----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:05:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.108669919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.864834140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.136469760000000 Atomic positions (fractional): *1 S 0.29499001738892 0.75000000000000 0.25557706031981 32.065 2 S 0.70500998261108 0.25000000000000 0.74442293968019 32.065 3 S 0.20500998261108 0.25000000000000 0.75557706031981 32.065 4 S 0.79499001738892 0.75000000000000 0.24442293968019 32.065 *5 S 0.45755736513616 0.75000000000000 0.74784931368620 32.065 6 S 0.95755736513616 0.75000000000000 0.75215068631380 32.065 7 S 0.04244263486384 0.25000000000000 0.24784931368620 32.065 8 S 0.54244263486384 0.25000000000000 0.25215068631380 32.065 *9 Cu 0.45787169889673 0.75000000000000 0.12905156186048 63.546 10 Cu 0.04212830110327 0.25000000000000 0.62905156186048 63.546 11 Cu 0.54212830110327 0.25000000000000 0.87094843813952 63.546 12 Cu 0.95787169889673 0.75000000000000 0.37094843813952 63.546 *13 Er 0.63237151476047 0.75000000000000 0.50465400351299 167.259 14 Er 0.36762848523954 0.25000000000000 0.49534599648701 167.259 15 Er 0.86762848523953 0.25000000000000 0.00465400351299 167.259 16 Er 0.13237151476046 0.75000000000000 0.99534599648701 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.108669919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.864834140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.136469760000000 Atomic positions (fractional): *1 S 0.29499001738892 0.75000000000000 0.25557706031981 32.065 > 1 2 S 0.70500998261108 0.25000000000000 0.74442293968019 32.065 > 2 3 S 0.20500998261108 0.25000000000000 0.75557706031981 32.065 > 3 4 S 0.79499001738892 0.75000000000000 0.24442293968019 32.065 > 4 *5 S 0.45755736513616 0.75000000000000 0.74784931368620 32.065 > 5 6 S 0.95755736513616 0.75000000000000 0.75215068631380 32.065 > 6 7 S 0.04244263486384 0.25000000000000 0.24784931368620 32.065 > 7 8 S 0.54244263486384 0.25000000000000 0.25215068631380 32.065 > 8 *9 Cu 0.45787169889673 0.75000000000000 0.12905156186048 63.546 > 9 10 Cu 0.04212830110327 0.25000000000000 0.62905156186048 63.546 > 10 11 Cu 0.54212830110327 0.25000000000000 0.87094843813952 63.546 > 11 12 Cu 0.95787169889673 0.75000000000000 0.37094843813952 63.546 > 12 *13 Er 0.63237151476047 0.75000000000000 0.50465400351299 167.259 > 13 14 Er 0.36762848523954 0.25000000000000 0.49534599648701 167.259 > 14 15 Er 0.86762848523953 0.25000000000000 0.00465400351299 167.259 > 15 16 Er 0.13237151476046 0.75000000000000 0.99534599648701 167.259 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.108669919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.459336560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.272939520000000 Atomic positions (fractional): *1 S 0.29499001738892 0.18750000000000 0.12778853015991 32.065 > 1 2 S 0.29499001738892 0.43750000000000 0.12778853015991 32.065 > 1 3 S 0.29499001738892 0.68750000000000 0.12778853015991 32.065 > 1 4 S 0.29499001738892 0.93750000000000 0.12778853015991 32.065 > 1 5 S 0.29499001738892 0.18750000000000 0.62778853015991 32.065 > 1 6 S 0.29499001738892 0.43750000000000 0.62778853015991 32.065 > 1 7 S 0.29499001738892 0.68750000000000 0.62778853015991 32.065 > 1 8 S 0.29499001738892 0.93750000000000 0.62778853015991 32.065 > 1 9 S 0.70500998261108 0.06250000000000 0.37221146984009 32.065 > 2 10 S 0.70500998261108 0.31250000000000 0.37221146984009 32.065 > 2 11 S 0.70500998261108 0.56250000000000 0.37221146984009 32.065 > 2 12 S 0.70500998261108 0.81250000000000 0.37221146984009 32.065 > 2 13 S 0.70500998261108 0.06250000000000 0.87221146984009 32.065 > 2 14 S 0.70500998261108 0.31250000000000 0.87221146984009 32.065 > 2 15 S 0.70500998261108 0.56250000000000 0.87221146984009 32.065 > 2 16 S 0.70500998261108 0.81250000000000 0.87221146984009 32.065 > 2 17 S 0.20500998261108 0.06250000000000 0.37778853015991 32.065 > 3 18 S 0.20500998261108 0.31250000000000 0.37778853015991 32.065 > 3 19 S 0.20500998261108 0.56250000000000 0.37778853015991 32.065 > 3 20 S 0.20500998261108 0.81250000000000 0.37778853015991 32.065 > 3 21 S 0.20500998261108 0.06250000000000 0.87778853015991 32.065 > 3 22 S 0.20500998261108 0.31250000000000 0.87778853015991 32.065 > 3 23 S 0.20500998261108 0.56250000000000 0.87778853015991 32.065 > 3 24 S 0.20500998261108 0.81250000000000 0.87778853015991 32.065 > 3 25 S 0.79499001738892 0.18750000000000 0.12221146984009 32.065 > 4 26 S 0.79499001738892 0.43750000000000 0.12221146984009 32.065 > 4 27 S 0.79499001738892 0.68750000000000 0.12221146984009 32.065 > 4 28 S 0.79499001738892 0.93750000000000 0.12221146984009 32.065 > 4 29 S 0.79499001738892 0.18750000000000 0.62221146984009 32.065 > 4 30 S 0.79499001738892 0.43750000000000 0.62221146984009 32.065 > 4 31 S 0.79499001738892 0.68750000000000 0.62221146984009 32.065 > 4 32 S 0.79499001738892 0.93750000000000 0.62221146984009 32.065 > 4 *33 S 0.45755736513616 0.18750000000000 0.37392465684310 32.065 > 5 34 S 0.45755736513616 0.43750000000000 0.37392465684310 32.065 > 5 35 S 0.45755736513616 0.68750000000000 0.37392465684310 32.065 > 5 36 S 0.45755736513616 0.93750000000000 0.37392465684310 32.065 > 5 37 S 0.45755736513616 0.18750000000000 0.87392465684310 32.065 > 5 38 S 0.45755736513616 0.43750000000000 0.87392465684310 32.065 > 5 39 S 0.45755736513616 0.68750000000000 0.87392465684310 32.065 > 5 40 S 0.45755736513616 0.93750000000000 0.87392465684310 32.065 > 5 41 S 0.95755736513616 0.18750000000000 0.37607534315690 32.065 > 6 42 S 0.95755736513616 0.43750000000000 0.37607534315690 32.065 > 6 43 S 0.95755736513616 0.68750000000000 0.37607534315690 32.065 > 6 44 S 0.95755736513616 0.93750000000000 0.37607534315690 32.065 > 6 45 S 0.95755736513616 0.18750000000000 0.87607534315690 32.065 > 6 46 S 0.95755736513616 0.43750000000000 0.87607534315690 32.065 > 6 47 S 0.95755736513616 0.68750000000000 0.87607534315690 32.065 > 6 48 S 0.95755736513616 0.93750000000000 0.87607534315690 32.065 > 6 49 S 0.04244263486384 0.06250000000000 0.12392465684310 32.065 > 7 50 S 0.04244263486384 0.31250000000000 0.12392465684310 32.065 > 7 51 S 0.04244263486384 0.56250000000000 0.12392465684310 32.065 > 7 52 S 0.04244263486384 0.81250000000000 0.12392465684310 32.065 > 7 53 S 0.04244263486384 0.06250000000000 0.62392465684310 32.065 > 7 54 S 0.04244263486384 0.31250000000000 0.62392465684310 32.065 > 7 55 S 0.04244263486384 0.56250000000000 0.62392465684310 32.065 > 7 56 S 0.04244263486384 0.81250000000000 0.62392465684310 32.065 > 7 57 S 0.54244263486384 0.06250000000000 0.12607534315690 32.065 > 8 58 S 0.54244263486384 0.31250000000000 0.12607534315690 32.065 > 8 59 S 0.54244263486384 0.56250000000000 0.12607534315690 32.065 > 8 60 S 0.54244263486384 0.81250000000000 0.12607534315690 32.065 > 8 61 S 0.54244263486384 0.06250000000000 0.62607534315690 32.065 > 8 62 S 0.54244263486384 0.31250000000000 0.62607534315690 32.065 > 8 63 S 0.54244263486384 0.56250000000000 0.62607534315690 32.065 > 8 64 S 0.54244263486384 0.81250000000000 0.62607534315690 32.065 > 8 *65 Cu 0.45787169889673 0.18750000000000 0.06452578093024 63.546 > 9 66 Cu 0.45787169889673 0.43750000000000 0.06452578093024 63.546 > 9 67 Cu 0.45787169889673 0.68750000000000 0.06452578093024 63.546 > 9 68 Cu 0.45787169889673 0.93750000000000 0.06452578093024 63.546 > 9 69 Cu 0.45787169889673 0.18750000000000 0.56452578093024 63.546 > 9 70 Cu 0.45787169889673 0.43750000000000 0.56452578093024 63.546 > 9 71 Cu 0.45787169889673 0.68750000000000 0.56452578093024 63.546 > 9 72 Cu 0.45787169889673 0.93750000000000 0.56452578093024 63.546 > 9 73 Cu 0.04212830110327 0.06250000000000 0.31452578093024 63.546 > 10 74 Cu 0.04212830110327 0.31250000000000 0.31452578093024 63.546 > 10 75 Cu 0.04212830110327 0.56250000000000 0.31452578093024 63.546 > 10 76 Cu 0.04212830110327 0.81250000000000 0.31452578093024 63.546 > 10 77 Cu 0.04212830110327 0.06250000000000 0.81452578093024 63.546 > 10 78 Cu 0.04212830110327 0.31250000000000 0.81452578093024 63.546 > 10 79 Cu 0.04212830110327 0.56250000000000 0.81452578093024 63.546 > 10 80 Cu 0.04212830110327 0.81250000000000 0.81452578093024 63.546 > 10 81 Cu 0.54212830110327 0.06250000000000 0.43547421906976 63.546 > 11 82 Cu 0.54212830110327 0.31250000000000 0.43547421906976 63.546 > 11 83 Cu 0.54212830110327 0.56250000000000 0.43547421906976 63.546 > 11 84 Cu 0.54212830110327 0.81250000000000 0.43547421906976 63.546 > 11 85 Cu 0.54212830110327 0.06250000000000 0.93547421906976 63.546 > 11 86 Cu 0.54212830110327 0.31250000000000 0.93547421906976 63.546 > 11 87 Cu 0.54212830110327 0.56250000000000 0.93547421906976 63.546 > 11 88 Cu 0.54212830110327 0.81250000000000 0.93547421906976 63.546 > 11 89 Cu 0.95787169889673 0.18750000000000 0.18547421906976 63.546 > 12 90 Cu 0.95787169889673 0.43750000000000 0.18547421906976 63.546 > 12 91 Cu 0.95787169889673 0.68750000000000 0.18547421906976 63.546 > 12 92 Cu 0.95787169889673 0.93750000000000 0.18547421906976 63.546 > 12 93 Cu 0.95787169889673 0.18750000000000 0.68547421906976 63.546 > 12 94 Cu 0.95787169889673 0.43750000000000 0.68547421906976 63.546 > 12 95 Cu 0.95787169889673 0.68750000000000 0.68547421906976 63.546 > 12 96 Cu 0.95787169889673 0.93750000000000 0.68547421906976 63.546 > 12 *97 Er 0.63237151476047 0.18750000000000 0.25232700175649 167.259 > 13 98 Er 0.63237151476047 0.43750000000000 0.25232700175649 167.259 > 13 99 Er 0.63237151476047 0.68750000000000 0.25232700175649 167.259 > 13 100 Er 0.63237151476047 0.93750000000000 0.25232700175649 167.259 > 13 101 Er 0.63237151476047 0.18750000000000 0.75232700175649 167.259 > 13 102 Er 0.63237151476047 0.43750000000000 0.75232700175649 167.259 > 13 103 Er 0.63237151476047 0.68750000000000 0.75232700175649 167.259 > 13 104 Er 0.63237151476047 0.93750000000000 0.75232700175649 167.259 > 13 105 Er 0.36762848523954 0.06250000000000 0.24767299824351 167.259 > 14 106 Er 0.36762848523954 0.31250000000000 0.24767299824351 167.259 > 14 107 Er 0.36762848523954 0.56250000000000 0.24767299824351 167.259 > 14 108 Er 0.36762848523954 0.81250000000000 0.24767299824351 167.259 > 14 109 Er 0.36762848523954 0.06250000000000 0.74767299824351 167.259 > 14 110 Er 0.36762848523954 0.31250000000000 0.74767299824351 167.259 > 14 111 Er 0.36762848523954 0.56250000000000 0.74767299824351 167.259 > 14 112 Er 0.36762848523954 0.81250000000000 0.74767299824351 167.259 > 14 113 Er 0.86762848523953 0.06250000000000 0.00232700175649 167.259 > 15 114 Er 0.86762848523953 0.31250000000000 0.00232700175649 167.259 > 15 115 Er 0.86762848523953 0.56250000000000 0.00232700175649 167.259 > 15 116 Er 0.86762848523953 0.81250000000000 0.00232700175649 167.259 > 15 117 Er 0.86762848523953 0.06250000000000 0.50232700175649 167.259 > 15 118 Er 0.86762848523953 0.31250000000000 0.50232700175649 167.259 > 15 119 Er 0.86762848523953 0.56250000000000 0.50232700175649 167.259 > 15 120 Er 0.86762848523953 0.81250000000000 0.50232700175649 167.259 > 15 121 Er 0.13237151476046 0.18750000000000 0.49767299824351 167.259 > 16 122 Er 0.13237151476046 0.43750000000000 0.49767299824351 167.259 > 16 123 Er 0.13237151476046 0.68750000000000 0.49767299824351 167.259 > 16 124 Er 0.13237151476046 0.93750000000000 0.49767299824351 167.259 > 16 125 Er 0.13237151476046 0.18750000000000 0.99767299824351 167.259 > 16 126 Er 0.13237151476046 0.43750000000000 0.99767299824351 167.259 > 16 127 Er 0.13237151476046 0.68750000000000 0.99767299824351 167.259 > 16 128 Er 0.13237151476046 0.93750000000000 0.99767299824351 167.259 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5836150 0.0000000 0.0000000 0.0000000 9.6802324 0.0000000 0.0000000 0.0000000 8.8714860 -------------------------- Born effective charges -------------------------- 1 S -2.6051448 0.0000000 -1.0918433 0.0000000 -2.6205540 0.0000000 -1.0402734 0.0000000 -2.3350627 2 S -2.6051448 0.0000000 -1.0918433 0.0000000 -2.6205540 0.0000000 -1.0402734 0.0000000 -2.3350627 3 S -2.6051448 0.0000000 1.0918433 0.0000000 -2.6205540 0.0000000 1.0402734 0.0000000 -2.3350627 4 S -2.6051448 0.0000000 1.0918433 0.0000000 -2.6205540 0.0000000 1.0402734 0.0000000 -2.3350627 5 S -1.9483450 0.0000000 -0.3026832 0.0000000 -2.9378155 0.0000000 -0.0565242 0.0000000 -2.2865321 6 S -1.9483450 0.0000000 0.3026832 0.0000000 -2.9378155 0.0000000 0.0565242 0.0000000 -2.2865321 7 S -1.9483450 0.0000000 0.3026832 0.0000000 -2.9378155 0.0000000 0.0565242 0.0000000 -2.2865321 8 S -1.9483450 0.0000000 -0.3026832 0.0000000 -2.9378155 0.0000000 -0.0565242 0.0000000 -2.2865321 9 Cu 0.4978224 0.0000000 -0.0370563 0.0000000 0.8299581 0.0000000 -0.1016290 0.0000000 0.6537631 10 Cu 0.4978224 0.0000000 0.0370563 0.0000000 0.8299581 0.0000000 0.1016290 0.0000000 0.6537631 11 Cu 0.4978224 0.0000000 -0.0370563 0.0000000 0.8299581 0.0000000 -0.1016290 0.0000000 0.6537631 12 Cu 0.4978224 0.0000000 0.0370563 0.0000000 0.8299581 0.0000000 0.1016290 0.0000000 0.6537631 13 Er 4.0556675 0.0000000 -0.2417894 0.0000000 4.7284115 0.0000000 -0.3831993 0.0000000 3.9678318 14 Er 4.0556675 0.0000000 -0.2417894 0.0000000 4.7284115 0.0000000 -0.3831993 0.0000000 3.9678318 15 Er 4.0556675 0.0000000 0.2417894 0.0000000 4.7284115 0.0000000 0.3831993 0.0000000 3.9678318 16 Er 4.0556675 0.0000000 0.2417894 0.0000000 4.7284115 0.0000000 0.3831993 0.0000000 3.9678318 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 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: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.720 Solver_block: 200 / 240 - Time: 1.728 Solver_block: 240 / 240 - Time: 0.771 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.248 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 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: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), 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 00:05:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:05:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.108669919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.864834140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.136469760000000 Atomic positions (fractional): 1 S 0.29499001738892 0.75000000000000 0.25557706031981 32.065 2 S 0.70500998261108 0.25000000000000 0.74442293968019 32.065 3 S 0.20500998261108 0.25000000000000 0.75557706031981 32.065 4 S 0.79499001738892 0.75000000000000 0.24442293968019 32.065 5 S 0.45755736513616 0.75000000000000 0.74784931368620 32.065 6 S 0.95755736513616 0.75000000000000 0.75215068631380 32.065 7 S 0.04244263486384 0.25000000000000 0.24784931368620 32.065 8 S 0.54244263486384 0.25000000000000 0.25215068631380 32.065 9 Cu 0.45787169889673 0.75000000000000 0.12905156186048 63.546 10 Cu 0.04212830110327 0.25000000000000 0.62905156186048 63.546 11 Cu 0.54212830110327 0.25000000000000 0.87094843813952 63.546 12 Cu 0.95787169889673 0.75000000000000 0.37094843813952 63.546 13 Er 0.63237151476047 0.75000000000000 0.50465400351299 167.259 14 Er 0.36762848523954 0.25000000000000 0.49534599648701 167.259 15 Er 0.86762848523953 0.25000000000000 0.00465400351299 167.259 16 Er 0.13237151476046 0.75000000000000 0.99534599648701 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.108669919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.459336560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.272939520000000 Atomic positions (fractional): 1 S 0.29499001738892 0.18750000000000 0.12778853015991 32.065 > 1 2 S 0.29499001738892 0.43750000000000 0.12778853015991 32.065 > 1 3 S 0.29499001738892 0.68750000000000 0.12778853015991 32.065 > 1 4 S 0.29499001738892 0.93750000000000 0.12778853015991 32.065 > 1 5 S 0.29499001738892 0.18750000000000 0.62778853015991 32.065 > 1 6 S 0.29499001738892 0.43750000000000 0.62778853015991 32.065 > 1 7 S 0.29499001738892 0.68750000000000 0.62778853015991 32.065 > 1 8 S 0.29499001738892 0.93750000000000 0.62778853015991 32.065 > 1 9 S 0.70500998261108 0.06250000000000 0.37221146984009 32.065 > 9 10 S 0.70500998261108 0.31250000000000 0.37221146984009 32.065 > 9 11 S 0.70500998261108 0.56250000000000 0.37221146984009 32.065 > 9 12 S 0.70500998261108 0.81250000000000 0.37221146984009 32.065 > 9 13 S 0.70500998261108 0.06250000000000 0.87221146984009 32.065 > 9 14 S 0.70500998261108 0.31250000000000 0.87221146984009 32.065 > 9 15 S 0.70500998261108 0.56250000000000 0.87221146984009 32.065 > 9 16 S 0.70500998261108 0.81250000000000 0.87221146984009 32.065 > 9 17 S 0.20500998261108 0.06250000000000 0.37778853015991 32.065 > 17 18 S 0.20500998261108 0.31250000000000 0.37778853015991 32.065 > 17 19 S 0.20500998261108 0.56250000000000 0.37778853015991 32.065 > 17 20 S 0.20500998261108 0.81250000000000 0.37778853015991 32.065 > 17 21 S 0.20500998261108 0.06250000000000 0.87778853015991 32.065 > 17 22 S 0.20500998261108 0.31250000000000 0.87778853015991 32.065 > 17 23 S 0.20500998261108 0.56250000000000 0.87778853015991 32.065 > 17 24 S 0.20500998261108 0.81250000000000 0.87778853015991 32.065 > 17 25 S 0.79499001738892 0.18750000000000 0.12221146984009 32.065 > 25 26 S 0.79499001738892 0.43750000000000 0.12221146984009 32.065 > 25 27 S 0.79499001738892 0.68750000000000 0.12221146984009 32.065 > 25 28 S 0.79499001738892 0.93750000000000 0.12221146984009 32.065 > 25 29 S 0.79499001738892 0.18750000000000 0.62221146984009 32.065 > 25 30 S 0.79499001738892 0.43750000000000 0.62221146984009 32.065 > 25 31 S 0.79499001738892 0.68750000000000 0.62221146984009 32.065 > 25 32 S 0.79499001738892 0.93750000000000 0.62221146984009 32.065 > 25 33 S 0.45755736513616 0.18750000000000 0.37392465684310 32.065 > 33 34 S 0.45755736513616 0.43750000000000 0.37392465684310 32.065 > 33 35 S 0.45755736513616 0.68750000000000 0.37392465684310 32.065 > 33 36 S 0.45755736513616 0.93750000000000 0.37392465684310 32.065 > 33 37 S 0.45755736513616 0.18750000000000 0.87392465684310 32.065 > 33 38 S 0.45755736513616 0.43750000000000 0.87392465684310 32.065 > 33 39 S 0.45755736513616 0.68750000000000 0.87392465684310 32.065 > 33 40 S 0.45755736513616 0.93750000000000 0.87392465684310 32.065 > 33 41 S 0.95755736513616 0.18750000000000 0.37607534315690 32.065 > 41 42 S 0.95755736513616 0.43750000000000 0.37607534315690 32.065 > 41 43 S 0.95755736513616 0.68750000000000 0.37607534315690 32.065 > 41 44 S 0.95755736513616 0.93750000000000 0.37607534315690 32.065 > 41 45 S 0.95755736513616 0.18750000000000 0.87607534315690 32.065 > 41 46 S 0.95755736513616 0.43750000000000 0.87607534315690 32.065 > 41 47 S 0.95755736513616 0.68750000000000 0.87607534315690 32.065 > 41 48 S 0.95755736513616 0.93750000000000 0.87607534315690 32.065 > 41 49 S 0.04244263486384 0.06250000000000 0.12392465684310 32.065 > 49 50 S 0.04244263486384 0.31250000000000 0.12392465684310 32.065 > 49 51 S 0.04244263486384 0.56250000000000 0.12392465684310 32.065 > 49 52 S 0.04244263486384 0.81250000000000 0.12392465684310 32.065 > 49 53 S 0.04244263486384 0.06250000000000 0.62392465684310 32.065 > 49 54 S 0.04244263486384 0.31250000000000 0.62392465684310 32.065 > 49 55 S 0.04244263486384 0.56250000000000 0.62392465684310 32.065 > 49 56 S 0.04244263486384 0.81250000000000 0.62392465684310 32.065 > 49 57 S 0.54244263486384 0.06250000000000 0.12607534315690 32.065 > 57 58 S 0.54244263486384 0.31250000000000 0.12607534315690 32.065 > 57 59 S 0.54244263486384 0.56250000000000 0.12607534315690 32.065 > 57 60 S 0.54244263486384 0.81250000000000 0.12607534315690 32.065 > 57 61 S 0.54244263486384 0.06250000000000 0.62607534315690 32.065 > 57 62 S 0.54244263486384 0.31250000000000 0.62607534315690 32.065 > 57 63 S 0.54244263486384 0.56250000000000 0.62607534315690 32.065 > 57 64 S 0.54244263486384 0.81250000000000 0.62607534315690 32.065 > 57 65 Cu 0.45787169889673 0.18750000000000 0.06452578093024 63.546 > 65 66 Cu 0.45787169889673 0.43750000000000 0.06452578093024 63.546 > 65 67 Cu 0.45787169889673 0.68750000000000 0.06452578093024 63.546 > 65 68 Cu 0.45787169889673 0.93750000000000 0.06452578093024 63.546 > 65 69 Cu 0.45787169889673 0.18750000000000 0.56452578093024 63.546 > 65 70 Cu 0.45787169889673 0.43750000000000 0.56452578093024 63.546 > 65 71 Cu 0.45787169889673 0.68750000000000 0.56452578093024 63.546 > 65 72 Cu 0.45787169889673 0.93750000000000 0.56452578093024 63.546 > 65 73 Cu 0.04212830110327 0.06250000000000 0.31452578093024 63.546 > 73 74 Cu 0.04212830110327 0.31250000000000 0.31452578093024 63.546 > 73 75 Cu 0.04212830110327 0.56250000000000 0.31452578093024 63.546 > 73 76 Cu 0.04212830110327 0.81250000000000 0.31452578093024 63.546 > 73 77 Cu 0.04212830110327 0.06250000000000 0.81452578093024 63.546 > 73 78 Cu 0.04212830110327 0.31250000000000 0.81452578093024 63.546 > 73 79 Cu 0.04212830110327 0.56250000000000 0.81452578093024 63.546 > 73 80 Cu 0.04212830110327 0.81250000000000 0.81452578093024 63.546 > 73 81 Cu 0.54212830110327 0.06250000000000 0.43547421906976 63.546 > 81 82 Cu 0.54212830110327 0.31250000000000 0.43547421906976 63.546 > 81 83 Cu 0.54212830110327 0.56250000000000 0.43547421906976 63.546 > 81 84 Cu 0.54212830110327 0.81250000000000 0.43547421906976 63.546 > 81 85 Cu 0.54212830110327 0.06250000000000 0.93547421906976 63.546 > 81 86 Cu 0.54212830110327 0.31250000000000 0.93547421906976 63.546 > 81 87 Cu 0.54212830110327 0.56250000000000 0.93547421906976 63.546 > 81 88 Cu 0.54212830110327 0.81250000000000 0.93547421906976 63.546 > 81 89 Cu 0.95787169889673 0.18750000000000 0.18547421906976 63.546 > 89 90 Cu 0.95787169889673 0.43750000000000 0.18547421906976 63.546 > 89 91 Cu 0.95787169889673 0.68750000000000 0.18547421906976 63.546 > 89 92 Cu 0.95787169889673 0.93750000000000 0.18547421906976 63.546 > 89 93 Cu 0.95787169889673 0.18750000000000 0.68547421906976 63.546 > 89 94 Cu 0.95787169889673 0.43750000000000 0.68547421906976 63.546 > 89 95 Cu 0.95787169889673 0.68750000000000 0.68547421906976 63.546 > 89 96 Cu 0.95787169889673 0.93750000000000 0.68547421906976 63.546 > 89 97 Er 0.63237151476047 0.18750000000000 0.25232700175649 167.259 > 97 98 Er 0.63237151476047 0.43750000000000 0.25232700175649 167.259 > 97 99 Er 0.63237151476047 0.68750000000000 0.25232700175649 167.259 > 97 100 Er 0.63237151476047 0.93750000000000 0.25232700175649 167.259 > 97 101 Er 0.63237151476047 0.18750000000000 0.75232700175649 167.259 > 97 102 Er 0.63237151476047 0.43750000000000 0.75232700175649 167.259 > 97 103 Er 0.63237151476047 0.68750000000000 0.75232700175649 167.259 > 97 104 Er 0.63237151476047 0.93750000000000 0.75232700175649 167.259 > 97 105 Er 0.36762848523954 0.06250000000000 0.24767299824351 167.259 > 105 106 Er 0.36762848523954 0.31250000000000 0.24767299824351 167.259 > 105 107 Er 0.36762848523954 0.56250000000000 0.24767299824351 167.259 > 105 108 Er 0.36762848523954 0.81250000000000 0.24767299824351 167.259 > 105 109 Er 0.36762848523954 0.06250000000000 0.74767299824351 167.259 > 105 110 Er 0.36762848523954 0.31250000000000 0.74767299824351 167.259 > 105 111 Er 0.36762848523954 0.56250000000000 0.74767299824351 167.259 > 105 112 Er 0.36762848523954 0.81250000000000 0.74767299824351 167.259 > 105 113 Er 0.86762848523953 0.06250000000000 0.00232700175649 167.259 > 113 114 Er 0.86762848523953 0.31250000000000 0.00232700175649 167.259 > 113 115 Er 0.86762848523953 0.56250000000000 0.00232700175649 167.259 > 113 116 Er 0.86762848523953 0.81250000000000 0.00232700175649 167.259 > 113 117 Er 0.86762848523953 0.06250000000000 0.50232700175649 167.259 > 113 118 Er 0.86762848523953 0.31250000000000 0.50232700175649 167.259 > 113 119 Er 0.86762848523953 0.56250000000000 0.50232700175649 167.259 > 113 120 Er 0.86762848523953 0.81250000000000 0.50232700175649 167.259 > 113 121 Er 0.13237151476046 0.18750000000000 0.49767299824351 167.259 > 121 122 Er 0.13237151476046 0.43750000000000 0.49767299824351 167.259 > 121 123 Er 0.13237151476046 0.68750000000000 0.49767299824351 167.259 > 121 124 Er 0.13237151476046 0.93750000000000 0.49767299824351 167.259 > 121 125 Er 0.13237151476046 0.18750000000000 0.99767299824351 167.259 > 121 126 Er 0.13237151476046 0.43750000000000 0.99767299824351 167.259 > 121 127 Er 0.13237151476046 0.68750000000000 0.99767299824351 167.259 > 121 128 Er 0.13237151476046 0.93750000000000 0.99767299824351 167.259 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5836150 0.0000000 0.0000000 0.0000000 9.6802324 0.0000000 0.0000000 0.0000000 8.8714860 -------------------------- Born effective charges -------------------------- 1 S -2.6051448 0.0000000 -1.0918433 0.0000000 -2.6205540 0.0000000 -1.0402734 0.0000000 -2.3350627 2 S -2.6051448 0.0000000 -1.0918433 0.0000000 -2.6205540 0.0000000 -1.0402734 0.0000000 -2.3350627 3 S -2.6051448 0.0000000 1.0918433 0.0000000 -2.6205540 0.0000000 1.0402734 0.0000000 -2.3350627 4 S -2.6051448 0.0000000 1.0918433 0.0000000 -2.6205540 0.0000000 1.0402734 0.0000000 -2.3350627 5 S -1.9483450 0.0000000 -0.3026832 0.0000000 -2.9378155 0.0000000 -0.0565242 0.0000000 -2.2865321 6 S -1.9483450 0.0000000 0.3026832 0.0000000 -2.9378155 0.0000000 0.0565242 0.0000000 -2.2865321 7 S -1.9483450 0.0000000 0.3026832 0.0000000 -2.9378155 0.0000000 0.0565242 0.0000000 -2.2865321 8 S -1.9483450 0.0000000 -0.3026832 0.0000000 -2.9378155 0.0000000 -0.0565242 0.0000000 -2.2865321 9 Cu 0.4978224 0.0000000 -0.0370563 0.0000000 0.8299581 0.0000000 -0.1016290 0.0000000 0.6537631 10 Cu 0.4978224 0.0000000 0.0370563 0.0000000 0.8299581 0.0000000 0.1016290 0.0000000 0.6537631 11 Cu 0.4978224 0.0000000 -0.0370563 0.0000000 0.8299581 0.0000000 -0.1016290 0.0000000 0.6537631 12 Cu 0.4978224 0.0000000 0.0370563 0.0000000 0.8299581 0.0000000 0.1016290 0.0000000 0.6537631 13 Er 4.0556675 0.0000000 -0.2417894 0.0000000 4.7284115 0.0000000 -0.3831993 0.0000000 3.9678318 14 Er 4.0556675 0.0000000 -0.2417894 0.0000000 4.7284115 0.0000000 -0.3831993 0.0000000 3.9678318 15 Er 4.0556675 0.0000000 0.2417894 0.0000000 4.7284115 0.0000000 0.3831993 0.0000000 3.9678318 16 Er 4.0556675 0.0000000 0.2417894 0.0000000 4.7284115 0.0000000 0.3831993 0.0000000 3.9678318 ---------------------------------------------------------------------------- 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[ 33, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:05:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:05:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.108669919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.864834140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.136469760000000 Atomic positions (fractional): 1 S 0.29499001738892 0.75000000000000 0.25557706031981 32.065 2 S 0.70500998261108 0.25000000000000 0.74442293968019 32.065 3 S 0.20500998261108 0.25000000000000 0.75557706031981 32.065 4 S 0.79499001738892 0.75000000000000 0.24442293968019 32.065 5 S 0.45755736513616 0.75000000000000 0.74784931368620 32.065 6 S 0.95755736513616 0.75000000000000 0.75215068631380 32.065 7 S 0.04244263486384 0.25000000000000 0.24784931368620 32.065 8 S 0.54244263486384 0.25000000000000 0.25215068631380 32.065 9 Cu 0.45787169889673 0.75000000000000 0.12905156186048 63.546 10 Cu 0.04212830110327 0.25000000000000 0.62905156186048 63.546 11 Cu 0.54212830110327 0.25000000000000 0.87094843813952 63.546 12 Cu 0.95787169889673 0.75000000000000 0.37094843813952 63.546 13 Er 0.63237151476047 0.75000000000000 0.50465400351299 167.259 14 Er 0.36762848523954 0.25000000000000 0.49534599648701 167.259 15 Er 0.86762848523953 0.25000000000000 0.00465400351299 167.259 16 Er 0.13237151476046 0.75000000000000 0.99534599648701 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.108669919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.459336560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.272939520000000 Atomic positions (fractional): 1 S 0.29499001738892 0.18750000000000 0.12778853015991 32.065 > 1 2 S 0.29499001738892 0.43750000000000 0.12778853015991 32.065 > 1 3 S 0.29499001738892 0.68750000000000 0.12778853015991 32.065 > 1 4 S 0.29499001738892 0.93750000000000 0.12778853015991 32.065 > 1 5 S 0.29499001738892 0.18750000000000 0.62778853015991 32.065 > 1 6 S 0.29499001738892 0.43750000000000 0.62778853015991 32.065 > 1 7 S 0.29499001738892 0.68750000000000 0.62778853015991 32.065 > 1 8 S 0.29499001738892 0.93750000000000 0.62778853015991 32.065 > 1 9 S 0.70500998261108 0.06250000000000 