -3.885) 20.409 60.668 ( -20.036 0.000 3.885) 20.409 ======================= Grid point 1333 (376/378) ======================= q-point: ( 0.35 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.492 ( 5.927 0.000 -2.078) 6.281 4.492 ( 5.927 0.000 2.078) 6.281 6.293 ( -9.186 0.000 -4.842) 10.384 6.293 ( -9.186 0.000 4.842) 10.384 7.518 ( 6.681 -0.000 -3.175) 7.397 7.518 ( 6.681 0.000 3.175) 7.397 9.552 ( 2.992 0.000 -8.063) 8.600 9.552 ( 2.992 0.000 8.063) 8.600 11.740 ( 6.965 0.000 -10.465) 12.571 11.740 ( 6.965 0.000 10.465) 12.571 12.952 ( 6.786 0.000 -11.668) 13.498 12.952 ( 6.786 0.000 11.668) 13.498 14.218 ( 5.651 0.000 -9.137) 10.744 14.218 ( 5.651 0.000 9.137) 10.744 16.688 ( 1.807 0.000 -9.741) 9.907 16.688 ( 1.807 0.000 9.741) 9.907 18.456 ( 1.915 0.000 -7.621) 7.858 18.456 ( 1.915 0.000 7.621) 7.858 38.094 ( 11.150 0.000 -1.437) 11.242 38.094 ( 11.150 0.000 1.437) 11.242 40.694 ( -0.790 0.000 -1.463) 1.663 40.694 ( -0.790 0.000 1.463) 1.663 60.323 ( -14.674 0.000 -3.342) 15.050 60.323 ( -14.674 0.000 3.342) 15.050 ======================= Grid point 1337 (377/378) ======================= q-point: ( 0.41 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.610 ( 5.751 0.000 -1.892) 6.054 4.610 ( 5.751 0.000 1.892) 6.054 6.056 ( -12.444 0.000 -2.878) 12.773 6.056 ( -12.444 0.000 2.878) 12.773 7.670 ( 7.124 -0.000 -1.154) 7.216 7.670 ( 7.124 0.000 1.154) 7.216 9.614 ( 2.974 0.000 -5.466) 6.223 9.614 ( 2.974 0.000 5.466) 6.223 11.821 ( 1.829 0.000 -7.315) 7.540 11.821 ( 1.829 0.000 7.315) 7.540 13.088 ( 6.305 0.000 -7.110) 9.503 13.088 ( 6.305 0.000 7.110) 9.503 14.296 ( 2.469 0.000 -6.288) 6.755 14.296 ( 2.469 0.000 6.288) 6.755 16.740 ( 2.885 0.000 -5.563) 6.267 16.740 ( 2.885 0.000 5.563) 6.267 18.490 ( 1.420 0.000 -4.625) 4.838 18.490 ( 1.420 0.000 4.625) 4.838 38.277 ( 7.178 0.000 -0.871) 7.230 38.277 ( 7.178 0.000 0.871) 7.230 40.681 ( -0.489 0.000 -0.903) 1.027 40.681 ( -0.489 0.000 0.903) 1.027 60.090 ( -8.784 0.000 -2.291) 9.077 60.090 ( -8.784 0.000 2.291) 9.077 ======================= Grid point 1341 (378/378) ======================= q-point: ( 0.47 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 Number of triplets: 357 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.700 ( 2.726 0.000 -0.877) 2.864 4.700 ( 2.726 0.000 0.877) 2.864 5.866 ( -5.568 0.000 -1.113) 5.678 5.866 ( -5.568 -0.000 1.113) 5.678 7.770 ( 2.646 0.000 -0.292) 2.662 7.770 ( 2.646 0.000 0.292) 2.662 9.659 ( 1.266 0.000 -1.969) 2.341 9.659 ( 1.266 -0.000 1.969) 2.341 11.836 ( 0.112 0.000 -2.637) 2.639 11.836 ( 0.112 0.000 2.637) 2.639 13.179 ( 2.543 0.000 -2.413) 3.506 13.179 ( 2.543 0.000 2.413) 3.506 14.325 ( 0.628 0.000 -2.259) 2.344 14.325 ( 0.628 0.000 2.259) 2.344 16.785 ( 1.310 0.000 -1.798) 2.225 16.785 ( 1.310 0.000 1.798) 2.225 18.510 ( 0.512 0.000 -1.551) 