----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:54:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.563758220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.682458095000000 2.625987934999999 c 0.000000000000000 -4.682458095000000 2.625987934999999 Atomic positions (fractional): *1 O 0.75000000000000 0.87322892775936 0.48725874483883 15.999 2 O 0.25000000000000 0.48725874483883 0.87322892775936 15.999 *3 O 0.50000000000000 0.68016632633288 0.68016632633288 15.999 4 O 0.00000000000000 0.68016632633288 0.68016632633288 15.999 *5 O 0.56065653528665 0.36948832007635 0.00686509738163 15.999 6 O 0.43934346471335 0.00686509738163 0.36948832007635 15.999 7 O 0.06065653528665 0.00686509738163 0.36948832007635 15.999 8 O 0.93934346471335 0.36948832007635 0.00686509738163 15.999 *9 Ga 0.55227731374641 0.71014900332826 0.36369504601225 69.723 10 Ga 0.44772268625359 0.36369504601225 0.71014900332826 69.723 11 Ga 0.94772268625359 0.71014900332826 0.36369504601225 69.723 12 Ga 0.05227731374641 0.36369504601225 0.71014900332826 69.723 *13 Pb 0.75000000000000 0.02300800901403 0.97237683212503 207.200 14 Pb 0.25000000000000 0.97237683212503 0.02300800901403 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.563758220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.364916190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.251975869999999 Atomic positions (fractional): *1 O 0.75000000000000 0.19298509146026 0.68024383629909 15.999 > 1 2 O 0.25000000000000 0.30701490853974 0.18024383629909 15.999 > 2 *3 O 0.50000000000000 0.00000000000000 0.68016632633288 15.999 > 3 4 O 0.00000000000000 0.00000000000000 0.68016632633288 15.999 > 4 *5 O 0.56065653528665 0.18131161134736 0.18817670872899 15.999 > 5 6 O 0.43934346471335 0.31868838865264 0.68817670872899 15.999 > 6 7 O 0.06065653528665 0.31868838865264 0.68817670872899 15.999 > 7 8 O 0.93934346471335 0.18131161134736 0.18817670872899 15.999 > 8 9 O 0.75000000000000 0.69298509146026 0.18024383629909 15.999 > 1 10 O 0.25000000000000 0.80701490853974 0.68024383629909 15.999 > 2 11 O 0.50000000000000 0.50000000000000 0.18016632633288 15.999 > 3 12 O 0.00000000000000 0.50000000000000 0.18016632633288 15.999 > 4 13 O 0.56065653528665 0.68131161134736 0.68817670872899 15.999 > 5 14 O 0.43934346471335 0.81868838865264 0.18817670872899 15.999 > 6 15 O 0.06065653528665 0.81868838865264 0.18817670872899 15.999 > 7 16 O 0.93934346471335 0.68131161134736 0.68817670872899 15.999 > 8 *17 Ga 0.55227731374641 0.17322697865800 0.53692202467025 69.723 > 9 18 Ga 0.44772268625359 0.32677302134199 0.03692202467025 69.723 > 10 19 Ga 0.94772268625359 0.17322697865800 0.53692202467025 69.723 > 11 20 Ga 0.05227731374641 0.32677302134199 0.03692202467025 69.723 > 12 21 Ga 0.55227731374641 0.67322697865800 0.03692202467025 69.723 > 9 22 Ga 0.44772268625359 0.82677302134200 0.53692202467025 69.723 > 10 23 Ga 0.94772268625359 0.67322697865800 0.03692202467025 69.723 > 11 24 Ga 0.05227731374641 0.82677302134200 0.53692202467025 69.723 > 12 *25 Pb 0.75000000000000 0.02531558844450 0.99769242056953 207.200 > 13 26 Pb 0.25000000000000 0.47468441155550 0.49769242056953 207.200 > 14 27 Pb 0.75000000000000 0.52531558844450 0.49769242056953 207.200 > 13 28 Pb 0.25000000000000 0.97468441155550 0.99769242056953 207.200 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.127516440000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.364916190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.503951739999998 Atomic positions (fractional): *1 O 0.37500000000000 0.19298509146026 0.34012191814955 15.999 > 1 2 O 0.87500000000000 0.19298509146026 0.34012191814955 15.999 > 1 3 O 0.37500000000000 0.19298509146026 0.84012191814955 15.999 > 1 4 O 0.87500000000000 0.19298509146026 0.84012191814955 15.999 > 1 5 O 0.12500000000000 0.30701490853974 0.09012191814955 15.999 > 2 6 O 0.62500000000000 0.30701490853974 0.09012191814955 15.999 > 2 7 O 0.12500000000000 0.30701490853974 0.59012191814955 15.999 > 2 8 O 0.62500000000000 0.30701490853974 0.59012191814955 15.999 > 2 *9 O 0.25000000000000 0.00000000000000 0.34008316316644 15.999 > 3 10 O 0.75000000000000 0.00000000000000 0.34008316316644 15.999 > 3 11 O 0.25000000000000 0.00000000000000 0.84008316316644 15.999 > 3 12 O 0.75000000000000 0.00000000000000 0.84008316316644 15.999 > 3 13 O 0.00000000000000 0.00000000000000 0.34008316316644 15.999 > 4 14 O 0.50000000000000 0.00000000000000 0.34008316316644 15.999 > 4 15 O 0.00000000000000 0.00000000000000 0.84008316316644 15.999 > 4 16 O 0.50000000000000 0.00000000000000 0.84008316316644 15.999 > 4 *17 O 0.28032826764333 0.18131161134736 0.09408835436449 15.999 > 5 18 O 0.78032826764333 0.18131161134736 0.09408835436449 15.999 > 5 19 O 0.28032826764333 0.18131161134736 0.59408835436449 15.999 > 5 20 O 0.78032826764333 0.18131161134736 0.59408835436449 15.999 > 5 21 O 0.21967173235667 0.31868838865264 0.34408835436449 15.999 > 6 22 O 0.71967173235667 0.31868838865264 0.34408835436449 15.999 > 6 23 O 0.21967173235667 0.31868838865264 0.84408835436449 15.999 > 6 24 O 0.71967173235667 0.31868838865264 0.84408835436449 15.999 > 6 25 O 0.03032826764333 0.31868838865264 0.34408835436449 15.999 > 7 26 O 0.53032826764333 0.31868838865264 0.34408835436449 15.999 > 7 27 O 0.03032826764333 0.31868838865264 0.84408835436449 15.999 > 7 28 O 0.53032826764333 0.31868838865264 0.84408835436449 15.999 > 7 29 O 0.46967173235667 0.18131161134736 0.09408835436449 15.999 > 8 30 O 0.96967173235667 0.18131161134736 0.09408835436449 15.999 > 8 31 O 0.46967173235667 0.18131161134736 0.59408835436449 15.999 > 8 32 O 0.96967173235667 0.18131161134736 0.59408835436449 15.999 > 8 33 O 0.37500000000000 0.69298509146026 0.09012191814955 15.999 > 1 34 O 0.87500000000000 0.69298509146026 0.09012191814955 15.999 > 1 35 O 0.37500000000000 0.69298509146026 0.59012191814955 15.999 > 1 36 O 0.87500000000000 0.69298509146026 0.59012191814955 15.999 > 1 37 O 0.12500000000000 0.80701490853974 0.34012191814955 15.999 > 2 38 O 0.62500000000000 0.80701490853974 0.34012191814955 15.999 > 2 39 O 0.12500000000000 0.80701490853974 0.84012191814955 15.999 > 2 40 O 0.62500000000000 0.80701490853974 0.84012191814955 15.999 > 2 41 O 0.25000000000000 0.50000000000000 0.09008316316644 15.999 > 3 42 O 0.75000000000000 0.50000000000000 0.09008316316644 15.999 > 3 43 O 0.25000000000000 0.50000000000000 0.59008316316644 15.999 > 3 44 O 0.75000000000000 0.50000000000000 0.59008316316644 15.999 > 3 45 O 0.00000000000000 0.50000000000000 0.09008316316644 15.999 > 4 46 O 0.50000000000000 0.50000000000000 0.09008316316644 15.999 > 4 47 O 0.00000000000000 0.50000000000000 0.59008316316644 15.999 > 4 48 O 0.50000000000000 0.50000000000000 0.59008316316644 15.999 > 4 49 O 0.28032826764333 0.68131161134736 0.34408835436449 15.999 > 5 50 O 0.78032826764333 0.68131161134736 0.34408835436449 15.999 > 5 51 O 0.28032826764333 0.68131161134736 0.84408835436449 15.999 > 5 52 O 0.78032826764333 