0.37221146984009 32.065 > 9 10 S 0.70500998261108 0.31250000000000 0.37221146984009 32.065 > 9 11 S 0.70500998261108 0.56250000000000 0.37221146984009 32.065 > 9 12 S 0.70500998261108 0.81250000000000 0.37221146984009 32.065 > 9 13 S 0.70500998261108 0.06250000000000 0.87221146984009 32.065 > 9 14 S 0.70500998261108 0.31250000000000 0.87221146984009 32.065 > 9 15 S 0.70500998261108 0.56250000000000 0.87221146984009 32.065 > 9 16 S 0.70500998261108 0.81250000000000 0.87221146984009 32.065 > 9 17 S 0.20500998261108 0.06250000000000 0.37778853015991 32.065 > 17 18 S 0.20500998261108 0.31250000000000 0.37778853015991 32.065 > 17 19 S 0.20500998261108 0.56250000000000 0.37778853015991 32.065 > 17 20 S 0.20500998261108 0.81250000000000 0.37778853015991 32.065 > 17 21 S 0.20500998261108 0.06250000000000 0.87778853015991 32.065 > 17 22 S 0.20500998261108 0.31250000000000 0.87778853015991 32.065 > 17 23 S 0.20500998261108 0.56250000000000 0.87778853015991 32.065 > 17 24 S 0.20500998261108 0.81250000000000 0.87778853015991 32.065 > 17 25 S 0.79499001738892 0.18750000000000 0.12221146984009 32.065 > 25 26 S 0.79499001738892 0.43750000000000 0.12221146984009 32.065 > 25 27 S 0.79499001738892 0.68750000000000 0.12221146984009 32.065 > 25 28 S 0.79499001738892 0.93750000000000 0.12221146984009 32.065 > 25 29 S 0.79499001738892 0.18750000000000 0.62221146984009 32.065 > 25 30 S 0.79499001738892 0.43750000000000 0.62221146984009 32.065 > 25 31 S 0.79499001738892 0.68750000000000 0.62221146984009 32.065 > 25 32 S 0.79499001738892 0.93750000000000 0.62221146984009 32.065 > 25 33 S 0.45755736513616 0.18750000000000 0.37392465684310 32.065 > 33 34 S 0.45755736513616 0.43750000000000 0.37392465684310 32.065 > 33 35 S 0.45755736513616 0.68750000000000 0.37392465684310 32.065 > 33 36 S 0.45755736513616 0.93750000000000 0.37392465684310 32.065 > 33 37 S 0.45755736513616 0.18750000000000 0.87392465684310 32.065 > 33 38 S 0.45755736513616 0.43750000000000 0.87392465684310 32.065 > 33 39 S 0.45755736513616 0.68750000000000 0.87392465684310 32.065 > 33 40 S 0.45755736513616 0.93750000000000 0.87392465684310 32.065 > 33 41 S 0.95755736513616 0.18750000000000 0.37607534315690 32.065 > 41 42 S 0.95755736513616 0.43750000000000 0.37607534315690 32.065 > 41 43 S 0.95755736513616 0.68750000000000 0.37607534315690 32.065 > 41 44 S 0.95755736513616 0.93750000000000 0.37607534315690 32.065 > 41 45 S 0.95755736513616 0.18750000000000 0.87607534315690 32.065 > 41 46 S 0.95755736513616 0.43750000000000 0.87607534315690 32.065 > 41 47 S 0.95755736513616 0.68750000000000 0.87607534315690 32.065 > 41 48 S 0.95755736513616 0.93750000000000 0.87607534315690 32.065 > 41 49 S 0.04244263486384 0.06250000000000 0.12392465684310 32.065 > 49 50 S 0.04244263486384 0.31250000000000 0.12392465684310 32.065 > 49 51 S 0.04244263486384 0.56250000000000 0.12392465684310 32.065 > 49 52 S 0.04244263486384 0.81250000000000 0.12392465684310 32.065 > 49 53 S 0.04244263486384 0.06250000000000 0.62392465684310 32.065 > 49 54 S 0.04244263486384 0.31250000000000 0.62392465684310 32.065 > 49 55 S 0.04244263486384 0.56250000000000 0.62392465684310 32.065 > 49 56 S 0.04244263486384 0.81250000000000 0.62392465684310 32.065 > 49 57 S 0.54244263486384 0.06250000000000 0.12607534315690 32.065 > 57 58 S 0.54244263486384 0.31250000000000 0.12607534315690 32.065 > 57 59 S 0.54244263486384 0.56250000000000 0.12607534315690 32.065 > 57 60 S 0.54244263486384 0.81250000000000 0.12607534315690 32.065 > 57 61 S 0.54244263486384 0.06250000000000 0.62607534315690 32.065 > 57 62 S 0.54244263486384 0.31250000000000 0.62607534315690 32.065 > 57 63 S 0.54244263486384 0.56250000000000 0.62607534315690 32.065 > 57 64 S 0.54244263486384 0.81250000000000 0.62607534315690 32.065 > 57 65 Cu 0.45787169889673 0.18750000000000 0.06452578093024 63.546 > 65 66 Cu 0.45787169889673 0.43750000000000 0.06452578093024 63.546 > 65 67 Cu 0.45787169889673 0.68750000000000 0.06452578093024 63.546 > 65 68 Cu 0.45787169889673 0.93750000000000 0.06452578093024 63.546 > 65 69 Cu 0.45787169889673 0.18750000000000 0.56452578093024 63.546 > 65 70 Cu 0.45787169889673 0.43750000000000 0.56452578093024 63.546 > 65 71 Cu 0.45787169889673 0.68750000000000 0.56452578093024 63.546 > 65 72 Cu 0.45787169889673 0.93750000000000 0.56452578093024 63.546 > 65 73 Cu 0.04212830110327 0.06250000000000 0.31452578093024 63.546 > 73 74 Cu 0.04212830110327 0.31250000000000 0.31452578093024 63.546 > 73 75 Cu 0.04212830110327 0.56250000000000 0.31452578093024 63.546 > 73 76 Cu 0.04212830110327 0.81250000000000 0.31452578093024 63.546 > 73 77 Cu 0.04212830110327 0.06250000000000 0.81452578093024 63.546 > 73 78 Cu 0.04212830110327 0.31250000000000 0.81452578093024 63.546 > 73 79 Cu 0.04212830110327 0.56250000000000 0.81452578093024 63.546 > 73 80 Cu 0.04212830110327 0.81250000000000 0.81452578093024 63.546 > 73 81 Cu 0.54212830110327 0.06250000000000 0.43547421906976 63.546 > 81 82 Cu 0.54212830110327 0.31250000000000 0.43547421906976 63.546 > 81 83 Cu 0.54212830110327 0.56250000000000 0.43547421906976 63.546 > 81 84 Cu 0.54212830110327 0.81250000000000 0.43547421906976 63.546 > 81 85 Cu 0.54212830110327 0.06250000000000 0.93547421906976 63.546 > 81 86 Cu 0.54212830110327 0.31250000000000 0.93547421906976 63.546 > 81 87 Cu 0.54212830110327 0.56250000000000 0.93547421906976 63.546 > 81 88 Cu 0.54212830110327 0.81250000000000 0.93547421906976 63.546 > 81 89 Cu 0.95787169889673 0.18750000000000 0.18547421906976 63.546 > 89 90 Cu 0.95787169889673 0.43750000000000 0.18547421906976 63.546 > 89 91 Cu 0.95787169889673 0.68750000000000 0.18547421906976 63.546 > 89 92 Cu 0.95787169889673 0.93750000000000 0.18547421906976 63.546 > 89 93 Cu 0.95787169889673 0.18750000000000 0.68547421906976 63.546 > 89 94 Cu 0.95787169889673 0.43750000000000 0.68547421906976 63.546 > 89 95 Cu 0.95787169889673 0.68750000000000 0.68547421906976 63.546 > 89 96 Cu 0.95787169889673 0.93750000000000 0.68547421906976 63.546 > 89 97 Er 0.63237151476047 0.18750000000000 0.25232700175649 167.259 > 97 98 Er 0.63237151476047 0.43750000000000 0.25232700175649 167.259 > 97 99 Er 0.63237151476047 0.68750000000000 0.25232700175649 167.259 > 97 100 Er 0.63237151476047 0.93750000000000 0.25232700175649 167.259 > 97 101 Er 0.63237151476047 0.18750000000000 0.75232700175649 167.259 > 97 102 Er 0.63237151476047 0.43750000000000 0.75232700175649 167.259 > 97 103 Er 0.63237151476047 0.68750000000000 0.75232700175649 167.259 > 97 104 Er 0.63237151476047 0.93750000000000 0.75232700175649 167.259 > 97 105 Er 0.36762848523954 0.06250000000000 0.24767299824351 167.259 > 105 106 Er 0.36762848523954 0.31250000000000 0.24767299824351 167.259 > 105 107 Er 0.36762848523954 0.56250000000000 0.24767299824351 167.259 > 105 108 Er 0.36762848523954 0.81250000000000 0.24767299824351 167.259 > 105 109 Er 0.36762848523954 0.06250000000000 0.74767299824351 167.259 > 105 110 Er 0.36762848523954 0.31250000000000 0.74767299824351 167.259 > 105 111 Er 0.36762848523954 0.56250000000000 0.74767299824351 167.259 > 105 112 Er 0.36762848523954 0.81250000000000 0.74767299824351 167.259 > 105 113 Er 0.86762848523953 0.06250000000000 0.00232700175649 167.259 > 113 114 Er 0.86762848523953 0.31250000000000 0.00232700175649 167.259 > 113 115 Er 0.86762848523953 0.56250000000000 0.00232700175649 167.259 > 113 116 Er 0.86762848523953 0.81250000000000 0.00232700175649 167.259 > 113 117 Er 0.86762848523953 0.06250000000000 0.50232700175649 167.259 > 113 118 Er 0.86762848523953 0.31250000000000 0.50232700175649 167.259 > 113 119 Er 0.86762848523953 0.56250000000000 0.50232700175649 167.259 > 113 120 Er 0.86762848523953 0.81250000000000 0.50232700175649 167.259 > 113 121 Er 0.13237151476046 0.18750000000000 0.49767299824351 167.259 > 121 122 Er 0.13237151476046 0.43750000000000 0.49767299824351 167.259 > 121 123 Er 0.13237151476046 0.68750000000000 0.49767299824351 167.259 > 121 124 Er 0.13237151476046 0.93750000000000 0.49767299824351 167.259 > 121 125 Er 0.13237151476046 0.18750000000000 0.99767299824351 167.259 > 121 126 Er 0.13237151476046 0.43750000000000 0.99767299824351 167.259 > 121 127 Er 0.13237151476046 0.68750000000000 0.99767299824351 167.259 > 121 128 Er 0.13237151476046 0.93750000000000 0.99767299824351 167.259 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.5836150 0.0000000 0.0000000 0.0000000 9.6802324 0.0000000 0.0000000 0.0000000 8.8714860 -------------------------- Born effective charges -------------------------- 1 S -2.6051448 0.0000000 -1.0918433 0.0000000 -2.6205540 0.0000000 -1.0402734 0.0000000 -2.3350627 2 S -2.6051448 0.0000000 -1.0918433 0.0000000 -2.6205540 0.0000000 -1.0402734 0.0000000 -2.3350627 3 S -2.6051448 0.0000000 1.0918433 0.0000000 -2.6205540 0.0000000 1.0402734 0.0000000 -2.3350627 4 S -2.6051448 0.0000000 1.0918433 0.0000000 -2.6205540 0.0000000 1.0402734 0.0000000 -2.3350627 5 S -1.9483450 0.0000000 -0.3026832 0.0000000 -2.9378155 0.0000000 -0.0565242 0.0000000 -2.2865321 6 S -1.9483450 0.0000000 0.3026832 0.0000000 -2.9378155 0.0000000 0.0565242 0.0000000 -2.2865321 7 S -1.9483450 0.0000000 0.3026832 0.0000000 -2.9378155 0.0000000 0.0565242 0.0000000 -2.2865321 8 S -1.9483450 0.0000000 -0.3026832 0.0000000 -2.9378155 0.0000000 -0.0565242 0.0000000 -2.2865321 9 Cu 0.4978224 0.0000000 -0.0370563 0.0000000 0.8299581 0.0000000 -0.1016290 0.0000000 0.6537631 10 Cu 0.4978224 0.0000000 0.0370563 0.0000000 0.8299581 0.0000000 0.1016290 0.0000000 0.6537631 11 Cu 0.4978224 0.0000000 -0.0370563 0.0000000 0.8299581 0.0000000 -0.1016290 0.0000000 0.6537631 12 Cu 0.4978224 0.0000000 0.0370563 0.0000000 0.8299581 0.0000000 0.1016290 0.0000000 0.6537631 13 Er 4.0556675 0.0000000 -0.2417894 0.0000000 4.7284115 0.0000000 -0.3831993 0.0000000 3.9678318 14 Er 4.0556675 0.0000000 -0.2417894 0.0000000 4.7284115 0.0000000 -0.3831993 0.0000000 3.9678318 15 Er 4.0556675 0.0000000 0.2417894 0.0000000 4.7284115 0.0000000 0.3831993 0.0000000 3.9678318 16 Er 4.0556675 0.0000000 0.2417894 0.0000000 4.7284115 0.0000000 0.3831993 0.0000000 3.9678318 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (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 ... [ 4 13 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 295, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 105 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 0.971 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.974 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.095 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 7.546 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.602 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 7.849 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.543 ( 0.000 0.000 0.000) 0.000 11.144 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 17.895 0.000 0.000) 17.895 0.532 ( 27.017 0.000 0.000) 27.017 0.798 ( 40.746 0.000 0.000) 40.746 0.889 ( -8.363 0.000 0.000) 8.363 1.418 ( -17.316 0.000 0.000) 17.316 1.981 ( 2.145 0.000 0.000) 2.145 2.034 ( 8.768 0.000 0.000) 8.768 2.068 ( -1.506 0.000 0.000) 1.506 2.173 ( -26.152 0.000 0.000) 26.152 2.309 ( -5.346 0.000 0.000) 5.346 2.526 ( 0.009 0.000 0.000) 0.009 2.526 ( -0.002 0.000 0.000) 0.002 2.566 ( 3.268 0.000 0.000) 3.268 2.671 ( -2.198 0.000 0.000) 2.198 2.798 ( 0.383 0.000 0.000) 0.383 2.816 ( -0.380 0.000 0.000) 0.380 3.093 ( 1.935 0.000 0.000) 1.935 3.116 ( -0.113 0.000 0.000) 0.113 3.189 ( 3.396 0.000 0.000) 3.396 3.364 ( 0.425 0.000 0.000) 0.425 3.822 ( 0.967 0.000 0.000) 0.967 4.085 ( -5.208 0.000 0.000) 5.208 4.177 ( 12.014 0.000 0.000) 12.014 4.530 ( -5.260 0.000 0.000) 5.260 6.331 ( 2.700 0.000 0.000) 2.700 6.488 ( -4.082 0.000 0.000) 4.082 6.581 ( 2.737 0.000 0.000) 2.737 6.689 ( -1.195 0.000 0.000) 1.195 6.983 ( -1.234 0.000 0.000) 1.234 7.014 ( 3.751 0.000 0.000) 3.751 7.041 ( -2.474 0.000 0.000) 2.474 7.137 ( 3.168 0.000 0.000) 3.168 7.158 ( -2.501 0.000 0.000) 2.501 7.266 ( -3.889 0.000 0.000) 3.889 7.447 ( 4.398 0.000 0.000) 4.398 7.562 ( 0.705 0.000 0.000) 0.705 7.564 ( -1.550 0.000 0.000) 1.550 7.595 ( -0.683 0.000 0.000) 0.683 7.811 ( 0.701 0.000 0.000) 0.701 7.843 ( -0.603 0.000 0.000) 0.603 8.331 ( 0.476 0.000 0.000) 0.476 8.354 ( -0.457 0.000 0.000) 0.457 9.675 ( 0.189 0.000 0.000) 0.189 9.683 ( -0.127 0.000 0.000) 0.127 10.004 ( 1.148 0.000 0.000) 1.148 10.061 ( -1.230 0.000 0.000) 1.230 11.151 ( 0.641 0.000 0.000) 0.641 11.181 ( -0.587 0.000 0.000) 0.587 ======================= Grid point 2 (3/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -14.377 0.000 0.000) 14.377 0.668 ( 14.377 0.000 0.000) 14.377 1.014 ( -22.925 0.000 0.000) 22.925 1.014 ( 22.925 0.000 0.000) 22.925 1.555 ( -36.366 0.000 0.000) 36.366 1.555 ( 36.366 0.000 0.000) 36.366 2.028 ( -2.487 0.000 0.000) 2.487 2.028 ( 2.487 0.000 0.000) 2.487 2.189 ( -7.280 0.000 0.000) 7.280 2.189 ( 7.280 0.000 0.000) 7.280 2.526 ( -0.008 0.000 0.000) 0.008 2.526 ( 0.008 0.000 0.000) 0.008 2.629 ( -2.783 0.000 0.000) 2.783 2.629 ( 2.783 0.000 0.000) 2.783 2.807 ( -0.540 0.000 0.000) 0.540 2.807 ( 0.540 0.000 0.000) 0.540 3.111 ( -0.423 0.000 0.000) 0.423 3.111 ( 0.423 0.000 0.000) 0.423 3.285 ( -6.194 0.000 0.000) 6.194 3.285 ( 6.194 0.000 0.000) 6.194 3.946 ( -8.732 0.000 0.000) 8.732 3.946 ( 8.732 0.000 0.000) 8.732 4.387 ( -9.553 0.000 0.000) 9.553 4.387 ( 9.553 0.000 0.000) 9.553 6.402 ( -4.485 0.000 0.000) 4.485 6.402 ( 4.485 0.000 0.000) 4.485 6.644 ( -3.302 0.000 0.000) 3.302 6.644 ( 3.302 0.000 0.000) 3.302 6.992 ( -2.043 0.000 0.000) 2.043 6.992 ( 2.043 0.000 0.000) 2.043 7.093 ( -4.099 0.000 0.000) 4.099 7.093 ( 4.099 0.000 0.000) 4.099 7.199 ( -3.265 0.000 0.000) 3.265 7.199 ( 3.265 0.000 0.000) 3.265 7.520 ( -3.125 0.000 0.000) 3.125 7.520 ( 3.125 0.000 0.000) 3.125 7.579 ( -0.976 0.000 0.000) 0.976 7.579 ( 0.976 0.000 0.000) 0.976 7.828 ( -0.916 0.000 0.000) 0.916 7.828 ( 0.916 0.000 0.000) 0.916 8.343 ( -0.659 0.000 0.000) 0.659 8.343 ( 0.659 0.000 0.000) 0.659 9.680 ( -0.219 0.000 0.000) 0.219 9.680 ( 0.219 0.000 0.000) 0.219 10.032 ( -1.683 0.000 0.000) 1.683 10.032 ( 1.683 0.000 0.000) 1.683 11.166 ( -0.866 0.000 0.000) 0.866 11.166 ( 0.866 0.000 0.000) 0.866 ======================= Grid point 5 (4/105) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 20.178 0.000) 20.178 0.401 ( 0.000 20.685 0.000) 20.685 0.954 ( 0.000 46.104 0.000) 46.104 1.290 ( 0.000 26.268 0.000) 26.268 1.668 ( 0.000 3.858 0.000) 3.858 1.852 ( 0.000 -2.258 0.000) 2.258 1.931 ( 0.000 -2.175 0.000) 2.175 2.229 ( 0.000 11.353 0.000) 11.353 2.339 ( 0.000 -0.531 0.000) 0.531 2.481 ( 0.000 0.830 0.000) 0.830 2.505 ( 0.000 -1.230 0.000) 1.230 2.546 ( 0.000 1.813 0.000) 1.813 2.626 ( 0.000 4.009 0.000) 4.009 2.704 ( 0.000 -2.194 0.000) 2.194 2.832 ( 0.000 3.501 0.000) 3.501 2.834 ( 0.000 2.911 0.000) 2.911 2.898 ( 0.000 4.182 0.000) 4.182 3.104 ( 0.000 -1.230 0.000) 1.230 3.156 ( 0.000 9.878 0.000) 9.878 3.306 ( 0.000 -0.625 0.000) 0.625 3.893 ( 0.000 -2.220 0.000) 2.220 3.938 ( 0.000 -3.206 0.000) 3.206 4.095 ( 0.000 -3.890 0.000) 3.890 4.512 ( 0.000 -3.608 0.000) 3.608 6.467 ( 0.000 0.585 0.000) 0.585 6.507 ( 0.000 -3.509 0.000) 3.509 6.715 ( 0.000 1.782 0.000) 1.782 6.761 ( 0.000 20.893 0.000) 20.893 6.985 ( 0.000 0.674 0.000) 0.674 7.058 ( 0.000 -0.974 0.000) 0.974 7.086 ( 0.000 -0.860 0.000) 0.860 7.220 ( 0.000 3.041 0.000) 3.041 7.327 ( 0.000 -0.667 0.000) 0.667 7.396 ( 0.000 2.330 0.000) 2.330 7.535 ( 0.000 -1.069 0.000) 1.069 7.573 ( 0.000 2.136 0.000) 2.136 7.626 ( 0.000 2.380 0.000) 2.380 7.677 ( 0.000 3.573 0.000) 3.573 7.911 ( 0.000 5.496 0.000) 5.496 7.919 ( 0.000 11.559 0.000) 11.559 8.407 ( 0.000 7.971 0.000) 7.971 8.759 ( 0.000 1.321 0.000) 1.321 9.647 ( 0.000 -2.594 0.000) 2.594 9.658 ( 0.000 -2.580 0.000) 2.580 9.985 ( 0.000 -0.701 0.000) 0.701 10.060 ( 0.000 -1.340 0.000) 1.340 10.518 ( 0.000 -2.412 0.000) 2.412 11.042 ( 0.000 -9.580 0.000) 9.580 ======================= Grid point 6 (5/105) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 20.413 10.625 0.000) 23.013 0.696 ( 19.585 13.991 0.000) 24.069 1.118 ( 16.255 32.087 0.000) 35.969 1.211 ( -7.808 24.806 0.000) 26.006 1.459 ( -14.394 6.343 0.000) 15.729 1.915 ( -3.907 -2.131 0.000) 4.451 1.971 ( 7.412 -1.390 0.000) 7.542 2.234 ( 0.430 11.261 0.000) 11.269 2.264 ( -10.705 2.792 0.000) 11.063 2.356 ( -8.525 6.753 0.000) 10.875 2.527 ( 1.975 -1.778 0.000) 2.658 2.547 ( 0.060 1.997 0.000) 1.998 2.578 ( -1.885 3.545 0.000) 4.015 2.616 ( -3.061 -3.401 0.000) 4.576 2.843 ( 0.868 4.011 0.000) 4.103 2.868 ( 0.802 3.482 0.000) 3.573 3.062 ( 9.461 -2.531 0.000) 9.793 3.112 ( 2.101 -0.655 0.000) 2.200 3.121 ( -1.532 2.766 0.000) 3.162 3.373 ( 0.181 1.694 0.000) 1.704 3.796 ( 0.912 -2.523 0.000) 2.682 4.047 ( -4.950 -3.628 0.000) 6.137 4.138 ( 11.477 -3.523 0.000) 12.006 4.468 ( -4.649 -4.243 0.000) 6.294 6.446 ( -0.839 2.312 0.000) 2.460 6.493 ( -1.505 -2.235 0.000) 2.695 6.762 ( 3.517 2.690 0.000) 4.428 6.769 ( 1.276 18.897 0.000) 18.940 7.012 ( 1.026 0.733 0.000) 1.261 7.050 ( 0.651 0.550 0.000) 0.853 7.068 ( -2.299 0.237 0.000) 2.312 7.194 ( -3.199 4.667 0.000) 5.658 7.286 ( -2.283 1.591 0.000) 2.783 7.381 ( -13.004 14.094 0.000) 19.176 7.453 ( 3.917 0.851 0.000) 4.008 7.571 ( -1.762 1.568 0.000) 2.359 7.591 ( -0.752 3.393 0.000) 3.475 7.620 ( -0.682 2.384 0.000) 2.479 7.900 ( -0.448 8.996 0.000) 9.007 7.908 ( -0.311 5.812 0.000) 5.820 8.416 ( 0.879 8.155 0.000) 8.202 8.538 ( -9.098 11.904 0.000) 14.983 9.649 ( 0.186 -2.619 0.000) 2.626 9.656 ( -0.137 -2.591 0.000) 2.594 9.995 ( 1.044 -0.807 0.000) 1.319 10.048 ( -1.148 -1.260 0.000) 1.705 10.832 ( 15.692 -18.424 0.000) 24.201 11.037 ( -0.697 -10.427 0.000) 10.450 ======================= Grid point 7 (6/105) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -2.384 17.772 0.000) 17.932 0.973 ( 2.384 17.772 0.000) 17.932 1.071 ( -9.444 7.847 0.000) 12.279 1.071 ( 9.444 7.847 0.000) 12.279 1.630 ( -24.173 11.562 0.000) 26.796 1.630 ( 24.173 11.562 0.000) 26.796 2.086 ( -5.159 2.917 0.000) 5.927 2.086 ( 5.159 2.917 0.000) 5.927 2.262 ( -2.994 8.381 0.000) 8.899 2.262 ( 2.994 8.381 0.000) 8.899 2.549 ( -0.079 1.997 0.000) 1.998 2.549 ( 0.079 1.997 0.000) 1.998 2.578 ( -1.640 -3.203 0.000) 3.598 2.578 ( 1.640 -3.203 0.000) 3.598 2.863 ( -0.952 4.230 0.000) 4.336 2.863 ( 0.952 4.230 0.000) 4.336 3.104 ( -0.480 -0.627 0.000) 0.790 3.104 ( 0.480 -0.627 0.000) 0.790 3.267 ( -8.779 0.083 0.000) 8.779 3.267 ( 8.779 0.083 0.000) 8.779 3.915 ( -8.327 -2.933 0.000) 8.828 3.915 ( 8.327 -2.933 0.000) 8.828 4.336 ( -8.955 -4.208 0.000) 9.895 4.336 ( 8.955 -4.208 0.000) 9.895 6.457 ( -1.758 0.972 0.000) 2.009 6.457 ( 1.758 0.972 0.000) 2.009 6.799 ( -0.531 10.986 0.000) 10.999 6.799 ( 0.531 10.986 0.000) 10.999 7.012 ( -1.554 3.325 0.000) 3.670 7.012 ( 1.554 3.325 0.000) 3.670 7.109 ( -4.244 4.024 0.000) 5.848 7.109 ( 4.244 4.024 0.000) 5.848 7.268 ( -0.841 5.430 0.000) 5.494 7.268 ( 0.841 5.430 0.000) 5.494 7.521 ( -3.119 0.557 0.000) 3.168 7.521 ( 3.119 0.557 0.000) 3.168 7.603 ( -0.949 2.418 0.000) 2.597 7.603 ( 0.949 2.418 0.000) 2.597 7.901 ( -0.362 6.793 0.000) 6.803 7.901 ( 0.362 6.793 0.000) 6.803 8.445 ( -2.426 9.151 0.000) 9.467 8.445 ( 2.426 9.151 0.000) 9.467 9.653 ( -0.231 -2.613 0.000) 2.623 9.653 ( 0.231 -2.613 0.000) 2.623 10.021 ( -1.550 -1.046 0.000) 1.870 10.021 ( 1.550 -1.046 0.000) 1.870 11.000 ( -3.988 -13.728 0.000) 14.295 11.000 ( 3.988 -13.728 0.000) 14.295 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.000 21.819 0.000) 21.819 0.822 ( 0.000 21.276 0.000) 21.276 1.704 ( 0.000 15.815 0.000) 15.815 1.803 ( 0.000 21.210 0.000) 21.210 1.839 ( 0.000 1.023 0.000) 1.023 1.879 ( 0.000 29.737 0.000) 29.737 1.896 ( 0.000 -0.948 0.000) 0.948 2.342 ( 0.000 0.972 0.000) 0.972 2.440 ( 0.000 8.179 0.000) 8.179 2.470 ( 0.000 -1.559 0.000) 1.559 2.495 ( 0.000 0.539 0.000) 0.539 2.591 ( 0.000 2.694 0.000) 2.694 2.674 ( 0.000 0.445 0.000) 0.445 2.715 ( 0.000 4.700 0.000) 4.700 2.923 ( 0.000 5.043 0.000) 5.043 2.928 ( 0.000 5.057 0.000) 5.057 3.041 ( 0.000 10.950 0.000) 10.950 3.071 ( 0.000 -2.004 0.000) 2.004 3.306 ( 0.000 0.969 0.000) 0.969 3.404 ( 0.000 14.665 0.000) 14.665 3.829 ( 0.000 -4.277 0.000) 4.277 3.868 ( 0.000 -3.270 0.000) 3.270 3.989 ( 0.000 -6.441 0.000) 6.441 4.405 ( 0.000 -7.074 0.000) 7.074 6.453 ( 0.000 -1.496 0.000) 1.496 6.496 ( 0.000 2.341 0.000) 2.341 6.767 ( 0.000 3.368 0.000) 3.368 6.992 ( 0.000 0.210 0.000) 0.210 7.023 ( 0.000 -2.530 0.000) 2.530 7.063 ( 0.000 -1.435 0.000) 1.435 7.241 ( 0.000 20.270 0.000) 20.270 7.281 ( 0.000 2.880 0.000) 2.880 7.324 ( 0.000 4.624 0.000) 4.624 7.462 ( 0.000 4.306 0.000) 4.306 7.509 ( 0.000 -1.217 0.000) 1.217 7.628 ( 0.000 3.196 0.000) 3.196 7.696 ( 0.000 4.701 0.000) 4.701 7.775 ( 0.000 6.083 0.000) 6.083 8.023 ( 0.000 4.866 0.000) 4.866 8.243 ( 0.000 19.817 0.000) 19.817 8.629 ( 0.000 13.522 0.000) 13.522 8.792 ( 0.000 1.746 0.000) 1.746 9.576 ( 0.000 -4.251 0.000) 4.251 9.587 ( 0.000 -4.394 0.000) 4.394 9.967 ( 0.000 -1.014 0.000) 1.014 10.024 ( 0.000 -2.134 0.000) 2.134 10.450 ( 0.000 -4.298 0.000) 4.298 10.804 ( 0.000 -13.224 0.000) 13.224 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 12.046 17.822 0.000) 21.511 0.966 ( 13.592 14.940 0.000) 20.197 1.511 ( -14.577 9.138 0.000) 17.205 1.588 ( -15.136 9.467 0.000) 17.853 1.931 ( 5.991 33.766 0.000) 34.294 1.980 ( 8.494 2.747 0.000) 8.927 2.008 ( 4.350 10.899 0.000) 11.735 2.311 ( -3.872 3.692 0.000) 5.350 2.445 ( 0.374 8.248 0.000) 8.256 2.463 ( -0.814 1.511 0.000) 1.716 2.505 ( 0.927 0.100 0.000) 0.932 2.581 ( -2.078 2.461 0.000) 3.221 2.619 ( -2.876 3.887 0.000) 4.835 2.671 ( -3.340 5.603 0.000) 6.523 2.930 ( 0.512 4.011 0.000) 4.044 2.935 ( 0.481 3.396 0.000) 3.430 3.060 ( 1.272 -0.394 0.000) 1.332 3.155 ( 8.178 7.320 0.000) 10.975 3.189 ( -6.369 3.786 0.000) 7.409 3.472 ( -1.953 8.729 0.000) 8.945 3.729 ( 1.190 -3.735 0.000) 3.920 3.950 ( -4.044 -5.766 0.000) 7.043 4.052 ( 10.431 -4.880 0.000) 11.516 4.360 ( -4.641 -6.822 0.000) 8.250 6.456 ( 0.295 -0.887 0.000) 0.934 6.481 ( -1.118 2.051 0.000) 2.336 6.813 ( 4.134 2.844 0.000) 5.018 6.966 ( -2.587 0.886 0.000) 2.734 7.025 ( 0.209 -1.363 0.000) 1.379 7.053 ( -0.912 -1.247 0.000) 1.545 7.247 ( 0.291 10.920 0.000) 10.924 7.273 ( -0.824 3.140 0.000) 3.246 7.345 ( 2.676 10.136 0.000) 10.483 7.485 ( -2.504 0.548 0.000) 2.563 7.503 ( 3.878 5.646 0.000) 6.850 7.631 ( 0.010 3.475 0.000) 3.475 7.690 ( -0.566 4.872 0.000) 4.905 7.737 ( -3.837 9.164 0.000) 9.935 8.032 ( 1.082 5.905 0.000) 6.004 8.170 ( -6.190 17.231 0.000) 18.310 8.635 ( 0.714 13.166 0.000) 13.185 8.723 ( -4.696 7.344 0.000) 8.717 9.577 ( 0.122 -4.340 0.000) 4.342 9.585 ( -0.165 -4.409 0.000) 4.412 9.974 ( 0.757 -1.192 0.000) 1.412 10.015 ( -0.910 -1.984 0.000) 2.183 10.569 ( 9.413 -9.693 0.000) 13.511 10.788 ( -1.861 -13.379 0.000) 13.508 ======================= Grid point 12 (9/105) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -14.278 10.811 0.000) 17.909 1.205 ( 14.278 10.811 0.000) 17.909 1.278 ( -15.302 9.793 0.000) 18.168 1.278 ( 15.302 9.793 0.000) 18.168 2.022 ( -2.563 16.659 0.000) 16.855 2.022 ( 2.563 16.659 0.000) 16.855 2.168 ( -10.323 11.576 0.000) 15.510 2.168 ( 10.323 11.576 0.000) 15.510 2.450 ( -0.258 7.633 0.000) 7.637 2.450 ( 0.258 7.633 0.000) 7.637 2.529 ( -1.816 0.183 0.000) 1.825 2.529 ( 1.816 0.183 0.000) 1.825 2.620 ( -1.697 4.388 0.000) 4.705 2.620 ( 1.697 4.388 0.000) 4.705 2.938 ( -0.218 2.850 0.000) 2.859 2.938 ( 0.218 2.850 0.000) 2.859 3.099 ( -3.155 0.696 0.000) 3.231 3.099 ( 3.155 0.696 0.000) 3.231 3.332 ( -9.611 6.551 0.000) 11.632 3.332 ( 9.611 6.551 0.000) 11.632 3.840 ( -7.065 -4.020 0.000) 8.128 3.840 ( 7.065 -4.020 0.000) 8.128 4.234 ( -8.328 -6.088 0.000) 10.316 4.234 ( 8.328 -6.088 0.000) 10.316 6.464 ( -0.587 0.688 0.000) 0.904 6.464 ( 0.587 0.688 0.000) 0.904 6.898 ( -4.349 1.964 0.000) 4.772 6.898 ( 4.349 1.964 0.000) 4.772 7.035 ( -0.861 -0.819 0.000) 1.188 7.035 ( 0.861 -0.819 0.000) 1.188 7.256 ( -0.762 4.454 0.000) 4.518 7.256 ( 0.762 4.454 0.000) 4.518 7.417 ( -4.261 7.096 0.000) 8.277 7.417 ( 4.261 7.096 0.000) 8.277 7.592 ( -4.672 8.008 0.000) 9.271 7.592 ( 4.672 8.008 0.000) 9.271 7.683 ( -0.401 6.725 0.000) 6.737 7.683 ( 0.401 6.725 0.000) 6.737 8.072 ( -3.421 10.014 0.000) 10.583 8.072 ( 3.421 10.014 0.000) 10.583 8.660 ( -2.047 11.719 0.000) 11.897 8.660 ( 2.047 11.719 0.000) 11.897 9.581 ( -0.244 -4.419 0.000) 4.426 9.581 ( 0.244 -4.419 0.000) 4.426 9.994 ( -1.175 -1.601 0.000) 1.986 9.994 ( 1.175 -1.601 0.000) 1.986 10.720 ( -5.667 -13.208 0.000) 14.372 10.720 ( 5.667 -13.208 0.000) 14.372 ======================= Grid point 15 (10/105) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 20.193 0.000) 20.193 1.236 ( 0.000 20.060 0.000) 20.060 1.881 ( 0.000 7.337 0.000) 7.337 1.886 ( 0.000 3.375 0.000) 3.375 1.905 ( 0.000 2.015 0.000) 2.015 2.054 ( 0.000 5.108 0.000) 5.108 2.344 ( 0.000 -1.517 0.000) 1.517 2.400 ( 0.000 8.976 0.000) 8.976 2.431 ( 0.000 -2.277 0.000) 2.277 2.541 ( 0.000 2.738 0.000) 2.738 2.633 ( 0.000 19.276 0.000) 19.276 2.650 ( 0.000 2.279 0.000) 2.279 2.766 ( 0.000 8.269 0.000) 8.269 2.804 ( 0.000 4.027 0.000) 4.027 3.001 ( 0.000 2.210 0.000) 2.210 3.002 ( 0.000 2.657 0.000) 2.657 3.040 ( 0.000 0.220 0.000) 0.220 3.329 ( 0.000 16.611 0.000) 16.611 3.341 ( 0.000 1.805 0.000) 1.805 3.696 ( 0.000 4.417 0.000) 4.417 3.745 ( 0.000 5.464 0.000) 5.464 3.848 ( 0.000 2.656 0.000) 2.656 3.859 ( 0.000 -5.834 0.000) 5.834 4.237 ( 0.000 -9.449 0.000) 9.449 6.449 ( 0.000 0.855 0.000) 0.855 6.559 ( 0.000 3.948 0.000) 3.948 6.846 ( 0.000 4.487 0.000) 4.487 6.954 ( 0.000 -4.378 0.000) 4.378 7.000 ( 0.000 0.646 0.000) 0.646 7.031 ( 0.000 -1.720 0.000) 1.720 7.283 ( 0.000 -0.926 0.000) 0.926 7.321 ( 0.000 0.399 0.000) 0.399 7.511 ( 0.000 2.245 0.000) 2.245 7.573 ( 0.000 6.901 0.000) 6.901 7.684 ( 0.000 12.712 0.000) 12.712 7.692 ( 0.000 3.016 0.000) 3.016 7.852 ( 0.000 13.397 0.000) 13.397 7.913 ( 0.000 7.582 0.000) 7.582 8.099 ( 0.000 3.073 0.000) 3.073 8.652 ( 0.000 20.025 0.000) 20.025 8.818 ( 0.000 0.629 0.000) 0.629 8.901 ( 0.000 12.592 0.000) 12.592 9.488 ( 0.000 -4.352 0.000) 4.352 9.488 ( 0.000 -5.416 0.000) 5.416 9.948 ( 0.000 -0.803 0.000) 0.803 9.984 ( 0.000 -1.660 0.000) 1.660 10.352 ( 0.000 -5.510 0.000) 5.510 10.552 ( 0.000 -11.559 0.000) 11.559 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 5.391 16.724 0.000) 17.572 1.294 ( 6.741 18.023 0.000) 19.242 1.691 ( -10.886 9.027 0.000) 14.142 1.700 ( -13.575 4.724 0.000) 14.373 2.033 ( 6.691 3.324 0.000) 7.471 2.166 ( 3.138 4.532 0.000) 5.513 2.354 ( 1.785 -1.289 0.000) 2.201 2.404 ( 0.082 5.980 0.000) 5.981 2.463 ( 3.429 -0.830 0.000) 3.529 2.546 ( 0.246 2.632 0.000) 2.643 2.653 ( 0.605 2.267 0.000) 2.347 2.660 ( 2.606 18.951 0.000) 19.130 2.754 ( -1.339 9.838 0.000) 9.928 2.776 ( -3.200 4.181 0.000) 5.265 2.983 ( -0.842 1.918 0.000) 2.095 2.996 ( -0.508 2.400 0.000) 2.453 3.069 ( 2.862 2.728 0.000) 3.954 3.277 ( -5.842 4.946 0.000) 7.655 3.378 ( 4.659 13.216 0.000) 14.013 3.621 ( -7.055 -0.315 0.000) 7.062 3.746 ( 2.716 11.437 0.000) 11.755 3.844 ( -1.542 -3.724 0.000) 4.030 3.960 ( 7.691 -3.359 0.000) 8.392 4.200 ( -3.748 -8.830 0.000) 9.592 6.462 ( 1.310 1.271 0.000) 1.825 6.536 ( -2.036 3.476 0.000) 4.028 6.879 ( 2.853 3.709 0.000) 4.679 6.951 ( -0.383 -2.895 0.000) 2.920 7.002 ( 0.130 0.152 0.000) 0.200 7.022 ( -0.821 -1.818 0.000) 1.995 7.284 ( 0.131 -0.518 0.000) 0.534 7.311 ( -0.910 0.301 0.000) 0.958 7.511 ( 0.101 3.147 0.000) 3.149 7.546 ( -1.878 7.263 0.000) 7.502 7.700 ( 0.778 3.340 0.000) 3.430 7.709 ( 1.376 8.215 0.000) 8.330 7.864 ( 1.328 13.641 0.000) 13.706 7.909 ( -0.435 8.305 0.000) 8.316 8.143 ( 4.824 5.753 0.000) 7.508 8.509 ( -11.504 14.608 0.000) 18.594 8.864 ( 2.446 7.687 0.000) 8.067 8.900 ( -0.142 12.338 0.000) 12.338 9.486 ( -0.158 -4.594 0.000) 4.596 9.487 ( -0.125 -5.340 0.000) 5.341 9.952 ( 0.428 -0.943 0.000) 1.036 9.977 ( -0.605 -1.529 0.000) 1.644 10.403 ( 4.524 -7.484 0.000) 8.745 10.538 ( -1.537 -11.307 0.000) 11.411 ======================= Grid point 17 (12/105) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -2.922 10.916 0.000) 11.300 1.420 ( 2.922 10.916 0.000) 11.300 1.505 ( -2.597 12.699 0.000) 12.962 1.505 ( 2.597 12.699 0.000) 12.962 2.140 ( -4.295 2.912 0.000) 5.189 2.140 ( 4.295 2.912 0.000) 5.189 2.392 ( -1.413 1.790 0.000) 2.281 2.392 ( 1.413 1.790 0.000) 2.281 2.533 ( -2.311 1.996 0.000) 3.054 2.533 ( 2.311 1.996 0.000) 3.054 2.694 ( -4.059 3.501 0.000) 