1.633 18.510 ( 0.512 0.000 1.551) 1.633 38.373 ( 2.473 0.000 -0.291) 2.490 38.373 ( 2.473 0.000 0.291) 2.490 40.674 ( -0.164 0.000 -0.305) 0.346 40.674 ( -0.164 0.000 0.305) 0.346 59.974 ( -2.906 0.000 -0.818) 3.019 59.974 ( -2.906 0.000 0.818) 3.019 =================== 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 3/48960 10.0 5284.001 2579.908 2221.928 0.000 0.000 0.000 3/48960 20.0 2295.372 1930.581 2144.598 0.000 0.000 0.000 3/48960 30.0 1023.349 875.795 944.751 0.000 0.000 0.000 3/48960 40.0 538.680 450.779 484.365 0.000 0.000 0.000 3/48960 50.0 327.421 264.718 285.339 0.000 0.000 0.000 3/48960 60.0 220.244 171.354 185.495 0.000 0.000 0.000 3/48960 70.0 158.492 119.307 129.585 0.000 0.000 0.000 3/48960 80.0 119.712 87.807 95.588 0.000 0.000 0.000 3/48960 90.0 93.892 67.491 73.592 0.000 0.000 0.000 3/48960 100.0 75.936 53.715 58.654 0.000 0.000 0.000 3/48960 110.0 63.004 43.985 48.100 0.000 0.000 0.000 3/48960 120.0 53.411 36.878 40.394 0.000 0.000 0.000 3/48960 130.0 46.109 31.535 34.605 0.000 0.000 0.000 3/48960 140.0 40.424 27.418 30.148 0.000 0.000 0.000 3/48960 150.0 35.908 24.177 26.643 0.000 0.000 0.000 3/48960 160.0 32.257 21.578 23.832 0.000 0.000 0.000 3/48960 170.0 29.257 19.457 21.541 0.000 0.000 0.000 3/48960 180.0 26.758 17.702 19.645 0.000 0.000 0.000 3/48960 190.0 24.649 16.230 18.055 0.000 0.000 0.000 3/48960 200.0 22.849 14.981 16.705 0.000 0.000 0.000 3/48960 210.0 21.297 13.910 15.546 0.000 0.000 0.000 3/48960 220.0 19.947 12.982 14.542 0.000 0.000 0.000 3/48960 230.0 18.762 12.171 13.664 0.000 0.000 0.000 3/48960 240.0 17.714 11.458 12.890 0.000 0.000 0.000 3/48960 250.0 16.781 10.825 12.203 0.000 0.000 0.000 3/48960 260.0 15.946 10.260 11.589 0.000 0.000 0.000 3/48960 270.0 15.194 9.753 11.037 0.000 0.000 0.000 3/48960 280.0 14.512 9.295 10.538 0.000 0.000 0.000 3/48960 290.0 13.893 8.880 10.084 0.000 0.000 0.000 3/48960 300.0 13.327 8.502 9.671 0.000 0.000 0.000 3/48960 310.0 12.807 8.155 9.291 0.000 0.000 0.000 3/48960 320.0 12.329 7.837 8.942 0.000 0.000 0.000 3/48960 330.0 11.887 7.543 8.620 0.000 0.000 0.000 3/48960 340.0 11.477 7.271 8.321 0.000 0.000 0.000 3/48960 350.0 11.096 7.019 8.043 0.000 0.000 0.000 3/48960 360.0 10.741 6.784 7.785 0.000 0.000 0.000 3/48960 370.0 10.409 6.565 7.543 0.000 0.000 0.000 3/48960 380.0 10.098 6.359 7.316 0.000 0.000 0.000 3/48960 390.0 9.805 6.167 7.103 0.000 0.000 0.000 3/48960 400.0 9.530 5.986 6.903 0.000 0.000 0.000 3/48960 410.0 9.271 5.815 6.714 0.000 0.000 0.000 3/48960 420.0 9.026 5.654 6.536 0.000 0.000 0.000 3/48960 430.0 8.794 5.502 6.367 0.000 0.000 0.000 3/48960 440.0 8.575 5.358 6.207 0.000 0.000 0.000 3/48960 450.0 8.366 5.221 6.055 0.000 0.000 0.000 3/48960 460.0 8.167 5.091 5.910 0.000 0.000 0.000 3/48960 470.0 7.979 4.968 5.772 0.000 0.000 0.000 3/48960 480.0 7.798 4.850 