0.68131161134736 0.84408835436449 15.999 > 5 53 O 0.21967173235667 0.81868838865264 0.09408835436449 15.999 > 6 54 O 0.71967173235667 0.81868838865264 0.09408835436449 15.999 > 6 55 O 0.21967173235667 0.81868838865264 0.59408835436449 15.999 > 6 56 O 0.71967173235667 0.81868838865264 0.59408835436449 15.999 > 6 57 O 0.03032826764333 0.81868838865264 0.09408835436449 15.999 > 7 58 O 0.53032826764333 0.81868838865264 0.09408835436449 15.999 > 7 59 O 0.03032826764333 0.81868838865264 0.59408835436449 15.999 > 7 60 O 0.53032826764333 0.81868838865264 0.59408835436449 15.999 > 7 61 O 0.46967173235667 0.68131161134736 0.34408835436449 15.999 > 8 62 O 0.96967173235667 0.68131161134736 0.34408835436449 15.999 > 8 63 O 0.46967173235667 0.68131161134736 0.84408835436449 15.999 > 8 64 O 0.96967173235667 0.68131161134736 0.84408835436449 15.999 > 8 *65 Ga 0.27613865687320 0.17322697865800 0.26846101233513 69.723 > 9 66 Ga 0.77613865687320 0.17322697865800 0.26846101233513 69.723 > 9 67 Ga 0.27613865687320 0.17322697865800 0.76846101233513 69.723 > 9 68 Ga 0.77613865687320 0.17322697865800 0.76846101233513 69.723 > 9 69 Ga 0.22386134312680 0.32677302134199 0.01846101233513 69.723 > 10 70 Ga 0.72386134312680 0.32677302134199 0.01846101233513 69.723 > 10 71 Ga 0.22386134312680 0.32677302134199 0.51846101233513 69.723 > 10 72 Ga 0.72386134312680 0.32677302134199 0.51846101233513 69.723 > 10 73 Ga 0.47386134312680 0.17322697865800 0.26846101233513 69.723 > 11 74 Ga 0.97386134312680 0.17322697865800 0.26846101233513 69.723 > 11 75 Ga 0.47386134312680 0.17322697865800 0.76846101233513 69.723 > 11 76 Ga 0.97386134312680 0.17322697865800 0.76846101233513 69.723 > 11 77 Ga 0.02613865687321 0.32677302134199 0.01846101233513 69.723 > 12 78 Ga 0.52613865687321 0.32677302134199 0.01846101233513 69.723 > 12 79 Ga 0.02613865687321 0.32677302134199 0.51846101233513 69.723 > 12 80 Ga 0.52613865687321 0.32677302134199 0.51846101233513 69.723 > 12 81 Ga 0.27613865687320 0.67322697865800 0.01846101233513 69.723 > 9 82 Ga 0.77613865687320 0.67322697865800 0.01846101233513 69.723 > 9 83 Ga 0.27613865687320 0.67322697865800 0.51846101233513 69.723 > 9 84 Ga 0.77613865687320 0.67322697865800 0.51846101233513 69.723 > 9 85 Ga 0.22386134312680 0.82677302134200 0.26846101233513 69.723 > 10 86 Ga 0.72386134312680 0.82677302134200 0.26846101233513 69.723 > 10 87 Ga 0.22386134312680 0.82677302134200 0.76846101233513 69.723 > 10 88 Ga 0.72386134312680 0.82677302134200 0.76846101233513 69.723 > 10 89 Ga 0.47386134312680 0.67322697865800 0.01846101233513 69.723 > 11 90 Ga 0.97386134312680 0.67322697865800 0.01846101233513 69.723 > 11 91 Ga 0.47386134312680 0.67322697865800 0.51846101233513 69.723 > 11 92 Ga 0.97386134312680 0.67322697865800 0.51846101233513 69.723 > 11 93 Ga 0.02613865687321 0.82677302134200 0.26846101233513 69.723 > 12 94 Ga 0.52613865687321 0.82677302134200 0.26846101233513 69.723 > 12 95 Ga 0.02613865687321 0.82677302134200 0.76846101233513 69.723 > 12 96 Ga 0.52613865687321 0.82677302134200 0.76846101233513 69.723 > 12 *97 Pb 0.37500000000000 0.02531558844450 0.49884621028476 207.200 > 13 98 Pb 0.87500000000000 0.02531558844450 0.49884621028476 207.200 > 13 99 Pb 0.37500000000000 0.02531558844450 0.99884621028476 207.200 > 13 100 Pb 0.87500000000000 0.02531558844450 0.99884621028476 207.200 > 13 101 Pb 0.12500000000000 0.47468441155550 0.24884621028476 207.200 > 14 102 Pb 0.62500000000000 0.47468441155550 0.24884621028476 207.200 > 14 103 Pb 0.12500000000000 0.47468441155550 0.74884621028476 207.200 > 14 104 Pb 0.62500000000000 0.47468441155550 0.74884621028476 207.200 > 14 105 Pb 0.37500000000000 0.52531558844450 0.24884621028476 207.200 > 13 106 Pb 0.87500000000000 0.52531558844450 0.24884621028476 207.200 > 13 107 Pb 0.37500000000000 0.52531558844450 0.74884621028476 207.200 > 13 108 Pb 0.87500000000000 0.52531558844450 0.74884621028476 207.200 > 13 109 Pb 0.12500000000000 0.97468441155550 0.49884621028476 207.200 > 14 110 Pb 0.62500000000000 0.97468441155550 0.49884621028476 207.200 > 14 111 Pb 0.12500000000000 0.97468441155550 0.99884621028476 207.200 > 14 112 Pb 0.62500000000000 0.97468441155550 0.99884621028476 207.200 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2320865 0.0000000 0.0000000 0.0000000 4.1469193 0.0000000 0.0000000 0.0000000 4.2496855 -------------------------- Born effective charges -------------------------- 1 O -2.6557920 0.0000000 0.0000000 0.0000000 -1.9111221 0.6979037 0.0000000 0.7514012 -2.0541759 2 O -2.6557920 0.0000000 0.0000000 0.0000000 -1.9111221 -0.6979037 0.0000000 -0.7514012 -2.0541759 3 O -2.1328811 -0.4757529 0.0000000 -0.7793460 -2.4129369 0.0000000 0.0000000 0.0000000 -1.9207798 4 O -2.1328811 0.4757529 0.0000000 0.7793460 -2.4129369 0.0000000 0.0000000 0.0000000 -1.9207798 5 O -1.9767471 0.8225330 -0.0228524 0.6325583 -2.0384150 0.0852604 0.1429668 -0.1831522 -2.3662402 6 O -1.9767471 0.8225330 0.0228524 0.6325583 -2.0384150 -0.0852604 -0.1429668 0.1831522 -2.3662402 7 O -1.9767471 -0.8225330 -0.0228524 -0.6325583 -2.0384150 -0.0852604 0.1429668 0.1831522 -2.3662402 8 O -1.9767471 -0.8225330 0.0228524 -0.6325583 -2.0384150 0.0852604 -0.1429668 -0.1831522 -2.3662402 9 Ga 2.5910061 -0.0306662 -0.0413229 -0.1246025 2.8267853 -0.1369807 0.0463850 -0.0882699 2.9905866 10 Ga 2.5910061 -0.0306662 0.0413229 -0.1246025 2.8267853 0.1369807 -0.0463850 0.0882699 2.9905866 11 Ga 2.5910061 0.0306662 0.0413229 0.1246025 2.8267853 -0.1369807 -0.0463850 -0.0882699 2.9905866 12 Ga 2.5910061 0.0306662 -0.0413229 0.1246025 2.8267853 0.1369807 0.0463850 0.0882699 2.9905866 13 Pb 3.5601550 0.0000000 0.0000000 0.0000000 2.7473183 0.1161807 0.0000000 0.0081571 2.7262629 14 Pb 3.5601550 0.0000000 0.0000000 0.0000000 2.7473183 -0.1161807 0.0000000 -0.0081571 2.7262629 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1837 Number of blocks in projector: 1837 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 380 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 372 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 227 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 227 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 227 Use standard eigh solver. Tree of FC basis block matrices: - (1837, 1804), data: False |-- (227, 222), data: True |-- (227, 222), data: True |-- (227, 222), data: True |-- (372, 368), data: True |-- (380, 374), data: True |-- (404, 396), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.425 Solver_block: 200 / 480 - Time: 0.394 Solver_block: 300 / 480 - Time: 0.389 Solver_block: 400 / 480 - Time: 0.387 Solver_block: 480 / 480 - Time: 0.350 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.985 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1837 Number of blocks in projector: 1837 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 380 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 372 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 227 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 