5.360 2.694 ( 4.059 3.501 0.000) 5.360 2.715 ( -2.618 13.898 0.000) 14.143 2.715 ( 2.618 13.898 0.000) 14.143 2.984 ( -0.620 2.529 0.000) 2.604 2.984 ( 0.620 2.529 0.000) 2.604 3.155 ( -6.076 5.696 0.000) 8.329 3.155 ( 6.076 5.696 0.000) 8.329 3.488 ( -6.598 6.919 0.000) 9.560 3.488 ( 6.598 6.919 0.000) 9.560 3.802 ( -2.795 2.262 0.000) 3.596 3.802 ( 2.795 2.262 0.000) 3.596 4.100 ( -6.587 -6.923 0.000) 9.556 4.100 ( 6.587 -6.923 0.000) 9.556 6.495 ( -2.093 2.337 0.000) 3.138 6.495 ( 2.093 2.337 0.000) 3.138 6.930 ( -2.020 1.028 0.000) 2.266 6.930 ( 2.020 1.028 0.000) 2.266 7.007 ( -0.562 -1.378 0.000) 1.489 7.007 ( 0.562 -1.378 0.000) 1.489 7.293 ( -0.844 0.045 0.000) 0.845 7.293 ( 0.844 0.045 0.000) 0.845 7.519 ( -0.855 5.345 0.000) 5.413 7.519 ( 0.855 5.345 0.000) 5.413 7.715 ( -0.545 4.489 0.000) 4.522 7.715 ( 0.545 4.489 0.000) 4.522 7.893 ( -1.313 10.884 0.000) 10.963 7.893 ( 1.313 10.884 0.000) 10.963 8.289 ( -10.351 11.169 0.000) 15.228 8.289 ( 10.351 11.169 0.000) 15.228 8.893 ( -0.751 11.192 0.000) 11.217 8.893 ( 0.751 11.192 0.000) 11.217 9.485 ( -0.068 -5.057 0.000) 5.057 9.485 ( 0.068 -5.057 0.000) 5.057 9.964 ( -0.737 -1.235 0.000) 1.438 9.964 ( 0.737 -1.235 0.000) 1.438 10.488 ( -3.761 -10.142 0.000) 10.817 10.488 ( 3.761 -10.142 0.000) 10.817 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 0.000 15.913 0.000) 15.913 1.610 ( 0.000 17.309 0.000) 17.309 1.960 ( 0.000 3.701 0.000) 3.701 1.979 ( 0.000 5.343 0.000) 5.343 2.005 ( 0.000 4.718 0.000) 4.718 2.085 ( 0.000 -0.619 0.000) 0.619 2.303 ( 0.000 -2.037 0.000) 2.037 2.379 ( 0.000 -2.896 0.000) 2.896 2.461 ( 0.000 1.313 0.000) 1.313 2.579 ( 0.000 1.542 0.000) 1.542 2.666 ( 0.000 -0.798 0.000) 0.798 2.833 ( 0.000 -1.327 0.000) 1.327 2.889 ( 0.000 3.838 0.000) 3.838 2.914 ( 0.000 5.581 0.000) 5.581 3.023 ( 0.000 0.204 0.000) 0.204 3.031 ( 0.000 0.356 0.000) 0.356 3.204 ( 0.000 13.530 0.000) 13.530 3.343 ( 0.000 -1.566 0.000) 1.566 3.580 ( 0.000 -6.961 0.000) 6.961 3.639 ( 0.000 12.675 0.000) 12.675 3.802 ( 0.000 1.610 0.000) 1.610 4.000 ( 0.000 11.586 0.000) 11.586 4.032 ( 0.000 14.159 0.000) 14.159 4.054 ( 0.000 -7.543 0.000) 7.543 6.479 ( 0.000 2.043 0.000) 2.043 6.647 ( 0.000 4.671 0.000) 4.671 6.855 ( 0.000 -5.345 0.000) 5.345 6.940 ( 0.000 4.646 0.000) 4.646 6.996 ( 0.000 -1.754 0.000) 1.754 7.019 ( 0.000 1.237 0.000) 1.237 7.261 ( 0.000 -1.381 0.000) 1.381 7.294 ( 0.000 -2.575 0.000) 2.575 7.599 ( 0.000 5.784 0.000) 5.784 7.732 ( 0.000 8.736 0.000) 8.736 7.744 ( 0.000 2.198 0.000) 2.198 7.834 ( 0.000 5.333 0.000) 5.333 8.075 ( 0.000 8.683 0.000) 8.683 8.143 ( 0.000 12.662 0.000) 12.662 8.159 ( 0.000 3.292 0.000) 3.292 8.807 ( 0.000 -1.912 0.000) 1.912 9.004 ( 0.000 14.790 0.000) 14.790 9.091 ( 0.000 6.001 0.000) 6.001 9.373 ( 0.000 -6.139 0.000) 6.139 9.413 ( 0.000 -2.943 0.000) 2.943 9.937 ( 0.000 -0.238 0.000) 0.238 9.970 ( 0.000 0.528 0.000) 0.528 10.235 ( 0.000 -6.094 0.000) 6.094 10.356 ( 0.000 -8.052 0.000) 8.052 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.650 15.682 0.000) 15.696 1.621 ( 3.067 14.384 0.000) 14.707 1.813 ( -8.780 6.680 0.000) 11.032 1.858 ( -6.439 7.434 0.000) 9.835 2.091 ( 5.009 2.051 0.000) 5.412 2.233 ( 2.018 2.504 0.000) 3.216 2.301 ( 4.888 -2.925 0.000) 5.696 2.420 ( 4.134 -3.276 0.000) 5.275 2.446 ( -1.525 1.145 0.000) 1.907 2.577 ( -0.492 0.915 0.000) 1.039 2.666 ( 0.189 -0.855 0.000) 0.876 2.786 ( -4.652 -2.272 0.000) 5.177 2.894 ( 0.414 4.244 0.000) 4.264 2.911 ( -0.318 5.421 0.000) 5.430 3.025 ( 0.164 0.518 0.000) 0.543 3.029 ( -0.118 0.989 0.000) 0.996 3.237 ( 3.048 11.025 0.000) 11.438 3.332 ( -1.146 -0.121 0.000) 1.153 3.582 ( -0.046 -3.567 0.000) 3.567 3.601 ( -2.365 8.072 0.000) 8.412 3.863 ( 4.780 6.058 0.000) 7.717 3.987 ( -1.105 8.373 0.000) 8.446 4.021 ( -1.084 12.831 0.000) 12.877 4.040 ( -1.406 -5.541 0.000) 5.716 6.499 ( 2.042 2.361 0.000) 3.122 6.614 ( -2.965 4.190 0.000) 5.133 6.870 ( 1.523 -4.735 0.000) 4.974 6.945 ( -0.670 1.443 0.000) 1.591 6.993 ( 0.633 0.296 0.000) 0.699 7.022 ( 0.139 1.501 0.000) 1.507 7.264 ( 0.340 -1.382 0.000) 1.423 7.288 ( -0.592 -2.196 0.000) 2.275 7.611 ( 1.259 6.151 0.000) 6.278 7.702 ( -2.713 8.278 0.000) 8.711 7.760 ( 1.529 2.612 0.000) 3.027 7.825 ( -1.025 4.711 0.000) 4.821 8.075 ( 0.070 8.572 0.000) 8.572 8.093 ( -1.542 8.242 0.000) 8.385 8.283 ( 8.830 7.865 0.000) 11.824 8.689 ( -10.037 3.631 0.000) 10.674 9.046 ( 2.611 9.695 0.000) 10.040 9.090 ( -0.186 6.206 0.000) 6.208 9.376 ( 0.379 -5.679 0.000) 5.692 9.405 ( -0.809 -3.281 0.000) 3.380 9.941 ( 0.382 -0.142 0.000) 0.408 9.965 ( -0.542 0.455 0.000) 0.708 10.263 ( 2.551 -6.602 0.000) 7.077 10.346 ( -1.063 -7.943 0.000) 8.014 ======================= Grid point 22 (15/105) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -2.327 11.637 0.000) 11.867 1.646 ( 2.327 11.637 0.000) 11.867 1.748 ( -3.770 11.115 0.000) 11.737 1.748 ( 3.770 11.115 0.000) 11.737 2.180 ( -4.238 0.732 0.000) 4.301 2.180 ( 4.238 0.732 0.000) 4.301 2.402 ( -3.314 0.848 0.000) 3.421 2.402 ( 3.314 0.848 0.000) 3.421 2.531 ( -5.285 -1.907 0.000) 5.618 2.531 ( 5.285 -1.907 0.000) 5.618 2.693 ( -3.466 -1.884 0.000) 3.945 2.693 ( 3.466 -1.884 0.000) 3.945 2.903 ( -0.475 4.956 0.000) 4.978 2.903 ( 0.475 4.956 0.000) 4.978 3.027 ( -0.084 1.039 0.000) 1.043 3.027 ( 0.084 1.039 0.000) 1.043 3.296 ( -2.683 4.817 0.000) 5.514 3.296 ( 2.683 4.817 0.000) 5.514 3.578 ( -0.064 3.139 0.000) 3.140 3.578 ( 0.064 3.139 0.000) 3.140 3.947 ( -3.504 8.464 0.000) 9.161 3.947 ( 3.504 8.464 0.000) 9.161 4.013 ( -0.836 2.000 0.000) 2.167 4.013 ( 0.836 2.000 0.000) 2.167 6.552 ( -3.248 3.203 0.000) 4.562 6.552 ( 3.248 3.203 0.000) 4.562 6.909 ( -2.392 -2.969 0.000) 3.813 6.909 ( 2.392 -2.969 0.000) 3.813 7.015 ( -0.949 2.078 0.000) 2.284 7.015 ( 0.949 2.078 0.000) 2.284 7.274 ( -0.702 -1.608 0.000) 1.754 7.274 ( 0.702 -1.608 0.000) 1.754 7.648 ( -2.568 7.168 0.000) 7.614 7.648 ( 2.568 7.168 0.000) 7.614 7.795 ( -1.917 3.583 0.000) 4.063 7.795 ( 1.917 3.583 0.000) 4.063 8.078 ( -0.287 8.325 0.000) 8.329 8.078 ( 0.287 8.325 0.000) 8.329 8.478 ( -11.263 7.092 0.000) 13.309 8.478 ( 11.263 7.092 0.000) 13.309 9.080 ( -1.009 7.026 0.000) 7.098 9.080 ( 1.009 7.026 0.000) 7.098 9.388 ( -0.827 -4.453 0.000) 4.529 9.388 ( 0.827 -4.453 0.000) 4.529 9.952 ( -0.720 0.186 0.000) 0.744 9.952 ( 0.720 0.186 0.000) 0.744 10.314 ( -2.355 -7.469 0.000) 7.831 10.314 ( 2.355 -7.469 0.000) 7.831 ======================= Grid point 25 (16/105) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.000 10.569 0.000) 10.569 1.915 ( 0.000 12.517 0.000) 12.517 2.030 ( 0.000 4.074 0.000) 4.074 2.061 ( 0.000 1.084 0.000) 1.084 2.065 ( 0.000 -0.831 0.000) 0.831 2.106 ( 0.000 6.698 0.000) 6.698 2.264 ( 0.000 -2.134 0.000) 2.134 2.324 ( 0.000 -1.975 0.000) 1.975 2.466 ( 0.000 -1.431 0.000) 1.431 2.614 ( 0.000 2.071 0.000) 2.071 2.614 ( 0.000 -4.362 0.000) 4.362 2.766 ( 0.000 -3.976 0.000) 3.976 2.945 ( 0.000 2.126 0.000) 2.126 2.990 ( 0.000 2.324 0.000) 2.324 3.019 ( 0.000 -0.326 0.000) 0.326 3.024 ( 0.000 -0.873 0.000) 0.873 3.309 ( 0.000 -1.107 0.000) 1.107 3.379 ( 0.000 4.851 0.000) 4.851 3.453 ( 0.000 -5.530 0.000) 5.530 3.717 ( 0.000 -4.830 0.000) 4.830 3.937 ( 0.000 9.845 0.000) 9.845 4.040 ( 0.000 5.782 0.000) 5.782 4.237 ( 0.000 10.778 0.000) 10.778 4.272 ( 0.000 9.667 0.000) 9.667 6.525 ( 0.000 2.526 0.000) 2.526 6.740 ( 0.000 4.559 0.000) 4.559 6.749 ( 0.000 -5.167 0.000) 5.167 6.949 ( 0.000 -2.333 0.000) 2.333 7.036 ( 0.000 4.280 0.000) 4.280 7.052 ( 0.000 2.180 0.000) 2.180 7.225 ( 0.000 -2.276 0.000) 2.276 7.236 ( 0.000 -3.026 0.000) 3.026 7.709 ( 0.000 4.698 0.000) 4.698 7.779 ( 0.000 1.259 0.000) 1.259 7.894 ( 0.000 6.765 0.000) 6.765 7.925 ( 0.000 3.821 0.000) 3.821 8.240 ( 0.000 4.975 0.000) 4.975 8.257 ( 0.000 9.558 0.000) 9.558 8.330 ( 0.000 6.276 0.000) 6.276 8.739 ( 0.000 -4.877 0.000) 4.877 9.143 ( 0.000 -0.114 0.000) 0.114 9.232 ( 0.000 8.186 0.000) 8.186 9.249 ( 0.000 -6.043 0.000) 6.043 9.375 ( 0.000 -1.012 0.000) 1.012 9.939 ( 0.000 0.493 0.000) 0.493 10.004 ( 0.000 2.684 0.000) 2.684 10.115 ( 0.000 -5.725 0.000) 5.725 10.226 ( 0.000 -5.246 0.000) 5.246 ======================= Grid point 26 (17/105) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 0.547 9.680 0.000) 9.695 1.897 ( -1.575 12.190 0.000) 12.291 1.955 ( -3.889 6.980 0.000) 7.990 1.983 ( -2.970 5.663 0.000) 6.395 2.107 ( 2.969 -0.338 0.000) 2.988 2.223 ( -2.561 -2.711 0.000) 3.729 2.287 ( 10.477 -0.861 0.000) 10.512 2.361 ( 2.951 -0.413 0.000) 2.980 2.450 ( -1.639 -1.752 0.000) 2.399 2.596 ( -2.339 1.321 0.000) 2.686 2.622 ( 0.803 -3.477 0.000) 3.568 2.718 ( -4.379 -3.442 0.000) 5.569 2.953 ( 0.787 2.173 0.000) 2.311 2.984 ( -0.574 2.283 0.000) 2.354 3.024 ( 0.386 -0.343 0.000) 0.516 3.027 ( 0.259 -0.743 0.000) 0.787 3.314 ( 0.613 -0.589 0.000) 0.851 3.364 ( -1.433 3.332 0.000) 3.627 3.484 ( 3.036 -5.372 0.000) 6.171 3.655 ( -4.946 -3.702 0.000) 6.178 3.999 ( 5.035 8.385 0.000) 9.781 4.085 ( 4.389 7.289 0.000) 8.508 4.196 ( -3.948 10.598 0.000) 11.310 4.250 ( -2.464 9.330 0.000) 9.649 6.551 ( 2.620 2.774 0.000) 3.816 6.698 ( -3.775 4.188 0.000) 5.638 6.773 ( 2.500 -4.796 0.000) 5.409 6.914 ( -3.416 -2.819 0.000) 4.429 7.052 ( 1.254 3.766 0.000) 3.969 7.059 ( 0.623 2.312 0.000) 2.395 7.228 ( 0.309 -2.232 0.000) 2.253 7.238 ( 0.060 -2.673 0.000) 2.673 7.727 ( 1.941 5.020 0.000) 5.382 7.802 ( 2.275 1.573 0.000) 2.766 7.854 ( -3.563 6.410 0.000) 7.334 7.906 ( -1.993 3.348 0.000) 3.896 8.234 ( 0.060 6.821 0.000) 6.821 8.253 ( -0.387 9.280 0.000) 9.288 8.410 ( 7.024 4.291 0.000) 8.231 8.691 ( -5.003 -2.807 0.000) 5.737 9.147 ( 0.490 0.221 0.000) 0.538 9.203 ( -2.356 5.684 0.000) 6.153 9.266 ( 1.782 -5.201 0.000) 5.498 9.359 ( -1.766 -1.454 0.000) 2.287 9.949 ( 0.992 1.000 0.000) 1.409 9.996 ( -0.854 2.527 0.000) 2.667 10.142 ( 2.326 -5.551 0.000) 6.019 10.217 ( -1.000 -5.287 0.000) 5.381 ======================= Grid point 27 (18/105) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -0.900 10.415 0.000) 10.454 1.870 ( 0.900 10.415 0.000) 10.454 1.937 ( -1.427 7.988 0.000) 8.115 1.937 ( 1.427 7.988 0.000) 8.115 2.165 ( -3.148 -1.857 0.000) 3.655 2.165 ( 3.148 -1.857 0.000) 3.655 2.408 ( -2.769 -3.102 0.000) 4.158 2.408 ( 2.769 -3.102 0.000) 4.158 2.491 ( -8.735 0.516 0.000) 8.750 2.491 ( 8.735 0.516 0.000) 8.750 2.648 ( -2.208 -2.267 0.000) 3.164 2.648 ( 2.208 -2.267 0.000) 3.164 2.970 ( -0.881 2.251 0.000) 2.417 2.970 ( 0.881 2.251 0.000) 2.417 3.029 ( -0.083 -0.504 0.000) 0.511 3.029 ( 0.083 -0.504 0.000) 0.511 3.334 ( -1.448 0.934 0.000) 1.723 3.334 ( 1.448 0.934 0.000) 1.723 3.560 ( -4.707 -4.543 0.000) 6.542 3.560 ( 4.707 -4.543 0.000) 6.542 4.102 ( -5.494 9.574 0.000) 11.038 4.102 ( 5.494 9.574 0.000) 11.038 4.179 ( -4.781 8.574 0.000) 9.817 4.179 ( 4.781 8.574 0.000) 9.817 6.618 ( -4.186 3.430 0.000) 5.412 6.618 ( 4.186 3.430 0.000) 5.412 6.838 ( -4.044 -3.867 0.000) 5.596 6.838 ( 4.044 -3.867 0.000) 5.596 7.067 ( -0.086 2.863 0.000) 2.864 7.067 ( 0.086 2.863 0.000) 2.864 7.235 ( -0.312 -2.279 0.000) 2.300 7.235 ( 0.312 -2.279 0.000) 2.300 7.782 ( -3.609 5.750 0.000) 6.789 7.782 ( 3.609 5.750 0.000) 6.789 7.855 ( -3.011 2.370 0.000) 3.832 7.855 ( 3.011 2.370 0.000) 3.832 8.243 ( -0.654 8.413 0.000) 8.438 8.243 ( 0.654 8.413 0.000) 8.438 8.561 ( -8.022 1.199 0.000) 8.111 8.561 ( 8.022 1.199 0.000) 8.111 9.165 ( -1.437 1.997 0.000) 2.460 9.165 ( 1.437 1.997 0.000) 2.460 9.312 ( -2.785 -3.269 0.000) 4.294 9.312 ( 2.785 -3.269 0.000) 4.294 9.973 ( -1.414 1.951 0.000) 2.409 9.973 ( 1.414 1.951 0.000) 2.409 10.187 ( -2.117 -5.381 0.000) 5.782 10.187 ( 2.117 -5.381 0.000) 5.782 ======================= Grid point 30 (19/105) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.000 5.074 0.000) 5.074 2.034 ( 0.000 1.955 0.000) 1.955 2.056 ( 0.000 -0.459 0.000) 0.459 2.061 ( 0.000 -0.841 0.000) 0.841 2.187 ( 0.000 1.080 0.000) 1.080 2.199 ( 0.000 10.579 0.000) 10.579 2.216 ( 0.000 -2.339 0.000) 2.339 2.359 ( 0.000 6.008 0.000) 6.008 2.381 ( 0.000 -7.163 0.000) 7.163 2.499 ( 0.000 -6.950 0.000) 6.950 2.658 ( 0.000 2.254 0.000) 2.254 2.703 ( 0.000 -2.395 0.000) 2.395 2.978 ( 0.000 1.337 0.000) 1.337 3.002 ( 0.000 -1.158 0.000) 1.158 3.014 ( 0.000 0.323 0.000) 0.323 3.015 ( 0.000 -0.037 0.000) 0.037 3.313 ( 0.000 1.495 0.000) 1.495 3.364 ( 0.000 -3.522 0.000) 3.522 3.467 ( 0.000 4.946 0.000) 4.946 3.585 ( 0.000 -6.783 0.000) 6.783 4.103 ( 0.000 5.527 0.000) 5.527 4.136 ( 0.000 2.151 0.000) 2.151 4.393 ( 0.000 4.354 0.000) 4.354 4.403 ( 0.000 3.215 0.000) 3.215 6.581 ( 0.000 3.163 0.000) 3.163 6.654 ( 0.000 -4.240 0.000) 4.240 6.825 ( 0.000 3.933 0.000) 3.933 6.895 ( 0.000 -3.118 0.000) 3.118 7.106 ( 0.000 3.137 0.000) 3.137 7.113 ( 0.000 3.454 0.000) 3.454 7.170 ( 0.000 -3.149 0.000) 3.149 7.176 ( 0.000 -2.980 0.000) 2.980 7.776 ( 0.000 1.981 0.000) 1.981 7.793 ( 0.000 0.064 0.000) 0.064 7.981 ( 0.000 1.662 0.000) 1.662 7.981 ( 0.000 1.891 0.000) 1.891 8.346 ( 0.000 4.809 0.000) 4.809 8.396 ( 0.000 0.306 0.000) 0.306 8.447 ( 0.000 9.254 0.000) 9.254 8.615 ( 0.000 -7.471 0.000) 7.471 9.125 ( 0.000 -0.620 0.000) 0.620 9.150 ( 0.000 -3.371 0.000) 3.371 9.338 ( 0.000 2.832 0.000) 2.832 9.365 ( 0.000 -0.381 0.000) 0.381 9.961 ( 0.000 1.786 0.000) 1.786 10.017 ( 0.000 -3.959 0.000) 3.959 10.066 ( 0.000 3.381 0.000) 3.381 10.138 ( 0.000 -3.855 0.000) 3.855 ======================= Grid point 31 (20/105) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 0.773 5.996 0.000) 6.046 2.030 ( -0.226 2.971 0.000) 2.980 2.062 ( 0.340 2.645 0.000) 2.666 2.073 ( 1.002 -1.222 0.000) 1.580 2.170 ( -2.603 9.959 0.000) 10.294 2.174 ( -2.396 -1.355 0.000) 2.753 2.215 ( 2.326 -4.307 0.000) 4.895 2.353 ( -2.800 -7.650 0.000) 8.147 2.426 ( 5.754 5.126 0.000) 7.707 2.533 ( 3.174 -5.206 0.000) 6.098 2.631 ( -2.933 2.001 0.000) 3.551 2.668 ( -3.167 -1.805 0.000) 3.645 2.986 ( 0.701 1.243 0.000) 1.426 3.008 ( 0.474 -1.060 0.000) 1.161 3.010 ( -0.356 0.562 0.000) 0.665 3.017 ( 0.066 -0.313 0.000) 0.319 3.328 ( 1.577 1.981 0.000) 2.532 3.388 ( 2.557 -4.023 0.000) 4.766 3.434 ( -3.023 4.366 0.000) 5.310 3.541 ( -4.047 -6.147 0.000) 7.360 4.154 ( 4.862 5.439 0.000) 7.295 4.189 ( 4.844 2.088 0.000) 5.275 4.355 ( -3.714 4.749 0.000) 6.028 4.374 ( -3.068 2.808 0.000) 4.159 6.610 ( 3.001 3.271 0.000) 4.439 6.684 ( 2.996 -4.114 0.000) 5.089 6.779 ( -4.244 3.849 0.000) 5.730 6.851 ( -4.127 -3.415 0.000) 5.357 7.113 ( 0.703 3.056 0.000) 3.136 7.123 ( 0.634 3.274 0.000) 3.335 7.175 ( 0.480 -3.012 0.000) 3.050 7.183 ( 0.420 -2.823 0.000) 2.854 7.800 ( 2.483 2.224 0.000) 3.333 7.820 ( 2.652 0.080 0.000) 2.653 7.941 ( -3.562 2.308 0.000) 4.244 7.952 ( -2.902 1.082 0.000) 3.098 8.366 ( 1.932 5.906 0.000) 6.214 8.437 ( -1.062 8.863 0.000) 8.926 8.442 ( 4.212 -1.233 0.000) 4.388 8.594 ( -2.278 -6.626 0.000) 7.007 9.141 ( 1.759 0.184 0.000) 1.768 9.177 ( 2.748 -3.456 0.000) 4.415 9.284 ( -4.602 2.981 0.000) 5.483 9.331 ( -3.544 -1.758 0.000) 3.956 9.982 ( 2.034 2.410 0.000) 3.153 10.046 ( 2.539 -4.012 0.000) 4.748 10.056 ( -1.097 3.337 0.000) 3.512 10.127 ( -1.101 -3.898 0.000) 4.050 ======================= Grid point 32 (21/105) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -0.225 5.032 0.000) 5.037 2.028 ( 0.225 5.032 0.000) 5.037 2.078 ( -1.100 3.199 0.000) 3.383 2.078 ( 1.100 3.199 0.000) 3.383 2.138 ( -0.533 2.691 0.000) 2.743 2.138 ( 0.533 2.691 0.000) 2.743 2.283 ( -4.130 -7.854 0.000) 8.874 2.283 ( 4.130 -7.854 0.000) 8.874 2.543 ( -5.927 3.233 0.000) 6.752 2.543 ( 5.927 3.233 0.000) 6.752 2.602 ( -3.653 -2.547 0.000) 4.453 2.602 ( 3.653 -2.547 0.000) 4.453 3.000 ( -0.679 0.948 0.000) 1.166 3.000 ( 0.679 0.948 0.000) 1.166 3.016 ( -0.255 -0.746 0.000) 0.789 3.016 ( 0.255 -0.746 0.000) 0.789 3.373 ( -3.037 3.138 0.000) 4.367 3.373 ( 3.037 3.138 0.000) 4.367 3.456 ( -4.334 -5.082 0.000) 6.679 3.456 ( 4.334 -5.082 0.000) 6.679 4.262 ( -5.744 5.241 0.000) 7.775 4.262 ( 5.744 5.241 0.000) 7.775 4.292 ( -5.322 2.266 0.000) 5.785 4.292 ( 5.322 2.266 0.000) 5.785 6.688 ( -4.793 3.559 0.000) 5.970 6.688 ( 4.793 3.559 0.000) 5.970 6.761 ( -4.795 -3.808 0.000) 6.123 6.761 ( 4.795 -3.808 0.000) 6.123 7.126 ( -0.385 3.018 0.000) 3.042 7.126 ( 0.385 3.018 0.000) 3.042 7.184 ( -0.305 -2.784 0.000) 2.801 7.184 ( 0.305 -2.784 0.000) 2.801 7.865 ( -4.051 2.507 0.000) 4.764 7.865 ( 4.051 2.507 0.000) 4.764 7.884 ( -3.808 0.379 0.000) 3.826 7.884 ( 3.808 0.379 0.000) 3.826 8.407 ( -2.032 7.666 0.000) 7.930 8.407 ( 2.032 7.666 0.000) 7.930 8.529 ( -4.346 -4.191 0.000) 6.037 8.529 ( 4.346 -4.191 0.000) 6.037 9.196 ( -4.031 1.913 0.000) 4.462 9.196 ( 4.031 1.913 0.000) 4.462 9.249 ( -4.483 -3.140 0.000) 5.473 9.249 ( 4.483 -3.140 0.000) 5.473 10.025 ( -2.117 3.091 0.000) 3.746 10.025 ( 2.117 3.091 0.000) 3.746 10.095 ( -2.282 -3.984 0.000) 4.591 10.095 ( 2.282 -3.984 0.000) 4.591 ======================= Grid point 65 (22/105) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 0.000 0.000 18.479) 18.479 0.569 ( 0.000 0.000 27.043) 27.043 0.950 ( 0.000 0.000 46.064) 46.064 1.013 ( 0.000 0.000 3.868) 3.868 1.518 ( 0.000 0.000 -9.372) 9.372 1.846 ( 0.000 0.000 -3.981) 3.981 1.960 ( 0.000 0.000 0.164) 0.164 2.074 ( 0.000 0.000 -0.822) 0.822 2.276 ( 0.000 0.000 -7.094) 7.094 2.451 ( 0.000 0.000 -5.584) 5.584 2.485 ( 0.000 0.000 -3.567) 3.567 2.486 ( 0.000 0.000 -3.463) 3.463 2.569 ( 0.000 0.000 5.592) 5.592 2.695 ( 0.000 0.000 0.772) 0.772 2.828 ( 0.000 0.000 2.804) 2.804 2.851 ( 0.000 0.000 2.567) 2.567 3.011 ( 0.000 0.000 9.818) 9.818 3.121 ( 0.000 0.000 0.063) 0.063 3.159 ( 0.000 0.000 5.430) 5.430 3.352 ( 0.000 0.000 3.831) 3.831 3.768 ( 0.000 0.000 -12.122) 12.122 3.950 ( 0.000 0.000 -2.204) 2.204 4.221 ( 0.000 0.000 4.323) 4.323 4.494 ( 0.000 0.000 -5.381) 5.381 6.346 ( 0.000 0.000 3.958) 3.958 6.493 ( 0.000 0.000 2.698) 2.698 6.561 ( 0.000 0.000 2.687) 2.687 6.625 ( 0.000 0.000 -6.115) 6.115 6.976 ( 0.000 0.000 0.274) 0.274 7.025 ( 0.000 0.000 -3.917) 3.917 7.068 ( 0.000 0.000 -2.231) 2.231 7.172 ( 0.000 0.000 -1.053) 1.053 7.258 ( 0.000 0.000 1.925) 1.925 7.326 ( 0.000 0.000 -0.747) 0.747 7.503 ( 0.000 0.000 -4.504) 4.504 7.519 ( 0.000 0.000 -6.527) 6.527 7.553 ( 0.000 0.000 1.705) 1.705 7.556 ( 0.000 0.000 0.764) 0.764 7.704 ( 0.000 0.000 5.896) 5.896 7.864 ( 0.000 0.000 4.340) 4.340 7.885 ( 0.000 0.000 2.989) 2.989 8.737 ( 0.000 0.000 -10.002) 10.002 9.653 ( 0.000 0.000 -2.872) 2.872 9.676 ( 0.000 0.000 -0.729) 0.729 10.080 ( 0.000 0.000 7.512) 7.512 10.470 ( 0.000 0.000 -1.916) 1.916 10.525 ( 0.000 0.000 -1.690) 1.690 11.045 ( 0.000 0.000 -9.075) 9.075 ======================= Grid point 66 (23/105) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 11.405 0.000 13.040) 17.324 0.579 ( 10.633 0.000 16.888) 19.956 0.941 ( -7.312 0.000 4.760) 8.725 1.286 ( 0.482 0.000 11.341) 11.351 1.336 ( 9.613 0.000 15.821) 18.513 1.949 ( 7.378 0.000 -6.433) 9.788 1.981 ( 1.964 0.000 -0.026) 1.964 2.060 ( -1.386 0.000 -0.707) 1.556 2.226 ( -4.881 0.000 -6.894) 8.447 2.335 ( -16.934 0.000 11.208) 20.307 2.485 ( 0.020 0.000 -3.554) 3.554 2.486 ( -0.015 0.000 -3.480) 3.480 2.544 ( 4.341 0.000 -1.622) 4.634 2.752 ( -3.801 0.000 4.718) 6.058 2.831 ( 0.338 0.000 2.767) 2.787 2.847 ( -0.339 0.000 2.600) 2.622 2.983 ( 5.308 0.000 -3.358) 6.281 3.118 ( -0.774 0.000 -0.044) 0.775 3.179 ( 1.781 0.000 1.630) 2.414 3.371 ( -4.490 0.000 -1.784) 4.831 3.792 ( 7.478 0.000 -1.359) 7.600 4.042 ( 3.283 0.000 -3.409) 4.733 4.218 ( 1.954 0.000 2.120) 2.883 4.458 ( -4.189 0.000 -5.988) 7.308 6.371 ( 2.552 0.000 3.820) 4.594 6.519 ( -3.838 0.000 2.950) 4.841 6.525 ( 2.813 0.000 -0.852) 2.939 6.619 ( -0.877 0.000 -5.739) 5.805 7.007 ( -1.281 0.000 -2.784) 3.065 7.014 ( 3.505 0.000 0.008) 3.505 7.056 ( -2.843 0.000 -0.260) 2.854 7.149 ( -2.343 0.000 -0.900) 2.510 7.190 ( -1.254 0.000 4.706) 4.870 7.285 ( -3.823 0.000 1.603) 4.146 7.468 ( 1.961 0.000 1.892) 2.725 7.506 ( 0.296 0.000 -4.816) 4.825 7.518 ( -0.169 0.000 -6.203) 6.205 7.563 ( -1.478 0.000 -0.021) 1.478 7.867 ( 0.293 0.000 4.132) 4.142 7.882 ( -0.307 0.000 3.177) 3.192 8.029 ( 17.729 0.000 -5.080) 18.443 8.561 ( -13.271 0.000 -1.769) 13.389 9.656 ( 0.300 0.000 -2.349) 2.368 9.672 ( -0.355 0.000 -1.252) 1.301 10.092 ( 1.434 0.000 7.550) 7.685 10.227 ( -7.292 0.000 9.306) 11.822 10.862 ( 12.268 0.000 -17.691) 21.528 11.038 ( -0.914 0.000 -10.240) 10.280 ======================= Grid point 67 (24/105) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -11.845 0.000 7.557) 14.050 0.753 ( 11.845 0.000 7.557) 14.050 0.921 ( -21.216 0.000 -1.320) 21.257 0.921 ( 21.216 0.000 -1.320) 21.257 1.856 ( -26.367 0.000 21.036) 33.730 1.856 ( 26.367 0.000 21.036) 33.730 2.024 ( -2.287 0.000 -0.400) 2.322 2.024 ( 2.287 0.000 -0.400) 2.322 2.116 ( -5.720 0.000 -4.746) 7.433 2.116 ( 5.720 0.000 -4.746) 7.433 2.485 ( -0.028 0.000 -3.519) 3.519 2.485 ( 0.028 0.000 -3.519) 3.519 2.653 ( -5.854 0.000 1.314) 5.999 2.653 ( 5.854 0.000 1.314) 5.999 2.839 ( -0.479 0.000 2.681) 2.724 2.839 ( 0.479 0.000 2.681) 2.724 3.082 ( -3.458 0.000 -3.147) 4.676 3.082 ( 3.458 0.000 -3.147) 4.676 3.246 ( -5.813 0.000 -1.692) 6.054 3.246 ( 5.813 0.000 -1.692) 6.054 3.971 ( -8.554 0.000 1.737) 8.729 3.971 ( 8.554 0.000 1.737) 8.729 4.338 ( -7.860 0.000 -4.596) 9.106 4.338 ( 7.860 0.000 -4.596) 9.106 6.437 ( -4.231 0.000 3.438) 5.451 6.437 ( 4.231 0.000 3.438) 5.451 6.583 ( -2.833 0.000 -4.160) 5.033 6.583 ( 2.833 0.000 -4.160) 5.033 7.003 ( -1.417 0.000 -0.041) 1.417 7.003 ( 1.417 0.000 -0.041) 1.417 7.088 ( -3.838 0.000 -0.495) 3.869 7.088 ( 3.838 0.000 -0.495) 3.869 7.220 ( -2.942 0.000 2.049) 3.585 7.220 ( 2.942 0.000 2.049) 3.585 7.513 ( -0.357 0.000 -5.503) 5.514 7.513 ( 0.357 0.000 -5.503) 5.514 7.521 ( -2.769 0.000 0.241) 2.780 7.521 ( 2.769 0.000 0.241) 2.780 7.875 ( -0.430 0.000 3.644) 3.669 7.875 ( 0.430 0.000 3.644) 3.669 8.313 ( -13.065 0.000 -2.433) 13.290 8.313 ( 13.065 0.000 -2.433) 13.290 9.663 ( -0.465 0.000 -1.824) 1.882 9.663 ( 0.465 0.000 -1.824) 1.882 10.136 ( -3.211 0.000 8.115) 8.727 10.136 ( 3.211 0.000 8.115) 8.727 10.998 ( -3.704 0.000 -13.676) 14.168 10.998 ( 3.704 0.000 -13.676) 14.168 ======================= Grid point 70 (25/105) ======================= q-point: ( 0.00 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.000 9.887 20.067) 22.371 0.746 ( 0.000 16.363 18.492) 24.692 1.222 ( 0.000 29.179 27.690) 40.226 1.328 ( 0.000 25.812 3.427) 26.039 1.564 ( 0.000 5.082 -8.242) 9.683 1.817 ( 0.000 -1.537 -2.788) 3.184 1.952 ( 0.000 -0.566 1.231) 1.355 2.192 ( 0.000 8.676 -2.859) 9.135 2.281 ( 0.000 1.897 -5.786) 6.089 2.473 ( 0.000 0.927 -3.334) 3.461 2.511 ( 0.000 0.239 -1.965) 1.979 2.517 ( 0.000 2.926 -3.199) 4.336 2.567 ( 0.000 2.655 1.298) 2.956 2.682 ( 0.000 -0.866 1.733) 1.937 2.867 ( 0.000 3.452 1.957) 3.969 2.896 ( 0.000 3.808 3.707) 5.314 3.019 ( 0.000 1.232 8.939) 9.024 3.107 ( 0.000 -1.399 0.005) 1.399 3.212 ( 0.000 7.058 4.625) 8.438 3.345 ( 0.000 -0.336 4.110) 4.123 3.740 ( 0.000 -2.288 -10.970) 11.206 3.920 ( 0.000 -2.733 -1.747) 3.243 4.186 ( 0.000 -3.476 4.696) 5.842 4.459 ( 0.000 -3.549 -5.326) 6.400 6.436 ( 0.000 1.246 -3.078) 3.321 6.492 ( 0.000 0.159 2.224) 2.229 6.733 ( 0.000 4.107 -0.803) 4.185 6.776 ( 0.000 19.758 1.573) 19.820 6.953 ( 0.000 -0.224 -2.053) 2.065 7.008 ( 0.000 -1.454 -4.435) 4.667 7.087 ( 0.000 1.497 -0.404) 1.550 7.228 ( 0.000 4.101 0.282) 4.111 7.321 ( 0.000 -0.385 -0.552) 0.673 7.354 ( 0.000 4.039 -3.033) 5.051 7.525 ( 0.000 -0.471 -1.859) 1.917 7.536 ( 0.000 3.190 -3.036) 4.403 7.586 ( 0.000 4.022 -2.376) 4.672 7.729 ( 0.000 2.558 4.665) 5.320 7.844 ( 0.000 15.693 -10.158) 18.694 7.960 ( 0.000 9.896 3.455) 10.482 7.991 ( 0.000 15.292 -5.627) 16.294 8.741 ( 0.000 0.819 -7.900) 7.942 9.627 ( 0.000 -2.536 -2.847) 3.812 9.642 ( 0.000 -3.158 -0.868) 3.275 10.062 ( 0.000 -1.616 6.806) 6.995 10.279 ( 0.000 -11.193 8.048) 13.786 10.501 ( 0.000 -2.383 -1.665) 2.907 10.955 ( 0.000 -8.461 -7.988) 11.635 ======================= Grid point 71 (26/105) ======================= q-point: ( 0.25 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 8.797 10.175 12.881) 18.623 0.897 ( 9.485 21.650 10.377) 25.814 1.250 ( -6.149 25.254 4.594) 26.395 1.317 ( -11.585 3.748 1.238) 12.239 1.486 ( 13.784 17.916 18.855) 29.436 1.923 ( 7.098 -0.423 -4.418) 8.372 1.958 ( -0.117 -1.045 2.426) 2.644 2.181 ( -1.916 6.899 -3.482) 7.962 2.246 ( -2.798 4.756 -4.305) 6.999 2.413 ( -11.303 6.141 5.914) 14.159 2.504 ( 0.450 0.049 -1.216) 1.297 2.508 ( -0.232 1.483 -3.023) 3.375 2.542 ( 3.128 1.839 -1.777) 4.040 2.716 ( -2.722 -1.914 4.739) 5.791 2.862 ( -0.290 2.833 2.686) 3.914 2.879 ( 0.614 3.041 1.257) 3.348 3.030 ( 2.832 4.255 -0.322) 5.122 3.110 ( -0.237 -0.332 0.418) 0.584 3.168 ( 0.082 0.092 2.641) 2.644 3.371 ( -4.183 1.228 -1.280) 4.544 3.769 ( 7.130 -2.269 -1.207) 7.579 4.005 ( 2.993 -3.461 -3.048) 5.498 4.185 ( 2.060 -3.123 2.539) 4.522 4.416 ( -4.398 -3.752 -5.156) 7.746 6.438 ( 0.626 1.449 -0.832) 1.785 6.492 ( -0.537 -0.902 0.997) 1.448 6.727 ( 0.086 10.196 -1.017) 10.247 6.775 ( -0.289 14.878 -1.341) 14.941 6.969 ( 0.845 -0.045 -2.332) 2.481 7.010 ( 0.339 -0.028 -3.387) 3.404 7.095 ( 0.788 1.634 0.769) 1.970 7.203 ( -3.086 5.591 0.549) 6.409 7.277 ( -2.045 2.832 -0.758) 3.575 7.347 ( -4.042 5.930 -0.605) 7.202 7.488 ( -0.614 1.800 1.424) 2.376 7.545 ( 0.417 2.869 -2.945) 4.132 7.571 ( -2.197 6.437 -2.841) 7.371 7.586 ( -2.539 3.622 -0.782) 4.492 7.912 ( 1.392 4.523 1.286) 4.904 7.941 ( -0.680 6.384 2.389) 6.850 8.174 ( 12.453 13.067 -7.938) 19.719 8.606 ( -10.950 4.170 -3.243) 12.157 9.628 ( 0.219 -2.676 -2.351) 3.569 9.641 ( -0.182 -2.946 -1.467) 3.296 10.074 ( 1.306 -1.697 6.809) 7.138 10.181 ( -4.795 -4.038 8.386) 10.470 10.712 ( 12.525 -10.584 -9.033) 18.721 10.941 ( -1.620 -8.911 -8.676) 12.542 ======================= Grid point 72 (27/105) ======================= q-point: (-0.50 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -15.669 7.513 1.249) 17.422 0.958 ( 15.669 7.513 1.249) 17.422 1.106 ( -6.935 22.732 4.782) 24.242 1.106 ( 6.935 22.732 4.782) 24.242 1.841 ( -15.301 3.063 14.441) 21.262 1.841 ( 15.301 3.063 14.441) 21.262 2.063 ( -8.064 1.741 -2.486) 8.616 2.063 ( 8.064 1.741 -2.486) 8.616 2.241 ( -3.494 11.136 0.664) 11.690 2.241 ( 3.494 11.136 0.664) 11.690 2.506 ( -0.010 1.469 -2.608) 2.993 2.506 ( 0.010 1.469 -2.608) 2.993 2.629 ( -5.029 -1.199 2.508) 5.746 2.629 ( 5.029 -1.199 2.508) 5.746 2.876 ( -0.865 3.032 1.206) 3.376 2.876 ( 0.865 3.032 1.206) 3.376 3.088 ( -2.041 0.707 -1.757) 2.784 3.088 ( 2.041 0.707 -1.757) 2.784 3.241 ( -6.896 0.612 -1.115) 7.013 3.241 ( 6.896 0.612 -1.115) 7.013 3.938 ( -8.067 -3.113 1.656) 8.804 3.938 ( 8.067 -3.113 1.656) 8.804 4.299 ( -7.437 -3.519 -3.767) 9.049 4.299 ( 7.437 -3.519 -3.767) 9.049 6.465 ( -1.896 0.148 0.622) 2.001 6.465 ( 1.896 0.148 0.622) 2.001 6.752 ( -2.006 12.800 -2.886) 13.274 6.752 ( 2.006 12.800 -2.886) 13.274 6.994 ( -1.870 1.322 -1.987) 3.032 6.994 ( 1.870 1.322 -1.987) 3.032 7.130 ( -3.168 4.263 1.333) 5.476 7.130 ( 3.168 4.263 1.333) 5.476 7.278 ( -2.012 4.565 1.232) 5.138 7.278 ( 2.012 4.565 1.232) 5.138 7.520 ( -2.400 1.057 -0.394) 2.652 7.520 ( 2.400 1.057 -0.394) 2.652 7.563 ( -0.848 4.257 -3.248) 5.422 7.563 ( 0.848 4.257 -3.248) 5.422 7.929 ( -0.654 5.232 2.251) 5.733 7.929 ( 0.654 5.232 2.251) 5.733 8.395 ( -10.993 7.805 -3.914) 14.038 8.395 ( 10.993 7.805 -3.914) 14.038 9.635 ( -0.402 -2.789 -1.938) 3.420 9.635 ( 0.402 -2.789 -1.938) 3.420 10.113 ( -2.692 -2.220 7.251) 8.046 10.113 ( 2.692 -2.220 7.251) 8.046 10.879 ( -5.389 -10.249 -10.236) 15.456 10.879 ( 5.389 -10.249 -10.236) 15.456 ======================= Grid point 75 (28/105) ======================= q-point: ( 0.00 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.000 16.293 10.316) 19.285 1.022 ( 0.000 14.180 17.398) 22.444 1.640 ( 0.000 8.013 -4.805) 9.343 1.780 ( 0.000 5.934 -1.639) 6.157 1.866 ( 0.000 16.392 2.033) 16.517 1.910 ( 0.000 14.180 2.484) 14.396 2.002 ( 0.000 20.464 9.551) 22.583 2.269 ( 0.000 2.272 -5.723) 6.158 2.436 ( 0.000 9.033 -0.686) 9.059 2.461 ( 0.000 -1.463 -0.637) 1.595 2.505 ( 0.000 0.090 0.406) 0.416 2.584 ( 0.000 3.527 -3.436) 4.924 2.666 ( 0.000 5.546 -3.187) 6.397 2.683 ( 0.000 1.813 3.870) 4.274 2.938 ( 0.000 3.071 0.826) 3.180 2.982 ( 0.000 4.184 3.837) 5.677 3.072 ( 0.000 -1.952 -0.059) 1.953 3.094 ( 0.000 7.158 4.609) 8.514 3.354 ( 0.000 1.410 4.645) 4.854 3.427 ( 0.000 13.769 2.136) 13.933 3.682 ( 0.000 -3.444 -9.692) 10.285 3.860 ( 0.000 -2.551 -0.762) 2.663 4.087 ( 0.000 -6.262 5.134) 8.098 4.355 ( 0.000 -6.802 -4.998) 8.440 6.441 ( 0.000 0.276 -0.702) 0.754 6.510 ( 0.000 1.828 1.354) 2.275 6.780 ( 0.000 2.182 1.107) 2.446 6.946 ( 0.000 -0.688 -2.975) 3.054 6.967 ( 0.000 -2.634 -4.873) 5.539 7.106 ( 0.000 0.256 2.580) 2.593 7.223 ( 0.000 16.881 -0.894) 16.905 7.302 ( 0.000 6.861 -1.421) 7.006 7.328 ( 0.000 2.329 2.464) 3.390 7.436 ( 0.000 4.590 -2.278) 5.125 7.507 ( 0.000 -0.472 -0.237) 0.528 7.615 ( 0.000 4.533 -1.278) 4.710 7.698 ( 0.000 6.530 0.394) 6.542 7.808 ( 0.000 5.548 2.757) 6.195 8.006 ( 0.000 5.306 -1.169) 5.433 8.255 ( 0.000 18.854 1.240) 18.895 8.387 ( 0.000 18.563 -14.690) 23.672 8.785 ( 0.000 3.902 -4.655) 6.074 9.558 ( 0.000 -4.240 -2.702) 5.028 9.561 ( 0.000 -4.661 -1.558) 4.915 10.024 ( 0.000 -2.020 5.115) 5.499 10.118 ( 0.000 -5.716 6.341) 8.537 10.433 ( 0.000 -4.282 -1.628) 4.581 10.744 ( 0.000 -11.790 -5.572) 13.041 ======================= Grid point 76 (29/105) ======================= q-point: ( 0.25 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 5.718 16.430 7.014) 18.757 1.184 ( 12.650 10.954 14.448) 22.108 1.437 ( -14.695 7.891 -3.132) 16.971 1.690 ( -11.588 13.245 5.974) 18.585 1.925 ( 6.742 1.567 -3.605) 7.805 1.974 ( 4.779 18.326 2.459) 19.098 2.077 ( 4.755 20.069 6.074) 21.500 2.261 ( -1.174 5.574 -3.587) 6.732 2.436 ( 0.059 8.958 -0.801) 8.994 2.473 ( 0.402 -0.602 0.819) 1.093 2.505 ( 0.170 0.807 -0.214) 0.852 2.558 ( -3.136 4.777 -3.596) 6.752 2.615 ( -0.393 4.337 1.665) 4.662 2.712 ( -1.177 1.695 2.556) 3.285 2.936 ( -0.234 3.074 0.852) 3.198 2.954 ( -1.395 4.448 2.042) 5.089 3.069 ( 0.988 -0.162 0.597) 1.166 3.173 ( 5.939 5.588 1.865) 8.365 3.215 ( -6.998 6.006 2.529) 9.563 3.457 ( -5.182 7.689 -2.048) 9.495 3.710 ( 6.918 -3.109 -0.546) 7.604 3.920 ( 1.542 -4.621 -1.883) 5.223 4.100 ( 2.967 -5.208 2.790) 6.612 4.314 ( -4.094 -6.432 -4.523) 8.865 6.449 ( 0.744 0.469 -0.380) 0.958 6.495 ( -1.335 1.341 1.181) 2.231 6.812 ( 2.904 2.312 -0.021) 3.712 6.921 ( -2.077 -0.346 -3.366) 3.970 6.986 ( 1.556 -1.305 -3.163) 3.759 7.078 ( -2.518 1.139 1.247) 3.032 7.243 ( 1.675 10.658 0.090) 10.789 7.310 ( -1.244 5.277 2.228) 5.862 7.324 ( 1.994 6.348 -1.652) 6.855 7.436 ( -1.358 3.306 -3.036) 4.689 7.520 ( 2.341 3.585 0.353) 4.296 7.619 ( 0.040 4.608 -1.116) 4.742 7.692 ( -0.501 6.902 0.420) 6.933 7.759 ( -4.389 9.495 1.956) 10.641 8.023 ( 1.711 5.751 -0.559) 6.026 8.160 ( -6.025 15.482 -1.312) 16.665 8.479 ( 6.330 16.214 -8.584) 19.407 8.719 ( -5.800 7.217 -3.759) 9.992 9.555 ( 0.028 -4.427 -2.289) 4.984 9.563 ( -0.047 -4.615 -1.996) 5.028 10.033 ( 0.930 -2.235 5.126) 5.669 10.094 ( -1.888 -4.214 5.927) 7.514 10.527 ( 7.611 -8.058 -3.797) 11.717 10.726 ( -2.040 -11.738 -5.731) 13.221 ======================= Grid point 77 (30/105) ======================= q-point: (-0.50 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -13.829 12.105 0.388) 18.382 1.154 ( 13.829 12.105 0.388) 18.382 1.443 ( -13.753 10.069 10.338) 19.936 1.443 ( 13.753 10.069 10.338) 19.936 2.010 ( -2.053 6.884 -2.222) 7.519 2.010 ( 2.053 6.884 -2.222) 7.519 2.191 ( -6.439 15.872 2.511) 17.312 2.191 ( 6.439 15.872 2.511) 17.312 2.448 ( -1.554 7.235 0.466) 7.414 2.448 ( 1.554 7.235 0.466) 7.414 2.521 ( -1.050 1.407 -0.979) 2.010 2.521 ( 1.050 1.407 -0.979) 2.010 2.650 ( -3.646 3.205 2.607) 5.510 2.650 ( 3.646 3.205 2.607) 5.510 2.939 ( -0.550 2.991 0.349) 3.061 2.939 ( 0.550 2.991 0.349) 3.061 3.112 ( -3.596 1.819 1.100) 4.177 3.112 ( 3.596 1.819 1.100) 4.177 3.314 ( -8.079 7.124 -1.198) 10.838 3.314 ( 8.079 7.124 -1.198) 10.838 3.858 ( -6.744 -4.442 1.407) 8.196 3.858 ( 6.744 -4.442 1.407) 8.196 4.208 ( -6.623 -5.459 -2.691) 8.994 4.208 ( 6.623 -5.459 -2.691) 8.994 6.469 ( -1.292 0.788 0.433) 1.574 6.469 ( 1.292 0.788 0.433) 1.574 6.872 ( -3.035 1.485 -2.116) 3.987 6.872 ( 3.035 1.485 -2.116) 3.987 7.026 ( -2.632 0.176 -0.919) 2.793 7.026 ( 2.632 0.176 -0.919) 2.793 7.277 ( -1.842 5.353 1.552) 5.870 7.277 ( 1.842 5.353 1.552) 5.870 7.382 ( -3.535 6.115 -2.652) 7.544 7.382 ( 3.535 6.115 -2.652) 7.544 7.588 ( -3.643 6.503 -0.405) 7.465 7.588 ( 3.643 6.503 -0.405) 7.465 7.694 ( -1.407 9.221 1.096) 9.392 7.694 ( 1.407 9.221 1.096) 9.392 8.071 ( -3.390 8.892 -0.314) 9.522 8.071 ( 3.390 8.892 -0.314) 9.522 8.600 ( -6.325 12.172 -4.882) 14.560 8.600 ( 6.325 12.172 -4.882) 14.560 9.559 ( -0.295 -4.575 -2.156) 5.066 9.559 ( 0.295 -4.575 -2.156) 5.066 10.059 ( -1.693 -2.929 5.372) 6.349 10.059 ( 1.693 -2.929 5.372) 6.349 10.657 ( -5.332 -11.077 -5.652) 13.531 10.657 ( 5.332 -11.077 -5.652) 13.531 ======================= Grid point 80 (31/105) ======================= q-point: ( 0.00 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.000 17.566 4.163) 18.052 1.324 ( 0.000 15.590 8.931) 17.967 1.783 ( 0.000 6.765 -4.325) 8.030 1.831 ( 0.000 2.738 -3.529) 4.466 1.997 ( 0.000 4.378 3.516) 5.614 2.116 ( 0.000 6.234 3.383) 7.092 2.309 ( 0.000 0.286 -2.075) 2.095 2.387 ( 0.000 1.083 -0.772) 1.330 2.462 ( 0.000 0.963 2.490) 2.670 2.554 ( 0.000 3.080 1.223) 3.314 2.634 ( 0.000 16.276 -1.152) 16.317 2.654 ( 0.000 2.832 -1.279) 3.107 2.772 ( 0.000 6.257 -0.957) 6.330 2.786 ( 0.000 8.059 2.839) 8.544 2.986 ( 0.000 1.816 -1.292) 2.229 3.030 ( 0.000 0.396 1.080) 1.150 3.071 ( 0.000 3.691 3.694) 5.222 3.296 ( 0.000 11.464 -0.802) 11.492 3.394 ( 0.000 2.491 2.977) 3.881 3.607 ( 0.000 -2.860 -6.395) 7.006 3.733 ( 0.000 15.366 0.255) 15.368 3.863 ( 0.000 4.148 1.299) 4.347 3.946 ( 0.000 -7.327 4.949) 8.842 4.197 ( 0.000 -8.589 -3.929) 9.445 6.458 ( 0.000 1.420 0.927) 1.696 6.564 ( 0.000 3.438 0.417) 3.463 6.836 ( 0.000 3.381 -0.803) 3.475 6.900 ( 0.000 -3.948 -4.627) 6.083 6.932 ( 0.000 -0.626 -3.425) 3.482 7.104 ( 0.000 -0.283 3.807) 3.818 7.268 ( 0.000 -0.706 -1.362) 1.534 7.356 ( 0.000 0.084 2.967) 2.968 7.474 ( 0.000 2.383 -3.261) 4.039 7.539 ( 0.000 5.709 -2.542) 6.250 7.687 ( 0.000 13.356 0.139) 13.356 7.709 ( 0.000 4.879 1.082) 4.997 7.842 ( 0.000 8.303 -0.211) 8.306 7.967 ( 0.000 11.105 4.330) 11.920 8.084 ( 0.000 2.817 -1.314) 3.108 8.652 ( 0.000 19.590 0.031) 19.590 8.672 ( 0.000 9.113 -9.918) 13.468 8.909 ( 0.000 8.508 -2.002) 8.740 9.465 ( 0.000 -4.992 -2.225) 5.466 9.467 ( 0.000 -4.460 -2.006) 4.890 9.987 ( 0.000 -1.685 3.460) 3.848 10.032 ( 0.000 -2.993 3.977) 4.977 10.335 ( 0.000 -5.480 -1.591) 5.706 10.517 ( 0.000 -10.395 -3.167) 10.866 ======================= Grid point 81 (32/105) ======================= q-point: ( 0.25 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 3.246 17.064 2.982) 17.624 1.413 ( 7.579 12.179 8.999) 16.934 1.609 ( -10.233 8.945 -2.453) 13.811 1.835 ( -11.178 4.927 7.188) 14.174 1.977 ( 6.869 3.557 -4.182) 8.793 2.149 ( -0.677 4.584 -2.562) 5.295 2.358 ( 4.344 1.492 0.570) 4.629 2.402 ( 1.307 1.421 -0.711) 2.057 2.469 ( 1.046 0.262 1.168) 1.590 2.555 ( -0.149 3.352 0.775) 3.444 2.632 ( -0.206 7.916 -2.095) 8.191 2.667 ( 0.253 6.829 -3.535) 7.694 2.745 ( -1.160 10.893 2.269) 11.187 2.789 ( -0.524 6.774 2.622) 7.283 2.976 ( -0.186 1.777 -0.420) 1.836 3.018 ( -1.229 1.790 1.382) 2.574 3.099 ( 2.900 4.358 2.912) 5.990 3.278 ( -3.777 5.548 0.383) 6.723 3.402 ( 3.006 10.005 1.689) 10.583 3.586 ( -3.347 1.391 -2.866) 4.620 3.741 ( 1.997 9.664 -0.200) 9.870 3.846 ( -1.806 -1.825 0.719) 2.667 3.999 ( 4.630 -3.674 2.509) 6.421 4.169 ( -2.857 -7.658 -3.118) 8.748 6.470 ( 1.161 1.666 0.780) 2.175 6.541 ( -2.029 3.081 0.416) 3.712 6.857 ( 1.581 1.984 -2.092) 3.288 6.895 ( -0.499 -2.154 -4.329) 4.861 6.957 ( 2.548 -0.905 -2.028) 3.380 7.079 ( -2.435 -0.236 2.630) 3.592 7.281 ( 1.282 -0.571 -0.159) 1.412 7.344 ( -1.290 -0.178 2.675) 2.975 7.476 ( 0.255 3.390 -3.141) 4.629 7.518 ( -1.746 6.266 -2.325) 6.908 7.702 ( 1.163 8.268 0.047) 8.349 7.721 ( 0.762 6.378 0.763) 6.469 7.857 ( 1.635 9.342 -0.000) 9.484 7.945 ( -1.965 9.675 2.744) 10.247 8.137 ( 5.276 6.497 -0.418) 8.380 8.479 ( -10.710 14.117 -2.997) 17.972 8.781 ( 4.655 13.602 -4.996) 15.220 8.893 ( -1.593 9.895 -2.460) 10.320 9.462 ( -0.123 -4.708 -2.171) 5.186 9.466 ( -0.163 -4.912 -2.040) 5.321 9.992 ( 0.496 -1.829 3.486) 3.968 10.023 ( -0.814 -2.689 3.843) 4.761 10.379 ( 3.951 -6.945 -2.210) 8.290 10.504 ( -1.538 -10.131 -3.185) 10.731 ======================= Grid point 82 (33/105) ======================= q-point: (-0.50 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -8.011 12.863 0.591) 15.165 1.409 ( 8.011 12.863 0.591) 15.165 1.614 ( -10.956 8.659 8.485) 16.340 1.614 ( 10.956 8.659 8.485) 16.340 2.091 ( -4.809 3.138 -4.170) 7.096 2.091 ( 4.809 3.138 -4.170) 7.096 2.411 ( -0.998 1.104 1.347) 2.007 2.411 ( 0.998 1.104 1.347) 2.007 2.525 ( -3.558 2.966 -1.138) 4.770 2.525 ( 3.558 2.966 -1.138) 4.770 2.639 ( -1.431 5.280 -4.227) 6.913 2.639 ( 1.431 5.280 -4.227) 6.913 2.764 ( -1.939 9.875 3.975) 10.821 2.764 ( 1.939 9.875 3.975) 10.821 2.991 ( -1.399 2.370 0.724) 2.846 2.991 ( 1.399 2.370 0.724) 2.846 3.179 ( -5.308 5.501 2.050) 7.914 3.179 ( 5.308 5.501 2.050) 7.914 3.493 ( -5.557 8.701 0.262) 10.328 3.493 ( 5.557 8.701 0.262) 10.328 3.797 ( -3.120 0.023 -0.186) 3.126 3.797 ( 3.120 0.023 -0.186) 3.126 4.094 ( -4.794 -5.271 -0.833) 7.173 4.094 ( 4.794 -5.271 -0.833) 7.173 6.500 ( -1.966 2.320 0.522) 3.086 6.500 ( 1.966 2.320 0.522) 3.086 6.881 ( -0.947 -0.353 -3.758) 3.892 6.881 ( 0.947 -0.353 -3.758) 3.892 7.019 ( -3.569 -0.203 0.546) 3.616 7.019 ( 3.569 -0.203 0.546) 3.616 7.312 ( -1.812 -0.421 1.614) 2.463 7.312 ( 1.812 -0.421 1.614) 2.463 7.488 ( -1.127 5.247 -2.640) 5.980 7.488 ( 1.127 5.247 -2.640) 5.980 7.722 ( -0.684 5.963 0.311) 6.011 7.722 ( 0.684 5.963 0.311) 6.011 7.900 ( -2.599 9.577 0.949) 9.969 7.900 ( 2.599 9.577 0.949) 9.969 8.280 ( -9.452 11.471 -0.957) 14.894 8.280 ( 9.452 11.471 -0.957) 14.894 8.850 ( -2.869 12.200 -3.626) 13.047 8.850 ( 2.869 12.200 -3.626) 13.047 9.462 ( -0.134 -4.898 -2.104) 5.333 9.462 ( 0.134 -4.898 -2.104) 5.333 10.006 ( -0.909 -2.198 3.623) 4.333 10.006 ( 0.909 -2.198 3.623) 4.333 10.456 ( -3.497 -9.065 -2.989) 10.165 10.456 ( 3.497 -9.065 -2.989) 10.165 ======================= Grid point 85 (34/105) ======================= q-point: ( 0.00 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.000 15.814 0.577) 15.824 1.619 ( 0.000 13.616 3.085) 13.961 1.895 ( 0.000 3.504 -3.655) 5.063 1.916 ( 0.000 6.749 -2.620) 7.240 2.090 ( 0.000 4.215 4.405) 6.097 2.179 ( 0.000 0.777 5.701) 5.753 2.283 ( 0.000 -1.831 -1.355) 2.278 2.354 ( 0.000 -2.637 -2.168) 3.414 2.468 ( 0.000 0.246 0.636) 0.682 2.588 ( 0.000 0.891 1.241) 1.527 2.680 ( 0.000 -0.250 0.734) 0.775 2.744 ( 0.000 -0.919 -7.512) 7.568 2.903 ( 0.000 3.122 1.396) 3.420 2.926 ( 0.000 5.094 1.241) 5.243 3.008 ( 0.000 0.290 -2.172) 2.192 3.049 ( 0.000 0.676 1.971) 2.083 3.229 ( 0.000 8.439 1.478) 8.568 3.355 ( 0.000 -2.124 1.102) 2.393 3.578 ( 0.000 10.907 -4.887) 11.951 3.589 ( 0.000 1.292 1.513) 1.989 3.811 ( 0.000 -2.407 0.389) 2.438 3.992 ( 0.000 1.608 -1.670) 2.319 4.046 ( 0.000 13.956 1.391) 14.025 4.081 ( 0.000 4.266 2.773) 5.089 6.494 ( 0.000 2.069 1.378) 2.486 6.641 ( 0.000 4.209 -0.470) 4.235 6.814 ( 0.000 -4.568 -3.619) 5.828 6.893 ( 0.000 0.953 -4.255) 4.361 6.940 ( 0.000 2.601 -1.779) 3.151 7.099 ( 0.000 -0.140 4.001) 4.004 7.248 ( 0.000 -1.316 -1.264) 1.824 7.318 ( 0.000 -3.139 2.104) 3.779 7.559 ( 0.000 5.496 -3.500) 6.516 7.652 ( 0.000 5.132 -4.027) 6.523 7.812 ( 0.000 5.436 2.930) 6.175 7.850 ( 0.000 4.922 1.339) 5.100 8.024 ( 0.000 9.537 -3.306) 10.094 8.136 ( 0.000 2.919 -2.309) 3.721 8.212 ( 0.000 11.413 5.034) 12.474 8.764 ( 0.000 0.999 -3.476) 3.617 8.992 ( 0.000 13.844 -1.054) 13.885 9.069 ( 0.000 6.014 -2.216) 6.409 9.364 ( 0.000 -4.841 -0.840) 4.913 9.395 ( 0.000 -2.545 -1.699) 3.060 9.958 ( 0.000 -1.113 1.863) 2.170 10.002 ( 0.000 -0.048 2.804) 2.804 10.220 ( 0.000 -5.907 -1.375) 6.065 10.340 ( 0.000 -7.397 -1.523) 7.552 ======================= Grid point 86 (35/105) ======================= q-point: ( 0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.858 14.944 0.677) 14.984 1.654 ( 2.858 11.580 3.046) 12.310 1.785 ( -5.110 8.706 -0.712) 10.120 1.933 ( -7.205 5.030 4.639) 9.936 2.046 ( 4.425 2.818 -2.560) 5.837 2.214 ( -2.529 1.789 -2.510) 3.987 2.336 ( 5.845 -1.496 2.892) 6.691 2.391 ( 3.540 -1.853 -2.524) 4.726 2.461 ( -0.124 -0.469 1.009) 1.119 2.587 ( -0.470 0.471 1.082) 1.270 2.670 ( -0.846 -0.357 -0.445) 1.020 2.716 ( -2.752 -1.209 -5.450) 6.224 2.907 ( 0.425 3.506 1.343) 3.778 2.924 ( -0.259 4.936 1.257) 5.100 3.014 ( 0.632 0.877 -1.231) 1.638 3.044 ( -0.562 0.791 1.510) 1.794 3.248 ( 1.950 6.851 0.656) 7.153 3.344 ( -1.521 -0.045 0.825) 1.731 3.557 ( 0.137 6.889 -2.531) 7.340 3.612 ( 0.167 -0.730 1.381) 1.571 3.830 ( 2.133 3.968 -2.273) 5.046 3.981 ( -3.575 5.847 -1.067) 6.936 4.026 ( 1.348 7.116 2.010) 7.516 4.089 ( -0.242 5.406 2.795) 6.091 6.511 ( 1.706 2.355 1.068) 3.098 6.611 ( -2.712 3.864 -0.242) 4.727 6.825 ( 1.176 -3.809 -3.811) 5.516 6.884 ( -1.020 -0.325 -4.435) 4.562 6.973 ( 2.946 2.555 -0.905) 4.004 7.078 ( -1.956 0.241 2.840) 3.457 7.259 ( 1.083 -1.549 -0.426) 1.937 7.309 ( -0.981 -2.762 1.748) 3.413 7.571 ( 1.264 5.762 -3.410) 6.814 7.640 ( -1.313 5.914 -3.840) 7.172 7.809 ( 0.066 4.553 2.743) 5.316 7.841 ( -0.855 4.452 1.244) 4.701 8.036 ( 1.239 8.921 -2.511) 9.350 8.103 ( -2.053 6.210 -0.382) 6.551 8.304 ( 7.772 8.928 2.166) 12.033 8.667 ( -8.641 4.740 -1.802) 10.019 9.022 ( 2.070 10.276 -2.017) 10.675 9.066 ( -0.332 6.344 -2.284) 6.750 9.366 ( 0.190 -4.680 -1.064) 4.803 9.388 ( -0.683 -2.769 -1.550) 3.246 9.962 ( 0.545 -0.950 1.996) 2.276 9.995 ( -0.736 -0.157 2.635) 2.741 10.248 ( 2.479 -6.247 -1.452) 6.876 10.330 ( -1.097 -7.294 -1.556) 7.538 ======================= Grid point 87 (36/105) ======================= q-point: (-0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -2.701 11.656 0.663) 11.983 1.654 ( 2.701 11.656 0.663) 11.983 1.795 ( -5.938 9.058 4.411) 11.695 1.795 ( 5.938 9.058 4.411) 11.695 2.140 ( -4.699 1.400 -3.331) 5.927 2.140 ( 4.699 1.400 -3.331) 5.927 2.405 ( -2.083 -0.181 -0.060) 2.092 2.405 ( 2.083 -0.181 -0.060) 2.092 2.535 ( -5.521 -1.344 -0.615) 5.715 2.535 ( 5.521 -1.344 -0.615) 5.715 2.669 ( -1.271 -0.643 -1.407) 2.002 2.669 ( 1.271 -0.643 -1.407) 2.002 2.916 ( -0.465 4.357 1.289) 4.568 2.916 ( 0.465 4.357 1.289) 4.568 3.029 ( -0.896 1.074 0.316) 1.434 3.029 ( 0.896 1.074 0.316) 1.434 3.297 ( -2.907 3.731 0.038) 4.730 3.297 ( 2.907 3.731 0.038) 4.730 3.587 ( -2.292 1.026 0.095) 2.512 3.587 ( 2.292 1.026 0.095) 2.512 3.896 ( -4.489 8.076 -2.171) 9.492 3.896 ( 4.489 8.076 -2.171) 9.492 4.066 ( -2.047 4.505 2.796) 5.684 4.066 ( 2.047 4.505 2.796) 5.684 6.555 ( -2.817 3.077 0.368) 4.188 6.555 ( 2.817 3.077 0.368) 4.188 6.855 ( -1.796 -2.172 -4.156) 5.022 6.855 ( 1.796 -2.172 -4.156) 5.022 7.031 ( -2.895 1.414 0.733) 3.305 7.031 ( 2.895 1.414 0.733) 3.305 7.284 ( -1.428 -2.085 0.849) 2.666 7.284 ( 1.428 -2.085 0.849) 2.666 7.605 ( -2.102 6.279 -3.407) 7.447 7.605 ( 2.102 6.279 -3.407) 7.447 7.821 ( -1.066 3.934 1.780) 4.448 7.821 ( 1.066 3.934 1.780) 4.448 8.066 ( -1.809 7.866 -1.026) 8.136 8.066 ( 1.809 7.866 -1.026) 8.136 8.480 ( -10.181 7.654 0.249) 12.740 8.480 ( 10.181 7.654 0.249) 12.740 9.053 ( -1.150 7.526 -2.404) 7.984 9.053 ( 1.150 7.526 -2.404) 7.984 9.374 ( -0.690 -3.782 -1.346) 4.074 9.374 ( 0.690 -3.782 -1.346) 4.074 9.978 ( -0.949 -0.507 2.307) 2.545 9.978 ( 0.949 -0.507 2.307) 2.545 10.297 ( -2.335 -6.894 -1.564) 7.444 10.297 ( 2.335 -6.894 -1.564) 7.444 ======================= Grid point 90 (37/105) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.000 9.695 0.087) 9.695 1.892 ( 0.000 11.371 -1.961) 11.539 1.968 ( 0.000 4.128 -2.410) 4.780 2.042 ( 0.000 4.771 -0.825) 4.842 2.155 ( 0.000 2.883 3.501) 4.535 2.165 ( 0.000 -1.149 5.840) 5.952 2.256 ( 0.000 -1.183 -0.774) 1.414 2.301 ( 0.000 -2.027 -2.106) 2.923 2.464 ( 0.000 -1.399 -0.338) 1.440 2.593 ( 0.000 -1.224 -0.039) 1.225 2.652 ( 0.000 -1.516 1.757) 2.320 2.700 ( 0.000 -2.236 -5.600) 6.030 2.943 ( 0.000 1.385 0.445) 1.455 2.995 ( 0.000 1.419 -1.128) 1.812 3.001 ( 0.000 0.039 -0.602) 0.603 3.051 ( 0.000 -0.292 2.209) 2.228 3.304 ( 0.000 1.123 -4.224) 4.371 3.313 ( 0.000 -1.376 0.311) 1.410 3.551 ( 0.000 -4.412 5.583) 7.116 3.648 ( 0.000 -3.687 -5.871) 6.932 3.931 ( 0.000 10.843 -0.190) 10.845 4.034 ( 0.000 6.286 -0.421) 6.300 4.278 ( 0.000 9.757 3.302) 10.301 4.286 ( 0.000 9.715 1.241) 9.794 6.538 ( 0.000 2.272 1.143) 2.543 6.717 ( 0.000 -0.666 -1.965) 2.075 6.733 ( 0.000 0.512 -1.481) 1.567 6.886 ( 0.000 -0.967 -4.534) 4.636 7.016 ( 0.000 4.170 -1.721) 4.511 7.102 ( 0.000 0.640 3.204) 3.267 7.214 ( 0.000 -2.180 -1.047) 2.418 7.250 ( 0.000 -3.520 1.109) 3.691 7.667 ( 0.000 4.875 -3.669) 6.101 7.731 ( 0.000 2.696 -3.616) 4.511 7.911 ( 0.000 3.905 0.576) 3.947 7.921 ( 0.000 2.526 -0.625) 2.602 8.216 ( 0.000 9.520 -2.559) 9.858 8.218 ( 0.000 5.474 -1.971) 5.818 8.385 ( 0.000 5.917 3.983) 7.133 8.729 ( 0.000 -4.194 -0.754) 4.261 9.132 ( 0.000 0.786 -1.052) 1.313 9.165 ( 0.000 1.923 -3.457) 3.955 9.307 ( 0.000 0.930 2.560) 2.723 9.367 ( 0.000 -0.445 -0.713) 0.841 9.948 ( 0.000 0.103 0.783) 0.789 10.023 ( 0.000 1.986 1.694) 2.611 10.106 ( 0.000 -5.435 -0.911) 5.511 10.219 ( 0.000 -4.913 -0.662) 4.958 ======================= Grid point 91 (38/105) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 0.486 8.893 -0.035) 8.906 1.881 ( -0.989 10.926 -1.326) 11.051 1.946 ( -0.853 7.034 0.055) 7.086 2.036 ( -5.029 5.385 3.770) 8.277 2.080 ( 2.673 0.878 -1.558) 3.216 2.205 ( -3.407 -2.072 -1.721) 4.343 2.319 ( 7.526 -3.383 1.430) 8.374 2.351 ( 4.227 0.980 -0.403) 4.358 2.450 ( -1.142 -1.471 0.014) 1.862 2.586 ( -1.319 -0.581 -0.322) 1.477 2.646 ( -0.536 -1.623 1.351) 2.179 2.670 ( -2.684 -2.378 -3.657) 5.122 2.953 ( 0.977 1.575 0.396) 1.895 2.991 ( -0.604 2.233 0.320) 2.336 3.011 ( 1.016 -0.805 -1.331) 1.858 3.047 ( -0.484 -0.344 1.673) 1.775 3.304 ( 0.510 0.513 -1.983) 2.111 3.327 ( 0.664 -0.258 -1.293) 1.476 3.531 ( -1.259 -5.242 2.626) 5.997 3.600 ( -3.815 -3.516 -4.846) 7.099 3.990 ( 5.219 10.422 -0.120) 11.656 4.082 ( 3.948 7.504 0.030) 8.479 4.233 ( -3.487 9.808 2.718) 10.758 4.273 ( -2.071 8.789 2.041) 9.258 6.560 ( 2.269 2.538 0.822) 3.502 6.689 ( -3.287 3.827 -0.848) 5.115 6.746 ( 2.172 -3.863 -2.387) 5.034 6.862 ( -2.413 -1.637 -4.010) 4.958 7.038 ( 1.832 3.569 -1.344) 4.231 7.091 ( -0.943 1.154 2.123) 2.594 7.220 ( 0.655 -2.360 -0.671) 2.539 7.248 ( -0.339 -3.188 0.773) 3.298 7.685 ( 1.794 5.220 -3.690) 6.640 7.740 ( 0.552 3.847 -4.093) 5.644 7.884 ( -1.953 2.779 1.021) 3.547 7.904 ( -1.602 2.031 -0.468) 2.629 8.211 ( 0.659 8.145 -1.747) 8.356 8.239 ( 0.408 8.225 -1.375) 8.349 8.438 ( 5.428 4.141 2.479) 7.264 8.685 ( -4.544 -2.463 -0.380) 5.183 9.134 ( 0.328 1.003 -1.249) 1.635 9.164 ( -0.384 3.593 -2.529) 4.411 9.291 ( -0.417 -2.156 1.278) 2.541 9.356 ( -1.583 -0.809 -0.356) 1.813 9.959 ( 1.159 0.567 0.934) 1.593 10.013 ( -1.016 1.869 1.517) 2.613 10.133 ( 2.394 -5.215 -0.808) 5.795 10.210 ( -1.030 -4.945 -0.686) 5.097 ======================= Grid point 92 (39/105) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -0.444 9.327 -0.365) 9.345 1.867 ( 0.444 9.327 -0.365) 9.345 1.962 ( -2.485 7.725 2.319) 8.440 1.962 ( 2.485 7.725 2.319) 8.440 2.139 ( -3.384 -1.188 -2.128) 4.171 2.139 ( 3.384 -1.188 -2.128) 4.171 2.394 ( -2.269 -2.407 -1.302) 3.555 2.394 ( 2.269 -2.407 -1.302) 3.555 2.507 ( -6.722 0.003 0.634) 6.751 2.507 ( 6.722 0.003 0.634) 6.751 2.640 ( -0.217 -1.924 -0.129) 1.941 2.640 ( 0.217 -1.924 -0.129) 1.941 2.974 ( -1.088 1.932 0.387) 2.251 2.974 ( 1.088 1.932 0.387) 2.251 3.032 ( -1.043 -0.546 0.223) 1.198 3.032 ( 1.043 -0.546 0.223) 1.198 3.322 ( -1.025 0.442 -1.058) 1.538 3.322 ( 1.025 0.442 -1.058) 1.538 3.537 ( -2.182 -5.015 -2.371) 5.961 3.537 ( 2.182 -5.015 -2.371) 5.961 4.094 ( -4.388 10.804 0.190) 11.662 4.094 ( 4.388 10.804 0.190) 11.662 4.216 ( -3.009 7.659 2.538) 8.611 4.216 ( 3.009 7.659 2.538) 8.611 6.619 ( -3.660 3.200 0.026) 4.862 6.619 ( 3.660 3.200 0.026) 4.862 6.803 ( -3.426 -2.919 -3.010) 5.415 6.803 ( 3.426 -2.919 -3.010) 5.415 7.070 ( -1.378 2.343 0.023) 2.718 7.070 ( 1.378 2.343 0.023) 2.718 7.236 ( -0.836 -2.719 0.070) 2.846 7.236 ( 0.836 -2.719 0.070) 2.846 7.727 ( -2.064 5.657 -4.127) 7.301 7.727 ( 2.064 5.657 -4.127) 7.301 7.873 ( -1.088 1.254 0.567) 1.754 7.873 ( 1.088 1.254 0.567) 1.754 8.231 ( -1.035 8.620 -1.032) 8.743 8.231 ( 1.035 8.620 -1.032) 8.743 8.567 ( -7.221 1.072 0.661) 7.330 8.567 ( 7.221 1.072 0.661) 7.330 9.148 ( -1.027 2.651 -1.441) 3.187 9.148 ( 1.027 2.651 -1.441) 3.187 9.313 ( -2.313 -2.634 -0.090) 3.506 9.313 ( 2.313 -2.634 -0.090) 3.506 9.987 ( -1.610 1.414 1.237) 2.474 9.987 ( 1.610 1.414 1.237) 2.474 10.179 ( -2.157 -5.029 -0.735) 5.521 10.179 ( 2.157 -5.029 -0.735) 5.521 ======================= Grid point 95 (40/105) ======================= q-point: ( 0.00 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.000 5.166 -0.608) 5.202 2.017 ( 0.000 2.992 -0.771) 3.090 2.061 ( 0.000 1.697 -1.019) 1.980 2.072 ( 0.000 -0.827 0.812) 1.159 2.172 ( 0.000 1.365 -0.733) 1.550 2.186 ( 0.000 -0.583 -0.237) 0.629 2.251 ( 0.000 2.722 1.967) 3.359 2.319 ( 0.000 1.544 -2.065) 2.578 2.411 ( 0.000 -0.997 1.534) 1.829 2.507 ( 0.000 -6.379 0.843) 6.434 2.656 ( 0.000 1.023 -0.201) 1.042 2.674 ( 0.000 -0.747 -2.517) 2.625 2.963 ( 0.000 0.766 -0.670) 1.018 2.979 ( 0.000 -0.949 -1.742) 1.984 3.029 ( 0.000 0.955 0.881) 1.299 3.042 ( 0.000 -0.541 1.721) 1.804 3.308 ( 0.000 0.685 -0.596) 0.908 3.319 ( 0.000 0.198 -3.483) 3.489 3.491 ( 0.000 -0.409 1.265) 1.330 3.544 ( 0.000 -4.990 -3.620) 6.165 4.108 ( 0.000 5.699 0.705) 5.743 4.139 ( 0.000 2.511 0.356) 2.536 4.416 ( 0.000 3.731 2.108) 4.286 4.419 ( 0.000 3.417 1.447) 3.711 6.586 ( 0.000 2.647 0.437) 2.683 6.646 ( 0.000 -3.446 -0.745) 3.525 6.802 ( 0.000 3.324 -2.100) 3.932 6.856 ( 0.000 -2.082 -3.342) 3.937 7.094 ( 0.000 3.618 -1.254) 3.829 7.130 ( 0.000 2.161 1.402) 2.576 7.161 ( 0.000 -3.086 -0.665) 3.157 7.184 ( 0.000 -3.079 0.314) 3.095 7.740 ( 0.000 2.337 -3.122) 3.900 7.760 ( 0.000 0.283 -2.797) 2.812 7.956 ( 0.000 0.995 -2.510) 2.701 7.958 ( 0.000 0.945 -2.463) 2.638 8.334 ( 0.000 5.190 -0.908) 5.269 8.370 ( 0.000 3.642 -1.625) 3.988 8.472 ( 0.000 4.998 1.760) 5.299 8.611 ( 0.000 -7.249 -0.285) 7.254 9.128 ( 0.000 -0.484 0.158) 0.509 9.138 ( 0.000 -1.748 -0.905) 1.968 9.356 ( 0.000 1.831 1.356) 2.279 9.368 ( 0.000 0.184 0.271) 0.328 9.962 ( 0.000 1.502 0.188) 1.513 10.013 ( 0.000 -3.661 -0.357) 3.679 10.073 ( 0.000 2.895 0.622) 2.961 10.137 ( 0.000 -3.544 -0.090) 3.545 ======================= Grid point 96 (41/105) ======================= q-point: ( 0.25 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.037 4.907 -0.871) 4.983 2.022 ( -0.356 4.256 -1.277) 4.457 2.046 ( 0.324 0.990 -0.879) 1.363 2.078 ( 0.154 0.406 0.121) 0.451 2.154 ( -1.330 1.756 -0.738) 2.323 2.198 ( -3.002 6.137 1.384) 6.970 2.227 ( 2.905 -4.734 0.924) 5.631 2.341 ( -0.820 -5.462 -0.937) 5.602 2.441 ( 4.312 3.563 1.237) 5.729 2.535 ( 2.577 -4.641 0.277) 5.315 2.632 ( -2.801 0.658 -0.134) 2.880 2.647 ( -2.367 -0.610 -1.737) 2.999 2.975 ( 1.174 0.803 -0.459) 1.494 2.992 ( 1.167 -0.922 -1.227) 1.928 3.021 ( -0.760 0.954 0.664) 1.389 3.036 ( -0.674 -0.642 1.276) 1.580 3.319 ( 1.276 1.374 -0.996) 2.123 3.338 ( 1.760 0.386 -3.403) 3.850 3.455 ( -3.071 -1.258 0.538) 3.362 3.501 ( -3.826 -4.850 -3.536) 7.118 4.163 ( 5.143 5.666 0.977) 7.714 4.195 ( 5.056 2.537 0.633) 5.692 4.377 ( -3.767 4.190 1.881) 5.940 4.392 ( -3.084 2.749 1.587) 4.425 6.613 ( 2.696 2.784 0.162) 3.879 6.673 ( 2.740 -3.337 -0.966) 4.425 6.762 ( -3.707 3.342 -1.542) 5.224 6.821 ( -3.420 -2.529 -2.679) 5.026 7.106 ( 0.961 3.169 -1.159) 3.509 7.127 ( -0.165 2.382 0.678) 2.482 7.167 ( 0.560 -2.820 -0.709) 2.961 7.185 ( -0.026 -3.047 0.035) 3.047 7.766 ( 2.549 2.685 -3.067) 4.808 7.786 ( 2.518 0.668 -2.882) 3.885 7.920 ( -3.381 1.002 -2.241) 4.179 7.927 ( -2.785 0.334 -2.443) 3.719 8.357 ( 2.098 6.247 -0.740) 6.631 8.402 ( 2.055 5.578 -1.645) 6.168 8.474 ( 0.847 1.309 1.542) 2.193 8.589 ( -2.244 -6.596 -0.285) 6.973 9.141 ( 1.764 0.568 -0.014) 1.853 9.169 ( 2.826 -1.763 -0.565) 3.379 9.298 ( -4.645 1.990 0.978) 5.147 9.337 ( -3.615 -1.493 0.435) 3.935 9.985 ( 2.123 2.104 0.272) 3.001 10.042 ( 2.481 -3.467 -0.315) 4.275 10.063 ( -1.035 2.631 0.599) 2.890 10.126 ( -1.129 -3.594 -0.114) 3.769 ======================= Grid point 97 (42/105) ======================= q-point: (-0.50 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -0.582 4.901 -1.458) 5.146 2.008 ( 0.582 4.901 -1.458) 5.146 2.071 ( -1.197 -0.503 -0.990) 1.633 2.071 ( 1.197 -0.503 -0.990) 1.633 2.148 ( -1.385 5.969 1.140) 6.233 2.148 ( 1.385 5.969 1.140) 6.233 2.293 ( -3.444 -6.928 0.536) 7.755 2.293 ( 3.444 -6.928 0.536) 7.755 2.543 ( -5.144 2.752 -0.102) 5.835 2.543 ( 5.144 2.752 -0.102) 5.835 2.597 ( -2.661 -2.445 -0.266) 3.624 2.597 ( 2.661 -2.445 -0.266) 3.624 3.001 ( -1.322 0.895 0.097) 1.599 3.001 ( 1.322 0.895 0.097) 1.599 3.017 ( -1.292 -0.819 0.081) 1.532 3.017 ( 1.292 -0.819 0.081) 1.532 3.352 ( -1.464 2.826 -1.847) 3.680 3.352 ( 1.464 2.826 -1.847) 3.680 3.432 ( -2.261 -4.965 -2.310) 5.925 3.432 ( 2.261 -4.965 -2.310) 5.925 4.269 ( -3.739 5.940 0.973) 7.086 4.269 ( 3.739 5.940 0.973) 7.086 4.313 ( -3.272 1.564 1.764) 4.032 4.313 ( 3.272 1.564 1.764) 4.032 6.682 ( -4.268 3.120 -0.583) 5.319 6.682 ( 4.268 3.120 -0.583) 5.319 6.743 ( -4.269 -3.062 -1.630) 5.501 6.743 ( 4.269 -3.062 -1.630) 5.501 7.121 ( -0.544 2.786 -0.491) 2.881 7.121 ( 0.544 2.786 -0.491) 2.881 7.179 ( -0.583 -2.930 -0.494) 3.028 7.179 ( 0.583 -2.930 -0.494) 3.028 7.821 ( -1.655 3.732 -3.500) 5.377 7.821 ( 1.655 3.732 -3.500) 5.377 7.872 ( -1.268 -1.336 -1.703) 2.508 7.872 ( 1.268 -1.336 -1.703) 2.508 8.399 ( -1.863 7.908 -0.597) 8.147 8.399 ( 1.863 7.908 -0.597) 8.147 8.528 ( -3.859 -4.647 0.006) 6.040 8.528 ( 3.859 -4.647 0.006) 6.040 9.195 ( -3.157 2.658 -0.077) 4.128 9.195 ( 3.157 2.658 -0.077) 4.128 9.256 ( -3.619 -3.194 0.480) 4.850 9.256 ( 3.619 -3.194 0.480) 4.850 10.029 ( -2.195 2.723 0.416) 3.523 10.029 ( 2.195 2.723 0.416) 3.523 10.093 ( -2.317 -3.701 -0.165) 4.369 10.093 ( 2.317 -3.701 -0.165) 4.369 ======================= Grid point 130 (43/105) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.000 0.000 15.553) 15.553 1.089 ( 0.000 0.000 23.794) 23.794 1.109 ( 0.000 0.000 4.856) 4.856 1.331 ( 0.000 0.000 -7.152) 7.152 1.793 ( 0.000 0.000 -0.382) 0.382 1.857 ( 0.000 0.000 42.213) 42.213 1.965 ( 0.000 0.000 0.316) 0.316 2.050 ( 0.000 0.000 -1.498) 1.498 2.090 ( 0.000 0.000 -10.100) 10.100 2.312 ( 0.000 0.000 -7.467) 7.467 2.402 ( 0.000 0.000 -4.138) 4.138 2.405 ( 0.000 0.000 -4.113) 4.113 2.682 ( 0.000 0.000 4.380) 4.380 2.752 ( 0.000 0.000 3.651) 3.651 2.889 ( 0.000 0.000 2.911) 2.911 2.906 ( 0.000 0.000 2.576) 2.576 3.061 ( 0.000 0.000 -7.765) 7.765 3.183 ( 0.000 0.000 6.389) 6.389 3.266 ( 0.000 0.000 4.248) 4.248 3.480 ( 0.000 0.000 8.557) 8.557 3.572 ( 0.000 0.000 -4.290) 4.290 3.894 ( 0.000 0.000 -3.189) 3.189 4.261 ( 0.000 0.000 -0.625) 0.625 4.323 ( 0.000 0.000 -11.423) 11.423 6.460 ( 0.000 0.000 7.023) 7.023 6.501 ( 0.000 0.000 -4.973) 4.973 6.557 ( 0.000 0.000 2.879) 2.879 6.637 ( 0.000 0.000 4.591) 4.591 6.927 ( 0.000 0.000 -4.948) 4.948 6.983 ( 0.000 0.000 0.285) 0.285 7.019 ( 0.000 0.000 -2.437) 2.437 7.137 ( 0.000 0.000 -2.538) 2.538 7.290 ( 0.000 0.000 0.921) 0.921 7.307 ( 0.000 0.000 -1.117) 1.117 7.375 ( 0.000 0.000 -7.055) 7.055 7.394 ( 0.000 0.000 -5.781) 5.781 7.574 ( 0.000 0.000 0.979) 0.979 7.588 ( 0.000 0.000 1.477) 1.477 7.856 ( 0.000 0.000 8.296) 8.296 7.947 ( 0.000 0.000 3.529) 3.529 7.950 ( 0.000 0.000 3.023) 3.023 8.518 ( 0.000 0.000 -10.599) 10.599 9.582 ( 0.000 0.000 -3.666) 3.666 9.635 ( 0.000 0.000 -2.970) 2.970 10.236 ( 0.000 0.000 6.730) 6.730 10.424 ( 0.000 0.000 -2.274) 2.274 10.478 ( 0.000 0.000 -2.754) 2.754 10.819 ( 0.000 0.000 -11.872) 11.872 ======================= Grid point 131 (44/105) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 5.824 0.000 13.388) 14.600 1.034 ( -2.569 0.000 23.654) 23.793 1.058 ( -5.013 0.000 6.069) 7.872 1.236 ( -8.623 0.000 1.237) 8.711 1.818 ( 2.905 0.000 -5.430) 6.158 1.958 ( 2.195 0.000 9.286) 9.542 1.980 ( 1.448 0.000 -0.030) 1.448 2.040 ( -1.042 0.000 -1.289) 1.658 2.121 ( 9.165 0.000 15.692) 18.172 2.403 ( 0.037 0.000 -4.136) 4.136 2.403 ( 7.933 0.000 -5.348) 9.567 2.404 ( -0.039 0.000 -4.119) 4.119 2.616 ( -5.618 0.000 7.717) 9.545 2.792 ( -1.300 0.000 -0.430) 1.369 2.891 ( 0.250 0.000 2.859) 2.870 2.904 ( -0.259 0.000 2.623) 2.635 2.988 ( -3.817 0.000 -2.684) 4.666 3.154 ( -5.271 0.000 7.661) 9.299 3.228 ( -0.373 0.000 2.908) 2.931 3.328 ( -5.945 0.000 -0.518) 5.968 3.794 ( 12.830 0.000 0.951) 