5.641 0.000 0.000 0.000 3/48960 490.0 7.627 4.738 5.516 0.000 0.000 0.000 3/48960 500.0 7.462 4.630 5.396 0.000 0.000 0.000 3/48960 510.0 7.305 4.528 5.281 0.000 0.000 0.000 3/48960 520.0 7.155 4.430 5.172 0.000 0.000 0.000 3/48960 530.0 7.010 4.336 5.066 0.000 0.000 0.000 3/48960 540.0 6.872 4.246 4.965 0.000 0.000 0.000 3/48960 550.0 6.739 4.159 4.868 0.000 0.000 0.000 3/48960 560.0 6.611 4.076 4.775 0.000 0.000 0.000 3/48960 570.0 6.488 3.996 4.686 0.000 0.000 0.000 3/48960 580.0 6.370 3.919 4.599 0.000 0.000 0.000 3/48960 590.0 6.256 3.845 4.516 0.000 0.000 0.000 3/48960 600.0 6.146 3.774 4.436 0.000 0.000 0.000 3/48960 610.0 6.039 3.706 4.358 0.000 0.000 0.000 3/48960 620.0 5.937 3.639 4.284 0.000 0.000 0.000 3/48960 630.0 5.838 3.575 4.211 0.000 0.000 0.000 3/48960 640.0 5.742 3.514 4.142 0.000 0.000 0.000 3/48960 650.0 5.650 3.454 4.074 0.000 0.000 0.000 3/48960 660.0 5.560 3.396 4.009 0.000 0.000 0.000 3/48960 670.0 5.473 3.340 3.946 0.000 0.000 0.000 3/48960 680.0 5.389 3.286 3.884 0.000 0.000 0.000 3/48960 690.0 5.308 3.234 3.825 0.000 0.000 0.000 3/48960 700.0 5.229 3.183 3.767 0.000 0.000 0.000 3/48960 710.0 5.152 3.134 3.711 0.000 0.000 0.000 3/48960 720.0 5.078 3.086 3.657 0.000 0.000 0.000 3/48960 730.0 5.006 3.040 3.604 0.000 0.000 0.000 3/48960 740.0 4.936 2.995 3.553 0.000 0.000 0.000 3/48960 750.0 4.867 2.952 3.503 0.000 0.000 0.000 3/48960 760.0 4.801 2.909 3.455 0.000 0.000 0.000 3/48960 770.0 4.737 2.868 3.408 0.000 0.000 0.000 3/48960 780.0 4.674 2.828 3.362 0.000 0.000 0.000 3/48960 790.0 4.613 2.789 3.318 0.000 0.000 0.000 3/48960 800.0 4.553 2.752 3.274 0.000 0.000 0.000 3/48960 810.0 4.495 2.715 3.232 0.000 0.000 0.000 3/48960 820.0 4.439 2.679 3.191 0.000 0.000 0.000 3/48960 830.0 4.384 2.644 3.151 0.000 0.000 0.000 3/48960 840.0 4.330 2.610 3.112 0.000 0.000 0.000 3/48960 850.0 4.278 2.577 3.073 0.000 0.000 0.000 3/48960 860.0 4.227 2.544 3.036 0.000 0.000 0.000 3/48960 870.0 4.177 2.513 3.000 0.000 0.000 0.000 3/48960 880.0 4.128 2.482 2.964 0.000 0.000 0.000 3/48960 890.0 4.080 2.452 2.930 0.000 0.000 0.000 3/48960 900.0 4.034 2.423 2.896 0.000 0.000 0.000 3/48960 910.0 3.989 2.394 2.863 0.000 0.000 0.000 3/48960 920.0 3.944 2.366 2.831 0.000 0.000 0.000 3/48960 930.0 3.901 2.339 2.799 0.000 0.000 0.000 3/48960 940.0 3.858 2.312 2.768 0.000 0.000 0.000 3/48960 950.0 3.817 2.286 2.738 0.000 0.000 0.000 3/48960 960.0 3.776 2.261 2.708 0.000 0.000 0.000 3/48960 970.0 3.737 2.236 2.679 0.000 0.000 0.000 3/48960 980.0 3.698 2.212 2.651 0.000 0.000 0.000 3/48960 990.0 3.660 2.188 2.623 0.000 0.000 0.000 3/48960 1000.0 3.623 2.165 2.596 0.000 0.000 0.000 3/48960 Thermal conductivity related properties were written into "kappa-m171210.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:42:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|