227 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 227 Use standard eigh solver. Tree of FC basis block matrices: - (1837, 1804), data: False |-- (227, 222), data: True |-- (227, 222), data: True |-- (227, 222), data: True |-- (372, 368), data: True |-- (380, 374), data: True |-- (404, 396), 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 04:54:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:54:52]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.563758220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.682458095000000 2.625987934999999 c 0.000000000000000 -4.682458095000000 2.625987934999999 Atomic positions (fractional): 1 O 0.75000000000000 0.87322892775936 0.48725874483883 15.999 2 O 0.25000000000000 0.48725874483883 0.87322892775936 15.999 3 O 0.50000000000000 0.68016632633288 0.68016632633288 15.999 4 O 0.00000000000000 0.68016632633288 0.68016632633288 15.999 5 O 0.56065653528665 0.36948832007635 0.00686509738163 15.999 6 O 0.43934346471335 0.00686509738163 0.36948832007635 15.999 7 O 0.06065653528665 0.00686509738163 0.36948832007635 15.999 8 O 0.93934346471335 0.36948832007635 0.00686509738163 15.999 9 Ga 0.55227731374641 0.71014900332826 0.36369504601225 69.723 10 Ga 0.44772268625359 0.36369504601225 0.71014900332826 69.723 11 Ga 0.94772268625359 0.71014900332826 0.36369504601225 69.723 12 Ga 0.05227731374641 0.36369504601225 0.71014900332826 69.723 13 Pb 0.75000000000000 0.02300800901403 0.97237683212503 207.200 14 Pb 0.25000000000000 0.97237683212503 0.02300800901403 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.127516440000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.364916190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.503951739999998 Atomic positions (fractional): 1 O 0.37500000000000 0.19298509146026 0.34012191814955 15.999 > 1 2 O 0.87500000000000 0.19298509146026 0.34012191814955 15.999 > 1 3 O 0.37500000000000 0.19298509146026 0.84012191814955 15.999 > 1 4 O 0.87500000000000 0.19298509146026 0.84012191814955 15.999 > 1 5 O 0.12500000000000 0.30701490853974 0.09012191814955 15.999 > 5 6 O 0.62500000000000 0.30701490853974 0.09012191814955 15.999 > 5 7 O 0.12500000000000 0.30701490853974 0.59012191814955 15.999 > 5 8 O 0.62500000000000 0.30701490853974 0.59012191814955 15.999 > 5 9 O 0.25000000000000 0.00000000000000 0.34008316316644 15.999 > 9 10 O 0.75000000000000 0.00000000000000 0.34008316316644 15.999 > 9 11 O 0.25000000000000 0.00000000000000 0.84008316316644 15.999 > 9 12 O 0.75000000000000 0.00000000000000 0.84008316316644 15.999 > 9 13 O 0.00000000000000 0.00000000000000 0.34008316316644 15.999 > 13 14 O 0.50000000000000 0.00000000000000 0.34008316316644 15.999 > 13 15 O 0.00000000000000 0.00000000000000 0.84008316316644 15.999 > 13 16 O 0.50000000000000 0.00000000000000 0.84008316316644 15.999 > 13 17 O 0.28032826764333 0.18131161134736 0.09408835436449 15.999 > 17 18 O 0.78032826764333 0.18131161134736 0.09408835436449 15.999 > 17 19 O 0.28032826764333 0.18131161134736 0.59408835436449 15.999 > 17 20 O 0.78032826764333 0.18131161134736 0.59408835436449 15.999 > 17 21 O 0.21967173235667 0.31868838865264 0.34408835436449 15.999 > 21 22 O 0.71967173235667 0.31868838865264 0.34408835436449 15.999 > 21 23 O 0.21967173235667 0.31868838865264 0.84408835436449 15.999 > 21 24 O 0.71967173235667 0.31868838865264 0.84408835436449 15.999 > 21 25 O 0.03032826764333 0.31868838865264 0.34408835436449 15.999 > 25 26 O 0.53032826764333 0.31868838865264 0.34408835436449 15.999 > 25 27 O 0.03032826764333 0.31868838865264 0.84408835436449 15.999 > 25 28 O 0.53032826764333 0.31868838865264 0.84408835436449 15.999 > 25 29 O 0.46967173235667 0.18131161134736 0.09408835436449 15.999 > 29 30 O 0.96967173235667 0.18131161134736 0.09408835436449 15.999 > 29 31 O 0.46967173235667 0.18131161134736 0.59408835436449 15.999 > 29 32 O 0.96967173235667 0.18131161134736 0.59408835436449 15.999 > 29 33 O 0.37500000000000 0.69298509146026 0.09012191814955 15.999 > 1 34 O 0.87500000000000 0.69298509146026 0.09012191814955 15.999 > 1 35 O 0.37500000000000 0.69298509146026 0.59012191814955 15.999 > 1 36 O 0.87500000000000 0.69298509146026 0.59012191814955 15.999 > 1 37 O 0.12500000000000 0.80701490853974 0.34012191814955 15.999 > 5 38 O 0.62500000000000 0.80701490853974 0.34012191814955 15.999 > 5 39 O 0.12500000000000 0.80701490853974 0.84012191814955 15.999 > 5 40 O 0.62500000000000 0.80701490853974 0.84012191814955 15.999 > 5 41 O 0.25000000000000 0.50000000000000 0.09008316316644 15.999 > 9 42 O 0.75000000000000 0.50000000000000 0.09008316316644 15.999 > 9 43 O 0.25000000000000 0.50000000000000 0.59008316316644 15.999 > 9 44 O 0.75000000000000 0.50000000000000 0.59008316316644 15.999 > 9 45 O 0.00000000000000 0.50000000000000 0.09008316316644 15.999 > 13 46 O 0.50000000000000 0.50000000000000 0.09008316316644 15.999 > 13 47 O 0.00000000000000 0.50000000000000 0.59008316316644 15.999 > 13 48 O 0.50000000000000 0.50000000000000 0.59008316316644 15.999 > 13 49 O 0.28032826764333 0.68131161134736 0.34408835436449 15.999 > 17 50 O 0.78032826764333 0.68131161134736 0.34408835436449 15.999 > 17 51 O 0.28032826764333 0.68131161134736 0.84408835436449 15.999 > 17 52 O 0.78032826764333 0.68131161134736 0.84408835436449 15.999 > 17 53 O 0.21967173235667 0.81868838865264 0.09408835436449 15.999 > 21 54 O 0.71967173235667 0.81868838865264 0.09408835436449 15.999 > 21 55 O 0.21967173235667 0.81868838865264 0.59408835436449 15.999 > 21 56 O 0.71967173235667 0.81868838865264 0.59408835436449 15.999 > 21 57 O 0.03032826764333 0.81868838865264 0.09408835436449 15.999 > 25 58 O 0.53032826764333 0.81868838865264 0.09408835436449 15.999 > 25 59 O 0.03032826764333 0.81868838865264 0.59408835436449 15.999 > 25 60 O 0.53032826764333 0.81868838865264 0.59408835436449 15.999 > 25 61 O 0.46967173235667 0.68131161134736 0.34408835436449 15.999 > 29 62 O 0.96967173235667 0.68131161134736 0.34408835436449 15.999 > 29 63 O 0.46967173235667 0.68131161134736 0.84408835436449 15.999 > 29 64 O 0.96967173235667 0.68131161134736 0.84408835436449 15.999 > 29 65 Ga 0.27613865687320 0.17322697865800 0.26846101233513 69.723 > 65 66 Ga 0.77613865687320 0.17322697865800 0.26846101233513 69.723 > 65 67 Ga 0.27613865687320 0.17322697865800 0.76846101233513 69.723 > 65 68 Ga 0.77613865687320 0.17322697865800 0.76846101233513 69.723 > 65 69 Ga 0.22386134312680 0.32677302134199 0.01846101233513 69.723 > 69 70 Ga 0.72386134312680 0.32677302134199 0.01846101233513 69.723 > 69 71 Ga 0.22386134312680 0.32677302134199 0.51846101233513 69.723 > 69 72 Ga 0.72386134312680 0.32677302134199 0.51846101233513 69.723 > 69 73 Ga 0.47386134312680 0.17322697865800 0.26846101233513 69.723 > 73 74 Ga 0.97386134312680 0.17322697865800 0.26846101233513 69.723 > 73 75 Ga 0.47386134312680 0.17322697865800 0.76846101233513 69.723 > 73 76 Ga 0.97386134312680 0.17322697865800 0.76846101233513 69.723 > 73 77 Ga 0.02613865687321 