12.866 3.965 ( 5.642 0.000 -3.672) 6.731 4.225 ( -3.256 0.000 -2.279) 3.974 4.288 ( -3.508 0.000 -10.398) 10.974 6.481 ( 2.130 0.000 6.761) 7.088 6.503 ( 0.332 0.000 -4.056) 4.070 6.542 ( -1.317 0.000 0.880) 1.584 6.603 ( -3.130 0.000 5.102) 5.986 6.936 ( 1.172 0.000 -3.744) 3.923 7.013 ( 2.757 0.000 -0.269) 2.770 7.016 ( -1.031 0.000 -2.724) 2.912 7.119 ( -1.854 0.000 -2.203) 2.879 7.253 ( -0.874 0.000 1.620) 1.841 7.324 ( -1.219 0.000 1.848) 2.214 7.378 ( 0.317 0.000 -6.878) 6.885 7.392 ( -0.224 0.000 -6.002) 6.006 7.515 ( -1.840 0.000 2.420) 3.040 7.568 ( -1.529 0.000 0.493) 1.606 7.948 ( 0.028 0.000 3.452) 3.452 7.949 ( -0.029 0.000 3.115) 3.115 8.023 ( 12.654 0.000 2.395) 12.879 8.441 ( -7.435 0.000 -7.636) 10.657 9.591 ( 0.864 0.000 -3.479) 3.584 9.627 ( -0.732 0.000 -2.927) 3.017 10.245 ( 1.126 0.000 6.345) 6.444 10.350 ( -4.072 0.000 3.226) 5.195 10.590 ( 7.301 0.000 -9.664) 12.112 10.794 ( -2.666 0.000 -12.288) 12.574 ======================= Grid point 132 (45/105) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -7.456 0.000 9.296) 11.917 0.934 ( 7.456 0.000 9.296) 11.917 1.072 ( -6.643 0.000 14.564) 16.007 1.072 ( 6.643 0.000 14.564) 16.007 1.898 ( -4.957 0.000 -8.989) 10.265 1.898 ( 4.957 0.000 -8.989) 10.265 2.012 ( -1.714 0.000 -0.724) 1.860 2.012 ( 1.714 0.000 -0.724) 1.860 2.391 ( -13.407 0.000 21.934) 25.707 2.391 ( 13.407 0.000 21.934) 25.707 2.404 ( -0.056 0.000 -4.130) 4.130 2.404 ( 0.056 0.000 -4.130) 4.130 2.629 ( -10.498 0.000 -4.241) 11.323 2.629 ( 10.498 0.000 -4.241) 11.323 2.898 ( -0.360 0.000 2.739) 2.762 2.898 ( 0.360 0.000 2.739) 2.762 3.034 ( -5.791 0.000 0.796) 5.846 3.034 ( 5.791 0.000 0.796) 5.846 3.255 ( -2.468 0.000 2.141) 3.267 3.255 ( 2.468 0.000 2.141) 3.267 3.988 ( -5.905 0.000 -0.510) 5.927 3.988 ( 5.905 0.000 -0.510) 5.927 4.208 ( -3.377 0.000 -7.854) 8.549 4.208 ( 3.377 0.000 -7.854) 8.549 6.517 ( -1.143 0.000 -2.146) 2.431 6.517 ( 1.143 0.000 -2.146) 2.431 6.536 ( -3.499 0.000 6.038) 6.979 6.536 ( 3.499 0.000 6.038) 6.979 6.974 ( -2.654 0.000 -2.544) 3.676 6.974 ( 2.654 0.000 -2.544) 3.676 7.071 ( -3.033 0.000 -1.328) 3.311 7.071 ( 3.033 0.000 -1.328) 3.311 7.275 ( -2.647 0.000 3.069) 4.053 7.275 ( 2.647 0.000 3.069) 4.053 7.386 ( -0.395 0.000 -6.461) 6.473 7.386 ( 0.395 0.000 -6.461) 6.473 7.530 ( -2.138 0.000 0.551) 2.208 7.530 ( 2.138 0.000 0.551) 2.208 7.948 ( -0.052 0.000 3.291) 3.292 7.948 ( 0.052 0.000 3.291) 3.292 8.258 ( -11.343 0.000 -2.793) 11.682 8.258 ( 11.343 0.000 -2.793) 11.682 9.610 ( -1.021 0.000 -3.095) 3.259 9.610 ( 1.021 0.000 -3.095) 3.259 10.283 ( -2.860 0.000 5.430) 6.138 10.283 ( 2.860 0.000 5.430) 6.138 10.716 ( -5.525 0.000 -12.506) 13.672 10.716 ( 5.525 0.000 -12.506) 13.672 ======================= Grid point 135 (46/105) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.000 21.039 12.175) 24.308 1.087 ( 0.000 2.710 19.972) 20.155 1.394 ( 0.000 6.496 -6.139) 8.938 1.412 ( 0.000 23.792 4.430) 24.201 1.777 ( 0.000 -1.153 -0.459) 1.241 1.919 ( 0.000 6.670 33.890) 34.540 1.969 ( 0.000 1.328 0.755) 1.527 2.085 ( 0.000 1.518 -7.907) 8.052 2.185 ( 0.000 10.627 -2.089) 10.831 2.360 ( 0.000 4.893 -6.374) 8.036 2.434 ( 0.000 2.687 -4.402) 5.157 2.454 ( 0.000 3.759 -1.294) 3.975 2.650 ( 0.000 -2.618 3.582) 4.437 2.755 ( 0.000 0.525 4.075) 4.109 2.911 ( 0.000 2.038 2.258) 3.041 2.958 ( 0.000 4.344 2.272) 4.903 3.057 ( 0.000 -0.379 -6.324) 6.336 3.179 ( 0.000 -0.126 6.162) 6.163 3.303 ( 0.000 4.349 3.208) 5.404 3.480 ( 0.000 0.173 8.888) 8.890 3.563 ( 0.000 -0.819 -3.542) 3.636 3.872 ( 0.000 -2.007 -2.960) 3.576 4.231 ( 0.000 -3.008 -0.462) 3.043 4.290 ( 0.000 -3.249 -11.213) 11.674 6.419 ( 0.000 -0.147 0.532) 0.552 6.545 ( 0.000 -0.700 2.485) 2.581 6.700 ( 0.000 10.858 -0.345) 10.863 6.826 ( 0.000 17.304 3.227) 17.602 6.899 ( 0.000 -1.978 -5.698) 6.031 6.920 ( 0.000 -2.666 -1.608) 3.113 7.081 ( 0.000 3.557 0.397) 3.580 7.225 ( 0.000 5.050 -0.431) 5.069 7.300 ( 0.000 0.417 -1.890) 1.936 7.316 ( 0.000 1.943 -1.193) 2.280 7.436 ( 0.000 5.737 -5.524) 7.964 7.469 ( 0.000 5.880 -3.518) 6.852 7.581 ( 0.000 1.589 1.065) 1.913 7.712 ( 0.000 13.367 -3.179) 13.739 7.841 ( 0.000 -0.310 5.666) 5.674 7.987 ( 0.000 3.645 1.183) 3.832 8.043 ( 0.000 8.789 4.499) 9.874 8.544 ( 0.000 2.858 -9.939) 10.342 9.555 ( 0.000 -2.535 -3.736) 4.515 9.599 ( 0.000 -3.428 -3.056) 4.592 10.207 ( 0.000 -2.777 6.335) 6.917 10.348 ( 0.000 -6.360 0.701) 6.398 10.454 ( 0.000 -2.370 -2.778) 3.651 10.755 ( 0.000 -6.043 -10.554) 12.161 ======================= Grid point 136 (47/105) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.293 7.587 16.702) 18.346 1.127 ( 4.113 17.570 13.418) 22.487 1.286 ( -9.253 7.047 0.836) 11.661 1.359 ( -5.206 22.866 5.668) 24.126 1.809 ( 3.474 -0.333 -4.676) 5.835 1.960 ( -1.728 1.332 -1.992) 2.954 2.016 ( 5.782 2.897 15.512) 16.806 2.089 ( 0.628 4.255 -0.612) 4.345 2.215 ( 5.012 9.616 4.718) 11.826 2.396 ( 0.876 2.614 -4.123) 4.960 2.458 ( 2.250 4.726 -1.003) 5.329 2.466 ( 3.945 2.163 -4.171) 6.135 2.604 ( -4.180 -0.755 5.877) 7.252 2.774 ( -1.154 -0.870 1.461) 2.055 2.912 ( -0.100 1.813 1.951) 2.665 2.942 ( -2.115 3.236 2.850) 4.803 3.018 ( -1.294 2.665 -2.977) 4.200 3.176 ( -3.778 2.585 8.161) 9.357 3.228 ( -2.572 0.495 3.500) 4.372 3.334 ( -5.647 1.047 -0.809) 5.800 3.778 ( 12.157 -1.551 1.694) 12.372 3.937 ( 5.111 -2.621 -3.450) 6.700 4.198 ( -2.903 -2.657 -1.968) 4.400 4.256 ( -3.359 -3.102 -10.194) 11.172 6.435 ( 1.646 -0.336 0.429) 1.734 6.524 ( -2.040 -0.757 1.533) 2.662 6.706 ( 0.757 11.157 0.306) 11.187 6.788 ( -3.056 14.559 2.620) 15.105 6.906 ( 1.281 -1.188 -4.186) 4.536 6.944 ( 0.993 -0.477 -2.551) 2.779 7.098 ( 1.629 3.180 0.032) 3.573 7.206 ( -2.946 5.948 -0.601) 6.665 7.270 ( 0.743 1.245 0.057) 1.451 7.349 ( 0.320 1.954 -0.287) 2.000 7.439 ( 0.582 6.066 -5.120) 7.959 7.479 ( 0.875 6.810 -3.269) 7.604 7.552 ( -3.650 4.547 1.330) 5.981 7.589 ( -4.651 4.684 0.654) 6.633 7.943 ( 3.414 1.046 1.546) 3.891 7.983 ( -0.351 3.274 1.610) 3.665 8.126 ( 8.938 9.237 1.394) 12.929 8.477 ( -6.499 3.811 -7.496) 10.628 9.563 ( 0.708 -2.712 -3.557) 4.529 9.593 ( -0.588 -3.275 -3.063) 4.522 10.215 ( 1.023 -2.825 6.007) 6.717 10.303 ( -3.102 -4.376 3.617) 6.470 10.538 ( 6.455 -4.478 -7.367) 10.770 10.731 ( -2.589 -5.935 -10.762) 12.559 ======================= Grid point 137 (48/105) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -7.336 5.078 11.666) 14.686 1.100 ( 7.336 5.078 11.666) 14.686 1.243 ( -6.209 22.836 8.053) 24.997 1.243 ( 6.209 22.836 8.053) 24.997 1.892 ( -4.654 0.185 -7.271) 8.635 1.892 ( 4.654 0.185 -7.271) 8.635 2.080 ( -1.785 5.393 2.388) 6.162 2.080 ( 1.785 5.393 2.388) 6.162 2.355 ( -5.673 1.876 3.170) 6.764 2.355 ( 5.673 1.876 3.170) 6.764 2.508 ( -4.654 3.669 6.630) 8.893 2.508 ( 4.654 3.669 6.630) 8.893 2.632 ( -10.802 1.859 -1.222) 11.029 2.632 ( 10.802 1.859 -1.222) 11.029 2.915 ( -0.738 1.795 2.824) 3.427 2.915 ( 0.738 1.795 2.824) 3.427 3.063 ( -5.027 2.919 0.947) 5.890 3.063 ( 5.027 2.919 0.947) 5.890 3.256 ( -2.981 0.586 2.351) 3.842 3.256 ( 2.981 0.586 2.351) 3.842 3.958 ( -5.248 -2.863 -0.075) 5.979 3.958 ( 5.248 -2.863 -0.075) 5.979 4.183 ( -2.911 -2.467 -7.466) 8.384 4.183 ( 2.911 -2.467 -7.466) 8.384 6.477 ( -2.582 -0.669 0.497) 2.713 6.477 ( 2.582 -0.669 0.497) 2.713 6.735 ( -2.262 12.376 1.539) 12.675 6.735 ( 2.262 12.376 1.539) 12.675 6.938 ( -1.512 -0.156 -3.204) 3.546 6.938 ( 1.512 -0.156 -3.204) 3.546 7.142 ( -3.004 4.187 -0.334) 5.164 7.142 ( 3.004 4.187 -0.334) 5.164 7.315 ( -3.026 2.931 1.789) 4.577 7.315 ( 3.026 2.931 1.789) 4.577 7.463 ( -1.848 8.909 -4.025) 9.949 7.463 ( 1.848 8.909 -4.025) 9.949 7.537 ( -2.104 1.010 0.194) 2.341 7.537 ( 2.104 1.010 0.194) 2.341 7.974 ( -0.721 2.465 1.856) 3.169 7.974 ( 0.721 2.465 1.856) 3.169 8.317 ( -9.798 6.098 -3.339) 12.014 8.317 ( 9.798 6.098 -3.339) 12.014 9.579 ( -0.868 -3.003 -3.229) 4.494 9.579 ( 0.868 -3.003 -3.229) 4.494 10.249 ( -2.434 -3.262 5.250) 6.642 10.249 ( 2.434 -3.262 5.250) 6.642 10.655 ( -5.303 -5.548 -10.444) 12.960 10.655 ( 5.303 -5.548 -10.444) 12.960 ======================= Grid point 140 (49/105) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.000 8.220 14.267) 16.465 1.357 ( 0.000 11.371 12.806) 17.125 1.563 ( 0.000 8.877 -0.930) 8.926 1.753 ( 0.000 0.702 -0.797) 1.062 1.895 ( 0.000 18.524 0.016) 18.524 1.952 ( 0.000 1.204 1.195) 1.696 2.156 ( 0.000 7.333 -4.051) 8.377 2.232 ( 0.000 17.984 8.624) 19.945 2.426 ( 0.000 11.566 -0.179) 11.568 2.446 ( 0.000 2.618 -0.700) 2.710 2.486 ( 0.000 2.319 -5.424) 5.899 2.520 ( 0.000 0.963 2.892) 3.048 2.638 ( 0.000 4.572 1.725) 4.887 2.784 ( 0.000 2.798 4.857) 5.606 2.955 ( 0.000 1.828 1.078) 2.122 3.028 ( 0.000 0.926 -1.210) 1.524 3.068 ( 0.000 3.147 0.981) 3.296 3.195 ( 0.000 2.449 4.761) 5.354 3.447 ( 0.000 8.272 -3.104) 8.836 3.487 ( 0.000 0.158 8.016) 8.018 3.554 ( 0.000 1.668 0.988) 1.939 3.836 ( 0.000 -0.621 -1.664) 1.776 4.143 ( 0.000 -5.752 0.044) 5.752 4.198 ( 0.000 -5.728 -10.262) 11.752 6.438 ( 0.000 1.797 0.475) 1.859 6.544 ( 0.000 0.757 1.699) 1.860 6.806 ( 0.000 0.967 1.116) 1.477 6.851 ( 0.000 -2.678 -5.941) 6.516 6.898 ( 0.000 -0.130 -1.045) 1.053 7.147 ( 0.000 2.199 1.553) 2.692 7.218 ( 0.000 14.974 0.409) 14.979 7.255 ( 0.000 2.288 -2.911) 3.702 7.362 ( 0.000 5.507 0.174) 5.510 7.387 ( 0.000 5.199 -2.154) 5.627 7.503 ( 0.000 1.094 0.051) 1.095 7.586 ( 0.000 6.294 -1.299) 6.427 7.720 ( 0.000 10.615 1.940) 10.791 7.867 ( 0.000 3.949 2.717) 4.794 7.992 ( 0.000 7.027 -0.321) 7.034 8.143 ( 0.000 16.156 -9.470) 18.727 8.296 ( 0.000 16.451 2.707) 16.672 8.646 ( 0.000 7.582 -7.502) 10.666 9.488 ( 0.000 -4.005 -3.771) 5.501 9.510 ( 0.000 -5.142 -3.281) 6.099 10.138 ( 0.000 -3.734 5.269) 6.458 10.218 ( 0.000 -6.134 3.429) 7.027 10.387 ( 0.000 -4.245 -2.787) 5.078 10.603 ( 0.000 -8.613 -7.553) 11.456 ======================= Grid point 141 (50/105) ======================= q-point: ( 0.25 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.211 9.538 12.982) 16.110 1.401 ( -5.072 10.022 3.327) 11.714 1.491 ( 3.334 9.487 11.125) 14.996 1.774 ( -3.185 11.102 0.328) 11.555 1.866 ( 0.963 7.985 -0.268) 8.048 1.963 ( -0.388 1.686 -3.375) 3.792 2.167 ( 2.753 10.408 -0.205) 10.768 2.272 ( 1.512 14.677 4.315) 15.372 2.417 ( -0.016 8.278 -1.523) 8.417 2.467 ( -1.368 2.843 -4.412) 5.424 2.478 ( 1.883 0.693 -1.360) 2.424 2.523 ( 0.093 -0.300 2.594) 2.613 2.651 ( 2.231 7.600 4.591) 9.155 2.787 ( -0.615 2.505 4.226) 4.951 2.952 ( -0.063 1.928 1.201) 2.273 3.005 ( -1.915 2.559 1.251) 3.432 3.079 ( 1.459 3.511 0.878) 3.902 3.229 ( 2.627 2.450 3.289) 4.870 3.299 ( -9.528 6.234 5.970) 12.856 3.401 ( -4.259 6.665 -2.140) 8.194 3.738 ( 9.981 -2.185 2.986) 10.645 3.879 ( 3.189 -2.438 -2.303) 4.628 4.122 ( -1.741 -4.911 -1.147) 5.335 4.172 ( -2.612 -5.096 -9.389) 10.998 6.450 ( 1.169 1.556 0.529) 2.017 6.523 ( -1.966 0.742 1.382) 2.515 6.810 ( 0.537 0.434 -0.635) 0.939 6.845 ( -0.709 -1.989 -3.946) 4.475 6.933 ( 3.270 0.970 -0.940) 3.538 7.093 ( -4.209 3.482 0.607) 5.496 7.243 ( 1.716 13.307 -0.807) 13.441 7.288 ( 3.007 0.731 -1.036) 3.263 7.324 ( -2.328 6.454 -1.509) 7.025 7.399 ( -0.942 2.681 -0.292) 2.856 7.520 ( 2.424 3.608 -0.055) 4.347 7.595 ( 0.416 5.695 -1.096) 5.815 7.715 ( -0.317 11.691 1.964) 11.859 7.807 ( -4.946 10.920 2.554) 12.257 8.014 ( 1.740 4.816 -0.569) 5.153 8.098 ( -2.958 11.005 -4.743) 12.343 8.378 ( 6.472 15.584 -1.383) 16.931 8.604 ( -4.083 9.005 -6.239) 11.691 9.491 ( 0.318 -4.258 -3.607) 5.590 9.507 ( -0.289 -4.988 -3.328) 6.003 10.145 ( 0.778 -3.852 5.094) 6.434 10.200 ( -1.556 -5.361 4.076) 6.913 10.436 ( 4.314 -5.566 -4.670) 8.450 10.583 ( -2.116 -8.305 -7.525) 11.405 ======================= Grid point 142 (51/105) ======================= q-point: (-0.50 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -7.071 9.592 8.036) 14.373 1.245 ( 7.071 9.592 8.036) 14.373 1.639 ( -8.687 13.179 8.209) 17.791 1.639 ( 8.687 13.179 8.209) 17.791 1.924 ( -3.246 3.086 -5.342) 6.971 1.924 ( 3.246 3.086 -5.342) 6.971 2.244 ( -3.954 12.149 1.734) 12.894 2.244 ( 3.954 12.149 1.734) 12.894 2.434 ( -1.631 3.967 -3.012) 5.241 2.434 ( 1.631 3.967 -3.012) 5.241 2.511 ( -1.331 -1.170 -0.281) 1.795 2.511 ( 1.331 -1.170 -0.281) 1.795 2.731 ( -4.924 6.368 5.901) 9.981 2.731 ( 4.924 6.368 5.901) 9.981 2.968 ( -1.728 3.114 2.655) 4.442 2.968 ( 1.728 3.114 2.655) 4.442 3.141 ( -5.398 4.290 2.089) 7.205 3.141 ( 5.398 4.290 2.089) 7.205 3.313 ( -4.545 6.200 1.475) 7.828 3.313 ( 4.545 6.200 1.475) 7.828 3.883 ( -4.210 -4.465 0.703) 6.177 3.883 ( 4.210 -4.465 0.703) 6.177 4.117 ( -2.089 -3.790 -6.235) 7.590 4.117 ( 2.089 -3.790 -6.235) 7.590 6.482 ( -2.087 1.045 0.819) 2.474 6.482 ( 2.087 1.045 0.819) 2.474 6.827 ( -1.065 -0.647 -2.323) 2.636 6.827 ( 1.065 -0.647 -2.323) 2.636 7.008 ( -4.408 2.704 -0.171) 5.174 7.008 ( 4.408 2.704 -0.171) 5.174 7.280 ( -2.105 9.278 -1.879) 9.697 7.280 ( 2.105 9.278 -1.879) 9.697 7.353 ( -3.293 0.978 0.186) 3.440 7.353 ( 3.293 0.978 0.186) 3.440 7.578 ( -2.526 4.710 -0.520) 5.370 7.578 ( 2.526 4.710 -0.520) 5.370 7.729 ( -2.406 14.390 2.358) 14.779 7.729 ( 2.406 14.390 2.358) 14.779 8.050 ( -2.099 5.940 -1.844) 6.564 8.050 ( 2.099 5.940 -1.844) 6.564 8.503 ( -6.217 12.243 -3.993) 14.300 8.503 ( 6.217 12.243 -3.993) 14.300 9.499 ( -0.505 -4.669 -3.414) 5.806 9.499 ( 0.505 -4.669 -3.414) 5.806 10.168 ( -1.595 -4.397 4.706) 6.635 10.168 ( 1.595 -4.397 4.706) 6.635 10.522 ( -4.170 -7.303 -6.856) 10.850 10.522 ( 4.170 -7.303 -6.856) 10.850 ======================= Grid point 145 (52/105) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.000 11.654 7.407) 13.809 1.552 ( 0.000 8.963 12.327) 15.241 1.723 ( 0.000 7.485 -1.226) 7.584 1.779 ( 0.000 2.392 -1.282) 2.714 2.020 ( 0.000 5.473 -1.377) 5.643 2.105 ( 0.000 5.749 -3.769) 6.874 2.331 ( 0.000 4.240 3.863) 5.736 2.387 ( 0.000 -1.644 1.141) 2.001 2.501 ( 0.000 -0.952 -0.811) 1.251 2.538 ( 0.000 4.530 -5.951) 7.479 2.548 ( 0.000 5.452 -4.936) 7.354 2.604 ( 0.000 5.564 -0.601) 5.597 2.835 ( 0.000 10.487 5.981) 12.073 2.874 ( 0.000 5.699 4.749) 7.418 2.968 ( 0.000 -0.419 -0.053) 0.422 3.050 ( 0.000 2.535 1.402) 2.897 3.152 ( 0.000 5.178 3.333) 6.158 3.303 ( 0.000 8.429 1.236) 8.520 3.460 ( 0.000 -3.198 3.611) 4.824 3.503 ( 0.000 1.961 -3.104) 3.672 3.747 ( 0.000 12.848 0.955) 12.883 3.889 ( 0.000 5.777 0.872) 5.842 4.012 ( 0.000 -6.399 1.233) 6.517 4.080 ( 0.000 -4.932 -7.175) 8.707 6.481 ( 0.000 2.349 1.189) 2.632 6.575 ( 0.000 2.305 0.650) 2.395 6.792 ( 0.000 -3.190 -5.482) 6.343 6.810 ( 0.000 -0.078 -2.247) 2.249 6.897 ( 0.000 0.229 0.864) 0.894 7.166 ( 0.000 0.207 2.305) 2.314 7.231 ( 0.000 -0.901 -2.217) 2.393 7.390 ( 0.000 3.286 -4.232) 5.358 7.425 ( 0.000 -0.995 2.964) 3.126 7.492 ( 0.000 4.968 -1.730) 5.260 7.685 ( 0.000 14.292 -0.274) 14.295 7.725 ( 0.000 7.382 0.462) 7.396 7.847 ( 0.000 3.110 0.477) 3.147 8.043 ( 0.000 0.655 -2.990) 3.061 8.068 ( 0.000 14.128 5.390) 15.121 8.489 ( 0.000 15.170 -7.202) 16.793 8.656 ( 0.000 18.219 0.409) 18.224 8.830 ( 0.000 10.071 -4.825) 11.167 9.406 ( 0.000 -4.040 -3.304) 5.219 9.411 ( 0.000 -4.388 -3.283) 5.481 10.068 ( 0.000 -3.335 4.032) 5.232 10.115 ( 0.000 -3.963 3.741) 5.450 10.291 ( 0.000 -5.243 -2.556) 5.833 10.435 ( 0.000 -7.870 -4.610) 9.121 ======================= Grid point 146 (53/105) ======================= q-point: ( 0.25 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.947 12.285 6.640) 13.997 1.590 ( -7.865 7.763 1.736) 11.187 1.636 ( 7.286 7.951 10.704) 15.195 1.893 ( 6.325 2.982 -2.842) 7.548 1.958 ( -6.298 5.389 2.799) 8.748 2.075 ( -3.029 5.315 -3.309) 6.955 2.338 ( 2.002 2.136 -2.001) 3.546 2.422 ( 1.844 -0.452 2.424) 3.079 2.484 ( -1.184 -0.174 -2.881) 3.119 2.533 ( -0.487 2.872 -4.464) 5.330 2.549 ( -0.058 5.390 -4.011) 6.719 2.581 ( -2.049 7.476 -1.109) 7.830 2.844 ( 0.893 9.055 5.899) 10.844 2.873 ( -0.229 5.533 4.609) 7.205 2.981 ( 1.483 0.915 1.182) 2.106 3.046 ( -0.753 2.054 1.539) 2.675 3.167 ( 1.830 5.439 3.142) 6.542 3.300 ( -2.313 4.597 1.800) 5.451 3.420 ( 1.045 5.135 0.029) 5.240 3.549 ( 0.173 5.160 -0.146) 5.165 3.745 ( 1.302 4.527 0.667) 4.758 3.872 ( -2.175 2.453 1.533) 3.619 4.024 ( 1.321 -3.634 -0.621) 3.916 4.075 ( -0.631 -3.304 -5.742) 6.654 6.490 ( 0.883 2.314 1.072) 2.698 6.553 ( -1.951 2.237 0.779) 3.069 6.790 ( 0.247 -2.242 -4.420) 4.963 6.811 ( -0.233 -0.980 -3.370) 3.517 6.940 ( 3.989 0.300 0.707) 4.062 7.112 ( -4.121 0.077 0.633) 4.170 7.277 ( 3.301 -0.923 -0.244) 3.436 7.395 ( -1.291 -0.916 -1.890) 2.466 7.406 ( -0.008 3.905 0.551) 3.944 7.472 ( -1.845 5.607 -1.687) 6.140 7.696 ( 1.033 11.078 -0.670) 11.146 7.729 ( -0.003 7.601 -0.043) 7.601 7.870 ( 2.456 4.388 1.064) 5.140 7.995 ( -3.084 5.500 1.133) 6.407 8.136 ( 5.120 10.954 1.009) 12.133 8.402 ( -7.232 15.578 -3.831) 17.597 8.706 ( 3.648 16.100 -2.230) 16.658 8.814 ( -1.632 11.108 -4.537) 12.109 9.405 ( -0.028 -4.088 -3.225) 5.207 9.409 ( -0.159 -4.508 -3.246) 5.557 10.072 ( 0.505 -3.367 3.999) 5.252 10.106 ( -0.842 -3.803 3.842) 5.471 10.321 ( 2.781 -5.796 -3.223) 7.191 10.421 ( -1.474 -7.619 -4.572) 9.007 ======================= Grid point 147 (54/105) ======================= q-point: (-0.50 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -5.359 11.151 4.169) 13.056 1.458 ( 5.359 11.151 4.169) 13.056 1.801 ( -9.250 5.623 8.532) 13.783 1.801 ( 9.250 5.623 8.532) 13.783 1.999 ( -4.775 4.076 -3.776) 7.326 1.999 ( 4.775 4.076 -3.776) 7.326 2.399 ( -3.497 -0.453 -4.257) 5.527 2.399 ( 3.497 -0.453 -4.257) 5.527 2.502 ( -2.449 1.671 0.252) 2.975 2.502 ( 2.449 1.671 0.252) 2.975 2.554 ( -0.671 7.502 -3.417) 8.271 2.554 ( 0.671 7.502 -3.417) 8.271 2.862 ( -0.846 6.496 5.001) 8.242 2.862 ( 0.846 6.496 5.001) 8.242 3.018 ( -2.018 1.810 1.996) 3.367 3.018 ( 2.018 1.810 1.996) 3.367 3.225 ( -4.131 4.470 2.386) 6.537 3.225 ( 4.131 4.470 2.386) 6.537 3.492 ( -4.728 9.182 -0.281) 10.332 3.492 ( 4.728 9.182 -0.281) 10.332 3.807 ( -4.164 -1.537 1.253) 4.612 3.807 ( 4.164 -1.537 1.253) 4.612 4.054 ( -1.516 -1.570 -3.196) 3.870 4.054 ( 1.516 -1.570 -3.196) 3.870 6.515 ( -1.775 2.236 0.903) 2.994 6.515 ( 1.775 2.236 0.903) 2.994 6.801 ( -0.735 -1.575 -3.866) 4.239 6.801 ( 0.735 -1.575 -3.866) 4.239 7.027 ( -4.724 0.208 0.372) 4.743 7.027 ( 4.724 0.208 0.372) 4.743 7.341 ( -3.286 -1.267 0.775) 3.606 7.341 ( 3.286 -1.267 0.775) 3.606 7.434 ( -1.980 5.524 -2.106) 6.235 7.434 ( 1.980 5.524 -2.106) 6.235 7.718 ( -1.044 8.034 -0.741) 8.135 7.718 ( 1.044 8.034 -0.741) 8.135 7.931 ( -3.550 5.766 1.626) 6.964 7.931 ( 3.550 5.766 1.626) 6.964 8.257 ( -7.331 13.728 -0.914) 15.589 8.257 ( 7.331 13.728 -0.914) 15.589 8.770 ( -2.935 13.424 -3.785) 14.253 8.770 ( 2.935 13.424 -3.785) 14.253 9.406 ( -0.158 -4.383 -3.185) 5.420 9.406 ( 0.158 -4.383 -3.185) 5.420 10.087 ( -0.975 -3.522 3.946) 5.378 10.087 ( 0.975 -3.522 3.946) 5.378 10.379 ( -2.849 -6.849 -4.190) 8.520 10.379 ( 2.849 -6.849 -4.190) 8.520 ======================= Grid point 150 (55/105) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.000 11.739 1.769) 11.872 1.718 ( 0.000 7.628 6.572) 10.069 1.848 ( 0.000 4.403 -0.671) 4.454 1.877 ( 0.000 8.223 -1.395) 8.340 2.141 ( 0.000 5.704 -0.426) 5.720 2.196 ( 0.000 3.425 -2.727) 4.378 2.322 ( 0.000 -2.863 3.370) 4.422 2.322 ( 0.000 -3.884 0.082) 3.885 2.478 ( 0.000 -1.204 -0.653) 1.370 2.579 ( 0.000 0.391 -6.766) 6.777 2.626 ( 0.000 1.239 1.742) 2.138 2.673 ( 0.000 1.830 -1.523) 2.381 2.940 ( 0.000 -0.514 -1.555) 1.638 2.941 ( 0.000 2.095 2.190) 3.031 2.979 ( 0.000 2.756 1.715) 3.246 3.094 ( 0.000 0.922 2.244) 2.426 3.231 ( 0.000 0.909 -1.188) 1.496 3.380 ( 0.000 -4.089 0.752) 4.158 3.487 ( 0.000 7.429 -2.917) 7.981 3.655 ( 0.000 12.074 4.574) 12.912 3.797 ( 0.000 -6.039 -2.081) 6.388 3.936 ( 0.000 0.117 -3.407) 3.409 4.085 ( 0.000 12.537 2.280) 12.743 4.141 ( 0.000 10.267 2.508) 10.569 6.527 ( 0.000 2.099 1.516) 2.589 6.631 ( 0.000 3.153 -0.468) 3.188 6.728 ( 0.000 -3.122 -4.359) 5.362 6.804 ( 0.000 -0.505 -4.159) 4.190 6.920 ( 0.000 2.256 0.285) 2.274 7.164 ( 0.000 -0.345 2.321) 2.346 7.210 ( 0.000 -1.218 -2.377) 2.671 7.351 ( 0.000 -3.979 -0.258) 3.987 7.491 ( 0.000 4.892 -1.723) 5.187 7.584 ( 0.000 4.306 -2.408) 4.933 7.857 ( 0.000 4.870 1.540) 5.108 7.871 ( 0.000 2.177 0.107) 2.180 7.961 ( 0.000 10.914 -2.397) 11.174 8.064 ( 0.000 2.684 -4.605) 5.330 8.327 ( 0.000 10.648 6.098) 12.271 8.699 ( 0.000 5.572 -2.502) 6.108 8.967 ( 0.000 11.978 -1.264) 12.045 9.008 ( 0.000 7.076 -3.389) 7.846 9.339 ( 0.000 -2.139 -1.570) 2.653 9.350 ( 0.000 -1.504 -2.547) 2.958 10.005 ( 0.000 -2.692 2.599) 3.742 10.067 ( 0.000 -1.036 3.207) 3.370 10.184 ( 0.000 -5.389 -2.009) 5.751 10.297 ( 0.000 -5.896 -2.589) 6.439 ======================= Grid point 151 (56/105) ======================= q-point: ( 0.25 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.715 11.744 1.730) 11.893 1.722 ( -1.492 6.630 2.560) 7.262 1.818 ( 1.840 9.005 4.846) 10.390 1.949 ( 3.682 3.661 -2.165) 5.626 2.075 ( -5.238 4.887 3.199) 7.846 2.152 ( -3.898 2.355 -2.362) 5.131 2.323 ( 2.128 -1.535 -3.598) 4.453 2.378 ( 1.912 -2.414 0.179) 3.085 2.473 ( 0.131 -0.881 -0.550) 1.047 2.554 ( -2.259 -0.032 -4.353) 4.904 2.637 ( 0.938 1.720 0.800) 2.116 2.670 ( -0.399 2.067 -1.449) 2.556 2.945 ( 0.380 2.263 2.217) 3.190 2.953 ( 0.531 1.468 0.983) 1.845 2.994 ( 1.951 1.031 0.386) 2.240 3.081 ( -1.353 0.867 1.923) 2.506 3.247 ( 1.744 1.220 -0.763) 2.261 3.365 ( -2.601 -0.821 1.541) 3.133 3.477 ( 1.492 2.942 -4.545) 5.616 3.656 ( -3.783 0.373 1.092) 3.955 3.790 ( 3.787 6.047 -0.383) 7.145 3.979 ( 0.496 2.530 0.134) 2.582 4.057 ( -0.452 11.346 1.426) 11.444 4.138 ( -0.829 8.713 1.730) 8.922 6.536 ( 1.037 2.285 1.229) 2.794 6.607 ( -2.127 3.043 -0.095) 3.714 6.739 ( 1.169 -2.651 -4.183) 5.088 6.795 ( -1.010 -0.866 -4.148) 4.356 6.959 ( 3.511 1.735 -0.062) 3.917 7.113 ( -3.802 0.087 0.379) 3.822 7.250 ( 2.646 -1.825 -0.387) 3.238 7.337 ( -1.433 -3.704 0.294) 3.982 7.502 ( 1.281 5.134 -2.404) 5.812 7.573 ( -1.245 4.782 -2.472) 5.525 7.843 ( -0.722 4.028 0.087) 4.093 7.860 ( -1.204 3.069 0.379) 3.318 7.989 ( 2.684 9.017 -1.742) 9.568 8.068 ( -0.236 4.613 -2.797) 5.400 8.372 ( 4.745 10.037 4.480) 11.972 8.635 ( -6.082 7.136 -1.014) 9.431 8.978 ( 0.934 10.511 -2.088) 10.757 9.006 ( -0.257 7.461 -3.249) 8.142 9.334 ( -0.244 -2.754 -1.955) 3.386 9.347 ( -0.443 -1.501 -2.315) 2.795 10.013 ( 0.806 -2.405 2.723) 3.721 10.056 ( -0.987 -1.270 3.120) 3.511 10.209 ( 2.256 -5.358 -2.162) 6.202 10.287 ( -1.112 -5.801 -2.580) 6.445 ======================= Grid point 152 (57/105) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -2.498 10.158 1.294) 10.541 1.673 ( 2.498 10.158 1.294) 10.541 1.911 ( -6.245 5.697 6.119) 10.436 1.911 ( 6.245 5.697 6.119) 10.436 2.071 ( -4.113 2.693 -2.647) 5.584 2.071 ( 4.113 2.693 -2.647) 5.584 2.370 ( -2.164 -1.351 -4.121) 4.847 2.370 ( 2.164 -1.351 -4.121) 4.847 2.504 ( -2.648 -0.485 -0.952) 2.856 2.504 ( 2.648 -0.485 -0.952) 2.856 2.656 ( -0.977 2.176 -0.491) 2.435 2.656 ( 0.977 2.176 -0.491) 2.435 2.953 ( -0.347 2.462 2.178) 3.306 2.953 ( 0.347 2.462 2.178) 3.306 3.043 ( -2.550 0.549 0.985) 2.788 3.043 ( 2.550 0.549 0.985) 2.788 3.298 ( -3.476 1.713 0.189) 3.880 3.298 ( 3.476 1.713 0.189) 3.880 3.552 ( -5.541 -2.640 -3.429) 7.031 3.552 ( 5.541 -2.640 -3.429) 7.031 3.902 ( -6.229 10.034 2.567) 12.086 3.902 ( 6.229 10.034 2.567) 12.086 4.102 ( -2.868 6.633 0.639) 7.255 4.102 ( 2.868 6.633 0.639) 7.255 6.566 ( -1.974 2.691 0.587) 3.388 6.566 ( 1.974 2.691 0.587) 3.388 6.768 ( -1.663 -1.716 -4.092) 4.739 6.768 ( 1.663 -1.716 -4.092) 4.739 7.035 ( -4.190 0.814 -0.215) 4.274 7.035 ( 4.190 0.814 -0.215) 4.274 7.299 ( -2.410 -2.802 0.376) 3.715 7.299 ( 2.410 -2.802 0.376) 3.715 7.538 ( -2.203 5.249 -2.666) 6.286 7.538 ( 2.203 5.249 -2.666) 6.286 7.841 ( -0.505 3.363 -0.254) 3.410 7.841 ( 0.505 3.363 -0.254) 3.410 8.042 ( -2.388 7.018 -1.203) 7.510 8.042 ( 2.388 7.018 -1.203) 7.510 8.497 ( -7.653 8.914 1.599) 11.857 8.497 ( 7.653 8.914 1.599) 11.857 8.996 ( -0.817 8.629 -2.908) 9.142 8.996 ( 0.817 8.629 -2.908) 9.142 9.336 ( -0.485 -2.433 -2.208) 3.321 9.336 ( 0.485 -2.433 -2.208) 3.321 10.034 ( -1.274 -1.773 2.952) 3.672 10.034 ( 1.274 -1.773 2.952) 3.672 10.255 ( -2.193 -5.552 -2.455) 6.455 10.255 ( 2.193 -5.552 -2.455) 6.455 ======================= Grid point 155 (58/105) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.000 9.023 -2.012) 9.244 1.859 ( 0.000 6.704 0.545) 6.726 1.947 ( 0.000 5.237 0.258) 5.243 2.035 ( 0.000 6.485 0.195) 6.488 2.212 ( 0.000 0.726 0.196) 0.752 2.223 ( 0.000 -1.552 -1.305) 2.028 2.258 ( 0.000 -1.489 -0.781) 1.681 2.273 ( 0.000 -0.615 3.131) 3.191 2.454 ( 0.000 -1.236 -0.338) 1.282 2.587 ( 0.000 0.975 -4.364) 4.471 2.615 ( 0.000 -2.181 1.829) 2.847 2.675 ( 0.000 -1.289 0.141) 1.297 2.929 ( 0.000 -0.124 -3.622) 3.624 2.963 ( 0.000 0.319 1.317) 1.356 3.020 ( 0.000 1.458 1.231) 1.908 3.093 ( 0.000 -0.710 1.763) 1.901 3.226 ( 0.000 -0.193 -3.385) 3.390 3.315 ( 0.000 -2.291 -0.367) 2.320 3.521 ( 0.000 -2.769 -5.627) 6.271 3.616 ( 0.000 -7.584 0.158) 7.586 3.954 ( 0.000 12.496 2.756) 12.796 4.029 ( 0.000 7.775 0.049) 7.775 4.317 ( 0.000 9.790 1.715) 9.939 4.345 ( 0.000 8.878 2.858) 9.327 6.564 ( 0.000 1.651 1.160) 2.018 6.670 ( 0.000 -2.375 -2.526) 3.467 6.696 ( 0.000 2.907 -1.875) 3.459 6.793 ( 0.000 -0.598 -4.352) 4.393 6.982 ( 0.000 3.727 -1.088) 3.882 7.156 ( 0.000 -0.374 1.879) 1.916 7.182 ( 0.000 -1.618 -2.041) 2.604 7.264 ( 0.000 -4.513 -0.208) 4.518 7.590 ( 0.000 4.794 -2.996) 5.653 7.661 ( 0.000 3.234 -2.819) 4.290 7.887 ( 0.000 0.038 -2.789) 2.789 7.894 ( 0.000 -0.386 -2.403) 2.434 8.175 ( 0.000 7.546 -1.753) 7.747 8.176 ( 0.000 10.227 -1.165) 10.293 8.473 ( 0.000 4.030 4.541) 6.072 8.717 ( 0.000 -3.137 -0.500) 3.177 9.104 ( 0.000 2.794 -1.485) 3.164 9.106 ( 0.000 2.427 -2.171) 3.257 9.341 ( 0.000 2.144 0.791) 2.286 9.348 ( 0.000 0.899 -1.116) 1.433 9.969 ( 0.000 -0.888 1.272) 1.552 10.064 ( 0.000 0.620 2.104) 2.194 10.082 ( 0.000 -4.748 -1.357) 4.938 10.199 ( 0.000 -4.020 -1.258) 4.212 ======================= Grid point 156 (59/105) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.110 8.556 -1.570) 8.699 1.859 ( -0.136 6.988 -0.098) 6.990 1.966 ( 2.123 5.670 1.814) 6.321 2.048 ( 1.253 5.354 -0.512) 5.522 2.133 ( -5.123 1.527 4.295) 6.857 2.162 ( -4.215 -0.805 -2.071) 4.765 2.295 ( 3.317 -1.812 -2.658) 4.621 2.349 ( 2.627 -0.766 -1.487) 3.114 2.457 ( 0.958 -0.535 0.782) 1.347 2.557 ( -2.440 0.747 -2.565) 3.618 2.631 ( 1.195 -1.831 1.071) 2.435 2.672 ( -0.459 -1.579 0.247) 1.663 2.956 ( 2.173 -0.120 -2.265) 3.141 2.974 ( 1.118 0.688 1.097) 1.710 3.016 ( -0.238 0.918 1.106) 1.457 3.080 ( -1.460 -0.754 1.380) 2.146 3.246 ( 2.105 -0.211 -2.798) 3.507 3.320 ( 0.215 -2.085 -0.195) 2.105 3.480 ( -3.064 -2.838 -5.731) 7.091 3.551 ( -5.377 -6.640 -1.406) 8.660 4.018 ( 5.695 11.884 2.742) 13.461 4.092 ( 5.003 7.806 0.956) 9.321 4.282 ( -3.160 9.670 2.019) 10.371 4.322 ( -2.518 8.224 2.297) 8.903 6.579 ( 1.513 1.930 0.809) 2.583 6.669 ( -2.385 2.987 -1.046) 3.963 6.689 ( 1.839 -2.271 -2.897) 4.116 6.777 ( -1.651 -0.916 -4.075) 4.491 7.008 ( 2.382 3.027 -1.227) 4.043 7.118 ( -2.835 0.517 0.127) 2.885 7.206 ( 1.554 -2.511 -0.519) 2.998 7.257 ( -0.799 -4.200 -0.202) 4.280 7.606 ( 1.614 5.077 -3.326) 6.280 7.663 ( -0.141 4.102 -3.160) 5.180 7.872 ( -1.380 -0.472 -2.412) 2.819 7.875 ( -1.317 -0.619 -2.333) 2.749 8.181 ( 1.474 9.314 -0.927) 9.476 8.208 ( 1.441 8.828 -1.293) 9.038 8.502 ( 3.204 2.936 3.639) 5.668 8.681 ( -3.605 -2.012 0.042) 4.128 9.103 ( 0.405 2.703 -1.489) 3.112 9.120 ( 0.622 4.222 -1.788) 4.627 9.302 ( -1.811 -0.502 -0.156) 1.886 9.344 ( -1.641 0.597 -0.805) 1.923 9.984 ( 1.468 -0.475 1.448) 2.116 10.049 ( -1.243 0.378 1.752) 2.181 10.112 ( 2.450 -4.269 -1.088) 5.041 10.190 ( -1.054 -4.046 -1.258) 4.366 ======================= Grid point 157 (60/105) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -0.370 7.781 -0.878) 7.839 1.854 ( 0.370 7.781 -0.878) 7.839 2.028 ( -4.144 5.788 3.871) 8.103 2.028 ( 4.144 5.788 3.871) 8.103 2.096 ( -2.542 0.150 -1.669) 3.044 2.096 ( 2.542 0.150 -1.669) 3.044 2.348 ( -2.011 -1.416 -3.293) 4.110 2.348 ( 2.011 -1.416 -3.293) 4.110 2.502 ( -3.121 0.699 -0.404) 3.224 2.502 ( 3.121 0.699 -0.404) 3.224 2.655 ( -1.212 -1.902 0.879) 2.421 2.655 ( 1.212 -1.902 0.879) 2.421 2.984 ( -0.766 1.098 0.534) 1.441 2.984 ( 0.766 1.098 0.534) 1.441 3.038 ( -2.593 -0.790 0.460) 2.749 3.038 ( 2.593 -0.790 0.460) 2.749 3.298 ( -2.711 -0.640 -1.136) 3.009 3.298 ( 2.711 -0.640 -1.136) 3.009 3.466 ( -2.429 -5.098 -4.331) 7.117 3.466 ( 2.429 -5.098 -4.331) 7.117 4.124 ( -3.756 11.033 2.608) 11.943 4.124 ( 3.756 11.033 2.608) 11.943 4.260 ( -2.709 7.438 1.639) 8.084 4.260 ( 2.709 7.438 1.639) 8.084 6.618 ( -2.551 2.545 -0.058) 3.604 6.618 ( 2.551 2.545 -0.058) 3.604 6.734 ( -2.587 -1.638 -3.378) 4.559 6.734 ( 2.587 -1.638 -3.378) 4.559 7.061 ( -3.028 1.752 -0.874) 3.606 7.061 ( 3.028 1.752 -0.874) 3.606 7.235 ( -1.404 -3.490 -0.205) 3.768 7.235 ( 1.404 -3.490 -0.205) 3.768 7.643 ( -1.909 5.235 -3.592) 6.629 7.643 ( 1.909 5.235 -3.592) 6.629 7.858 ( -0.241 -1.005 -2.136) 2.373 7.858 ( 0.241 -1.005 -2.136) 2.373 8.211 ( -1.111 9.255 -0.667) 9.345 8.211 ( 1.111 9.255 -0.667) 9.345 8.590 ( -5.416 0.523 1.588) 5.668 8.590 ( 5.416 0.523 1.588) 5.668 9.117 ( -0.820 4.322 -1.340) 4.599 9.117 ( 0.820 4.322 -1.340) 4.599 9.303 ( -1.822 -1.440 -0.906) 2.492 9.303 ( 1.822 -1.440 -0.906) 2.492 10.018 ( -1.894 0.212 1.681) 2.541 10.018 ( 1.894 0.212 1.681) 2.541 10.159 ( -2.160 -4.134 -1.219) 4.821 10.159 ( 2.160 -4.134 -1.219) 4.821 ======================= Grid point 160 (61/105) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 0.000 5.406 -1.333) 5.567 1.993 ( 0.000 5.658 -2.521) 6.194 2.030 ( 0.000 1.913 -0.387) 1.952 2.075 ( 0.000 -2.191 -0.898) 2.368 2.169 ( 0.000 -2.238 0.014) 2.238 2.182 ( 0.000 -2.412 0.184) 2.419 2.289 ( 0.000 1.482 1.515) 2.119 2.292 ( 0.000 2.468 -0.690) 2.562 2.444 ( 0.000 1.662 2.101) 2.679 2.534 ( 0.000 -5.556 1.752) 5.825 2.618 ( 0.000 1.763 -2.605) 3.146 2.647 ( 0.000 -1.280 -0.773) 1.495 2.937 ( 0.000 0.830 -2.118) 2.275 2.956 ( 0.000 -0.873 -0.142) 0.885 3.046 ( 0.000 1.299 0.844) 1.549 3.072 ( 0.000 -1.267 1.132) 1.699 3.245 ( 0.000 1.945 -3.429) 3.942 3.282 ( 0.000 -1.466 -1.962) 2.450 3.462 ( 0.000 -1.563 -3.923) 4.223 3.492 ( 0.000 -4.400 -1.434) 4.628 4.137 ( 0.000 5.265 2.079) 5.661 4.154 ( 0.000 3.396 1.132) 3.580 4.456 ( 0.000 3.871 1.975) 4.345 4.466 ( 0.000 2.914 2.428) 3.793 6.594 ( 0.000 1.494 0.253) 1.515 6.627 ( 0.000 -1.847 -1.082) 2.141 6.748 ( 0.000 2.113 -2.919) 3.603 6.778 ( 0.000 -0.985 -3.936) 4.057 7.063 ( 0.000 4.286 -1.510) 4.544 7.141 ( 0.000 -2.987 -1.343) 3.275 7.155 ( 0.000 0.420 0.835) 0.934 7.183 ( 0.000 -2.944 -0.396) 2.971 7.671 ( 0.000 3.059 -3.064) 4.330 7.700 ( 0.000 0.336 -2.646) 2.668 7.880 ( 0.000 -0.471 -4.915) 4.937 7.881 ( 0.000 -0.438 -4.549) 4.570 8.319 ( 0.000 5.933 -0.392) 5.946 8.345 ( 0.000 5.130 -0.764) 5.187 8.511 ( 0.000 1.573 2.015) 2.556 8.609 ( 0.000 -6.732 0.047) 6.732 9.123 ( 0.000 0.364 -0.435) 0.567 9.129 ( 0.000 0.057 -0.026) 0.063 9.372 ( 0.000 1.192 0.042) 1.192 9.379 ( 0.000 0.825 0.686) 1.074 9.968 ( 0.000 0.790 0.361) 0.869 10.004 ( 0.000 -2.883 -0.493) 2.925 10.088 ( 0.000 1.748 0.748) 1.901 10.133 ( 0.000 -2.753 -0.321) 2.772 ======================= Grid point 161 (62/105) ======================= q-point: ( 0.25 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -0.243 5.108 -1.461) 5.319 1.985 ( -0.605 5.059 -1.966) 5.461 2.036 ( 0.586 0.267 -0.089) 0.650 2.067 ( -0.715 -2.731 -1.064) 3.017 2.152 ( -0.009 2.450 0.629) 2.529 2.223 ( -0.647 1.991 0.752) 2.224 2.238 ( 0.583 -0.447 0.129) 0.746 2.320 ( -0.175 -2.877 -1.158) 3.106 2.472 ( 2.926 2.658 1.792) 4.340 2.550 ( 1.372 -3.783 1.117) 4.176 2.600 ( -1.644 1.067 -1.888) 2.722 2.634 ( -1.413 -1.850 -0.400) 2.362 2.960 ( 2.172 0.567 -1.539) 2.722 2.974 ( 1.715 -0.571 0.084) 1.810 3.036 ( -1.092 1.121 0.740) 1.731 3.059 ( -1.411 -1.183 0.916) 2.057 3.262 ( 1.818 1.759 -3.335) 4.186 3.294 ( 1.190 -1.002 -1.966) 2.507 3.418 ( -3.879 -1.948 -4.070) 5.950 3.440 ( -4.446 -3.941 -1.990) 6.266 4.196 ( 5.465 5.306 2.125) 7.908 4.216 ( 5.559 3.270 1.391) 6.598 4.419 ( -3.682 3.889 2.090) 5.749 4.433 ( -3.402 2.572 2.199) 4.798 6.614 ( 2.001 1.688 -0.089) 2.619 6.648 ( 2.169 -1.824 -1.364) 3.146 6.722 ( -2.532 2.223 -2.235) 4.043 6.756 ( -2.233 -1.281 -3.373) 4.243 7.075 ( 1.225 3.710 -1.537) 4.198 7.136 ( -1.377 1.312 -0.407) 1.945 7.149 ( 0.549 -3.268 -0.603) 3.368 7.180 ( -0.475 -3.112 -0.594) 3.204 7.694 ( 2.289 3.470 -3.397) 5.368 7.722 ( 1.956 1.147 -3.021) 3.777 7.849 ( -2.723 -0.825 -4.447) 5.279 7.857 ( -2.277 -1.143 -4.199) 4.911 8.346 ( 2.447 6.842 -0.180) 7.269 8.377 ( 2.450 6.290 -0.780) 6.795 8.507 ( -0.050 -0.830 1.753) 1.941 8.588 ( -2.169 -6.474 0.104) 6.828 9.140 ( 2.031 1.496 -0.055) 2.523 9.160 ( 2.851 -0.029 -0.310) 2.867 9.313 ( -4.723 1.500 0.447) 4.976 9.343 ( -3.936 -0.990 0.079) 4.059 9.993 ( 2.285 1.323 0.452) 2.679 10.034 ( 2.558 -2.675 -0.475) 3.731 10.077 ( -1.116 1.525 0.722) 2.023 10.122 ( -1.169 -2.825 -0.335) 3.076 ======================= Grid point 162 (63/105) ======================= q-point: (-0.50 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -0.090 4.811 -1.411) 5.014 1.978 ( 0.090 4.811 -1.411) 5.014 2.051 ( -0.896 -2.527 -0.643) 2.757 2.051 ( 0.896 -2.527 -0.643) 2.757 2.174 ( -2.193 6.539 1.143) 6.990 2.174 ( 2.193 6.539 1.143) 6.990 2.290 ( -2.552 -4.613 -0.953) 5.358 2.290 ( 2.552 -4.613 -0.953) 5.358 2.537 ( -3.193 2.659 -0.298) 4.166 2.537 ( 3.193 2.659 -0.298) 4.166 2.599 ( -1.898 -3.288 0.368) 3.815 2.599 ( 1.898 -3.288 0.368) 3.815 3.003 ( -1.638 0.857 0.061) 1.850 3.003 ( 1.638 0.857 0.061) 1.850 3.020 ( -2.179 -0.919 0.314) 2.386 3.020 ( 2.179 -0.919 0.314) 2.386 3.306 ( -1.721 1.821 -2.416) 3.481 3.306 ( 1.721 1.821 -2.416) 3.481 3.369 ( -1.321 -4.281 -3.590) 5.741 3.369 ( 1.321 -4.281 -3.590) 5.741 4.302 ( -2.445 6.137 2.126) 6.940 4.302 ( 2.445 6.137 2.126) 6.940 4.352 ( -2.256 1.242 1.866) 3.180 4.352 ( 2.256 1.242 1.866) 3.180 6.665 ( -3.094 2.083 -1.017) 3.866 6.665 ( 3.094 2.083 -1.017) 3.866 6.702 ( -3.143 -1.681 -2.220) 4.199 6.702 ( 3.143 -1.681 -2.220) 4.199 7.105 ( -1.722 2.652 -1.101) 3.348 7.105 ( 1.722 2.652 -1.101) 3.348 7.165 ( -0.949 -3.379 -0.808) 3.601 7.165 ( 0.949 -3.379 -0.808) 3.601 7.741 ( -1.429 4.430 -3.983) 6.126 7.741 ( 1.429 4.430 -3.983) 6.126 7.816 ( -0.823 -3.034 -3.519) 4.719 7.816 ( 0.823 -3.034 -3.519) 4.719 8.391 ( -1.483 8.439 -0.120) 8.569 8.391 ( 1.483 8.439 -0.120) 8.569 8.534 ( -2.900 -5.554 0.585) 6.293 8.534 ( 2.900 -5.554 0.585) 6.293 9.194 ( -2.423 3.671 0.027) 4.398 9.194 ( 2.423 3.671 0.027) 4.398 9.261 ( -2.815 -2.862 0.008) 4.014 9.261 ( 2.815 -2.862 0.008) 4.014 10.040 ( -2.246 1.840 0.531) 2.951 10.040 ( 2.246 1.840 0.531) 2.951 10.088 ( -2.291 -2.993 -0.325) 3.783 10.088 ( 2.291 -2.993 -0.325) 3.783 ======================= Grid point 195 (64/105) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.000 0.000 10.734) 10.734 1.185 ( 0.000 0.000 1.943) 1.943 1.286 ( 0.000 0.000 3.349) 3.349 1.506 ( 0.000 0.000 13.537) 13.537 1.781 ( 0.000 0.000 -2.194) 2.194 1.973 ( 0.000 0.000 0.497) 0.497 1.982 ( 0.000 0.000 4.757) 4.757 2.016 ( 0.000 0.000 -1.666) 1.666 2.143 ( 0.000 0.000 -8.714) 8.714 2.330 ( 0.000 0.000 -2.708) 2.708 2.332 ( 0.000 0.000 -2.787) 2.787 2.545 ( 0.000 0.000 4.621) 4.621 2.721 ( 0.000 0.000 10.279) 10.279 2.815 ( 0.000 0.000 2.199) 2.199 2.921 ( 0.000 0.000 4.801) 4.801 2.938 ( 0.000 0.000 1.813) 1.813 2.948 ( 0.000 0.000 1.373) 1.373 3.276 ( 0.000 0.000 3.131) 3.131 3.325 ( 0.000 0.000 1.645) 1.645 3.596 ( 0.000 0.000 4.479) 4.479 3.654 ( 0.000 0.000 5.852) 5.852 3.799 ( 0.000 0.000 -8.081) 8.081 4.066 ( 0.000 0.000 -10.208) 10.208 4.198 ( 0.000 0.000 -5.363) 5.363 6.448 ( 0.000 0.000 -0.020) 0.020 6.569 ( 0.000 0.000 -2.358) 2.358 6.619 ( 0.000 0.000 8.159) 8.159 6.733 ( 0.000 0.000 4.223) 4.223 6.871 ( 0.000 0.000 0.249) 0.249 6.970 ( 0.000 0.000 -2.493) 2.493 6.983 ( 0.000 0.000 -0.388) 0.388 7.060 ( 0.000 0.000 -5.057) 5.057 7.258 ( 0.000 0.000 -3.804) 3.804 7.284 ( 0.000 0.000 -4.574) 4.574 7.285 ( 0.000 0.000 -0.833) 0.833 7.292 ( 0.000 0.000 -0.586) 0.586 7.594 ( 0.000 0.000 0.980) 0.980 7.609 ( 0.000 0.000 0.541) 0.541 8.000 ( 0.000 0.000 1.815) 1.815 8.002 ( 0.000 0.000 1.811) 1.811 8.020 ( 0.000 0.000 7.586) 7.586 8.322 ( 0.000 0.000 -8.497) 8.497 9.523 ( 0.000 0.000 -1.709) 1.709 9.569 ( 0.000 0.000 -3.171) 3.171 10.332 ( 0.000 0.000 2.364) 2.364 10.403 ( 0.000 0.000 1.166) 1.166 10.418 ( 0.000 0.000 -3.010) 3.010 10.602 ( 0.000 0.000 -8.800) 8.800 ======================= Grid point 196 (65/105) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 2.586 0.000 9.370) 9.720 1.160 ( -2.486 0.000 3.190) 4.045 1.311 ( 2.939 0.000 6.726) 7.340 1.497 ( -1.950 0.000 18.504) 18.607 1.712 ( -4.082 0.000 -7.232) 8.305 1.866 ( -8.163 0.000 -0.903) 8.213 1.980 ( 0.707 0.000 0.095) 0.713 2.011 ( -0.553 0.000 -1.419) 1.523 2.271 ( 9.290 0.000 -5.935) 11.023 2.330 ( 0.030 0.000 -2.715) 2.715 2.331 ( -0.030 0.000 -2.771) 2.772 2.561 ( -1.620 0.000 -9.522) 9.658 2.715 ( 1.139 0.000 17.702) 17.739 2.799 ( -1.193 0.000 3.299) 3.508 2.940 ( 0.131 0.000 1.747) 1.752 2.946 ( -0.147 0.000 1.436) 1.443 2.992 ( 7.024 0.000 9.728) 11.999 3.285 ( 0.474 0.000 2.660) 2.702 3.321 ( -0.668 0.000 2.904) 2.980 3.404 ( -11.071 0.000 9.242) 14.422 3.789 ( 6.562 0.000 -2.356) 6.972 3.896 ( 8.714 0.000 -6.146) 10.663 4.024 ( -4.270 0.000 -9.308) 10.240 4.163 ( -3.679 0.000 -5.382) 6.519 6.458 ( 1.093 0.000 -0.125) 1.100 6.542 ( -2.518 0.000 -1.556) 2.960 6.633 ( 1.445 0.000 7.754) 7.887 6.713 ( -1.925 0.000 5.078) 5.431 6.882 ( 1.268 0.000 -0.913) 1.562 6.957 ( -1.512 0.000 -2.976) 3.338 6.998 ( 1.383 0.000 -1.327) 1.917 7.051 ( -0.895 0.000 -4.514) 4.602 7.262 ( 0.354 0.000 -3.946) 3.962 7.280 ( -0.382 0.000 -4.490) 4.506 7.282 ( 1.756 0.000 1.563) 2.351 7.342 ( 2.303 0.000 -0.223) 2.314 7.558 ( -3.245 0.000 1.695) 3.660 7.579 ( -1.951 0.000 0.439) 1.999 8.001 ( 0.043 0.000 1.819) 1.819 8.002 ( -0.025 0.000 1.813) 1.814 8.088 ( 5.930 0.000 3.706) 6.993 8.291 ( -3.162 0.000 -6.693) 7.403 9.533 ( 0.938 0.000 -1.836) 2.062 9.565 ( -0.406 0.000 -2.838) 2.867 10.333 ( 0.349 0.000 2.219) 2.247 10.384 ( -1.655 0.000 0.428) 1.709 10.454 ( 3.127 0.000 -3.433) 4.643 10.580 ( -2.271 0.000 -8.175) 8.484 ======================= Grid point 197 (66/105) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -3.564 0.000 6.222) 7.170 1.099 ( 3.564 0.000 6.222) 7.170 1.403 ( -6.310 0.000 14.869) 16.153 1.403 ( 6.310 0.000 14.869) 16.153 1.728 ( -5.291 0.000 -6.019) 8.013 1.728 ( 5.291 0.000 -6.019) 8.013 1.996 ( -0.881 0.000 -0.737) 1.149 1.996 ( 0.881 0.000 -0.737) 1.149 2.331 ( -0.043 0.000 -2.739) 2.739 2.331 ( 0.043 0.000 -2.739) 2.739 2.447 ( -8.647 0.000 -9.183) 12.614 2.447 ( 8.647 0.000 -9.183) 12.614 2.766 ( -2.603 0.000 9.731) 10.073 2.766 ( 2.603 0.000 9.731) 10.073 2.943 ( -0.197 0.000 1.590) 1.602 2.943 ( 0.197 0.000 1.590) 1.602 3.168 ( -10.685 0.000 12.151) 16.180 3.168 ( 10.685 0.000 12.151) 16.180 3.314 ( -0.950 0.000 3.288) 3.423 3.314 ( 0.950 0.000 3.288) 3.423 3.916 ( -6.572 0.000 -7.923) 10.294 3.916 ( 6.572 0.000 -7.923) 10.294 4.057 ( -7.290 0.000 -4.958) 8.816 4.057 ( 7.290 0.000 -4.958) 8.816 6.491 ( -2.379 0.000 -0.559) 2.444 6.491 ( 2.379 0.000 -0.559) 2.444 6.670 ( -2.290 0.000 6.610) 6.996 6.670 ( 2.290 0.000 6.610) 6.996 6.917 ( -2.266 0.000 -2.555) 3.415 6.917 ( 2.266 0.000 -2.555) 3.415 7.027 ( -1.526 0.000 -3.088) 3.445 7.027 ( 1.526 0.000 -3.088) 3.445 7.271 ( -0.526 0.000 -4.248) 4.280 7.271 ( 0.526 0.000 -4.248) 4.280 7.336 ( -2.842 0.000 2.627) 3.870 7.336 ( 2.842 0.000 2.627) 3.870 7.539 ( -1.500 0.000 0.254) 1.522 7.539 ( 1.500 0.000 0.254) 1.522 8.001 ( -0.050 0.000 1.820) 1.820 8.001 ( 0.050 0.000 1.820) 1.820 8.205 ( -5.693 0.000 -2.137) 6.081 8.205 ( 5.693 0.000 -2.137) 6.081 9.552 ( -0.926 0.000 -2.228) 2.413 9.552 ( 0.926 0.000 -2.228) 2.413 10.351 ( -1.539 0.000 1.368) 2.059 10.351 ( 1.539 0.000 1.368) 2.059 10.521 ( -3.608 0.000 -6.189) 7.163 10.521 ( 3.608 0.000 -6.189) 7.163 ======================= Grid point 200 (67/105) ======================= q-point: ( 0.00 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 0.000 18.603 9.616) 20.941 1.349 ( 0.000 7.790 2.043) 8.054 1.388 ( 0.000 11.914 6.111) 13.390 1.527 ( 0.000 7.368 6.924) 10.111 1.768 ( 0.000 0.096 -1.167) 1.171 1.962 ( 0.000 -0.131 -1.649) 1.654 1.993 ( 0.000 1.778 2.235) 2.856 2.168 ( 0.000 12.598 0.661) 12.615 2.193 ( 0.000 1.618 -5.192) 5.439 2.328 ( 0.000 2.572 -0.349) 2.596 2.356 ( 0.000 2.181 -2.820) 3.565 2.568 ( 0.000 0.385 -4.574) 4.590 2.734 ( 0.000 2.528 15.013) 15.225 2.821 ( 0.000 0.756 2.087) 2.220 2.936 ( 0.000 1.983 2.945) 3.550 2.955 ( 0.000 1.527 1.935) 2.465 3.003 ( 0.000 4.697 3.230) 5.700 3.272 ( 0.000 -0.228 3.223) 3.232 3.336 ( 0.000 1.283 0.629) 1.429 3.601 ( 0.000 0.720 5.006) 5.058 3.660 ( 0.000 0.274 5.617) 5.624 3.783 ( 0.000 -1.146 -6.779) 6.875 4.037 ( 0.000 -2.849 -10.423) 10.805 4.169 ( 0.000 -2.811 -5.359) 6.052 6.439 ( 0.000 0.161 1.673) 1.681 6.562 ( 0.000 -0.434 -1.569) 1.628 6.752 ( 0.000 9.283 4.698) 10.404 6.812 ( 0.000 -3.398 -1.877) 3.882 6.884 ( 0.000 -2.259 -1.690) 2.822 6.893 ( 0.000 14.504 2.486) 14.715 7.107 ( 0.000 5.284 1.915) 5.620 7.209 ( 0.000 8.450 -1.949) 8.672 7.239 ( 0.000 -0.569 -2.875) 2.930 7.280 ( 0.000 1.102 -2.519) 2.749 7.350 ( 0.000 7.531 -2.176) 7.839 7.397 ( 0.000 8.980 -3.277) 9.559 7.610 ( 0.000 2.346 1.644) 2.865 7.670 ( 0.000 7.574 -1.436) 7.709 7.938 ( 0.000 -2.642 3.667) 4.519 8.005 ( 0.000 0.177 0.243) 0.300 8.139 ( 0.000 8.397 4.864) 9.704 8.365 ( 0.000 4.594 -7.380) 8.693 9.494 ( 0.000 -2.812 -1.938) 3.415 9.532 ( 0.000 -3.513 -3.153) 4.721 10.298 ( 0.000 -3.214 2.395) 4.008 10.366 ( 0.000 -3.435 2.154) 4.055 10.393 ( 0.000 -2.480 -3.125) 3.990 10.561 ( 0.000 -3.902 -7.949) 8.855 ======================= Grid point 201 (68/105) ======================= q-point: ( 0.25 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 1.974 15.873 9.535) 18.622 1.328 ( -0.623 11.246 4.620) 12.174 1.419 ( 1.356 11.613 5.470) 12.909 1.503 ( -2.709 6.106 11.881) 13.630 1.718 ( -2.723 1.214 -4.983) 5.807 1.851 ( -6.752 0.734 -3.441) 7.614 2.064 ( 2.999 5.235 1.568) 6.234 2.140 ( -1.720 10.030 0.303) 10.181 2.259 ( 4.887 0.318 -3.697) 6.136 2.341 ( 0.160 2.160 -1.921) 2.895 2.368 ( 2.149 2.671 -3.851) 5.156 2.548 ( -3.051 -1.465 -9.054) 9.666 2.748 ( 1.683 3.314 14.691) 15.154 2.809 ( -0.995 1.227 2.803) 3.218 2.958 ( 0.451 1.700 1.180) 2.118 2.962 ( 1.097 1.632 2.957) 3.551 3.037 ( 4.905 4.221 8.444) 10.639 3.283 ( 0.672 -0.068 2.775) 2.856 3.332 ( -0.523 1.165 1.517) 1.983 3.413 ( -10.957 1.088 9.623) 14.623 3.795 ( 5.734 0.703 -1.664) 6.012 3.870 ( 8.650 -2.513 -4.541) 10.087 3.999 ( -3.734 -2.287 -10.041) 10.954 4.134 ( -3.655 -2.774 -5.337) 7.038 6.450 ( 1.245 0.159 1.316) 1.819 6.535 ( -2.422 -0.230 -0.824) 2.569 6.764 ( 1.140 8.289 4.408) 9.457 6.820 ( -0.005 -1.517 -1.304) 2.000 6.861 ( -0.489 6.345 1.172) 6.471 6.903 ( -0.140 5.402 -0.779) 5.460 7.100 ( -0.058 3.747 0.084) 3.748 7.168 ( -3.098 5.603 -3.071) 7.100 7.266 ( 2.596 1.101 -0.956) 2.978 7.310 ( 1.029 3.862 -3.044) 5.024 7.365 ( 2.109 9.104 -0.987) 9.397 7.426 ( 2.729 8.499 -1.927) 9.132 7.584 ( -3.177 2.770 1.433) 4.452 7.603 ( -4.738 4.610 0.519) 6.631 7.972 ( 2.103 -1.596 1.277) 2.933 8.004 ( -0.132 0.097 0.307) 0.348 8.178 ( 3.865 7.767 3.043) 9.194 8.338 ( -2.742 4.949 -5.768) 8.080 9.502 ( 0.793 -2.962 -2.029) 3.677 9.529 ( -0.331 -3.442 -2.872) 4.495 10.300 ( 0.424 -3.077 2.304) 3.867 10.348 ( -1.523 -3.364 1.134) 3.863 10.425 ( 2.867 -2.721 -3.232) 5.106 10.541 ( -2.070 -3.710 -7.374) 8.511 ======================= Grid point 202 (69/105) ======================= q-point: (-0.50 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -1.251 13.528 7.107) 15.333 1.320 ( 1.251 13.528 7.107) 15.333 1.440 ( -2.254 8.503 11.446) 14.436 1.440 ( 2.254 8.503 11.446) 14.436 1.737 ( -4.458 1.871 -6.598) 8.180 1.737 ( 4.458 1.871 -6.598) 8.180 2.107 ( -1.807 8.554 0.906) 8.790 2.107 ( 1.807 8.554 0.906) 8.790 2.326 ( -1.749 0.271 -2.269) 2.878 2.326 ( 1.749 0.271 -2.269) 2.878 2.452 ( -5.979 0.359 -8.237) 10.184 2.452 ( 5.979 0.359 -8.237) 10.184 2.785 ( -1.671 2.052 7.797) 8.234 2.785 ( 1.671 2.052 7.797) 8.234 2.966 ( -0.316 2.061 1.399) 2.511 2.966 ( 0.316 2.061 1.399) 2.511 3.189 ( -9.834 2.141 11.380) 15.192 3.189 ( 9.834 2.141 11.380) 15.192 3.318 ( -0.747 0.691 3.427) 3.574 3.318 ( 0.747 0.691 3.427) 3.574 3.905 ( -5.720 -1.083 -6.724) 8.894 3.905 ( 5.720 -1.083 -6.724) 8.894 4.030 ( -7.181 -2.557 -5.269) 9.267 4.030 ( 7.181 -2.557 -5.269) 9.267 6.486 ( -2.402 0.057 0.391) 2.434 6.486 ( 2.402 0.057 0.391) 2.434 6.794 ( -1.889 5.785 2.994) 6.782 6.794 ( 1.889 5.785 2.994) 6.782 6.883 ( -1.750 3.551 -1.306) 4.169 6.883 ( 1.750 3.551 -1.306) 4.169 7.118 ( -1.889 3.876 -1.931) 4.724 7.118 ( 1.889 3.876 -1.931) 4.724 7.305 ( -1.270 3.350 -2.621) 4.439 7.305 ( 1.270 3.350 -2.621) 4.439 7.434 ( -3.737 11.653 1.265) 12.302 7.434 ( 3.737 11.653 1.265) 12.302 7.541 ( -1.909 0.444 0.119) 1.964 7.541 ( 1.909 0.444 0.119) 1.964 7.997 ( -0.685 -0.375 0.438) 0.896 7.997 ( 0.685 -0.375 0.438) 0.896 8.265 ( -4.654 6.082 -1.673) 7.839 8.265 ( 4.654 6.082 -1.673) 7.839 9.518 ( -0.786 -3.242 -2.351) 4.081 9.518 ( 0.786 -3.242 -2.351) 4.081 10.318 ( -1.406 -3.119 1.668) 3.806 10.318 ( 1.406 -3.119 1.668) 3.806 10.487 ( -3.303 -3.238 -5.574) 7.243 10.487 ( 3.303 -3.238 -5.574) 7.243 ======================= Grid point 205 (70/105) ======================= q-point: ( 0.00 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 2.890 11.349) 11.712 1.476 ( 0.000 9.225 2.617) 9.589 1.670 ( 0.000 15.177 7.408) 16.888 1.723 ( 0.000 3.134 -3.285) 4.540 1.897 ( 0.000 10.851 2.977) 11.252 1.955 ( 0.000 -1.494 -0.319) 1.528 2.115 ( 0.000 13.168 -1.656) 13.272 2.229 ( 0.000 4.485 -5.670) 7.230 2.391 ( 0.000 0.955 -2.677) 2.842 2.425 ( 0.000 4.864 -1.292) 5.033 2.429 ( 0.000 11.590 0.326) 11.595 2.531 ( 0.000 -3.221 -3.637) 4.859 2.836 ( 0.000 6.513 9.765) 11.738 2.858 ( 0.000 3.383 2.190) 4.030 2.988 ( 0.000 1.361 2.106) 2.508 3.002 ( 0.000 4.421 3.023) 5.356 3.110 ( 0.000 5.729 4.887) 7.530 3.277 ( 0.000 1.114 3.166) 3.356 3.382 ( 0.000 3.246 -1.885) 3.754 3.630 ( 0.000 -3.752 2.155) 4.327 3.643 ( 0.000 4.227 5.571) 6.993 3.799 ( 0.000 3.726 -0.492) 3.758 3.963 ( 0.000 -4.130 -10.771) 11.535 4.090 ( 0.000 -4.954 -5.026) 7.057 6.461 ( 0.000 1.916 1.839) 2.656 6.561 ( 0.000 0.456 -0.697) 0.833 6.753 ( 0.000 -2.707 -2.787) 3.886 6.792 ( 0.000 -2.147 -2.180) 3.060 6.943 ( 0.000 3.349 4.966) 5.990 7.174 ( 0.000 5.116 -4.660) 6.921 7.184 ( 0.000 2.415 2.317) 3.347 7.241 ( 0.000 5.036 1.075) 5.149 7.337 ( 0.000 8.085 -2.037) 8.338 7.349 ( 0.000 6.254 -1.726) 6.488 7.513 ( 0.000 4.922 0.927) 5.008 7.563 ( 0.000 7.329 -1.092) 7.410 7.777 ( 0.000 13.547 3.547) 14.003 7.914 ( 0.000 2.164 2.000) 2.947 7.967 ( 0.000 20.395 -4.299) 20.843 7.996 ( 0.000 -0.937 -3.356) 3.484 8.360 ( 0.000 13.871 3.373) 14.275 8.513 ( 0.000 10.133 -5.207) 11.393 9.421 ( 0.000 -4.133 -2.390) 4.774 9.442 ( 0.000 -5.122 -3.016) 5.944 10.220 ( 0.000 -4.181 2.710) 4.982 10.280 ( 0.000 -4.943 3.259) 5.920 10.325 ( 0.000 -4.085 -3.123) 5.142 10.460 ( 0.000 -5.881 -6.113) 8.483 ======================= Grid point 206 (71/105) ======================= q-point: ( 0.25 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -1.128 5.899 9.565) 11.294 1.507 ( -1.510 5.436 7.967) 9.762 1.667 ( 1.398 9.529 2.363) 9.917 1.728 ( 0.385 8.839 -1.243) 8.934 1.864 ( -1.452 9.221 -0.338) 9.341 1.939 ( -3.406 9.131 1.708) 9.894 2.151 ( 4.398 5.531 -1.434) 7.210 2.257 ( 1.563 5.490 -4.679) 7.381 2.376 ( -1.242 0.090 -3.144) 3.382 2.392 ( -2.267 8.364 -0.823) 8.705 2.452 ( 1.371 5.684 -0.891) 5.915 2.514 ( -1.551 -0.995 -3.227) 3.716 2.841 ( 0.435 5.526 7.492) 9.320 2.857 ( -0.208 3.693 2.481) 4.454 2.999 ( 0.903 1.912 1.122) 2.394 3.014 ( 0.747 3.460 2.592) 4.387 3.139 ( 3.508 5.578 7.745) 10.169 3.292 ( 0.981 1.363 2.737) 3.211 3.367 ( -1.482 2.527 0.267) 2.942 3.464 ( -8.047 4.249 6.767) 11.341 3.807 ( 7.733 -3.260 0.157) 8.394 3.824 ( 2.577 2.321 -0.417) 3.494 3.945 ( -1.564 -2.595 -10.938) 11.349 4.059 ( -3.216 -4.502 -4.998) 7.456 6.471 ( 1.024 1.752 1.595) 2.582 6.540 ( -1.935 0.758 -0.111) 2.081 6.761 ( 0.733 -2.605 -2.550) 3.718 6.788 ( -0.409 -2.249 -2.290) 3.236 6.970 ( 2.680 3.378 4.184) 6.008 7.116 ( -4.155 1.134 1.293) 4.497 7.195 ( 0.953 10.862 -3.075) 11.329 7.263 ( -1.554 4.100 -2.893) 5.252 7.307 ( 2.099 5.484 1.367) 6.030 7.387 ( 0.475 4.254 -1.312) 4.477 7.527 ( 1.819 4.292 0.743) 4.721 7.573 ( 0.633 6.050 -1.087) 6.179 7.772 ( -0.298 15.823 3.440) 16.195 7.854 ( -4.352 14.624 1.702) 15.352 7.990 ( 1.025 7.512 -2.510) 7.986 7.998 ( 0.213 0.214 -3.485) 3.498 8.388 ( 2.648 13.249 1.588) 13.604 8.495 ( -1.886 10.560 -4.237) 11.534 9.426 ( 0.441 -4.348 -2.390) 4.982 9.441 ( -0.146 -5.027 -2.849) 5.780 10.224 ( 0.507 -4.156 2.663) 4.962 10.265 ( -1.249 -4.651 2.411) 5.385 10.352 ( 2.349 -4.448 -3.084) 5.900 10.444 ( -1.611 -5.641 -5.720) 8.193 ======================= Grid point 207 (72/105) ======================= q-point: (-0.50 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -3.167 5.323 10.355) 12.066 1.444 ( 3.167 5.323 10.355) 12.066 1.717 ( -2.166 8.439 -2.191) 8.984 1.717 ( 2.166 8.439 -2.191) 8.984 1.869 ( -2.429 12.170 1.644) 12.518 1.869 ( 2.429 12.170 1.644) 12.518 2.241 ( -3.729 4.342 -2.134) 6.109 2.241 ( 3.729 4.342 -2.134) 6.109 2.362 ( -0.445 3.011 -2.970) 4.252 2.362 ( 0.445 3.011 -2.970) 4.252 2.481 ( -1.699 3.167 -1.914) 4.072 2.481 ( 1.699 3.167 -1.914) 4.072 2.850 ( -0.448 4.366 4.392) 6.209 2.850 ( 0.448 4.366 4.392) 6.209 3.015 ( -0.602 2.566 0.864) 2.774 3.015 ( 0.602 2.566 0.864) 2.774 3.242 ( -6.256 2.662 7.892) 10.417 3.242 ( 6.256 2.662 7.892) 10.417 3.367 ( -2.391 4.879 3.557) 6.494 3.367 ( 2.391 4.879 3.557) 6.494 3.872 ( -2.128 -2.237 -2.752) 4.135 3.872 ( 2.128 -2.237 -2.752) 4.135 3.973 ( -5.310 -2.450 -6.326) 8.615 3.973 ( 5.310 -2.450 -6.326) 8.615 6.500 ( -1.962 1.316 0.890) 2.525 6.500 ( 1.962 1.316 0.890) 2.525 6.776 ( -0.796 -2.415 -2.358) 3.468 6.776 ( 0.796 -2.415 -2.358) 3.468 7.036 ( -3.997 2.864 2.757) 5.637 7.036 ( 3.997 2.864 2.757) 5.637 7.222 ( -1.904 8.936 -3.389) 9.745 7.222 ( 1.904 8.936 -3.389) 9.745 7.362 ( -2.589 2.351 0.419) 3.522 7.362 ( 2.589 2.351 0.419) 3.522 7.568 ( -1.576 3.428 -0.469) 3.802 7.568 ( 1.576 3.428 -0.469) 3.802 7.786 ( -2.237 19.266 2.929) 19.615 7.786 ( 2.237 19.266 2.929) 19.615 8.000 ( -0.152 2.070 -2.748) 3.444 8.000 ( 0.152 2.070 -2.748) 3.444 8.446 ( -3.063 11.777 -1.671) 12.283 8.446 ( 3.063 11.777 -1.671) 12.283 9.435 ( -0.441 -4.748 -2.536) 5.401 9.435 ( 0.441 -4.748 -2.536) 5.401 10.240 ( -1.169 -4.291 2.410) 5.058 10.240 ( 1.169 -4.291 2.410) 5.058 10.402 ( -2.638 -5.060 -4.504) 7.270 10.402 ( 2.638 -5.060 -4.504) 7.270 ======================= Grid point 210 (73/105) ======================= q-point: ( 0.00 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.000 5.633 7.238) 9.171 1.670 ( 0.000 9.740 -0.021) 9.740 1.782 ( 0.000 3.744 1.462) 4.019 1.859 ( 0.000 2.351 13.163) 13.371 1.949 ( 0.000 4.699 -5.108) 6.940 2.041 ( 0.000 5.674 -0.929) 5.750 2.325 ( 0.000 2.664 -9.978) 10.328 2.373 ( 0.000 -0.181 -7.552) 7.555 2.429 ( 0.000 11.829 1.673) 11.947 2.445 ( 0.000 -2.167 3.519) 4.132 2.520 ( 0.000 2.382 -0.598) 2.456 2.591 ( 0.000 4.707 -1.798) 5.039 2.941 ( 0.000 3.523 3.195) 4.755 2.949 ( 0.000 4.418 2.204) 4.937 2.995 ( 0.000 -0.556 2.735) 2.791 3.087 ( 0.000 3.115 0.946) 3.255 3.213 ( 0.000 3.124 4.105) 5.159 3.330 ( 0.000 3.862 0.913) 3.969 3.490 ( 0.000 9.315 1.455) 9.428 3.538 ( 0.000 -4.343 3.388) 5.509 3.767 ( 0.000 5.512 0.796) 5.570 3.857 ( 0.000 -1.850 -5.370) 5.680 3.961 ( 0.000 8.148 -2.130) 8.422 4.001 ( 0.000 -1.612 -1.922) 2.509 6.506 ( 0.000 2.421 1.414) 2.804 6.581 ( 0.000 1.505 -0.615) 1.626 6.702 ( 0.000 -2.395 -2.563) 3.508 6.752 ( 0.000 -1.653 -2.996) 3.422 6.963 ( 0.000 -0.194 5.029) 5.033 7.174 ( 0.000 -1.129 -3.671) 3.841 7.205 ( 0.000 0.104 1.685) 1.688 7.303 ( 0.000 0.916 -3.833) 3.941 7.474 ( 0.000 5.104 -0.154) 5.106 7.475 ( 0.000 2.283 1.387) 2.671 7.686 ( 0.000 13.041 0.735) 13.061 7.729 ( 0.000 9.447 -0.086) 9.448 7.856 ( 0.000 -0.252 0.557) 0.612 7.960 ( 0.000 -2.031 -4.683) 5.105 8.181 ( 0.000 16.859 5.595) 17.763 8.380 ( 0.000 18.619 -4.183) 19.083 8.670 ( 0.000 16.066 0.894) 16.091 8.741 ( 0.000 11.804 -3.475) 12.305 9.343 ( 0.000 -3.332 -2.468) 4.146 9.347 ( 0.000 -3.917 -2.623) 4.714 10.140 ( 0.000 -3.991 2.895) 4.930 10.184 ( 0.000 -4.196 3.294) 5.334 10.238 ( 0.000 -4.606 -2.556) 5.268 10.341 ( 0.000 -5.796 -4.473) 7.322 ======================= Grid point 211 (74/105) ======================= q-point: ( 0.25 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.181 6.804 7.371) 10.033 1.643 ( -3.761 7.091 3.517) 8.763 1.773 ( 2.279 5.509 0.182) 5.965 1.912 ( -2.739 6.997 -4.235) 8.626 1.942 ( 5.331 1.719 8.642) 10.298 2.064 ( 1.145 4.742 1.057) 4.991 2.287 ( -2.744 3.728 -7.277) 8.625 2.329 ( -3.483 -2.628 -4.672) 6.392 2.434 ( 1.350 7.167 -4.150) 8.391 2.486 ( 0.796 2.042 1.309) 2.552 2.513 ( 0.607 4.015 0.183) 4.065 2.581 ( -1.055 4.322 -0.226) 4.455 2.938 ( -0.026 3.735 2.967) 4.770 2.947 ( -0.193 4.449 2.433) 5.074 3.019 ( 1.962 0.043 1.879) 2.717 3.078 ( -0.847 2.441 0.753) 2.691 3.233 ( 2.132 2.810 4.438) 5.669 3.343 ( -0.224 3.680 1.751) 4.081 3.437 ( -1.269 2.360 2.273) 3.514 3.555 ( -1.614 5.339 -0.339) 5.588 3.770 ( 2.157 -1.080 1.710) 2.957 3.889 ( 0.889 5.221 -1.306) 5.455 3.942 ( -0.682 1.472 -4.008) 4.324 3.996 ( -0.721 1.933 -2.938) 3.590 6.513 ( 0.736 2.334 1.326) 2.783 6.565 ( -1.466 1.702 0.010) 2.247 6.712 ( 0.929 -2.276 -2.574) 3.559 6.747 ( -0.533 -1.743 -2.919) 3.441 6.986 ( 2.191 -0.437 3.494) 4.147 7.108 ( -3.889 -0.793 -1.076) 4.113 7.271 ( 3.922 -0.460 -0.285) 3.959 7.320 ( 1.569 1.682 -3.261) 3.990 7.445 ( -2.210 3.366 1.093) 4.173 7.460 ( -1.874 4.048 0.467) 4.485 7.682 ( 0.092 10.607 -0.315) 10.612 7.719 ( -1.109 8.619 -0.914) 8.738 7.890 ( 3.033 1.098 0.872) 3.341 7.968 ( 0.166 -0.551 -2.967) 3.022 8.196 ( 1.836 17.428 4.271) 18.037 8.341 ( -3.763 18.619 -2.410) 19.148 8.681 ( 1.100 15.047 -0.426) 15.093 8.731 ( -0.978 12.284 -3.242) 12.743 9.344 ( 0.065 -3.521 -2.419) 4.272 9.347 ( -0.036 -3.975 -2.545) 4.720 10.144 ( 0.496 -3.903 2.966) 4.928 10.176 ( -0.771 -3.947 3.121) 5.091 10.257 ( 1.826 -4.858 -2.856) 5.924 10.329 ( -1.208 -5.638 -4.288) 7.186 ======================= Grid point 212 (75/105) ======================= q-point: (-0.50 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -2.779 7.098 6.574) 10.066 1.572 ( 2.779 7.098 6.574) 10.066 1.843 ( -4.080 5.814 -3.809) 8.060 1.843 ( 4.080 5.814 -3.809) 8.060 2.040 ( -3.922 4.611 6.665) 9.004 2.040 ( 3.922 4.611 6.665) 9.004 2.272 ( -1.705 -0.525 -6.551) 6.790 2.272 ( 1.705 -0.525 -6.551) 6.790 2.464 ( -1.682 5.220 -3.512) 6.513 2.464 ( 1.682 5.220 -3.512) 6.513 2.551 ( -2.072 3.773 1.769) 4.654 2.551 ( 2.072 3.773 1.769) 4.654 2.942 ( -0.324 4.188 2.675) 4.980 2.942 ( 0.324 4.188 2.675) 4.980 3.055 ( -1.609 1.253 0.848) 2.209 3.055 ( 1.609 1.253 0.848) 2.209 3.291 ( -3.702 2.240 4.408) 6.177 3.291 ( 3.702 2.240 4.408) 6.177 3.485 ( -4.453 4.346 -0.655) 6.257 3.485 ( 4.453 4.346 -0.655) 6.257 3.841 ( -4.221 1.197 1.874) 4.771 3.841 ( 4.221 1.197 1.874) 4.771 3.969 ( -2.004 2.829 -4.661) 5.809 3.969 ( 2.004 2.829 -4.661) 5.809 6.535 ( -1.471 2.071 0.907) 2.697 6.535 ( 1.471 2.071 0.907) 2.697 6.732 ( -1.029 -1.997 -2.723) 3.530 6.732 ( 1.029 -1.997 -2.723) 3.530 7.039 ( -3.275 -0.773 0.809) 3.461 7.039 ( 3.275 -0.773 0.809) 3.461 7.331 ( -1.625 0.513 -1.356) 2.178 7.331 ( 1.625 0.513 -1.356) 2.178 7.423 ( -0.974 4.128 0.729) 4.304 7.423 ( 0.974 4.128 0.729) 4.304 7.695 ( -1.152 8.333 -1.270) 8.507 7.695 ( 1.152 8.333 -1.270) 8.507 7.947 ( -2.374 1.454 -0.098) 2.786 7.947 ( 2.374 1.454 -0.098) 2.786 8.257 ( -4.324 18.148 0.924) 18.679 8.257 ( 4.324 18.148 0.924) 18.679 8.707 ( -1.479 13.440 -2.296) 13.714 8.707 ( 1.479 13.440 -2.296) 13.714 9.345 ( -0.099 -3.871 -2.419) 4.565 9.345 ( 0.099 -3.871 -2.419) 4.565 10.158 ( -0.926 -3.793 3.043) 4.950 10.158 ( 0.926 -3.793 3.043) 4.950 10.297 ( -2.058 -5.260 -3.678) 6.740 10.297 ( 2.058 -5.260 -3.678) 6.740 ======================= Grid point 215 (76/105) ======================= q-point: ( 0.00 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 0.000 6.964 2.886) 7.538 1.812 ( 0.000 2.797 -1.247) 3.063 1.874 ( 0.000 5.238 3.204) 6.141 1.912 ( 0.000 6.969 7.704) 10.388 2.082 ( 0.000 6.186 -4.032) 7.384 2.141 ( 0.000 4.099 -2.156) 4.631 2.300 ( 0.000 -3.436 -4.808) 5.910 2.331 ( 0.000 -2.479 -3.066) 3.943 2.448 ( 0.000 1.679 2.514) 3.023 2.548 ( 0.000 0.277 1.252) 1.282 2.606 ( 0.000 5.077 -2.761) 5.780 2.640 ( 0.000 0.797 -2.499) 2.623 2.941 ( 0.000 -2.962 2.407) 3.817 2.984 ( 0.000 1.038 1.773) 2.055 3.025 ( 0.000 1.785 1.931) 2.629 3.115 ( 0.000 -0.047 -1.294) 1.295 3.217 ( 0.000 -1.485 1.218) 1.921 