0.32677302134199 0.01846101233513 69.723 > 77 78 Ga 0.52613865687321 0.32677302134199 0.01846101233513 69.723 > 77 79 Ga 0.02613865687321 0.32677302134199 0.51846101233513 69.723 > 77 80 Ga 0.52613865687321 0.32677302134199 0.51846101233513 69.723 > 77 81 Ga 0.27613865687320 0.67322697865800 0.01846101233513 69.723 > 65 82 Ga 0.77613865687320 0.67322697865800 0.01846101233513 69.723 > 65 83 Ga 0.27613865687320 0.67322697865800 0.51846101233513 69.723 > 65 84 Ga 0.77613865687320 0.67322697865800 0.51846101233513 69.723 > 65 85 Ga 0.22386134312680 0.82677302134200 0.26846101233513 69.723 > 69 86 Ga 0.72386134312680 0.82677302134200 0.26846101233513 69.723 > 69 87 Ga 0.22386134312680 0.82677302134200 0.76846101233513 69.723 > 69 88 Ga 0.72386134312680 0.82677302134200 0.76846101233513 69.723 > 69 89 Ga 0.47386134312680 0.67322697865800 0.01846101233513 69.723 > 73 90 Ga 0.97386134312680 0.67322697865800 0.01846101233513 69.723 > 73 91 Ga 0.47386134312680 0.67322697865800 0.51846101233513 69.723 > 73 92 Ga 0.97386134312680 0.67322697865800 0.51846101233513 69.723 > 73 93 Ga 0.02613865687321 0.82677302134200 0.26846101233513 69.723 > 77 94 Ga 0.52613865687321 0.82677302134200 0.26846101233513 69.723 > 77 95 Ga 0.02613865687321 0.82677302134200 0.76846101233513 69.723 > 77 96 Ga 0.52613865687321 0.82677302134200 0.76846101233513 69.723 > 77 97 Pb 0.37500000000000 0.02531558844450 0.49884621028476 207.200 > 97 98 Pb 0.87500000000000 0.02531558844450 0.49884621028476 207.200 > 97 99 Pb 0.37500000000000 0.02531558844450 0.99884621028476 207.200 > 97 100 Pb 0.87500000000000 0.02531558844450 0.99884621028476 207.200 > 97 101 Pb 0.12500000000000 0.47468441155550 0.24884621028476 207.200 > 101 102 Pb 0.62500000000000 0.47468441155550 0.24884621028476 207.200 > 101 103 Pb 0.12500000000000 0.47468441155550 0.74884621028476 207.200 > 101 104 Pb 0.62500000000000 0.47468441155550 0.74884621028476 207.200 > 101 105 Pb 0.37500000000000 0.52531558844450 0.24884621028476 207.200 > 97 106 Pb 0.87500000000000 0.52531558844450 0.24884621028476 207.200 > 97 107 Pb 0.37500000000000 0.52531558844450 0.74884621028476 207.200 > 97 108 Pb 0.87500000000000 0.52531558844450 0.74884621028476 207.200 > 97 109 Pb 0.12500000000000 0.97468441155550 0.49884621028476 207.200 > 101 110 Pb 0.62500000000000 0.97468441155550 0.49884621028476 207.200 > 101 111 Pb 0.12500000000000 0.97468441155550 0.99884621028476 207.200 > 101 112 Pb 0.62500000000000 0.97468441155550 0.99884621028476 207.200 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2320865 0.0000000 0.0000000 0.0000000 4.1469193 0.0000000 0.0000000 0.0000000 4.2496855 -------------------------- Born effective charges -------------------------- 1 O -2.6557920 0.0000000 0.0000000 0.0000000 -1.9111221 0.6979037 0.0000000 0.7514012 -2.0541759 2 O -2.6557920 0.0000000 0.0000000 0.0000000 -1.9111221 -0.6979037 0.0000000 -0.7514012 -2.0541759 3 O -2.1328811 -0.4757529 0.0000000 -0.7793460 -2.4129369 0.0000000 0.0000000 0.0000000 -1.9207798 4 O -2.1328811 0.4757529 0.0000000 0.7793460 -2.4129369 0.0000000 0.0000000 0.0000000 -1.9207798 5 O -1.9767471 0.8225330 -0.0228524 0.6325583 -2.0384150 0.0852604 0.1429668 -0.1831522 -2.3662402 6 O -1.9767471 0.8225330 0.0228524 0.6325583 -2.0384150 -0.0852604 -0.1429668 0.1831522 -2.3662402 7 O -1.9767471 -0.8225330 -0.0228524 -0.6325583 -2.0384150 -0.0852604 0.1429668 0.1831522 -2.3662402 8 O -1.9767471 -0.8225330 0.0228524 -0.6325583 -2.0384150 0.0852604 -0.1429668 -0.1831522 -2.3662402 9 Ga 2.5910061 -0.0306662 -0.0413229 -0.1246025 2.8267853 -0.1369807 0.0463850 -0.0882699 2.9905866 10 Ga 2.5910061 -0.0306662 0.0413229 -0.1246025 2.8267853 0.1369807 -0.0463850 0.0882699 2.9905866 11 Ga 2.5910061 0.0306662 0.0413229 0.1246025 2.8267853 -0.1369807 -0.0463850 -0.0882699 2.9905866 12 Ga 2.5910061 0.0306662 -0.0413229 0.1246025 2.8267853 0.1369807 0.0463850 0.0882699 2.9905866 13 Pb 3.5601550 0.0000000 0.0000000 0.0000000 2.7473183 0.1161807 0.0000000 0.0081571 2.7262629 14 Pb 3.5601550 0.0000000 0.0000000 0.0000000 2.7473183 -0.1161807 0.0000000 -0.0081571 2.7262629 ---------------------------------------------------------------------------- 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[ 9, 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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: 0.00000004 (yyy) 0.00000004 (yyy) 0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:55:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:55:08]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.563758220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.682458095000000 2.625987934999999 c 0.000000000000000 -4.682458095000000 2.625987934999999 Atomic positions (fractional): 1 O 0.75000000000000 0.87322892775936 0.48725874483883 15.999 2 O 0.25000000000000 0.48725874483883 0.87322892775936 15.999 3 O 0.50000000000000 0.68016632633288 0.68016632633288 15.999 4 O 0.00000000000000 0.68016632633288 0.68016632633288 15.999 5 O 0.56065653528665 0.36948832007635 0.00686509738163 15.999 6 O 0.43934346471335 0.00686509738163 0.36948832007635 15.999 7 O 0.06065653528665 0.00686509738163 0.36948832007635 15.999 8 O 0.93934346471335 0.36948832007635 0.00686509738163 15.999 9 Ga 0.55227731374641 0.71014900332826 0.36369504601225 69.723 10 Ga 0.44772268625359 0.36369504601225 0.71014900332826 69.723 11 Ga 0.94772268625359 0.71014900332826 0.36369504601225 69.723 12 Ga 0.05227731374641 0.36369504601225 0.71014900332826 69.723 13 Pb 0.75000000000000 0.02300800901403 0.97237683212503 207.200 14 Pb 0.25000000000000 0.97237683212503 0.02300800901403 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.127516440000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.364916190000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.503951739999998 Atomic positions (fractional): 1 O 0.37500000000000 0.19298509146026 0.34012191814955 15.999 > 1 2 O 0.87500000000000 0.19298509146026 0.34012191814955 15.999 > 1 3 O 0.37500000000000 0.19298509146026 0.84012191814955 15.999 > 1 4 O 0.87500000000000 0.19298509146026 0.84012191814955 15.999 > 1 5 O 0.12500000000000 0.30701490853974 0.09012191814955 15.999 > 5 6 O 0.62500000000000 0.30701490853974 0.09012191814955 15.999 > 5 7 O 0.12500000000000 0.30701490853974 0.59012191814955 15.999 > 5 8 O 0.62500000000000 0.30701490853974 0.59012191814955 15.999 > 5 9 O 0.25000000000000 0.00000000000000 0.34008316316644 15.999 > 9 10 O 0.75000000000000 0.00000000000000 0.34008316316644 15.999 > 9 11 O 0.25000000000000 0.00000000000000 0.84008316316644 15.999 > 9 12 O 0.75000000000000 0.00000000000000 0.84008316316644 15.999 > 9 13 O 0.00000000000000 0.00000000000000 0.34008316316644 15.999 > 13 14 O 0.50000000000000 0.00000000000000 0.34008316316644 15.999 > 13 15 O 0.00000000000000 0.00000000000000 0.84008316316644 15.999 > 13 16 O 0.50000000000000 0.00000000000000 0.84008316316644 15.999 > 13 17 O 0.28032826764333 0.18131161134736 0.09408835436449 15.999 > 