3.349 ( 0.000 -2.610 -3.213) 4.139 3.503 ( 0.000 -0.618 3.875) 3.924 3.722 ( 0.000 -4.957 -4.240) 6.523 3.752 ( 0.000 12.524 3.438) 12.987 3.869 ( 0.000 5.306 -2.929) 6.061 4.132 ( 0.000 11.540 2.180) 11.744 4.174 ( 0.000 11.598 0.656) 11.617 6.550 ( 0.000 1.866 0.943) 2.091 6.616 ( 0.000 1.740 -1.637) 2.389 6.661 ( 0.000 -1.459 -1.227) 1.907 6.728 ( 0.000 -0.833 -3.274) 3.379 6.963 ( 0.000 0.504 3.795) 3.829 7.151 ( 0.000 -1.144 -3.638) 3.813 7.198 ( 0.000 -0.705 1.223) 1.411 7.292 ( 0.000 -1.976 -4.038) 4.496 7.511 ( 0.000 2.289 2.406) 3.321 7.556 ( 0.000 3.556 -0.496) 3.590 7.843 ( 0.000 -0.794 -1.942) 2.098 7.869 ( 0.000 0.280 -0.867) 0.911 7.942 ( 0.000 11.929 0.060) 11.929 7.973 ( 0.000 7.240 -3.305) 7.959 8.454 ( 0.000 9.817 6.168) 11.594 8.651 ( 0.000 7.877 -2.805) 8.361 8.946 ( 0.000 10.550 -0.785) 10.579 8.951 ( 0.000 8.747 -1.803) 8.931 9.302 ( 0.000 -0.308 -1.838) 1.864 9.305 ( 0.000 -0.045 -1.597) 1.597 10.057 ( 0.000 -3.922 2.451) 4.625 10.127 ( 0.000 -1.755 2.690) 3.212 10.143 ( 0.000 -4.832 -1.972) 5.219 10.239 ( 0.000 -4.233 -2.957) 5.164 ======================= Grid point 216 (77/105) ======================= q-point: ( 0.25 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.512 7.134 2.865) 7.705 1.763 ( -3.242 4.940 1.566) 6.112 1.903 ( 2.156 6.494 -0.826) 6.893 1.961 ( 3.255 3.345 5.694) 7.362 2.054 ( -1.228 5.164 -1.517) 5.521 2.155 ( 0.013 4.117 -0.233) 4.124 2.268 ( -2.100 -2.689 -2.683) 4.340 2.307 ( -2.312 -0.587 -4.617) 5.196 2.468 ( 1.863 0.593 1.432) 2.423 2.535 ( -1.167 0.429 0.732) 1.443 2.613 ( 0.604 4.101 -2.505) 4.843 2.637 ( -0.403 1.301 -2.434) 2.789 2.974 ( 2.503 -1.493 1.808) 3.430 2.989 ( 0.432 1.084 1.808) 2.151 3.028 ( 0.603 1.186 1.890) 2.312 3.102 ( -1.326 0.035 -0.507) 1.420 3.241 ( 2.550 -1.203 1.118) 3.033 3.379 ( 3.170 -3.310 -3.531) 5.785 3.425 ( -6.089 0.279 2.914) 6.756 3.612 ( -7.869 -4.111 -4.278) 9.855 3.839 ( 7.032 11.179 3.760) 13.731 3.961 ( 5.780 5.053 -1.918) 7.913 4.096 ( -3.223 11.962 2.259) 12.593 4.155 ( -2.087 10.495 -0.054) 10.701 6.558 ( 0.744 1.985 0.922) 2.312 6.604 ( -1.186 2.054 -0.571) 2.439 6.672 ( 1.108 -1.600 -1.830) 2.672 6.720 ( -0.809 -1.006 -3.092) 3.350 6.981 ( 1.828 0.273 2.247) 2.909 7.095 ( -3.714 -0.431 -1.969) 4.225 7.247 ( 3.175 -1.824 0.161) 3.665 7.307 ( 0.944 -2.571 -2.612) 3.785 7.497 ( -0.843 3.179 1.393) 3.571 7.543 ( -1.521 3.827 -0.723) 4.181 7.818 ( -1.227 1.721 -1.834) 2.799 7.842 ( -2.323 0.847 -2.146) 3.274 7.975 ( 3.204 9.217 0.189) 9.760 8.014 ( 2.133 6.822 -2.008) 7.425 8.475 ( 2.318 9.806 5.240) 11.357 8.619 ( -3.223 8.486 -1.121) 9.146 8.940 ( -0.175 10.201 -1.507) 10.314 8.952 ( -0.211 9.252 -1.814) 9.430 9.294 ( -0.452 -1.190 -1.662) 2.093 9.302 ( -0.490 -0.374 -1.916) 2.012 10.068 ( 1.016 -3.536 2.588) 4.498 10.115 ( -0.976 -2.340 2.619) 3.645 10.165 ( 1.830 -4.255 -2.116) 5.093 10.230 ( -1.006 -4.181 -2.894) 5.184 ======================= Grid point 217 (78/105) ======================= q-point: (-0.50 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -1.944 6.719 2.492) 7.425 1.712 ( 1.944 6.719 2.492) 7.425 1.953 ( -2.756 5.198 -2.223) 6.290 1.953 ( 2.756 5.198 -2.223) 6.290 2.103 ( -4.674 2.322 5.373) 7.490 2.103 ( 4.674 2.322 5.373) 7.490 2.265 ( -1.636 0.202 -4.896) 5.167 2.265 ( 1.636 0.202 -4.896) 5.167 2.506 ( -1.880 0.247 0.605) 1.990 2.506 ( 1.880 0.247 0.605) 1.990 2.626 ( -0.674 2.588 -2.422) 3.608 2.626 ( 0.674 2.588 -2.422) 3.608 2.996 ( -0.125 1.157 1.730) 2.085 2.996 ( 0.125 1.157 1.730) 2.085 3.064 ( -2.556 -0.257 0.867) 2.711 3.064 ( 2.556 -0.257 0.867) 2.711 3.314 ( -5.026 -0.355 1.661) 5.305 3.314 ( 5.026 -0.355 1.661) 5.305 3.471 ( -6.402 -4.264 -4.074) 8.704 3.471 ( 6.402 -4.264 -4.074) 8.704 3.969 ( -5.606 10.156 3.347) 12.073 3.969 ( 5.606 10.156 3.347) 12.073 4.095 ( -3.767 9.148 -1.110) 9.955 4.095 ( 3.767 9.148 -1.110) 9.955 6.578 ( -1.330 2.156 0.576) 2.598 6.578 ( 1.330 2.156 0.576) 2.598 6.698 ( -1.397 -1.384 -2.585) 3.248 6.698 ( 1.397 -1.384 -2.585) 3.248 7.029 ( -3.076 -0.084 -0.314) 3.093 7.029 ( 3.076 -0.084 -0.314) 3.093 7.299 ( -1.919 -2.912 -0.200) 3.493 7.299 ( 1.919 -2.912 -0.200) 3.493 7.506 ( -1.783 4.183 -0.597) 4.586 7.506 ( 1.783 4.183 -0.597) 4.586 7.812 ( -0.657 1.889 -2.128) 2.920 7.812 ( 0.657 1.889 -2.128) 2.920 8.023 ( -1.262 7.406 -0.578) 7.535 8.023 ( 1.262 7.406 -0.578) 7.535 8.542 ( -4.339 9.440 2.391) 10.661 8.542 ( 4.339 9.440 2.391) 10.661 8.944 ( -0.498 9.791 -2.037) 10.013 8.944 ( 0.498 9.791 -2.037) 10.013 9.292 ( -0.324 -1.370 -1.849) 2.324 9.292 ( 0.324 -1.370 -1.849) 2.324 10.092 ( -1.387 -2.827 2.724) 4.163 10.092 ( 1.387 -2.827 2.724) 4.163 10.202 ( -1.851 -4.123 -2.636) 5.232 10.202 ( 1.851 -4.123 -2.636) 5.232 ======================= Grid point 220 (79/105) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.000 6.599 -0.260) 6.604 1.863 ( 0.000 3.473 -0.640) 3.531 1.977 ( 0.000 4.674 2.642) 5.369 2.061 ( 0.000 5.357 2.699) 5.999 2.149 ( 0.000 0.940 -4.580) 4.675 2.189 ( 0.000 0.293 -1.961) 1.983 2.259 ( 0.000 0.175 -0.395) 0.433 2.296 ( 0.000 -0.604 -0.915) 1.097 2.480 ( 0.000 1.284 3.280) 3.522 2.547 ( 0.000 0.384 0.350) 0.520 2.626 ( 0.000 -1.938 -2.103) 2.860 2.651 ( 0.000 -0.313 -2.064) 2.087 2.896 ( 0.000 -0.829 1.281) 1.526 2.984 ( 0.000 -1.103 0.242) 1.129 3.046 ( 0.000 0.696 1.258) 1.438 3.102 ( 0.000 -0.784 -1.480) 1.674 3.189 ( 0.000 -0.850 0.647) 1.068 3.287 ( 0.000 -2.945 -2.405) 3.802 3.452 ( 0.000 -3.656 -0.720) 3.726 3.569 ( 0.000 -7.664 -3.991) 8.641 4.019 ( 0.000 11.488 2.730) 11.808 4.038 ( 0.000 9.439 0.761) 9.469 4.354 ( 0.000 9.689 1.770) 9.849 4.385 ( 0.000 8.882 0.942) 8.932 6.579 ( 0.000 1.019 0.389) 1.091 6.621 ( 0.000 -0.888 -2.096) 2.277 6.668 ( 0.000 1.619 -0.672) 1.753 6.716 ( 0.000 -0.395 -3.030) 3.056 6.990 ( 0.000 2.177 1.998) 2.955 7.130 ( 0.000 -0.931 -3.168) 3.302 7.180 ( 0.000 -1.009 0.638) 1.194 7.233 ( 0.000 -3.555 -2.382) 4.279 7.569 ( 0.000 3.327 0.861) 3.437 7.622 ( 0.000 2.982 -1.147) 3.195 7.819 ( 0.000 -1.507 -3.300) 3.628 7.825 ( 0.000 -2.869 -3.632) 4.628 8.157 ( 0.000 9.371 -0.158) 9.372 8.164 ( 0.000 10.272 -0.254) 10.275 8.566 ( 0.000 1.669 4.407) 4.713 8.698 ( 0.000 -2.244 -1.603) 2.758 9.077 ( 0.000 3.450 -0.752) 3.531 9.080 ( 0.000 4.254 -0.797) 4.328 9.328 ( 0.000 2.290 -0.609) 2.369 9.342 ( 0.000 2.885 -0.589) 2.944 9.997 ( 0.000 -2.031 1.393) 2.463 10.053 ( 0.000 -3.943 -1.393) 4.182 10.104 ( 0.000 -0.621 1.792) 1.897 10.170 ( 0.000 -2.847 -1.550) 3.241 ======================= Grid point 221 (80/105) ======================= q-point: ( 0.25 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.330 6.536 -0.393) 6.556 1.853 ( -0.829 4.592 -0.635) 4.710 1.999 ( 2.029 3.863 1.111) 4.503 2.078 ( 1.714 5.303 3.738) 6.711 2.103 ( -2.933 0.735 -3.163) 4.376 2.214 ( -3.266 1.225 2.366) 4.215 2.234 ( 2.185 -0.652 -2.843) 3.644 2.297 ( -0.443 -0.017 -2.716) 2.751 2.488 ( 0.833 1.249 2.547) 2.957 2.537 ( -1.066 0.368 0.673) 1.313 2.631 ( 0.463 -1.574 -2.404) 2.910 2.648 ( -0.301 -0.505 -2.319) 2.392 2.938 ( 3.736 -1.113 1.232) 4.088 2.997 ( 1.188 -0.427 0.671) 1.430 3.041 ( -0.501 0.258 1.251) 1.372 3.090 ( -1.402 -0.944 -0.725) 1.839 3.213 ( 2.562 -1.102 0.088) 2.790 3.302 ( 1.578 -3.392 -2.077) 4.279 3.396 ( -4.762 -2.793 -1.489) 5.718 3.493 ( -6.495 -6.365 -3.754) 9.838 4.079 ( 5.595 10.950 2.669) 12.583 4.114 ( 6.165 8.642 0.900) 10.654 4.320 ( -3.329 9.621 1.727) 10.326 4.354 ( -3.178 8.544 0.709) 9.143 6.590 ( 1.096 1.244 0.359) 1.696 6.632 ( 0.694 0.051 -2.139) 2.250 6.658 ( -0.578 0.758 -0.299) 0.999 6.705 ( -1.135 -0.541 -2.816) 3.084 7.003 ( 1.359 1.903 0.914) 2.510 7.094 ( -2.816 0.361 -2.241) 3.617 7.203 ( 1.598 -2.536 0.081) 2.999 7.237 ( 0.106 -4.071 -1.494) 4.338 7.570 ( 0.383 3.946 -0.123) 3.966 7.616 ( -0.805 3.556 -1.575) 3.971 7.809 ( -0.805 -1.733 -3.026) 3.578 7.812 ( -0.965 -2.441 -3.287) 4.207 8.175 ( 1.870 9.846 0.210) 10.025 8.191 ( 1.785 9.666 -0.500) 9.842 8.580 ( 1.575 0.978 3.743) 4.177 8.678 ( -2.078 -1.811 -0.685) 2.840 9.082 ( 0.674 4.212 -0.526) 4.298 9.092 ( 0.838 5.320 -0.985) 5.475 9.294 ( -2.260 0.883 -0.319) 2.447 9.322 ( -2.236 1.592 -1.299) 3.036 10.015 ( 1.706 -1.637 1.538) 2.820 10.068 ( 0.588 -2.581 -0.458) 2.686 10.103 ( 0.465 -1.674 0.762) 1.897 10.161 ( -1.010 -2.890 -1.523) 3.419 ======================= Grid point 222 (81/105) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.780 5.968 -0.606) 6.049 1.837 ( 0.780 5.968 -0.606) 6.049 2.045 ( -2.700 3.427 -1.499) 4.613 2.045 ( 2.700 3.427 -1.499) 4.613 2.137 ( -3.966 1.434 4.559) 6.211 2.137 ( 3.966 1.434 4.559) 6.211 2.276 ( -1.763 0.363 -3.316) 3.773 2.276 ( 1.763 0.363 -3.316) 3.773 2.511 ( -1.461 0.702 1.426) 2.159 2.511 ( 1.461 0.702 1.426) 2.159 2.640 ( -0.490 -0.979 -2.620) 2.839 2.640 ( 0.490 -0.979 -2.620) 2.839 3.001 ( -1.839 -0.093 1.286) 2.246 3.001 ( 1.839 -0.093 1.286) 2.246 3.049 ( -2.210 -1.030 0.458) 2.481 3.049 ( 2.210 -1.030 0.458) 2.481 3.285 ( -4.532 -1.894 0.071) 4.913 3.285 ( 4.532 -1.894 0.071) 4.913 3.376 ( -4.597 -4.626 -4.110) 7.709 3.376 ( 4.597 -4.626 -4.110) 7.709 4.183 ( -2.889 10.272 2.655) 10.996 4.183 ( 2.889 10.272 2.655) 10.996 4.280 ( -2.725 8.114 0.315) 8.565 4.280 ( 2.725 8.114 0.315) 8.565 6.617 ( -1.589 1.700 -0.053) 2.327 6.617 ( 1.589 1.700 -0.053) 2.327 6.676 ( -1.744 -0.872 -2.157) 2.908 6.676 ( 1.744 -0.872 -2.157) 2.908 7.040 ( -2.543 1.314 -0.944) 3.014 7.040 ( 2.543 1.314 -0.944) 3.014 7.229 ( -0.986 -3.970 -0.304) 4.102 7.229 ( 0.986 -3.970 -0.304) 4.102 7.590 ( -1.598 4.304 -1.580) 4.856 7.590 ( 1.598 4.304 -1.580) 4.856 7.801 ( -0.097 -2.026 -2.837) 3.487 7.801 ( 0.097 -2.026 -2.837) 3.487 8.205 ( -0.638 9.771 -0.045) 9.792 8.205 ( 0.638 9.771 -0.045) 9.792 8.626 ( -3.013 -0.544 1.630) 3.469 8.626 ( 3.013 -0.544 1.630) 3.469 9.097 ( -0.492 6.009 -0.632) 6.062 9.097 ( 0.492 6.009 -0.632) 6.062 9.280 ( -1.214 -0.426 -1.126) 1.710 9.280 ( 1.214 -0.426 -1.126) 1.710 10.051 ( -1.801 -1.118 1.467) 2.578 10.051 ( 1.801 -1.118 1.467) 2.578 10.132 ( -1.875 -2.979 -1.280) 3.745 10.132 ( 1.875 -2.979 -1.280) 3.745 ======================= Grid point 225 (82/105) ======================= q-point: ( 0.00 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 0.000 4.884 -1.974) 5.268 1.949 ( 0.000 4.481 -1.816) 4.835 2.036 ( 0.000 0.192 0.404) 0.447 2.050 ( 0.000 -3.335 -0.951) 3.468 2.171 ( 0.000 -0.347 0.297) 0.457 2.189 ( 0.000 -0.028 0.161) 0.163 2.283 ( 0.000 2.133 -0.174) 2.140 2.302 ( 0.000 0.421 -0.196) 0.465 2.504 ( 0.000 1.823 3.602) 4.038 2.565 ( 0.000 -3.749 0.798) 3.833 2.577 ( 0.000 2.270 -1.230) 2.582 2.623 ( 0.000 -2.082 -1.656) 2.660 2.909 ( 0.000 1.642 -0.330) 1.675 2.948 ( 0.000 -2.118 -0.829) 2.275 3.063 ( 0.000 1.061 0.791) 1.323 3.085 ( 0.000 -1.031 0.084) 1.035 3.195 ( 0.000 1.440 -1.122) 1.826 3.236 ( 0.000 -2.356 -2.292) 3.287 3.400 ( 0.000 -0.681 -1.938) 2.054 3.441 ( 0.000 -4.684 -3.045) 5.587 4.181 ( 0.000 4.298 1.805) 4.661 4.182 ( 0.000 4.064 1.374) 4.290 4.494 ( 0.000 4.018 1.582) 4.318 4.505 ( 0.000 2.885 1.285) 3.158 6.594 ( 0.000 0.579 -0.225) 0.621 6.605 ( 0.000 -0.637 -0.945) 1.140 6.696 ( 0.000 1.015 -1.933) 2.183 6.709 ( 0.000 -0.414 -2.618) 2.650 7.046 ( 0.000 3.279 0.029) 3.279 7.105 ( 0.000 -2.091 -2.081) 2.950 7.162 ( 0.000 -0.576 -0.012) 0.576 7.171 ( 0.000 -1.964 -0.693) 2.083 7.634 ( 0.000 2.877 -0.381) 2.903 7.663 ( 0.000 0.559 -0.962) 1.112 7.779 ( 0.000 -1.185 -4.383) 4.540 7.787 ( 0.000 -1.495 -4.189) 4.448 8.320 ( 0.000 6.239 0.340) 6.248 8.335 ( 0.000 5.718 -0.319) 5.727 8.553 ( 0.000 -1.162 2.038) 2.346 8.607 ( 0.000 -5.633 -0.390) 5.646 9.120 ( 0.000 1.273 0.080) 1.276 9.127 ( 0.000 0.755 -0.141) 0.768 9.371 ( 0.000 1.643 -0.033) 1.643 9.382 ( 0.000 0.736 -0.275) 0.786 9.976 ( 0.000 -0.070 0.433) 0.439 9.994 ( 0.000 -1.906 -0.455) 1.960 10.102 ( 0.000 0.464 0.603) 0.761 10.124 ( 0.000 -1.755 -0.506) 1.826 ======================= Grid point 226 (83/105) ======================= q-point: ( 0.25 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 0.503 5.061 -1.361) 5.265 1.951 ( 0.191 5.137 -1.459) 5.344 2.038 ( 0.269 -1.391 0.221) 1.434 2.050 ( -0.020 -2.965 -0.470) 3.002 2.170 ( 0.359 1.980 0.950) 2.225 2.214 ( 2.124 -1.680 -1.213) 2.967 2.248 ( -2.897 3.166 0.773) 4.360 2.295 ( -1.174 -0.890 -1.282) 1.953 2.517 ( 1.180 2.058 2.647) 3.555 2.562 ( -0.657 1.027 -0.071) 1.221 2.581 ( 0.619 -2.135 -0.265) 2.239 2.615 ( -0.717 -2.335 -1.431) 2.831 2.941 ( 3.085 1.198 -0.071) 3.310 2.973 ( 2.353 -1.725 -0.387) 2.943 3.051 ( -1.308 0.873 0.762) 1.748 3.071 ( -1.567 -0.996 0.182) 1.866 3.211 ( 1.804 1.049 -1.320) 2.470 3.248 ( 1.310 -2.288 -2.316) 3.509 3.352 ( -4.213 -0.696 -2.039) 4.732 3.386 ( -4.872 -3.900 -2.915) 6.888 4.238 ( 5.451 4.498 1.717) 7.272 4.246 ( 5.782 3.628 1.366) 6.961 4.458 ( -3.656 3.943 1.582) 5.605 4.470 ( -3.629 2.759 1.240) 4.724 6.609 ( 1.483 0.738 -0.344) 1.692 6.622 ( 1.622 -0.627 -1.143) 2.081 6.681 ( -1.451 1.021 -1.496) 2.321 6.696 ( -1.365 -0.505 -2.314) 2.734 7.055 ( 0.980 3.223 -0.272) 3.380 7.104 ( -0.391 -0.098 -2.035) 2.075 7.149 ( -0.832 -2.258 0.060) 2.407 7.164 ( -0.686 -2.620 -0.827) 2.832 7.646 ( 1.220 3.413 -1.105) 3.789 7.674 ( 0.855 1.525 -1.607) 2.375 7.760 ( -1.574 -1.775 -3.728) 4.419 7.772 ( -1.413 -2.037 -3.684) 4.441 8.350 ( 2.706 7.127 0.474) 7.638 8.367 ( 2.645 6.795 -0.316) 7.299 8.544 ( -0.662 -2.890 1.836) 3.487 8.589 ( -1.828 -5.959 -0.166) 6.235 9.141 ( 2.259 1.922 0.196) 2.972 9.154 ( 2.640 0.991 -0.333) 2.840 9.318 ( -4.599 1.364 0.202) 4.801 9.338 ( -4.278 -0.242 -0.559) 4.321 10.003 ( 2.399 0.340 0.515) 2.478 10.024 ( 2.558 -1.695 -0.517) 3.112 10.091 ( -1.166 0.307 0.603) 1.348 10.113 ( -1.177 -1.850 -0.508) 2.251 ======================= Grid point 227 (84/105) ======================= q-point: (-0.50 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -0.127 5.625 -0.925) 5.702 1.953 ( 0.127 5.625 -0.925) 5.702 2.046 ( -0.430 -3.126 0.021) 3.156 2.046 ( 0.430 -3.126 0.021) 3.156 2.194 ( -2.228 3.916 0.943) 4.603 2.194 ( 2.228 3.916 0.943) 4.603 2.260 ( -2.308 -2.207 -1.764) 3.648 2.260 ( 2.308 -2.207 -1.764) 3.648 2.542 ( -1.281 2.388 0.866) 2.845 2.542 ( 1.281 2.388 0.866) 2.845 2.598 ( -1.024 -2.894 -0.732) 3.156 2.598 ( 1.024 -2.894 -0.732) 3.156 3.007 ( -2.945 0.743 0.465) 3.073 3.007 ( 2.945 0.743 0.465) 3.073 3.027 ( -2.559 -1.159 0.203) 2.817 3.027 ( 2.559 -1.159 0.203) 2.817 3.265 ( -3.290 0.244 -1.417) 3.591 3.265 ( 3.290 0.244 -1.417) 3.591 3.298 ( -3.092 -3.009 -3.043) 5.279 3.298 ( 3.092 -3.009 -3.043) 5.279 4.346 ( -1.977 5.452 1.841) 6.084 4.346 ( 1.977 5.452 1.841) 6.084 4.383 ( -2.057 1.805 1.068) 2.938 4.383 ( 2.057 1.805 1.068) 2.938 6.644 ( -1.909 1.059 -0.852) 2.344 6.644 ( 1.909 1.059 -0.852) 2.344 6.661 ( -1.953 -0.706 -1.583) 2.612 6.661 ( 1.953 -0.706 -1.583) 2.612 7.082 ( -1.656 2.795 -1.011) 3.403 7.082 ( 1.656 2.795 -1.011) 3.403 7.149 ( -0.691 -3.859 -0.691) 3.981 7.149 ( 0.691 -3.859 -0.691) 3.981 7.674 ( -1.229 3.995 -2.359) 4.800 7.674 ( 1.229 3.995 -2.359) 4.800 7.747 ( -0.711 -3.264 -2.810) 4.365 7.747 ( 0.711 -3.264 -2.810) 4.365 8.393 ( -0.840 8.905 0.257) 8.948 8.393 ( 0.840 8.905 0.257) 8.948 8.549 ( -1.622 -6.407 0.746) 6.651 8.549 ( 1.622 -6.407 0.746) 6.651 9.195 ( -1.571 4.000 0.053) 4.298 9.195 ( 1.571 4.000 0.053) 4.298 9.257 ( -1.836 -2.131 -0.361) 2.836 9.257 ( 1.836 -2.131 -0.361) 2.836 10.049 ( -1.831 0.868 0.399) 2.065 10.049 ( 1.831 0.868 0.399) 2.065 10.081 ( -1.834 -2.169 -0.347) 2.861 10.081 ( 1.834 -2.169 -0.347) 2.861 ======================= Grid point 260 (85/105) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.000 0.000 -4.215) 4.215 1.165 ( 0.000 0.000 4.215) 4.215 1.444 ( 0.000 0.000 -10.502) 10.502 1.444 ( 0.000 0.000 10.502) 10.502 1.941 ( 0.000 0.000 -11.447) 11.447 1.941 ( 0.000 0.000 11.447) 11.447 1.988 ( 0.000 0.000 -1.035) 1.035 1.988 ( 0.000 0.000 1.035) 1.035 2.242 ( 0.000 0.000 -18.013) 18.013 2.242 ( 0.000 0.000 18.013) 18.013 2.301 ( 0.000 0.000 -0.056) 0.056 2.301 ( 0.000 0.000 0.056) 0.056 2.833 ( 0.000 0.000 -0.560) 0.560 2.833 ( 0.000 0.000 0.560) 0.560 2.960 ( 0.000 0.000 -0.242) 0.242 2.960 ( 0.000 0.000 0.242) 0.242 3.305 ( 0.000 0.000 -3.567) 3.567 3.305 ( 0.000 0.000 3.567) 3.567 3.416 ( 0.000 0.000 -21.389) 21.389 3.416 ( 0.000 0.000 21.389) 21.389 3.691 ( 0.000 0.000 -3.792) 3.792 3.691 ( 0.000 0.000 3.792) 3.792 4.064 ( 0.000 0.000 -6.552) 6.552 4.064 ( 0.000 0.000 6.552) 6.552 6.492 ( 0.000 0.000 -3.870) 3.870 6.492 ( 0.000 0.000 3.870) 3.870 6.756 ( 0.000 0.000 -3.574) 3.574 6.756 ( 0.000 0.000 3.574) 3.574 6.914 ( 0.000 0.000 -2.950) 2.950 6.914 ( 0.000 0.000 2.950) 2.950 6.979 ( 0.000 0.000 -1.263) 1.263 6.979 ( 0.000 0.000 1.263) 1.263 7.227 ( 0.000 0.000 -0.689) 0.689 7.227 ( 0.000 0.000 0.689) 0.689 7.279 ( 0.000 0.000 -0.309) 0.309 7.279 ( 0.000 0.000 0.309) 0.309 7.609 ( 0.000 0.000 -0.417) 0.417 7.609 ( 0.000 0.000 0.417) 0.417 8.020 ( 0.000 0.000 -0.086) 0.086 8.020 ( 0.000 0.000 0.086) 0.086 8.166 ( 0.000 0.000 -7.070) 7.070 8.166 ( 0.000 0.000 7.070) 7.070 9.520 ( 0.000 0.000 -1.336) 1.336 9.520 ( 0.000 0.000 1.336) 1.336 10.365 ( 0.000 0.000 -1.968) 1.968 10.365 ( 0.000 0.000 1.968) 1.968 10.468 ( 0.000 0.000 -4.661) 4.661 10.468 ( 0.000 0.000 4.661) 4.661 ======================= Grid point 262 (86/105) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.026 0.000 -2.980) 2.980 1.165 ( 0.026 0.000 2.980) 2.980 1.479 ( 3.612 0.000 -9.691) 10.343 1.479 ( 3.612 0.000 9.691) 10.343 1.830 ( -8.976 0.000 -8.223) 12.173 1.830 ( -8.976 0.000 8.223) 12.173 1.988 ( -0.001 0.000 -0.732) 0.732 1.988 ( -0.001 0.000 0.732) 0.732 2.289 ( 3.089 0.000 -10.402) 10.851 2.289 ( 3.089 0.000 10.402) 10.851 2.301 ( 0.007 0.000 -0.039) 0.040 2.301 ( 0.007 0.000 0.039) 0.040 2.841 ( 0.688 0.000 -0.425) 0.808 2.841 ( 0.688 0.000 0.425) 0.808 2.959 ( -0.010 0.000 -0.171) 0.171 2.959 ( -0.010 0.000 0.171) 0.171 3.315 ( 0.768 0.000 -2.056) 2.195 3.315 ( 0.768 0.000 2.056) 2.195 3.410 ( -0.476 0.000 -14.691) 14.699 3.410 ( -0.476 0.000 14.691) 14.699 3.724 ( 2.875 0.000 -1.831) 3.409 3.724 ( 2.875 0.000 1.831) 3.409 4.041 ( -2.005 0.000 -5.572) 5.922 4.041 ( -2.005 0.000 5.572) 5.922 6.490 ( -0.227 0.000 -2.759) 2.769 6.490 ( -0.227 0.000 2.759) 2.769 6.757 ( 0.108 0.000 -2.555) 2.557 6.757 ( 0.108 0.000 2.555) 2.557 6.900 ( -1.033 0.000 -2.272) 2.496 6.900 ( -1.033 0.000 2.272) 2.496 6.977 ( -0.121 0.000 -0.941) 0.949 6.977 ( -0.121 0.000 0.941) 0.949 7.227 ( 0.001 0.000 -0.488) 0.488 7.227 ( 0.001 0.000 0.488) 0.488 7.319 ( 3.451 0.000 -1.815) 3.899 7.319 ( 3.451 0.000 1.815) 3.899 7.580 ( -2.702 0.000 -0.447) 2.738 7.580 ( -2.702 0.000 0.447) 2.738 8.020 ( 0.012 0.000 -0.061) 0.062 8.020 ( 0.012 0.000 0.061) 0.062 8.174 ( 0.618 0.000 -4.865) 4.904 8.174 ( 0.618 0.000 4.865) 4.904 9.524 ( 0.363 0.000 -0.943) 1.010 9.524 ( 0.363 0.000 0.943) 1.010 10.361 ( -0.311 0.000 -1.484) 1.517 10.361 ( -0.311 0.000 1.484) 1.517 10.466 ( -0.172 0.000 -3.349) 3.353 10.466 ( -0.172 0.000 3.349) 3.353 ======================= Grid point 264 (87/105) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 0.000 0.000) 0.000 1.166 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.704 ( -0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 -0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 -0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 4.014 ( -0.000 0.000 -0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 0.000) 0.000 6.758 ( 0.000 0.000 0.000) 0.000 6.758 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 -0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.366 ( -0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.182 ( 0.000 0.000 0.000) 0.000 8.182 ( 0.000 0.000 0.000) 0.000 9.528 ( 0.000 0.000 0.000) 0.000 9.528 ( 0.000 0.000 0.000) 0.000 10.357 ( 0.000 0.000 -0.000) 0.000 10.357 ( 0.000 0.000 0.000) 0.000 10.464 ( 0.000 0.000 0.000) 0.000 10.464 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 270 (88/105) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.000 19.209 -3.242) 19.481 1.398 ( 0.000 19.209 3.242) 19.481 1.472 ( 0.000 2.774 -8.675) 9.108 1.472 ( 0.000 2.774 8.675) 9.108 1.872 ( 0.000 -0.882 -7.426) 7.479 1.872 ( 0.000 -0.882 7.426) 7.479 2.096 ( 0.000 2.607 -4.345) 5.067 2.096 ( 0.000 2.607 4.345) 5.067 2.272 ( 0.000 5.908 -8.252) 10.149 2.272 ( 0.000 5.908 8.252) 10.149 2.346 ( 0.000 3.459 -4.695) 5.832 2.346 ( 0.000 3.459 4.695) 5.832 2.837 ( 0.000 0.705 -0.495) 0.861 2.837 ( 0.000 0.705 0.495) 0.861 2.983 ( 0.000 2.084 -0.590) 2.166 2.983 ( 0.000 2.084 0.590) 2.166 3.307 ( 0.000 0.187 -2.418) 2.425 3.307 ( 0.000 0.187 2.418) 2.425 3.418 ( 0.000 0.360 -20.211) 20.214 3.418 ( 0.000 0.360 20.211) 20.214 3.705 ( 0.000 1.469 -4.212) 4.461 3.705 ( 0.000 1.469 4.212) 4.461 4.033 ( 0.000 -3.012 -6.830) 7.464 4.033 ( 0.000 -3.012 6.830) 7.464 6.496 ( 0.000 0.485 -3.753) 3.784 6.496 ( 0.000 0.485 3.753) 3.784 6.812 ( 0.000 -3.024 -0.353) 3.045 6.812 ( 0.000 -3.024 0.353) 3.045 6.890 ( 0.000 9.675 -2.542) 10.004 6.890 ( 0.000 9.675 2.542) 10.004 7.150 ( 0.000 8.606 -2.362) 8.924 7.150 ( 0.000 8.606 2.362) 8.924 7.231 ( 0.000 0.689 -1.451) 1.606 7.231 ( 0.000 0.689 1.451) 1.606 7.346 ( 0.000 8.450 -1.456) 8.574 7.346 ( 0.000 8.450 1.456) 8.574 7.642 ( 0.000 4.256 -1.443) 4.494 7.642 ( 0.000 4.256 1.443) 4.494 7.991 ( 0.000 -2.253 -1.603) 2.765 7.991 ( 0.000 -2.253 1.603) 2.765 8.240 ( 0.000 6.845 -5.211) 8.603 8.240 ( 0.000 6.845 5.211) 8.603 9.485 ( 0.000 -3.273 -1.127) 3.461 9.485 ( 0.000 -3.273 1.127) 3.461 10.336 ( 0.000 -2.717 -2.208) 3.501 10.336 ( 0.000 -2.717 2.208) 3.501 10.437 ( 0.000 -3.004 -4.533) 5.438 10.437 ( 0.000 -3.004 4.533) 5.438 ======================= Grid point 272 (89/105) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -0.416 17.432 -1.208) 17.479 1.391 ( -0.416 17.432 1.208) 17.479 1.513 ( 4.045 4.267 -7.105) 9.222 1.513 ( 4.045 4.267 7.105) 9.222 1.782 ( -7.745 -0.655 -6.572) 10.178 1.782 ( -7.745 -0.655 6.572) 10.178 2.113 ( 0.986 6.479 -2.759) 7.110 2.113 ( 0.986 6.479 2.759) 7.110 2.290 ( 1.579 2.995 -6.389) 7.231 2.290 ( 1.579 2.995 6.389) 7.231 2.340 ( -0.691 2.617 -3.824) 4.685 2.340 ( -0.691 2.617 3.824) 4.685 2.847 ( 0.821 0.793 -0.593) 1.286 2.847 ( 0.821 0.793 0.593) 1.286 2.980 ( -0.226 1.868 -0.572) 1.967 2.980 ( -0.226 1.868 0.572) 1.967 3.317 ( 0.780 0.226 -1.308) 1.539 3.317 ( 0.780 0.226 1.308) 1.539 3.415 ( -0.205 0.646 -14.115) 14.132 3.415 ( -0.205 0.646 14.115) 14.132 3.733 ( 2.439 0.953 -2.323) 3.501 3.733 ( 2.439 0.953 2.323) 3.501 4.012 ( -1.838 -2.818 -5.723) 6.639 4.012 ( -1.838 -2.818 5.723) 6.639 6.493 ( -0.213 0.515 -2.651) 2.709 6.493 ( -0.213 0.515 2.651) 2.709 6.812 ( 0.041 -3.399 -0.393) 3.422 6.812 ( 0.041 -3.399 0.393) 3.422 6.892 ( 0.196 10.936 -2.198) 11.156 6.892 ( 0.196 10.936 2.198) 11.156 7.110 ( -2.424 5.089 -1.617) 5.864 7.110 ( -2.424 5.089 1.617) 5.864 7.260 ( 1.334 4.168 -1.203) 4.538 7.260 ( 1.334 4.168 1.203) 4.538 7.386 ( 4.078 8.180 -2.018) 9.360 7.386 ( 4.078 8.180 2.018) 9.360 7.604 ( -3.646 3.513 -0.503) 5.088 7.604 ( -3.646 3.513 0.503) 5.088 7.996 ( 0.333 -1.968 -0.973) 2.220 7.996 ( 0.333 -1.968 0.973) 2.220 8.244 ( 0.368 6.649 -3.662) 7.600 8.244 ( 0.368 6.649 3.662) 7.600 9.489 ( 0.323 -3.317 -0.798) 3.427 9.489 ( 0.323 -3.317 0.798) 3.427 10.333 ( -0.256 -2.644 -1.614) 3.108 10.333 ( -0.256 -2.644 1.614) 3.108 10.435 ( -0.138 -2.976 -3.242) 4.403 10.435 ( -0.138 -2.976 3.242) 4.403 ======================= Grid point 274 (90/105) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -0.000 17.018 0.000) 17.018 1.387 ( 0.000 17.018 0.000) 17.018 1.604 ( -0.000 7.319 0.000) 7.319 1.604 ( 0.000 7.319 0.000) 7.319 1.648 ( 0.000 -2.999 -0.000) 2.999 1.648 ( 0.000 -2.999 -0.000) 2.999 2.122 ( -0.000 9.025 0.000) 9.025 2.122 ( 0.000 9.025 0.000) 9.025 2.319 ( -0.000 -0.108 0.000) 0.108 2.319 ( 0.000 -0.108 0.000) 0.108 2.321 ( 0.000 2.958 -0.000) 2.958 2.321 ( -0.000 2.958 -0.000) 2.958 2.857 ( 0.000 0.870 0.000) 0.870 2.857 ( 0.000 0.870 0.000) 0.870 2.977 ( 0.000 1.644 0.000) 1.644 2.977 ( 0.000 1.644 0.000) 1.644 3.326 ( -0.000 0.258 0.000) 0.258 3.326 ( 0.000 0.258 0.000) 0.258 3.413 ( 0.000 0.910 -0.000) 0.910 3.413 ( 0.000 0.910 0.000) 0.910 3.765 ( 0.000 0.426 0.000) 0.426 3.765 ( 0.000 0.426 0.000) 0.426 3.987 ( 0.000 -2.583 0.000) 2.583 3.987 ( 0.000 -2.583 0.000) 2.583 6.491 ( 0.000 0.545 0.000) 0.545 6.491 ( 0.000 0.545 0.000) 0.545 6.813 ( 0.000 -3.822 0.000) 3.822 6.813 ( 0.000 -3.822 0.000) 3.822 6.895 ( -0.000 12.368 -0.000) 12.368 6.895 ( 0.000 12.368 -0.000) 12.368 7.085 ( -0.000 3.412 -0.000) 3.412 7.085 ( 0.000 3.412 -0.000) 3.412 7.271 ( -0.000 5.347 0.000) 5.347 7.271 ( 0.000 5.347 0.000) 5.347 7.455 ( -0.000 10.899 0.000) 10.899 7.455 ( 0.000 10.899 0.000) 10.899 7.541 ( 0.000 0.148 0.000) 0.148 7.541 ( 0.000 0.148 0.000) 0.148 7.999 ( -0.000 -1.718 -0.000) 1.718 7.999 ( 0.000 -1.718 -0.000) 1.718 8.249 ( -0.000 6.458 0.000) 6.458 8.249 ( 0.000 6.458 0.000) 6.458 9.493 ( 0.000 -3.363 0.000) 3.363 9.493 ( 0.000 -3.363 0.000) 3.363 10.330 ( 0.000 -2.565 -0.000) 2.565 10.330 ( 0.000 -2.565 0.000) 2.565 10.433 ( 0.000 -2.952 0.000) 2.952 10.433 ( 0.000 -2.952 0.000) 2.952 ======================= Grid point 280 (91/105) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 4.961 -3.696) 6.186 1.551 ( 0.000 4.961 3.696) 6.186 1.713 ( 0.000 8.869 -2.927) 9.339 1.713 ( 0.000 8.869 2.927) 9.339 1.982 ( 0.000 12.208 -0.611) 12.224 1.982 ( 0.000 12.208 0.611) 12.224 2.091 ( 0.000 -1.176 -4.539) 4.689 2.091 ( 0.000 -1.176 4.539) 4.689 2.395 ( 0.000 4.206 -1.844) 4.592 2.395 ( 0.000 4.206 1.844) 4.592 2.450 ( 0.000 6.298 -2.519) 6.783 2.450 ( 0.000 6.298 2.519) 6.783 2.881 ( 0.000 3.985 -0.345) 4.000 2.881 ( 0.000 3.985 0.345) 4.000 3.029 ( 0.000 2.178 -1.411) 2.595 3.029 ( 0.000 2.178 1.411) 2.595 3.313 ( 0.000 0.413 -1.485) 1.541 3.313 ( 0.000 0.413 1.485) 1.541 3.442 ( 0.000 2.527 -14.412) 14.632 3.442 ( 0.000 2.527 14.412) 14.632 3.755 ( 0.000 3.535 -5.252) 6.331 3.755 ( 0.000 3.535 5.252) 6.331 3.955 ( 0.000 -4.166 -7.324) 8.425 3.955 ( 0.000 -4.166 7.324) 8.425 6.514 ( 0.000 1.287 -3.094) 3.351 6.514 ( 0.000 1.287 3.094) 3.351 6.748 ( 0.000 -2.841 -1.620) 3.270 6.748 ( 0.000 -2.841 1.620) 3.270 7.062 ( 0.000 3.901 -6.109) 7.249 7.062 ( 0.000 3.901 6.109) 7.249 7.235 ( 0.000 1.063 -2.129) 2.380 7.235 ( 0.000 1.063 2.129) 2.380 7.318 ( 0.000 9.552 -0.861) 9.590 7.318 ( 0.000 9.552 0.861) 9.590 7.538 ( 0.000 7.522 -1.365) 7.645 7.538 ( 0.000 7.522 1.365) 7.645 7.861 ( 0.000 15.389 -4.711) 16.094 7.861 ( 0.000 15.389 4.711) 16.094 7.955 ( 0.000 1.451 -1.969) 2.446 7.955 ( 0.000 1.451 1.969) 2.446 8.429 ( 0.000 11.905 -3.470) 12.400 8.429 ( 0.000 11.905 3.470) 12.400 9.402 ( 0.000 -4.674 -0.609) 4.714 9.402 ( 0.000 -4.674 0.609) 4.714 10.267 ( 0.000 -3.856 -2.449) 4.568 10.267 ( 0.000 -3.856 2.449) 4.568 10.356 ( 0.000 -4.854 -4.246) 6.449 10.356 ( 0.000 -4.854 4.246) 6.449 ======================= Grid point 282 (92/105) ======================= q-point: ( 0.25 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 1.822 4.886 -5.488) 7.570 1.567 ( 1.822 4.886 5.488) 7.570 1.689 ( -2.606 6.213 -5.253) 8.543 1.689 ( -2.606 6.213 5.253) 8.543 1.929 ( -3.016 14.533 -4.027) 15.380 1.929 ( -3.016 14.533 4.027) 15.380 2.153 ( 4.218 -0.187 -3.660) 5.587 2.153 ( 4.218 -0.187 3.660) 5.587 2.366 ( -2.500 2.834 -1.443) 4.045 2.366 ( -2.500 2.834 1.443) 4.045 2.456 ( 0.373 7.684 -1.537) 7.845 2.456 ( 0.373 7.684 1.537) 7.845 2.888 ( 0.607 3.610 -0.611) 3.712 2.888 ( 0.607 3.610 0.611) 3.712 3.023 ( -0.504 2.141 -1.273) 2.541 3.023 ( -0.504 2.141 1.273) 2.541 3.326 ( 1.020 0.692 -0.868) 1.507 3.326 ( 1.020 0.692 0.868) 1.507 3.442 ( -0.017 2.227 -10.387) 10.623 3.442 ( -0.017 2.227 10.387) 10.623 3.770 ( 1.362 2.995 -3.310) 4.667 3.770 ( 1.362 2.995 3.310) 4.667 3.941 ( -1.289 -3.784 -5.898) 7.125 3.941 ( -1.289 -3.784 5.898) 7.125 6.512 ( -0.119 1.367 -2.191) 2.585 6.512 ( -0.119 1.367 2.191) 2.585 6.748 ( 0.024 -2.792 -1.160) 3.023 6.748 ( 0.024 -2.792 1.160) 3.023 7.072 ( 0.933 2.095 -5.039) 5.536 7.072 ( 0.933 2.095 5.039) 5.536 7.199 ( -2.561 7.183 -2.953) 8.178 7.199 ( -2.561 7.183 2.953) 8.178 7.348 ( 1.843 5.266 -2.268) 6.023 7.348 ( 1.843 5.266 2.268) 6.023 7.549 ( 0.982 5.535 -1.282) 5.765 7.549 ( 0.982 5.535 1.282) 5.765 7.843 ( -1.526 19.197 -2.979) 19.486 7.843 ( -1.526 19.197 2.979) 19.486 7.959 ( 0.355 -0.353 -1.071) 1.182 7.959 ( 0.355 -0.353 1.071) 1.182 8.429 ( 0.047 11.676 -2.444) 11.929 8.429 ( 0.047 11.676 2.444) 11.929 9.405 ( 0.229 -4.740 -0.438) 4.766 9.405 ( 0.229 -4.740 0.438) 4.766 10.267 ( -0.024 -3.639 -1.829) 4.073 10.267 ( -0.024 -3.639 1.829) 4.073 10.354 ( -0.156 -4.920 -3.094) 5.814 10.354 ( -0.156 -4.920 3.094) 5.814 ======================= Grid point 284 (93/105) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -0.000 7.699 0.000) 7.699 1.617 ( 0.000 7.699 0.000) 7.699 1.628 ( -0.000 1.024 -0.000) 1.024 1.628 ( 0.000 1.024 -0.000) 1.024 1.900 ( 0.000 17.434 0.000) 17.434 1.900 ( 0.000 17.434 0.000) 17.434 2.204 ( -0.000 -0.060 0.000) 0.060 2.204 ( 0.000 -0.060 0.000) 0.060 2.331 ( -0.000 1.935 0.000) 1.935 2.331 ( 0.000 1.935 0.000) 1.935 2.460 ( -0.000 8.505 -0.000) 8.505 2.460 ( 0.000 8.505 0.000) 8.505 2.895 ( 0.000 3.240 0.000) 3.240 2.895 ( 0.000 3.240 0.000) 3.240 3.016 ( 0.000 2.109 -0.000) 2.109 3.016 ( 0.000 2.109 0.000) 2.109 3.338 ( 0.000 1.058 0.000) 1.058 3.338 ( 0.000 1.058 0.000) 1.058 3.441 ( 0.000 1.875 -0.000) 1.875 3.441 ( 0.000 1.875 0.000) 1.875 3.789 ( 0.000 2.372 0.000) 2.372 3.789 ( 0.000 2.372 0.000) 2.372 3.923 ( 0.000 -3.340 0.000) 3.340 3.923 ( 0.000 -3.340 0.000) 3.340 6.511 ( 0.000 1.450 0.000) 1.450 6.511 ( 0.000 1.450 0.000) 1.450 6.749 ( 0.000 -2.754 0.000) 2.754 6.749 ( 0.000 -2.754 0.000) 2.754 7.086 ( -0.000 -1.597 0.000) 1.597 7.086 ( 0.000 -1.597 0.000) 1.597 7.168 ( -0.000 12.576 -0.000) 12.576 7.168 ( 0.000 12.576 -0.000) 12.576 7.367 ( -0.000 3.788 0.000) 3.788 7.367 ( 0.000 3.788 0.000) 3.788 7.562 ( 0.000 2.731 -0.000) 2.731 7.562 ( 0.000 2.731 0.000) 2.731 7.824 ( -0.000 23.185 0.000) 23.185 7.824 ( 0.000 23.185 0.000) 23.185 7.963 ( 0.000 -1.712 -0.000) 1.712 7.963 ( 0.000 -1.712 0.000) 1.712 8.430 ( -0.000 11.450 -0.000) 11.450 8.430 ( 0.000 11.450 -0.000) 11.450 9.408 ( 0.000 -4.808 0.000) 4.808 9.408 ( 0.000 -4.808 0.000) 4.808 10.267 ( 0.000 -3.412 -0.000) 3.412 10.267 ( 0.000 -3.412 0.000) 3.412 10.352 ( 0.000 -4.996 -0.000) 4.996 10.352 ( 0.000 -4.996 0.000) 4.996 ======================= Grid point 290 (94/105) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 5.276 -2.029) 5.653 1.656 ( 0.000 5.276 2.029) 5.653 1.840 ( 0.000 5.958 -4.578) 7.514 1.840 ( 0.000 5.958 4.578) 7.514 2.077 ( 0.000 0.036 -1.129) 1.130 2.077 ( 0.000 0.036 1.129) 1.130 2.185 ( 0.000 5.811 -3.886) 6.991 2.185 ( 0.000 5.811 3.886) 6.991 2.487 ( 0.000 4.857 -2.268) 5.361 2.487 ( 0.000 4.857 2.268) 5.361 2.529 ( 0.000 2.282 -3.827) 4.456 2.529 ( 0.000 2.282 3.827) 4.456 2.969 ( 0.000 3.648 -0.051) 3.648 2.969 ( 0.000 3.648 0.051) 3.648 3.058 ( 0.000 0.632 -2.916) 2.984 3.058 ( 0.000 0.632 2.916) 2.984 3.311 ( 0.000 -0.985 -3.478) 3.615 3.311 ( 0.000 -0.985 3.478) 3.615 3.544 ( 0.000 7.906 -2.942) 8.435 3.544 ( 0.000 7.906 2.942) 8.435 3.776 ( 0.000 -3.377 -0.903) 3.496 3.776 ( 0.000 -3.377 0.903) 3.496 3.961 ( 0.000 7.324 -1.293) 7.437 3.961 ( 0.000 7.324 1.293) 7.437 6.544 ( 0.000 1.694 -2.277) 2.838 6.544 ( 0.000 1.694 2.277) 2.838 6.700 ( 0.000 -1.914 -1.782) 2.615 6.700 ( 0.000 -1.914 1.782) 2.615 7.077 ( 0.000 -0.802 -5.604) 5.661 7.077 ( 0.000 -0.802 5.604) 5.661 7.243 ( 0.000 -0.200 -2.206) 2.215 7.243 ( 0.000 -0.200 2.206) 2.215 7.480 ( 0.000 4.983 -0.465) 5.005 7.480 ( 0.000 4.983 0.465) 5.005 7.714 ( 0.000 11.105 -1.464) 11.201 7.714 ( 0.000 11.105 1.464) 11.201 7.882 ( 0.000 -2.404 -2.451) 3.433 7.882 ( 0.000 -2.404 2.451) 3.433 8.290 ( 0.000 18.651 -4.910) 19.286 8.290 ( 0.000 18.651 4.910) 19.286 8.693 ( 0.000 13.760 -1.501) 13.841 8.693 ( 0.000 13.760 1.501) 13.841 9.317 ( 0.000 -3.389 -0.105) 3.390 9.317 ( 0.000 -3.389 0.105) 3.390 10.190 ( 0.000 -4.015 -2.226) 4.590 10.190 ( 0.000 -4.015 2.226) 4.590 10.256 ( 0.000 -4.785 -3.832) 6.130 10.256 ( 0.000 -4.785 3.832) 6.130 ======================= Grid point 292 (95/105) ======================= q-point: ( 0.25 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 0.786 4.704 -3.132) 5.705 1.664 ( 0.786 4.704 3.132) 5.705 1.806 ( -2.856 6.391 -4.735) 8.452 1.806 ( -2.856 6.391 4.735) 8.452 2.107 ( 2.371 1.940 -5.140) 5.984 2.107 ( 2.371 1.940 5.140) 5.984 2.184 ( -0.064 3.647 -7.778) 8.590 2.184 ( -0.064 3.647 7.778) 8.590 2.447 ( -2.602 5.166 -2.952) 6.494 2.447 ( -2.602 5.166 2.952) 6.494 2.557 ( 1.485 2.650 -2.136) 3.713 2.557 ( 1.485 2.650 2.136) 3.713 2.970 ( 0.089 3.571 -0.228) 3.579 2.970 ( 0.089 3.571 0.228) 3.579 3.057 ( -0.109 1.151 -2.019) 2.326 3.057 ( -0.109 1.151 2.019) 2.326 3.332 ( 1.948 -0.600 -3.412) 3.974 3.332 ( 1.948 -0.600 3.412) 3.974 3.508 ( -3.030 3.693 -3.917) 6.178 3.508 ( -3.030 3.693 3.917) 6.178 3.816 ( 3.523 0.578 -3.133) 4.750 3.816 ( 3.523 0.578 3.133) 4.750 3.942 ( -2.003 6.545 -1.863) 7.094 3.942 ( -2.003 6.545 1.863) 7.094 6.545 ( 0.054 1.831 -1.650) 2.466 6.545 ( 0.054 1.831 1.650) 2.466 6.701 ( 0.047 -1.946 -1.299) 2.340 6.701 ( 0.047 -1.946 1.299) 2.340 7.062 ( -1.087 -1.341 -3.408) 3.821 7.062 ( -1.087 -1.341 3.408) 3.821 7.276 ( 2.796 0.785 -1.036) 3.084 7.276 ( 2.796 0.785 1.036) 3.084 7.462 ( -1.753 4.327 -0.600) 4.707 7.462 ( -1.753 4.327 0.600) 4.707 7.694 ( -1.409 9.088 -1.305) 9.289 7.694 ( -1.409 9.088 1.305) 9.289 7.914 ( 2.422 -0.589 -1.836) 3.096 7.914 ( 2.422 -0.589 1.836) 3.096 8.282 ( -0.730 19.279 -3.668) 19.638 8.282 ( -0.730 19.279 3.668) 19.638 8.687 ( -0.435 13.431 -1.151) 13.488 8.687 ( -0.435 13.431 1.151) 13.488 9.318 ( 0.076 -3.540 -0.083) 3.541 9.318 ( 0.076 -3.540 0.083) 3.541 10.196 ( 0.578 -3.552 -2.148) 4.191 10.196 ( 0.578 -3.552 2.148) 4.191 10.251 ( -0.490 -5.070 -3.242) 6.038 10.251 ( -0.490 -5.070 3.242) 6.038 ======================= Grid point 294 (96/105) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 0.000 3.432 -0.000) 3.432 1.677 ( 0.000 3.432 0.000) 3.432 1.769 ( 0.000 7.695 -0.000) 7.695 1.769 ( -0.000 7.695 0.000) 7.695 2.136 ( 0.000 6.016 -0.000) 6.016 2.136 ( 0.000 6.016 0.000) 6.016 2.184 ( 0.000 -1.139 -0.000) 1.139 2.184 ( 0.000 -1.139 0.000) 1.139 2.417 ( 0.000 6.102 -0.000) 6.102 2.417 ( 0.000 6.102 0.000) 6.102 2.572 ( 0.000 2.669 0.000) 2.669 2.572 ( 0.000 2.669 0.000) 2.669 2.971 ( 0.000 3.478 0.000) 3.478 2.971 ( 0.000 3.478 0.000) 3.478 3.056 ( 0.000 1.647 -0.000) 1.647 3.056 ( 0.000 1.647 0.000) 1.647 3.361 ( 0.000 0.795 -0.000) 0.795 3.361 ( -0.000 0.795 0.000) 0.795 3.467 ( 0.000 -0.338 0.000) 0.338 3.467 ( 0.000 -0.338 0.000) 0.338 3.881 ( -0.000 7.385 -0.000) 7.385 3.881 ( 0.000 7.385 -0.000) 7.385 3.893 ( -0.000 1.762 0.000) 1.762 3.893 ( 0.000 1.762 0.000) 1.762 6.546 ( 0.000 1.972 0.000) 1.972 6.546 ( 0.000 1.972 0.000) 1.972 6.701 ( 0.000 -1.984 0.000) 1.984 6.701 ( 0.000 -1.984 0.000) 1.984 7.050 ( 0.000 -1.725 0.000) 1.725 7.050 ( 0.000 -1.725 0.000) 1.725 7.313 ( 0.000 1.967 -0.000) 1.967 7.313 ( 0.000 1.967 0.000) 1.967 7.435 ( 0.000 3.288 0.000) 3.288 7.435 ( 0.000 3.288 0.000) 3.288 7.679 ( 0.000 8.026 0.000) 8.026 7.679 ( 0.000 8.026 0.000) 8.026 7.942 ( 0.000 0.186 0.000) 0.186 7.942 ( 0.000 0.186 0.000) 0.186 8.272 ( 0.000 20.027 0.000) 20.027 8.272 ( 0.000 20.027 0.000) 20.027 8.682 ( 0.000 13.098 0.000) 13.098 8.682 ( 0.000 13.098 0.000) 13.098 9.319 ( 0.000 -3.689 0.000) 3.689 9.319 ( 0.000 -3.689 0.000) 3.689 10.204 ( 0.000 -2.784 -0.000) 2.784 10.204 ( 0.000 -2.784 0.000) 2.784 10.244 ( 0.000 -5.661 -0.000) 5.661 10.244 ( 0.000 -5.661 0.000) 5.661 ======================= Grid point 300 (97/105) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.000 4.420 -3.517) 5.648 1.753 ( 0.000 4.420 3.517) 5.648 1.961 ( 0.000 5.831 -4.412) 7.312 1.961 ( 0.000 5.831 4.412) 7.312 2.095 ( 0.000 1.675 -4.166) 4.490 2.095 ( 0.000 1.675 4.166) 4.490 2.242 ( 0.000 1.185 -2.095) 2.407 2.242 ( 0.000 1.185 2.095) 2.407 2.538 ( 0.000 0.987 -4.624) 4.728 2.538 ( 0.000 0.987 4.624) 4.728 2.581 ( 0.000 2.063 -2.123) 2.960 2.581 ( 0.000 2.063 2.123) 2.960 2.996 ( 0.000 -1.034 -1.319) 1.676 2.996 ( 0.000 -1.034 1.319) 1.676 3.061 ( 0.000 0.166 -2.456) 2.461 3.061 ( 0.000 0.166 2.456) 2.461 3.276 ( 0.000 -2.263 -3.694) 4.332 3.276 ( 0.000 -2.263 3.694) 4.332 3.609 ( 0.000 -5.037 -5.948) 7.795 3.609 ( 0.000 -5.037 5.948) 7.795 3.816 ( 0.000 11.021 -2.575) 11.318 3.816 ( 0.000 11.021 2.575) 11.318 4.168 ( 0.000 11.655 -1.159) 11.713 4.168 ( 0.000 11.655 1.159) 11.713 6.575 ( 0.000 1.211 -1.693) 2.082 6.575 ( 0.000 1.211 1.693) 2.082 6.674 ( 0.000 -0.628 -1.856) 1.959 6.674 ( 0.000 -0.628 1.856) 1.959 7.059 ( 0.000 -0.704 -5.103) 5.152 7.059 ( 0.000 -0.704 5.103) 5.152 7.228 ( 0.000 -1.293 -2.078) 2.447 7.228 ( 0.000 -1.293 2.078) 2.447 7.548 ( 0.000 2.687 -0.842) 2.816 7.548 ( 0.000 2.687 0.842) 2.816 7.832 ( 0.000 -2.582 -1.295) 2.889 7.832 ( 0.000 -2.582 1.295) 2.889 7.945 ( 0.000 11.446 -0.249) 11.449 7.945 ( 0.000 11.446 0.249) 11.449 8.570 ( 0.000 8.886 -5.050) 10.221 8.570 ( 0.000 8.886 5.050) 10.221 8.936 ( 0.000 9.798 -0.091) 9.799 8.936 ( 0.000 9.798 0.091) 9.799 9.285 ( 0.000 0.445 -0.171) 0.477 9.285 ( 0.000 0.445 0.171) 0.477 10.103 ( 0.000 -4.497 -2.044) 4.940 10.103 ( 0.000 -4.497 2.044) 4.940 10.181 ( 0.000 -2.742 -2.739) 3.876 10.181 ( 0.000 -2.742 2.739) 3.876 ======================= Grid point 302 (98/105) ======================= q-point: ( 0.25 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -0.149 4.091 -2.677) 4.891 1.751 ( -0.149 4.091 2.677) 4.891 1.935 ( -1.864 6.183 -3.783) 7.484 1.935 ( -1.864 6.183 3.783) 7.484 2.132 ( 3.062 1.599 -2.939) 4.535 2.132 ( 3.062 1.600 2.939) 4.535 2.230 ( -1.204 1.305 -2.317) 2.919 2.230 ( -1.204 1.305 2.317) 2.919 2.526 ( -0.914 2.389 -2.987) 3.932 2.526 ( -0.914 2.389 2.987) 3.932 2.586 ( 0.324 0.575 -1.020) 1.215 2.586 ( 0.324 0.575 1.020) 1.215 3.006 ( 0.767 0.041 -0.458) 0.894 3.006 ( 0.767 0.041 0.458) 0.894 3.066 ( 0.452 -0.071 -2.191) 2.239 3.066 ( 0.452 -0.071 2.191) 2.239 3.298 ( 2.390 -2.522 -3.839) 5.178 3.298 ( 2.390 -2.522 3.839) 5.178 3.514 ( -7.073 -3.488 -5.025) 9.351 3.514 ( -7.073 -3.488 5.025) 9.351 3.910 ( 6.974 9.350 -2.994) 12.043 3.910 ( 6.974 9.350 2.994) 12.043 4.138 ( -3.077 11.342 -1.587) 11.859 4.138 ( -3.077 11.342 1.587) 11.859 6.580 ( 0.411 1.508 -1.343) 2.061 6.580 ( 0.411 1.508 1.343) 2.061 6.672 ( -0.186 -0.876 -1.453) 1.707 6.672 ( -0.186 -0.876 1.453) 1.707 7.040 ( -1.361 -0.643 -3.149) 3.491 7.040 ( -1.361 -0.643 3.149) 3.491 7.262 ( 2.774 -1.857 -1.456) 3.642 7.262 ( 2.774 -1.857 1.456) 3.642 7.528 ( -1.849 2.935 -1.137) 3.650 7.528 ( -1.849 2.935 1.137) 3.650 7.802 ( -1.852 0.279 -0.845) 2.055 7.802 ( -1.852 0.279 0.845) 2.055 7.987 ( 2.849 8.746 -0.865) 9.239 7.987 ( 2.849 8.746 0.865) 9.239 8.571 ( 0.006 9.075 -3.765) 9.825 8.571 ( 0.006 9.075 3.765) 9.825 8.929 ( -0.622 10.123 -0.451) 10.152 8.929 ( -0.622 10.123 0.451) 10.152 9.278 ( -0.531 -0.298 -0.250) 0.658 9.278 ( -0.531 -0.298 0.250) 0.658 10.117 ( 1.269 -4.277 -2.208) 4.978 10.117 ( 1.269 -4.277 2.208) 4.978 10.173 ( -0.840 -2.707 -2.650) 3.880 10.173 ( -0.840 -2.707 2.650) 3.880 ======================= Grid point 304 (99/105) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.000 3.710 -0.000) 3.710 1.749 ( 0.000 3.710 -0.000) 3.710 1.914 ( -0.000 6.686 0.000) 6.686 1.914 ( 0.000 6.686 0.000) 6.686 2.180 ( -0.000 0.973 -0.000) 0.973 2.180 ( -0.000 0.973 0.000) 0.973 2.203 ( 0.000 1.862 -0.000) 1.862 2.203 ( 0.000 1.862 0.000) 1.862 2.515 ( 0.000 3.241 0.000) 3.241 2.515 ( 0.000 3.241 0.000) 3.241 2.589 ( 0.000 -0.332 -0.000) 0.332 2.589 ( 0.000 -0.332 -0.000) 0.332 3.015 ( -0.000 0.990 -0.000) 0.990 3.015 ( 0.000 0.990 0.000) 0.990 3.072 ( 0.000 -0.130 0.000) 0.130 3.072 ( 0.000 -0.130 0.000) 0.130 3.352 ( -0.000 -1.742 -0.000) 1.742 3.352 ( 0.000 -1.742 -0.000) 1.742 3.409 ( -0.000 -4.752 -0.000) 4.752 3.409 ( 0.000 -4.752 0.000) 4.752 4.013 ( -0.000 9.349 -0.000) 9.349 4.013 ( 0.000 9.349 -0.000) 9.349 4.074 ( -0.000 11.065 0.000) 11.065 4.074 ( 0.000 11.065 0.000) 11.065 6.585 ( -0.000 1.869 -0.000) 1.869 6.585 ( 0.000 1.869 0.000) 1.869 6.670 ( 0.000 -1.188 0.000) 1.188 6.670 ( 0.000 -1.188 0.000) 1.188 7.025 ( 0.000 -0.622 0.000) 0.622 7.025 ( 0.000 -0.622 0.000) 0.622 7.297 ( 0.000 -2.700 0.000) 2.700 7.297 ( 0.000 -2.700 0.000) 2.700 7.502 ( 0.000 3.524 0.000) 3.524 7.502 ( 0.000 3.524 0.000) 3.524 7.784 ( 0.000 1.281 0.000) 1.281 7.784 ( 0.000 1.281 0.000) 1.281 8.018 ( -0.000 7.871 0.000) 7.871 8.018 ( 0.000 7.871 0.000) 7.871 8.571 ( -0.000 9.284 -0.000) 9.284 8.571 ( 0.000 9.284 -0.000) 9.284 8.921 ( -0.000 10.419 0.000) 10.419 8.921 ( 0.000 10.419 0.000) 10.419 9.272 ( 0.000 -1.014 0.000) 1.014 9.272 ( 0.000 -1.014 0.000) 1.014 10.138 ( 0.000 -4.611 -0.000) 4.611 10.138 ( -0.000 -4.611 0.000) 4.611 10.156 ( 0.000 -2.129 -0.000) 2.129 10.156 ( 0.000 -2.129 0.000) 2.129 ======================= Grid point 310 (100/105) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 4.245 -1.384) 4.465 1.837 ( 0.000 4.245 1.384) 4.465 2.051 ( 0.000 2.378 -4.474) 5.067 2.051 ( 0.000 2.378 4.474) 5.067 2.135 ( 0.000 2.293 -3.523) 4.203 2.135 ( 0.000 2.293 3.523) 4.203 2.263 ( 0.000 1.314 -1.279) 1.833 2.263 ( 0.000 1.314 1.279) 1.833 2.557 ( 0.000 0.966 -3.646) 3.771 2.557 ( 0.000 0.966 3.646) 3.771 2.591 ( 0.000 -0.713 -3.503) 3.575 2.591 ( 0.000 -0.713 3.503) 3.575 2.954 ( 0.000 -2.309 -3.058) 3.832 2.954 ( 0.000 -2.309 3.058) 3.832 3.069 ( 0.000 0.489 -1.150) 1.249 3.069 ( 0.000 0.489 1.150) 1.249 3.231 ( 0.000 -2.112 -2.750) 3.468 3.231 ( 0.000 -2.112 2.750) 3.468 3.485 ( 0.000 -6.099 -3.512) 7.038 3.485 ( 0.000 -6.099 3.512) 7.038 4.048 ( 0.000 10.525 -0.183) 10.526 4.048 ( 0.000 10.525 0.183) 10.526 4.384 ( 0.000 9.288 -0.954) 9.337 4.384 ( 0.000 9.288 0.954) 9.337 6.590 ( 0.000 0.312 -0.928) 0.979 6.590 ( 0.000 0.312 0.928) 0.979 6.673 ( 0.000 0.283 -1.185) 1.218 6.673 ( 0.000 0.283 1.185) 1.218 7.054 ( 0.000 0.251 -3.924) 3.932 7.054 ( 0.000 0.251 3.924) 3.932 7.194 ( 0.000 -1.882 -1.155) 2.209 7.194 ( 0.000 -1.882 1.155) 2.209 7.600 ( 0.000 2.576 -1.439) 2.951 7.600 ( 0.000 2.576 1.439) 2.951 7.780 ( 0.000 -2.631 -0.090) 2.632 7.780 ( 0.000 -2.631 0.090) 2.632 8.160 ( 0.000 9.964 -0.240) 9.967 8.160 ( 0.000 9.964 0.240) 9.967 8.647 ( 0.000 -0.584 -3.393) 3.443 8.647 ( 0.000 -0.584 3.393) 3.443 9.071 ( 0.000 4.235 -0.099) 4.236 9.071 ( 0.000 4.235 0.099) 4.236 9.328 ( 0.000 3.031 -0.532) 3.077 9.328 ( 0.000 3.031 0.532) 3.077 10.025 ( 0.000 -3.065 -1.374) 3.358 10.025 ( 0.000 -3.065 1.374) 3.358 10.138 ( 0.000 -1.697 -1.593) 2.327 10.138 ( 0.000 -1.697 1.593) 2.327 ======================= Grid point 312 (101/105) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -0.246 4.515 -0.986) 4.628 1.834 ( -0.246 4.515 0.986) 4.628 2.036 ( -1.006 3.492 -2.829) 4.605 2.036 ( -1.006 3.492 2.829) 4.605 2.165 ( 2.566 1.260 -3.910) 4.843 2.165 ( 2.566 1.260 3.910) 4.843 2.251 ( -1.253 1.031 -1.687) 2.341 2.251 ( -1.253 1.031 1.687) 2.341 2.557 ( -0.020 1.072 -3.467) 3.629 2.557 ( -0.020 1.072 3.467) 3.629 2.583 ( -0.662 -0.687 -3.226) 3.364 2.583 ( -0.662 -0.687 3.226) 3.364 2.983 ( 2.589 -1.789 -2.138) 3.804 2.983 ( 2.589 -1.789 2.138) 3.804 3.065 ( -0.499 0.012 -1.204) 1.303 3.065 ( -0.499 0.012 1.204) 1.303 3.246 ( 1.770 -2.397 -2.679) 4.007 3.246 ( 1.770 -2.397 2.679) 4.007 3.419 ( -5.819 -4.997 -2.954) 8.220 3.419 ( -5.819 -4.997 2.954) 8.220 4.116 ( 5.995 9.795 -0.887) 11.518 4.116 ( 5.995 9.795 0.887) 11.518 4.350 ( -3.447 9.164 -1.020) 9.844 4.350 ( -3.447 9.164 1.020) 9.844 6.601 ( 1.046 0.579 -0.927) 1.513 6.601 ( 1.046 0.579 0.927) 1.513 6.665 ( -0.759 0.050 -1.100) 1.337 6.665 ( -0.759 0.050 1.100) 1.337 7.041 ( -1.012 0.762 -2.586) 2.879 7.041 ( -1.012 0.762 2.586) 2.879 7.211 ( 1.267 -3.049 -0.836) 3.406 7.211 ( 1.267 -3.049 0.836) 3.406 7.588 ( -1.008 3.125 -1.396) 3.568 7.588 ( -1.008 3.125 1.396) 3.568 7.773 ( -0.515 -2.291 -0.032) 2.349 7.773 ( -0.515 -2.291 0.032) 2.349 8.183 ( 1.870 9.899 -0.411) 10.082 8.183 ( 1.870 9.899 0.411) 10.082 8.646 ( -0.091 -0.863 -2.529) 2.674 8.646 ( -0.091 -0.863 2.529) 2.674 9.080 ( 0.780 5.229 -0.221) 5.292 9.080 ( 0.780 5.229 0.221) 5.292 9.298 ( -2.474 1.739 -0.792) 3.126 9.298 ( -2.474 1.739 0.792) 3.126 10.045 ( 1.755 -2.640 -1.408) 3.469 10.045 ( 1.755 -2.640 1.408) 3.469 10.130 ( -0.852 -1.793 -1.496) 2.486 10.130 ( -0.852 -1.793 1.496) 2.486 ======================= Grid point 314 (102/105) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.000 4.796 0.000) 4.796 1.831 ( 0.000 4.796 0.000) 4.796 2.026 ( -0.000 4.151 -0.000) 4.151 2.026 ( 0.000 4.151 0.000) 4.151 2.214 ( 0.000 1.901 -0.000) 1.901 2.214 ( -0.000 1.901 0.000) 1.901 2.217 ( -0.000 -0.503 -0.000) 0.503 2.217 ( 0.000 -0.503 0.000) 0.503 2.556 ( 0.000 1.276 0.000) 1.276 2.556 ( -0.000 1.276 0.000) 1.276 2.575 ( 0.000 -0.741 -0.000) 0.741 2.575 ( 0.000 -0.741 -0.000) 0.741 3.021 ( -0.000 -0.090 0.000) 0.090 3.021 ( -0.000 -0.090 0.000) 0.090 3.053 ( 0.000 -1.568 0.000) 1.568 3.053 ( 0.000 -1.568 0.000) 1.568 3.303 ( -0.000 -2.798 0.000) 2.798 3.303 ( 0.000 -2.798 0.000) 2.798 3.314 ( -0.000 -4.189 -0.000) 4.189 3.314 ( 0.000 -4.189 0.000) 4.189 4.214 ( -0.000 9.735 -0.000) 9.735 4.214 ( 0.000 9.735 -0.000) 9.735 4.280 ( -0.000 8.706 0.000) 8.706 4.280 ( 0.000 8.706 0.000) 8.706 6.617 ( -0.000 1.261 -0.000) 1.261 6.617 ( 0.000 1.261 0.000) 1.261 6.653 ( 0.000 -0.597 0.000) 0.597 6.653 ( 0.000 -0.597 0.000) 0.597 7.030 ( 0.000 1.119 0.000) 1.119 7.030 ( 0.000 1.119 0.000) 1.119 7.226 ( 0.000 -4.143 -0.000) 4.143 7.226 ( 0.000 -4.143 0.000) 4.143 7.575 ( 0.000 3.765 0.000) 3.765 7.575 ( 0.000 3.765 0.000) 3.765 7.768 ( -0.000 -2.036 0.000) 2.036 7.768 ( 0.000 -2.036 0.000) 2.036 8.205 ( -0.000 9.936 0.000) 9.936 8.205 ( 0.000 9.936 0.000) 9.936 8.644 ( -0.000 -1.175 -0.000) 1.175 8.644 ( 0.000 -1.175 0.000) 1.175 9.091 ( -0.000 6.745 0.000) 6.745 9.091 ( 0.000 6.745 0.000) 6.745 9.267 ( -0.000 -0.031 0.000) 0.031 9.267 ( 0.000 -0.031 0.000) 0.031 10.070 ( 0.000 -2.108 0.000) 2.108 10.070 ( 0.000 -2.108 0.000) 2.108 10.115 ( 0.000 -2.034 0.000) 2.034 10.115 ( 0.000 -2.034 0.000) 2.034 ======================= Grid point 320 (103/105) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.000 3.995 -0.383) 4.013 1.924 ( 0.000 3.995 0.383) 4.013 2.041 ( 0.000 -2.456 -0.138) 2.460 2.041 ( 0.000 -2.456 0.138) 2.460 2.182 ( 0.000 1.701 -0.694) 1.837 2.182 ( 0.000 1.701 0.694) 1.837 2.290 ( 0.000 0.916 -0.737) 1.175 2.290 ( 0.000 0.916 0.737) 1.175 2.565 ( 0.000 -0.431 -0.558) 0.705 2.565 ( 0.000 -0.431 0.558) 0.705 2.578 ( 0.000 0.051 -2.587) 2.588 2.578 ( 0.000 0.051 2.587) 2.588 2.923 ( 0.000 -0.722 -1.372) 1.550 2.923 ( 0.000 -0.722 1.372) 1.550 3.078 ( 0.000 0.328 -0.644) 0.723 3.078 ( 0.000 0.328 0.644) 0.723 3.199 ( 0.000 -0.925 -1.218) 1.529 3.199 ( 0.000 -0.925 1.218) 1.529 3.392 ( 0.000 -2.744 -1.260) 3.020 3.392 ( 0.000 -2.744 1.260) 3.020 4.199 ( 0.000 4.091 -0.077) 4.091 4.199 ( 0.000 4.091 0.077) 4.091 4.515 ( 0.000 3.497 -0.362) 3.516 4.515 ( 0.000 3.497 0.362) 3.516 6.592 ( 0.000 0.032 -0.242) 0.244 6.592 ( 0.000 0.032 0.242) 0.244 6.678 ( 0.000 0.170 -0.324) 0.366 6.678 ( 0.000 0.170 0.324) 0.366 7.064 ( 0.000 0.511 -1.676) 1.752 7.064 ( 0.000 0.511 1.676) 1.752 7.161 ( 0.000 -1.117 -0.131) 1.125 7.161 ( 0.000 -1.117 0.131) 1.125 7.647 ( 0.000 1.907 -1.075) 2.189 7.647 ( 0.000 1.907 1.075) 2.189 7.732 ( 0.000 -1.912 -0.530) 1.984 7.732 ( 0.000 -1.912 0.530) 1.984 8.328 ( 0.000 6.092 -0.411) 6.106 8.328 ( 0.000 6.092 0.411) 6.106 8.589 ( 0.000 -3.657 -1.379) 3.908 8.589 ( 0.000 -3.657 1.379) 3.908 9.124 ( 0.000 1.241 -0.211) 1.259 9.124 ( 0.000 1.241 0.211) 1.259 9.374 ( 0.000 1.277 -0.355) 1.325 9.374 ( 0.000 1.277 0.355) 1.325 9.985 ( 0.000 -0.958 -0.429) 1.050 9.985 ( 0.000 -0.958 0.429) 1.050 10.113 ( 0.000 -0.696 -0.539) 0.880 10.113 ( 0.000 -0.696 0.539) 0.880 ======================= Grid point 322 (104/105) ======================= q-point: ( 0.25 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.812 5.034 -0.150) 5.101 1.933 ( 0.812 5.034 0.150) 5.101 2.044 ( 0.247 -2.689 -0.286) 2.716 2.044 ( 0.247 -2.689 0.286) 2.716 2.190 ( 0.860 1.250 -1.066) 1.854 2.190 ( 0.860 1.250 1.066) 1.854 2.268 ( -2.030 0.386 -1.230) 2.404 2.268 ( -2.030 0.386 1.230) 2.404 2.566 ( 0.120 -0.198 -1.093) 1.118 2.566 ( 0.120 -0.198 1.093) 1.118 2.575 ( -0.234 0.190 -2.280) 2.300 2.575 ( -0.234 0.190 2.280) 2.300 2.955 ( 3.076 -0.759 -1.140) 3.367 2.955 ( 3.076 -0.759 1.140) 3.367 3.066 ( -1.367 0.072 -0.600) 1.494 3.066 ( -1.367 0.072 0.600) 1.494 3.211 ( 1.362 -0.979 -1.088) 2.000 3.211 ( 1.362 -0.979 1.088) 2.000 3.341 ( -4.489 -2.275 -1.011) 5.133 3.341 ( -4.489 -2.275 1.011) 5.133 4.259 ( 5.575 3.948 -0.231) 6.835 4.259 ( 5.575 3.948 0.231) 6.835 4.479 ( -3.667 3.438 -0.369) 5.040 4.479 ( -3.667 3.438 0.369) 5.040 6.606 ( 1.396 0.097 -0.277) 1.427 6.606 ( 1.396 0.097 0.277) 1.427 6.668 ( -1.057 0.126 -0.326) 1.113 6.668 ( -1.057 0.126 0.326) 1.113 7.067 ( 0.227 1.501 -1.381) 2.052 7.067 ( 0.227 1.501 1.381) 2.052 7.152 ( -0.826 -2.402 -0.324) 2.561 7.152 ( -0.826 -2.402 0.324) 2.561 7.648 ( 0.082 2.678 -1.041) 2.874 7.648 ( 0.082 2.678 1.041) 2.874 7.724 ( -0.658 -2.387 -0.574) 2.542 7.724 ( -0.658 -2.387 0.574) 2.542 8.360 ( 2.757 7.089 -0.447) 7.620 8.360 ( 2.757 7.089 0.447) 7.620 8.576 ( -1.235 -4.716 -1.133) 5.004 8.576 ( -1.235 -4.716 1.133) 5.004 9.147 ( 2.403 1.648 -0.328) 2.932 9.147 ( 2.403 1.648 0.328) 2.932 9.325 ( -4.453 0.724 -0.529) 4.542 9.325 ( -4.453 0.724 0.529) 4.542 10.013 ( 2.484 -0.677 -0.520) 2.626 10.013 ( 2.484 -0.677 0.520) 2.626 10.102 ( -1.174 -0.813 -0.545) 1.528 10.102 ( -1.174 -0.813 0.545) 1.528 ======================= Grid point 324 (105/105) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.000 6.195 0.000) 6.195 1.943 ( 0.000 6.195 0.000) 6.195 2.047 ( -0.000 -2.869 0.000) 2.869 2.047 ( 0.000 -2.869 0.000) 2.869 2.211 ( -0.000 0.868 -0.000) 0.868 2.211 ( 0.000 0.868 0.000) 0.868 2.233 ( 0.000 -0.380 0.000) 0.380 2.233 ( -0.000 -0.380 0.000) 0.380 2.569 ( 0.000 0.141 -0.000) 0.141 2.569 ( -0.000 0.141 0.000) 0.141 2.571 ( -0.000 0.201 -0.000) 0.201 2.571 ( 0.000 0.201 0.000) 0.201 3.018 ( -0.000 -0.085 0.000) 0.085 3.018 ( 0.000 -0.085 0.000) 0.085 3.025 ( -0.000 -0.924 0.000) 0.924 3.025 ( 0.000 -0.924 -0.000) 0.924 3.257 ( -0.001 -1.428 -0.000) 1.428 3.257 ( 0.001 -1.428 0.000) 1.428 3.258 ( -0.001 -1.420 0.000) 1.420 3.258 ( 0.001 -1.420 -0.000) 1.420 4.366 ( -0.000 4.924 0.000) 4.924 4.366 ( 0.000 4.924 -0.000) 4.924 4.394 ( -0.000 2.310 0.000) 2.310 4.394 ( 0.000 2.310 0.000) 2.310 6.635 ( -0.000 0.606 -0.000) 0.606 6.635 ( 0.000 0.606 0.000) 0.606 6.644 ( -0.000 -0.361 0.000) 0.361 6.644 ( 0.000 -0.361 0.000) 0.361 7.070 ( 0.000 2.908 0.000) 2.908 7.070 ( 0.000 2.908 0.000) 2.908 7.141 ( 0.000 -4.097 0.000) 4.097 7.141 ( 0.000 -4.097 0.000) 4.097 7.649 ( -0.000 3.601 0.000) 3.601 7.649 ( 0.000 3.601 0.000) 3.601 7.716 ( -0.000 -3.032 0.000) 3.032 7.716 ( 0.000 -3.032 0.000) 3.032 8.396 ( -0.000 9.093 0.000) 9.093 8.396 ( 0.000 9.093 0.000) 9.093 8.558 ( -0.000 -6.772 0.000) 6.772 8.558 ( 0.000 -6.772 0.000) 6.772 9.196 ( -0.000 3.960 -0.000) 3.960 9.196 ( 0.000 3.960 -0.000) 3.960 9.252 ( -0.000 -1.703 0.000) 1.703 9.252 ( 0.000 -1.703 0.000) 1.703 10.054 ( -0.000 0.354 0.000) 0.354 10.054 ( -0.000 0.354 0.000) 0.354 10.077 ( 0.000 -1.711 0.000) 1.711 10.077 ( 0.000 -1.711 0.000) 1.711 =================== 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 3/19968 10.0 817.243 837.839 624.941 0.000 0.000 -0.000 3/19968 20.0 107.133 148.253 110.068 0.000 0.000 -0.000 3/19968 30.0 39.086 62.330 41.734 0.000 0.000 -0.000 3/19968 40.0 22.496 37.650 24.448 0.000 0.000 -0.000 3/19968 50.0 15.620 26.689 17.133 0.000 0.000 -0.000 3/19968 60.0 11.896 20.519 13.077 0.000 0.000 -0.000 3/19968 70.0 9.565 16.578 10.495 0.000 0.000 -0.000 3/19968 80.0 7.975 13.869 8.719 0.000 0.000 -0.000 3/19968 90.0 6.827 11.910 7.434 0.000 0.000 -0.000 3/19968 100.0 5.964 10.436 6.468 0.000 0.000 -0.000 3/19968 110.0 5.294 9.292 5.721 0.000 0.000 -0.000 3/19968 120.0 4.760 8.379 5.127 0.000 0.000 -0.000 3/19968 130.0 4.325 7.636 4.646 0.000 0.000 -0.000 3/19968 140.0 3.964 7.018 4.248 0.000 0.000 -0.000 3/19968 150.0 3.659 6.496 3.914 0.000 0.000 -0.000 3/19968 160.0 3.399 6.049 3.630 0.000 0.000 -0.000 3/19968 170.0 3.175 5.663 3.385 0.000 0.000 -0.000 3/19968 180.0 2.979 5.324 3.172 0.000 0.000 -0.000 3/19968 190.0 2.806 5.025 2.985 0.000 0.000 -0.000 3/19968 200.0 2.653 4.759 2.820 0.000 0.000 -0.000 3/19968 210.0 2.516 4.521 2.672 0.000 0.000 -0.000 3/19968 220.0 2.393 4.306 2.539 0.000 0.000 -0.000 3/19968 230.0 2.282 4.111 2.420 0.000 0.000 -0.000 3/19968 240.0 2.181 3.933 2.311 0.000 0.000 -0.000 3/19968 250.0 2.088 3.770 2.212 0.000 0.000 -0.000 3/19968 260.0 2.003 3.621 2.122 0.000 0.000 -0.000 3/19968 270.0 1.925 3.483 2.038 0.000 0.000 -0.000 3/19968 280.0 1.853 3.356 1.961 0.000 0.000 -0.000 3/19968 290.0 1.787 3.238 1.890 0.000 0.000 -0.000 3/19968 300.0 1.725 3.128 1.824 0.000 0.000 -0.000 3/19968 310.0 1.667 3.025 1.763 0.000 0.000 -0.000 3/19968 320.0 1.613 2.929 1.705 0.000 0.000 -0.000 3/19968 330.0 1.562 2.839 1.651 0.000 0.000 -0.000 3/19968 340.0 1.515 2.754 1.601 0.000 0.000 -0.000 3/19968 350.0 1.470 2.675 1.554 0.000 0.000 -0.000 3/19968 360.0 1.428 2.599 1.509 0.000 0.000 -0.000 3/19968 370.0 1.389 2.528 1.467 0.000 0.000 -0.000 3/19968 380.0 1.351 2.461 1.427 0.000 0.000 -0.000 3/19968 390.0 1.316 2.398 1.390 0.000 0.000 -0.000 3/19968 400.0 1.282 2.337 1.354 0.000 0.000 -0.000 3/19968 410.0 1.250 2.280 1.320 0.000 0.000 -0.000 3/19968 420.0 1.220 2.225 1.288 0.000 0.000 -0.000 3/19968 430.0 1.191 2.173 1.257 0.000 0.000 -0.000 3/19968 440.0 1.164 2.123 1.228 0.000 0.000 -0.000 3/19968 450.0 1.137 2.076 1.200 0.000 0.000 -0.000 3/19968 460.0 1.112 2.031 1.174 0.000 0.000 -0.000 3/19968 470.0 1.088 1.987 1.148 0.000 0.000 -0.000 3/19968 480.0 1.065 1.946 1.124 0.000 0.000 -0.000 3/19968 490.0 1.043 1.906 1.101 0.000 0.000 -0.000 3/19968 500.0 1.022 1.868 1.078 0.000 0.000 -0.000 3/19968 510.0 1.002 1.831 1.057 0.000 0.000 -0.000 3/19968 520.0 0.982 1.796 1.036 0.000 0.000 -0.000 3/19968 530.0 0.963 1.762 1.016 0.000 0.000 -0.000 3/19968 540.0 0.945 1.729 0.997 0.000 0.000 -0.000 3/19968 550.0 0.928 1.698 0.979 0.000 0.000 -0.000 3/19968 560.0 0.911 1.667 0.961 0.000 0.000 -0.000 3/19968 570.0 0.895 1.638 0.944 0.000 0.000 -0.000 3/19968 580.0 0.880 1.610 0.928 0.000 0.000 -0.000 3/19968 590.0 0.865 1.582 0.912 0.000 0.000 -0.000 3/19968 600.0 0.850 1.556 0.897 0.000 0.000 -0.000 3/19968 610.0 0.836 1.530 0.882 0.000 0.000 -0.000 3/19968 620.0 0.822 1.506 0.867 0.000 0.000 -0.000 3/19968 630.0 0.809 1.482 0.853 0.000 0.000 -0.000 3/19968 640.0 0.796 1.459 0.840 0.000 0.000 -0.000 3/19968 650.0 0.784 1.436 0.827 0.000 0.000 -0.000 3/19968 660.0 0.772 1.414 0.814 0.000 0.000 -0.000 3/19968 670.0 0.761 1.393 0.802 0.000 0.000 -0.000 3/19968 680.0 0.749 1.373 0.790 0.000 0.000 -0.000 3/19968 690.0 0.738 1.353 0.779 0.000 0.000 -0.000 3/19968 700.0 0.728 1.334 0.768 0.000 0.000 -0.000 3/19968 710.0 0.717 1.315 0.757 0.000 0.000 -0.000 3/19968 720.0 0.707 1.297 0.746 0.000 0.000 -0.000 3/19968 730.0 0.698 1.279 0.736 0.000 0.000 -0.000 3/19968 740.0 0.688 1.261 0.726 0.000 0.000 -0.000 3/19968 750.0 0.679 1.245 0.716 0.000 0.000 -0.000 3/19968 760.0 0.670 1.228 0.707 0.000 0.000 -0.000 3/19968 770.0 0.661 1.212 0.697 0.000 0.000 -0.000 3/19968 780.0 0.653 1.197 0.688 0.000 0.000 -0.000 3/19968 790.0 0.644 1.182 0.680 0.000 0.000 -0.000 3/19968 800.0 0.636 1.167 0.671 0.000 0.000 -0.000 3/19968 810.0 0.628 1.153 0.663 0.000 0.000 -0.000 3/19968 820.0 0.621 1.138 0.655 0.000 0.000 -0.000 3/19968 830.0 0.613 1.125 0.647 0.000 0.000 -0.000 3/19968 840.0 0.606 1.111 0.639 0.000 0.000 -0.000 3/19968 850.0 0.599 1.098 0.631 0.000 0.000 -0.000 3/19968 860.0 0.592 1.086 0.624 0.000 0.000 -0.000 3/19968 870.0 0.585 1.073 0.617 0.000 0.000 -0.000 3/19968 880.0 0.578 1.061 0.610 0.000 0.000 -0.000 3/19968 890.0 0.572 1.049 0.603 0.000 0.000 -0.000 3/19968 900.0 0.565 1.037 0.596 0.000 0.000 -0.000 3/19968 910.0 0.559 1.026 0.590 0.000 0.000 -0.000 3/19968 920.0 0.553 1.015 0.583 0.000 0.000 -0.000 3/19968 930.0 0.547 1.004 0.577 0.000 0.000 -0.000 3/19968 940.0 0.541 0.993 0.571 0.000 0.000 -0.000 3/19968 950.0 0.536 0.983 0.565 0.000 0.000 -0.000 3/19968 960.0 0.530 0.973 0.559 0.000 0.000 -0.000 3/19968 970.0 0.525 0.963 0.553 0.000 0.000 -0.000 3/19968 980.0 0.519 0.953 0.547 0.000 0.000 -0.000 3/19968 990.0 0.514 0.943 0.542 0.000 0.000 -0.000 3/19968 1000.0 0.509 0.934 0.536 0.000 0.000 -0.000 3/19968 Thermal conductivity related properties were written into "kappa-m4138.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:07:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|