17 18 O 0.78032826764333 0.18131161134736 0.09408835436449 15.999 > 17 19 O 0.28032826764333 0.18131161134736 0.59408835436449 15.999 > 17 20 O 0.78032826764333 0.18131161134736 0.59408835436449 15.999 > 17 21 O 0.21967173235667 0.31868838865264 0.34408835436449 15.999 > 21 22 O 0.71967173235667 0.31868838865264 0.34408835436449 15.999 > 21 23 O 0.21967173235667 0.31868838865264 0.84408835436449 15.999 > 21 24 O 0.71967173235667 0.31868838865264 0.84408835436449 15.999 > 21 25 O 0.03032826764333 0.31868838865264 0.34408835436449 15.999 > 25 26 O 0.53032826764333 0.31868838865264 0.34408835436449 15.999 > 25 27 O 0.03032826764333 0.31868838865264 0.84408835436449 15.999 > 25 28 O 0.53032826764333 0.31868838865264 0.84408835436449 15.999 > 25 29 O 0.46967173235667 0.18131161134736 0.09408835436449 15.999 > 29 30 O 0.96967173235667 0.18131161134736 0.09408835436449 15.999 > 29 31 O 0.46967173235667 0.18131161134736 0.59408835436449 15.999 > 29 32 O 0.96967173235667 0.18131161134736 0.59408835436449 15.999 > 29 33 O 0.37500000000000 0.69298509146026 0.09012191814955 15.999 > 1 34 O 0.87500000000000 0.69298509146026 0.09012191814955 15.999 > 1 35 O 0.37500000000000 0.69298509146026 0.59012191814955 15.999 > 1 36 O 0.87500000000000 0.69298509146026 0.59012191814955 15.999 > 1 37 O 0.12500000000000 0.80701490853974 0.34012191814955 15.999 > 5 38 O 0.62500000000000 0.80701490853974 0.34012191814955 15.999 > 5 39 O 0.12500000000000 0.80701490853974 0.84012191814955 15.999 > 5 40 O 0.62500000000000 0.80701490853974 0.84012191814955 15.999 > 5 41 O 0.25000000000000 0.50000000000000 0.09008316316644 15.999 > 9 42 O 0.75000000000000 0.50000000000000 0.09008316316644 15.999 > 9 43 O 0.25000000000000 0.50000000000000 0.59008316316644 15.999 > 9 44 O 0.75000000000000 0.50000000000000 0.59008316316644 15.999 > 9 45 O 0.00000000000000 0.50000000000000 0.09008316316644 15.999 > 13 46 O 0.50000000000000 0.50000000000000 0.09008316316644 15.999 > 13 47 O 0.00000000000000 0.50000000000000 0.59008316316644 15.999 > 13 48 O 0.50000000000000 0.50000000000000 0.59008316316644 15.999 > 13 49 O 0.28032826764333 0.68131161134736 0.34408835436449 15.999 > 17 50 O 0.78032826764333 0.68131161134736 0.34408835436449 15.999 > 17 51 O 0.28032826764333 0.68131161134736 0.84408835436449 15.999 > 17 52 O 0.78032826764333 0.68131161134736 0.84408835436449 15.999 > 17 53 O 0.21967173235667 0.81868838865264 0.09408835436449 15.999 > 21 54 O 0.71967173235667 0.81868838865264 0.09408835436449 15.999 > 21 55 O 0.21967173235667 0.81868838865264 0.59408835436449 15.999 > 21 56 O 0.71967173235667 0.81868838865264 0.59408835436449 15.999 > 21 57 O 0.03032826764333 0.81868838865264 0.09408835436449 15.999 > 25 58 O 0.53032826764333 0.81868838865264 0.09408835436449 15.999 > 25 59 O 0.03032826764333 0.81868838865264 0.59408835436449 15.999 > 25 60 O 0.53032826764333 0.81868838865264 0.59408835436449 15.999 > 25 61 O 0.46967173235667 0.68131161134736 0.34408835436449 15.999 > 29 62 O 0.96967173235667 0.68131161134736 0.34408835436449 15.999 > 29 63 O 0.46967173235667 0.68131161134736 0.84408835436449 15.999 > 29 64 O 0.96967173235667 0.68131161134736 0.84408835436449 15.999 > 29 65 Ga 0.27613865687320 0.17322697865800 0.26846101233513 69.723 > 65 66 Ga 0.77613865687320 0.17322697865800 0.26846101233513 69.723 > 65 67 Ga 0.27613865687320 0.17322697865800 0.76846101233513 69.723 > 65 68 Ga 0.77613865687320 0.17322697865800 0.76846101233513 69.723 > 65 69 Ga 0.22386134312680 0.32677302134199 0.01846101233513 69.723 > 69 70 Ga 0.72386134312680 0.32677302134199 0.01846101233513 69.723 > 69 71 Ga 0.22386134312680 0.32677302134199 0.51846101233513 69.723 > 69 72 Ga 0.72386134312680 0.32677302134199 0.51846101233513 69.723 > 69 73 Ga 0.47386134312680 0.17322697865800 0.26846101233513 69.723 > 73 74 Ga 0.97386134312680 0.17322697865800 0.26846101233513 69.723 > 73 75 Ga 0.47386134312680 0.17322697865800 0.76846101233513 69.723 > 73 76 Ga 0.97386134312680 0.17322697865800 0.76846101233513 69.723 > 73 77 Ga 0.02613865687321 0.32677302134199 0.01846101233513 69.723 > 77 78 Ga 0.52613865687321 0.32677302134199 0.01846101233513 69.723 > 77 79 Ga 0.02613865687321 0.32677302134199 0.51846101233513 69.723 > 77 80 Ga 0.52613865687321 0.32677302134199 0.51846101233513 69.723 > 77 81 Ga 0.27613865687320 0.67322697865800 0.01846101233513 69.723 > 65 82 Ga 0.77613865687320 0.67322697865800 0.01846101233513 69.723 > 65 83 Ga 0.27613865687320 0.67322697865800 0.51846101233513 69.723 > 65 84 Ga 0.77613865687320 0.67322697865800 0.51846101233513 69.723 > 65 85 Ga 0.22386134312680 0.82677302134200 0.26846101233513 69.723 > 69 86 Ga 0.72386134312680 0.82677302134200 0.26846101233513 69.723 > 69 87 Ga 0.22386134312680 0.82677302134200 0.76846101233513 69.723 > 69 88 Ga 0.72386134312680 0.82677302134200 0.76846101233513 69.723 > 69 89 Ga 0.47386134312680 0.67322697865800 0.01846101233513 69.723 > 73 90 Ga 0.97386134312680 0.67322697865800 0.01846101233513 69.723 > 73 91 Ga 0.47386134312680 0.67322697865800 0.51846101233513 69.723 > 73 92 Ga 0.97386134312680 0.67322697865800 0.51846101233513 69.723 > 73 93 Ga 0.02613865687321 0.82677302134200 0.26846101233513 69.723 > 77 94 Ga 0.52613865687321 0.82677302134200 0.26846101233513 69.723 > 77 95 Ga 0.02613865687321 0.82677302134200 0.76846101233513 69.723 > 77 96 Ga 0.52613865687321 0.82677302134200 0.76846101233513 69.723 > 77 97 Pb 0.37500000000000 0.02531558844450 0.49884621028476 207.200 > 97 98 Pb 0.87500000000000 0.02531558844450 0.49884621028476 207.200 > 97 99 Pb 0.37500000000000 0.02531558844450 0.99884621028476 207.200 > 97 100 Pb 0.87500000000000 0.02531558844450 0.99884621028476 207.200 > 97 101 Pb 0.12500000000000 0.47468441155550 0.24884621028476 207.200 > 101 102 Pb 0.62500000000000 0.47468441155550 0.24884621028476 207.200 > 101 103 Pb 0.12500000000000 0.47468441155550 0.74884621028476 207.200 > 101 104 Pb 0.62500000000000 0.47468441155550 0.74884621028476 207.200 > 101 105 Pb 0.37500000000000 0.52531558844450 0.24884621028476 207.200 > 97 106 Pb 0.87500000000000 0.52531558844450 0.24884621028476 207.200 > 97 107 Pb 0.37500000000000 0.52531558844450 0.74884621028476 207.200 > 97 108 Pb 0.87500000000000 0.52531558844450 0.74884621028476 207.200 > 97 109 Pb 0.12500000000000 0.97468441155550 0.49884621028476 207.200 > 101 110 Pb 0.62500000000000 0.97468441155550 0.49884621028476 207.200 > 101 111 Pb 0.12500000000000 0.97468441155550 0.99884621028476 207.200 > 101 112 Pb 0.62500000000000 0.97468441155550 0.99884621028476 207.200 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2320865 0.0000000 0.0000000 0.0000000 4.1469193 0.0000000 0.0000000 0.0000000 4.2496855 -------------------------- Born effective charges -------------------------- 1 O -2.6557920 0.0000000 0.0000000 0.0000000 -1.9111221 0.6979037 0.0000000 0.7514012 -2.0541759 2 O -2.6557920 0.0000000 0.0000000 0.0000000 -1.9111221 -0.6979037 0.0000000 -0.7514012 -2.0541759 3 O -2.1328811 -0.4757529 0.0000000 -0.7793460 -2.4129369 0.0000000 0.0000000 0.0000000 -1.9207798 4 O -2.1328811 0.4757529 0.0000000 0.7793460 -2.4129369 0.0000000 0.0000000 0.0000000 -1.9207798 5 O -1.9767471 0.8225330 -0.0228524 0.6325583 -2.0384150 0.0852604 0.1429668 -0.1831522 -2.3662402 6 O -1.9767471 0.8225330 0.0228524 0.6325583 -2.0384150 -0.0852604 -0.1429668 0.1831522 -2.3662402 7 O -1.9767471 -0.8225330 -0.0228524 -0.6325583 -2.0384150 -0.0852604 0.1429668 0.1831522 -2.3662402 8 O -1.9767471 -0.8225330 0.0228524 -0.6325583 -2.0384150 0.0852604 -0.1429668 -0.1831522 -2.3662402 9 Ga 2.5910061 -0.0306662 -0.0413229 -0.1246025 2.8267853 -0.1369807 0.0463850 -0.0882699 2.9905866 10 Ga 2.5910061 -0.0306662 0.0413229 -0.1246025 2.8267853 0.1369807 -0.0463850 0.0882699 2.9905866 11 Ga 2.5910061 0.0306662 0.0413229 0.1246025 2.8267853 -0.1369807 -0.0463850 -0.0882699 2.9905866 12 Ga 2.5910061 0.0306662 -0.0413229 0.1246025 2.8267853 0.1369807 0.0463850 0.0882699 2.9905866 13 Pb 3.5601550 0.0000000 0.0000000 0.0000000 2.7473183 0.1161807 0.0000000 0.0081571 2.7262629 14 Pb 3.5601550 0.0000000 0.0000000 0.0000000 2.7473183 -0.1161807 0.0000000 -0.0081571 2.7262629 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yyy) 0.00000004 (yyy) 0.00000004 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 11 11 ] 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: 0.70, Number of G-points: 311, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 144 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 0.804 ( 0.000 -0.000 0.000) 0.000 1.544 ( 0.000 -0.000 -0.000) 0.000 2.357 ( 0.000 -0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 -0.000) 0.000 2.753 ( 0.000 -0.000 0.000) 0.000 3.203 ( 0.000 0.000 -0.000) 0.000 3.543 ( 0.000 -0.000 -0.000) 0.000 3.618 ( 0.000 0.000 -0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.766 ( 0.000 0.000 -0.000) 0.000 5.915 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 -0.000 0.000) 0.000 7.390 ( 0.000 0.000 -0.000) 0.000 7.491 ( 0.000 -0.000 -0.000) 0.000 7.984 ( 0.000 -0.000 0.000) 0.000 9.019 ( 0.000 0.000 -0.000) 0.000 9.384 ( 0.000 -0.000 -0.000) 0.000 9.730 ( 0.000 -0.000 -0.000) 0.000 11.585 ( 0.000 0.000 0.000) 0.000 11.644 ( 0.000 -0.000 0.000) 0.000 12.639 ( 0.000 0.000 0.000) 0.000 12.659 ( 0.000 0.000 0.000) 0.000 14.602 ( 0.000 0.000 -0.000) 0.000 15.004 ( 0.000 0.000 -0.000) 0.000 15.150 ( 0.000 0.000 -0.000) 0.000 16.281 ( 0.000 -0.000 0.000) 0.000 19.079 ( 0.000 -0.000 -0.000) 0.000 19.328 ( 0.000 -0.000 0.000) 0.000 19.572 ( 0.000 0.000 0.000) 0.000 19.842 ( 0.000 0.000 -0.000) 0.000 19.962 ( 0.000 0.000 -0.000) 0.000 21.599 ( 0.000 0.000 -0.000) 0.000 21.969 ( 0.000 -0.000 0.000) 0.000 22.475 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 17.594 0.000 0.000) 17.594 0.453 ( 22.909 0.000 0.000) 22.909 0.739 ( 30.325 0.000 0.000) 30.325 1.164 ( 9.542 0.000 -0.000) 9.542 1.606 ( 4.953 0.000 0.000) 4.953 2.388 ( 2.933 0.000 -0.000) 2.933 2.462 ( -11.206 0.000 -0.000) 11.206 2.794 ( 1.336 0.000 -0.000) 1.336 3.320 ( 9.036 0.000 0.000) 9.036 3.362 ( -8.244 0.000 -0.000) 8.244 3.402 ( -12.825 0.000 0.000) 12.825 3.636 ( 0.647 0.000 0.000) 0.647 4.692 ( 0.765 0.000 0.000) 0.765 5.158 ( -7.374 0.000 0.000) 7.374 5.363 ( 5.388 0.000 0.000) 5.388 5.833 ( 2.844 0.000 0.000) 2.844 5.996 ( 7.294 0.000 -0.000) 7.294 6.574 ( -3.887 0.000 -0.000) 3.887 7.114 ( -0.949 0.000 -0.000) 0.949 7.339 ( -4.868 0.000 0.000) 4.868 7.529 ( 3.784 0.000 -0.000) 3.784 7.950 ( -2.829 0.000 0.000) 2.829 9.025 ( 0.587 0.000 -0.000) 0.587 9.200 ( -3.340 0.000 0.000) 3.340 9.420 ( 2.954 0.000 -0.000) 2.954 9.701 ( -2.802 0.000 -0.000) 2.802 11.628 ( 3.946 0.000 0.000) 3.946 11.673 ( 2.697 0.000 0.000) 2.697 12.629 ( -1.043 0.000 -0.000) 1.043 12.643 ( -1.500 0.000 0.000) 1.500 14.617 ( 1.605 0.000 -0.000) 1.605 14.965 ( -3.770 0.000 -0.000) 3.770 16.291 ( 0.967 0.000 -0.000) 0.967 16.380 ( -0.390 0.000 0.000) 0.390 19.338 ( 1.096 0.000 0.000) 1.096 19.544 ( -2.594 0.000 0.000) 2.594 19.837 ( 1.655 0.000 -0.000) 1.655 19.956 ( -0.633 0.000 0.000) 0.633 20.970 ( 3.460 0.000 0.000) 3.460 21.517 ( -7.068 0.000 0.000) 7.068 22.044 ( 6.351 0.000 -0.000) 6.351 22.467 ( -2.176 0.000 0.000) 2.176 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 10.866 0.000 0.000) 10.866 0.844 ( 11.333 0.000 0.000) 11.333 0.999 ( 9.715 0.000 -0.000) 9.715 1.616 ( -7.296 0.000 0.000) 7.296 1.675 ( 34.505 0.000 0.000) 34.505 2.344 ( 1.422 0.000 -0.000) 1.422 2.456 ( 3.178 0.000 0.000) 3.178 2.729 ( -11.055 0.000 -0.000) 11.055 3.136 ( -10.737 0.000 0.000) 10.737 3.178 ( -9.498 0.000 0.000) 9.498 3.477 ( 6.217 0.000 -0.000) 6.217 3.624 ( -1.875 0.000 0.000) 1.875 4.707 ( 2.174 0.000 -0.000) 2.174 4.985 ( -9.713 0.000 0.000) 9.713 5.545 ( 12.034 0.000 -0.000) 12.034 5.861 ( -1.004 0.000 0.000) 1.004 6.157 ( 8.521 0.000 -0.000) 8.521 6.465 ( -7.026 0.000 0.000) 7.026 7.101 ( 0.094 0.000 -0.000) 0.094 7.225 ( -5.997 0.000 0.000) 5.997 7.627 ( 5.982 0.000 -0.000) 5.982 7.869 ( -5.314 0.000 -0.000) 5.314 9.043 ( 1.356 0.000 0.000) 1.356 9.133 ( -3.237 0.000 -0.000) 3.237 9.483 ( 3.430 0.000 0.000) 3.430 9.632 ( -3.990 0.000 0.000) 3.990 11.713 ( 4.078 0.000 -0.000) 4.078 11.732 ( 2.859 0.000 -0.000) 2.859 12.604 ( -1.260 0.000 0.000) 1.260 12.609 ( -1.676 0.000 -0.000) 1.676 14.667 ( 3.604 0.000 0.000) 3.604 14.869 ( -5.772 0.000 0.000) 5.772 16.316 ( 1.473 0.000 -0.000) 1.473 16.367 ( -0.912 0.000 -0.000) 0.912 19.370 ( 2.135 0.000 0.000) 2.135 19.483 ( -3.350 0.000 0.000) 3.350 19.874 ( 1.956 0.000 0.000) 1.956 19.938 ( -1.205 0.000 0.000) 1.205 21.066 ( 6.145 0.000 0.000) 6.145 21.362 ( -8.370 0.000 0.000) 8.370 22.178 ( 6.976 0.000 -0.000) 6.976 22.404 ( -4.199 0.000 -0.000) 4.199 ======================= Grid point 3 (4/144) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -5.952 0.000 0.000) 5.952 0.831 ( 5.952 0.000 0.000) 5.952 1.339 ( -18.627 0.000 0.000) 18.627 1.339 ( 18.627 0.000 0.000) 18.627 2.297 ( -25.958 0.000 0.000) 25.958 2.297 ( 25.958 0.000 0.000) 25.958 2.464 ( -1.594 0.000 -0.000) 1.594 2.464 ( 1.594 0.000 0.000) 1.594 3.054 ( -1.726 0.000 -0.000) 1.726 3.054 ( 1.726 0.000 0.000) 1.726 3.569 ( -3.634 0.000 0.000) 3.634 3.569 ( 3.634 0.000 0.000) 3.634 4.807 ( -7.853 0.000 -0.000) 7.853 4.807 ( 7.853 0.000 0.000) 7.853 5.765 ( -8.970 0.000 -0.000) 8.970 5.765 ( 8.970 0.000 -0.000) 8.970 6.317 ( -7.934 0.000 0.000) 7.934 6.317 ( 7.934 0.000 -0.000) 7.934 7.131 ( -3.247 0.000 -0.000) 3.247 7.131 ( 3.247 0.000 -0.000) 3.247 7.751 ( -6.501 0.000 -0.000) 6.501 7.751 ( 6.501 0.000 -0.000) 6.501 9.079 ( -2.316 0.000 0.000) 2.316 9.079 ( 2.316 0.000 -0.000) 2.316 9.554 ( -3.861 0.000 -0.000) 3.861 9.554 ( 3.861 0.000 0.000) 3.861 11.761 ( -0.406 0.000 0.000) 0.406 11.761 ( 0.406 0.000 0.000) 0.406 12.590 ( -0.091 0.000 0.000) 0.091 12.590 ( 0.091 0.000 0.000) 0.091 14.756 ( -5.435 0.000 0.000) 5.435 14.756 ( 5.435 0.000 0.000) 5.435 16.344 ( -1.386 0.000 0.000) 1.386 16.344 ( 1.386 0.000 0.000) 1.386 19.420 ( -2.987 0.000 0.000) 2.987 19.420 ( 2.987 0.000 0.000) 2.987 19.910 ( -1.674 0.000 0.000) 1.674 19.910 ( 1.674 0.000 0.000) 1.674 21.203 ( -7.794 0.000 -0.000) 7.794 21.203 ( 7.794 0.000 0.000) 7.794 22.305 ( -5.900 0.000 -0.000) 5.900 22.305 ( 5.900 0.000 0.000) 5.900 ======================= Grid point 7 (5/144) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 0.000 5.851 20.271) 21.099 0.437 ( 0.000 17.386 14.854) 22.867 0.768 ( 0.000 5.740 38.539) 38.964 0.998 ( 0.000 14.098 10.838) 17.783 1.639 ( 0.000 11.905 -2.823) 12.235 2.337 ( 0.000 -5.108 0.932) 5.193 2.408 ( 0.000 -3.966 0.954) 4.079 2.592 ( 0.000 5.688 -6.537) 8.666 2.765 ( 0.000 7.105 -6.668) 9.744 3.259 ( 0.000 3.941 4.265) 5.807 3.555 ( 0.000 2.119 -0.754) 2.249 3.768 ( 0.000 -2.487 1.090) 2.716 4.610 ( 0.000 -4.686 -4.699) 6.636 5.169 ( 0.000 -1.850 -8.630) 8.826 5.304 ( 0.000 -10.225 4.573) 11.201 5.811 ( 0.000 14.798 -4.181) 15.377 5.909 ( 0.000 2.197 -2.842) 3.592 6.762 ( 0.000 -6.540 8.092) 10.404 6.949 ( 0.000 -13.497 -2.224) 13.679 7.220 ( 0.000 9.383 1.066) 9.443 7.426 ( 0.000 -10.651 1.416) 10.745 7.626 ( 0.000 -3.331 1.565) 3.680 7.965 ( 0.000 -0.953 -1.558) 1.826 8.965 ( 0.000 -4.117 -5.721) 7.049 9.456 ( 0.000 8.100 1.232) 8.193 10.035 ( 0.000 46.945 -23.528) 52.511 11.601 ( 0.000 1.434 1.004) 1.751 11.659 ( 0.000 0.797 -0.302) 0.852 12.638 ( 0.000 -0.433 -1.921) 1.969 13.707 ( 0.000 -21.281 9.493) 23.302 14.627 ( 0.000 -1.586 3.685) 4.012 15.152 ( 0.000 0.780 -0.238) 0.815 15.736 ( 0.000 -54.807 32.930) 63.939 16.982 ( 0.000 38.734 -21.797) 44.446 19.073 ( 0.000 -0.164 -0.678) 0.697 19.311 ( 0.000 -0.264 -1.602) 1.624 19.830 ( 0.000 0.099 -1.433) 1.437 19.854 ( 0.000 -15.989 7.627) 17.715 21.010 ( 0.000 -10.386 4.077) 11.158 21.596 ( 0.000 -4.396 2.137) 4.888 22.163 ( 0.000 27.154 -15.827) 31.429 22.512 ( 0.000 5.393 1.050) 5.494 ======================= Grid point 8 (6/144) ======================= q-point: ( 0.17 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 12.229 7.147 10.673) 17.735 0.631 ( 14.987 6.360 14.111) 21.544 0.991 ( 15.719 8.823 19.697) 26.701 1.268 ( 16.780 8.115 7.890) 20.241 1.628 ( 2.650 2.606 1.380) 3.965 2.362 ( 0.973 -3.454 -1.503) 3.890 2.454 ( -7.635 1.857 -2.685) 8.303 2.703 ( 4.431 -6.907 -6.087) 10.218 3.008 ( 17.113 -3.046 -16.526) 23.985 3.346 ( 4.123 2.630 1.683) 5.172 3.439 ( -8.873 3.749 1.347) 9.726 3.690 ( -5.063 0.789 1.958) 5.485 4.644 ( 1.894 -4.154 -3.594) 5.811 5.047 ( -8.123 -1.355 -9.097) 12.271 5.347 ( 4.582 -5.973 1.734) 7.725 5.819 ( -0.041 7.737 -5.729) 9.627 5.997 ( 7.518 3.936 -2.666) 8.895 6.643 ( -5.177 -1.762 7.179) 9.025 7.086 ( 0.673 -10.124 -0.017) 10.146 7.257 ( -1.892 -3.744 -3.066) 5.196 7.510 ( 4.661 -3.191 -0.997) 5.736 7.914 ( 0.829 -2.853 -4.680) 5.544 8.170 ( 33.878 -27.834 -20.132) 48.246 8.968 ( 0.286 -4.571 -6.173) 7.686 9.473 ( 2.038 8.982 0.434) 9.220 9.968 ( -5.938 39.948 -15.117) 43.123 11.637 ( 3.302 0.270 0.596) 3.366 11.682 ( 2.494 1.690 0.195) 3.019 12.626 ( -1.090 -0.506 -1.461) 1.892 13.187 ( -29.767 -4.035 27.729) 40.881 14.646 ( 1.862 -1.281 3.714) 4.348 15.065 ( -5.635 0.101 7.259) 9.189 15.992 ( 14.394 -34.274 8.746) 38.189 16.726 ( -14.675 29.616 -3.005) 33.188 19.295 ( 6.625 -3.889 -8.250) 11.273 19.333 ( 4.620 0.336 -6.601) 8.064 19.832 ( 0.985 -1.451 -0.198) 1.765 19.888 ( 1.975 -10.267 2.317) 10.709 20.985 ( -0.176 -6.366 3.169) 7.113 21.510 ( -7.669 -3.917 1.263) 8.703 22.150 ( 2.144 17.580 -3.961) 18.148 22.501 ( -1.693 5.394 0.848) 5.717 ======================= Grid point 9 (7/144) ======================= q-point: ( 0.33 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 10.702 8.326 5.047) 14.468 0.938 ( 12.458 3.273 7.091) 14.703 1.111 ( 4.191 11.166 8.945) 14.908 1.619 ( -5.037 -0.323 1.525) 5.273 1.778 ( 28.617 1.506 9.034) 30.047 2.330 ( 1.132 -2.423 -1.122) 2.900 2.439 ( 2.096 -1.321 -1.364) 2.828 2.678 ( -8.302 -2.942 -3.992) 9.670 3.120 ( -3.090 -2.480 -2.818) 4.862 3.192 ( -8.589 5.683 1.336) 10.386 3.476 ( 4.684 -1.271 0.769) 4.914 3.629 ( -1.757 5.126 -0.394) 5.433 4.665 ( 1.330 -4.100 -2.419) 4.942 4.887 ( -8.057 -2.372 -8.095) 11.665 5.499 ( 10.182 -2.334 -3.787) 11.112 5.799 ( -2.635 3.567 -7.721) 8.904 6.158 ( 8.487 1.442 -2.092) 8.860 6.526 ( -6.994 1.037 5.670) 9.063 7.081 ( -0.205 -6.889 0.695) 6.927 7.182 ( -4.403 -4.466 -0.458) 6.288 7.616 ( 6.154 -3.944 0.081) 7.310 7.861 ( -4.579 -1.945 -0.171) 4.978 8.609 ( 11.531 -27.723 -18.615) 35.328 8.971 ( -0.055 -6.724 -6.384) 9.272 9.537 ( 4.086 11.511 -1.850) 12.354 9.841 ( -6.328 28.140 -4.505) 29.193 11.709 ( 3.471 -1.057 -0.446) 3.656 11.745 ( 3.227 2.492 0.656) 4.129 12.605 ( -0.643 -1.027 0.267) 1.241 12.805 ( -11.429 2.986 15.025) 19.112 14.703 ( 4.044 -1.196 4.261) 5.996 14.944 ( -6.666 0.415 7.182) 9.808 16.209 ( 8.757 -14.587 2.807) 17.244 16.510 ( -8.508 13.043 1.447) 15.640 19.339 ( 1.709 -1.279 -2.762) 3.491 19.397 ( 0.139 -1.263 -7.331) 7.441 19.862 ( 1.824 -0.689 -1.000) 2.191 19.908 ( 0.046 -4.508 -0.235) 4.514 21.037 ( 5.184 -5.858 0.464) 7.836 21.342 ( -8.989 -4.512 0.445) 10.067 22.239 ( 5.847 9.755 0.111) 11.373 22.445 ( -3.919 5.845 1.123) 7.126 ======================= Grid point 10 (8/144) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.000 8.130 5.877) 10.031 0.946 ( 0.000 9.470 5.192) 10.800 1.362 ( 0.000 1.697 3.381) 3.783 1.390 ( -0.000 4.336 4.594) 6.317 2.289 ( -0.000 -5.806 1.703) 6.050 2.324 ( 0.000 -2.722 1.622) 3.168 2.439 ( 0.000 -1.207 -0.281) 1.239 2.450 ( 0.000 -0.985 -1.196) 1.549 3.072 ( 0.000 1.837 0.996) 2.089 3.107 ( 0.000 5.057 2.851) 5.805 3.532 ( -0.000 -1.283 -2.644) 2.939 3.605 ( 0.000 6.015 1.380) 6.171 4.713 ( -0.000 -6.029 -5.996) 8.503 4.768 ( 0.000 -1.075 -3.800) 3.949 5.673 ( 0.000 -1.578 -8.446) 8.592 5.712 ( -0.000 2.531 -6.601) 7.070 6.281 ( 0.000 -5.493 -1.471) 5.687 6.415 ( -0.000 7.860 5.016) 9.324 7.086 ( 0.000 -6.908 -0.594) 6.933 7.127 ( -0.000 -3.771 1.970) 4.255 7.720 ( 0.000 -6.018 -1.235) 6.143 7.772 ( 0.000 -0.668 2.585) 2.670 8.710 ( 0.000 -22.887 -15.198) 27.473 8.969 ( 0.000 -8.543 -6.041) 10.463 9.594 ( 0.000 14.823 -4.660) 15.538 9.763 ( -0.000 21.197 0.922) 21.217 11.748 ( 0.000 -0.980 -0.761) 1.241 11.780 ( 0.000 2.110 0.740) 2.236 12.605 ( 0.000 -2.834 2.969) 4.104 12.692 ( 0.000 5.829 6.868) 9.008 14.782 ( 0.000 -2.976 4.589) 5.469 14.837 ( -0.000 2.359 6.722) 7.124 16.351 ( 0.000 -1.536 1.660) 2.262 16.371 ( -0.000 0.363 2.285) 2.314 19.374 ( -1.791 -1.131 -4.114) 4.627 19.374 ( 1.791 -1.117 -4.103) 4.614 19.893 ( -0.000 -1.744 -0.935) 1.979 19.896 ( 0.000 -1.372 -0.792) 1.584 21.152 ( -0.000 -7.221 -0.974) 7.286 21.191 ( 0.000 -3.710 0.730) 3.781 22.351 ( -0.000 6.720 0.922) 6.783 22.354 ( 0.000 7.217 1.046) 7.292 ======================= Grid point 14 (9/144) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.000 5.243 16.066) 16.900 0.837 ( 0.000 16.342 11.973) 20.259 1.327 ( 0.000 11.025 10.707) 15.368 1.376 ( 0.000 -0.570 26.461) 26.467 1.768 ( 0.000 9.529 6.532) 11.553 2.303 ( 0.000 -3.002 -0.017) 3.002 2.386 ( 0.000 -2.053 0.324) 2.079 2.550 ( 0.000 7.445 -4.158) 8.527 2.711 ( 0.000 4.512 -5.832) 7.374 3.421 ( 0.000 8.552 6.994) 11.048 3.540 ( 0.000 0.060 -2.709) 2.710 3.803 ( 0.000 4.194 3.457) 5.435 4.431 ( 0.000 -8.856 -7.517) 11.616 4.965 ( 0.000 -0.055 -12.535) 12.535 5.308 ( 0.000 -8.865 6.339) 10.898 5.854 ( 0.000 2.289 -6.296) 6.699 5.876 ( 0.000 17.037 -6.548) 18.252 6.750 ( 0.000 -14.908 -4.531) 15.581 6.843 ( 0.000 -6.060 7.488) 9.633 7.300 ( 0.000 -14.555 -1.629) 14.646 7.319 ( 0.000 5.989 1.260) 6.120 7.635 ( 0.000 -0.530 1.886) 1.959 7.920 ( 0.000 -0.444 -2.480) 2.520 8.834 ( 0.000 -3.511 -4.373) 5.608 9.555 ( 0.000 6.503 1.933) 6.784 10.084 ( 0.000 23.817 -11.000) 26.235 11.647 ( 0.000 2.517 1.950) 3.184 11.666 ( 0.000 1.655 -0.231) 1.671 12.600 ( 0.000 -0.061 -1.599) 1.600 13.639 ( 0.000 -8.246 -0.887) 8.293 14.689 ( 0.000 -3.042 5.805) 6.554 15.154 ( 0.000 1.323 -0.747) 1.519 15.782 ( 0.000 -26.321 17.582) 31.654 16.982 ( 0.000 17.041 -9.432) 19.477 19.050 ( 0.000 -0.865 -1.510) 1.740 19.279 ( 0.000 0.512 -1.808) 1.879 19.795 ( 0.000 -0.051 -2.593) 2.593 19.821 ( 0.000 -9.109 2.721) 9.507 20.969 ( 0.000 -5.242 0.164) 5.244 21.591 ( 0.000 -6.310 3.372) 7.154 22.151 ( 0.000 12.709 -7.804) 14.914 22.604 ( 0.000 7.888 1.622) 8.053 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.17 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 4.884 11.239 11.597) 16.872 0.934 ( 9.306 0.542 16.377) 18.844 1.414 ( 4.617 7.685 16.084) 18.414 1.533 ( 14.169 3.924 11.977) 18.963 1.741 ( 0.748 7.993 7.192) 10.779 2.277 ( -1.344 -4.487 -2.341) 5.236 2.386 ( -2.380 -1.403 -3.846) 4.735 2.579 ( 1.198 -0.770 -2.856) 3.191 2.848 ( 12.709 3.544 -5.958) 14.477 3.419 ( -5.990 3.404 1.108) 6.978 3.522 ( 2.635 6.728 3.758) 8.145 3.759 ( -3.267 5.281 4.368) 7.592 4.488 ( 4.376 -8.230 -6.936) 11.618 4.869 ( -7.654 1.424 -10.718) 13.247 5.319 ( 1.207 -7.341 2.627) 7.889 5.790 ( -3.681 9.960 -7.763) 13.154 5.965 ( 5.839 4.550 -5.773) 9.387 6.739 ( -3.151 -1.923 4.491) 5.814 6.905 ( 5.073 -17.120 -2.398) 18.016 7.203 ( -3.618 -11.537 0.990) 12.131 7.442 ( 4.616 0.213 -2.335) 5.177 7.759 ( 10.343 -1.948 -4.259) 11.354 7.964 ( 6.216 -3.561 -0.881) 7.218 8.823 ( -1.134 -3.709 -5.242) 6.521 9.569 ( 1.544 7.902 0.964) 8.109 10.051 ( -3.278 22.620 -9.629) 24.802 11.647 ( 1.126 0.100 0.380) 1.192 11.718 ( 3.909 3.339 1.100) 5.257 12.597 ( -0.181 -0.217 -1.009) 1.048 13.396 ( -19.813 -3.252 5.038) 20.700 14.711 ( 2.249 -2.880 5.927) 6.963 15.151 ( -1.876 0.535 2.386) 3.082 15.905 ( 11.041 -21.759 10.737) 26.658 16.858 ( -10.802 14.788 -4.581) 18.877 19.137 ( 6.716 -1.883 -5.037) 8.603 19.284 ( 0.480 0.588 -2.366) 2.484 19.800 ( 0.807 -1.263 -1.798) 2.341 19.837 ( 1.246 -7.002 1.104) 7.197 20.958 ( -0.448 -4.920 0.451) 4.961 21.490 ( -8.846 -5.920 2.059) 10.841 22.213 ( 5.458 11.314 -4.252) 13.262 22.590 ( -1.568 7.818 1.538) 8.120 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.33 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 8.517 6.787 10.076) 14.837 1.125 ( 7.308 1.123 10.828) 13.112 1.442 ( 0.982 11.915 13.288) 17.875 1.685 ( -1.270 1.803 5.384) 5.818 1.950 ( 18.125 1.283 7.216) 19.551 2.243 ( -0.900 -5.749 -3.762) 6.929 2.369 ( 0.892 -3.740 -3.765) 5.381 2.571 ( -3.200 -2.296 -3.768) 5.451 3.059 ( 7.275 -0.565 -2.595) 7.744 3.265 ( -7.099 5.386 0.180) 8.913 3.545 ( -1.095 3.955 6.863) 7.997 3.733 ( 0.683 9.242 4.421) 10.268 4.545 ( 0.987 -6.220 -5.482) 8.350 4.730 ( -5.858 0.916 -7.862) 9.847 5.384 ( 5.712 -4.027 -5.383) 8.821 5.705 ( -5.133 7.701 -8.924) 12.857 6.086 ( 5.906 -3.290 -5.064) 8.447 6.647 ( -5.291 5.281 3.965) 8.462 6.973 ( 1.991 -14.010 -1.274) 14.208 7.144 ( -2.615 -13.191 3.203) 13.824 7.525 ( 4.213 -4.624 -3.996) 7.423 7.841 ( -0.420 -0.149 0.069) 0.451 8.194 ( 12.409 -10.663 -7.871) 18.156 8.791 ( -2.001 -4.654 -7.177) 8.785 9.618 ( 3.254 11.781 -1.884) 12.366 9.969 ( -4.501 18.861 -6.127) 20.336 11.688 ( 2.554 -1.264 -0.600) 2.912 11.790 ( 2.920 3.170 1.162) 4.464 12.604 ( 1.114 -1.167 0.886) 1.841 13.037 ( -14.832 3.550 7.224) 16.875 14.778 ( 4.588 -2.841 6.559) 8.493 15.069 ( -5.936 -0.111 5.920) 8.384 16.145 ( 12.695 -11.776 4.317) 17.846 16.626 ( -12.248 7.802 0.058) 14.522 19.241 ( 3.472 -1.927 -5.632) 6.891 19.293 ( 0.201 0.323 -3.794) 3.813 19.826 ( 1.575 -1.671 -1.819) 2.930 19.858 ( 0.623 -4.362 -0.537) 4.439 20.983 ( 3.483 -5.895 0.228) 6.851 21.300 ( -9.815 -6.029 0.807) 11.547 22.333 ( 6.401 9.614 -0.584) 11.564 22.539 ( -3.620 8.012 1.471) 8.915 ======================= Grid point 17 (12/144) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -0.000 6.376 6.750) 9.286 1.135 ( 0.000 4.421 9.690) 10.651 1.527 ( 0.000 5.869 10.510) 12.038 1.587 ( -0.000 8.117 9.538) 12.525 2.220 ( -0.000 -6.971 -6.257) 9.367 2.232 ( 0.000 -7.835 -0.585) 7.857 2.383 ( 0.000 -4.307 -3.997) 5.876 2.479 ( 0.000 0.939 3.131) 3.268 3.132 ( -0.000 4.026 2.727) 4.863 3.186 ( 0.000 2.951 -1.463) 3.294 3.530 ( 0.000 2.671 4.682) 5.390 3.744 ( 0.000 9.929 5.658) 11.428 4.547 ( -0.000 -4.328 -5.748) 7.195 4.668 ( 0.000 -1.046 -5.768) 5.862 5.481 ( 0.000 -1.899 -10.854) 11.019 5.622 ( -0.000 5.554 -7.628) 9.436 6.154 ( 0.000 -8.795 -4.838) 10.038 6.583 ( 0.000 10.577 2.948) 10.981 6.993 ( 0.000 -11.675 -0.072) 11.675 7.114 ( -0.000 -13.640 4.175) 14.265 7.577 ( -0.000 -7.165 -5.663) 9.133 7.825 ( 0.000 -0.178 3.922) 3.926 8.325 ( 0.000 -11.141 -8.893) 14.255 8.765 ( 0.000 -5.630 -8.439) 10.144 9.662 ( 0.000 15.230 -4.427) 15.861 9.913 ( -0.000 15.309 -3.307) 15.662 11.719 ( 0.000 -1.560 -1.123) 1.922 11.819 ( 0.000 2.618 1.008) 2.806 12.627 ( 0.000 -3.449 2.968) 4.550 12.876 ( 0.000 7.903 5.377) 9.559 14.853 ( 0.000 -3.939 7.412) 8.394 14.977 ( 0.000 0.959 6.336) 6.408 16.374 ( 0.000 -1.822 2.951) 3.468 16.402 ( -0.000 -1.288 1.048) 1.660 19.280 ( -0.000 -1.142 -4.771) 4.905 19.288 ( 0.000 -0.359 -4.434) 4.448 19.848 ( -0.000 -2.895 -1.551) 3.285 19.860 ( 0.000 -1.877 -1.483) 2.392 21.062 ( -0.000 -8.136 -0.159) 8.137 21.158 ( 0.000 -4.841 0.419) 4.859 22.444 ( -0.000 8.064 0.987) 8.124 22.456 ( 0.000 9.087 1.005) 9.143 ======================= Grid point 21 (13/144) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.000 3.985 8.235) 9.149 1.156 ( 0.000 12.986 8.438) 15.487 1.546 ( 0.000 0.718 8.213) 8.244 1.691 ( 0.000 -1.049 14.000) 14.039 1.985 ( 0.000 3.731 7.847) 8.689 2.298 ( 0.000 6.115 -1.689) 6.344 2.379 ( 0.000 -1.199 -0.370) 1.255 2.622 ( 0.000 5.848 4.651) 7.472 2.659 ( 0.000 3.257 -4.008) 5.164 3.452 ( 0.000 -3.569 -5.600) 6.640 3.634 ( 0.000 8.862 5.634) 10.501 4.012 ( 0.000 9.153 13.219) 16.079 4.227 ( 0.000 -6.473 -4.946) 8.147 4.778 ( 0.000 4.958 -10.254) 11.390 5.320 ( 0.000 -5.644 1.942) 5.969 5.739 ( 0.000 2.472 -9.209) 9.535 5.908 ( 0.000 10.267 -5.532) 11.662 6.531 ( 0.000 -11.590 -4.394) 12.395 6.852 ( 0.000 -13.029 1.112) 13.077 7.130 ( 0.000 -10.334 -1.044) 10.387 7.360 ( 0.000 0.493 -0.689) 0.847 7.679 ( 0.000 0.673 2.896) 2.974 7.885 ( 0.000 1.872 -2.019) 2.753 8.750 ( 0.000 -1.184 -2.859) 3.094 9.649 ( 0.000 3.242 3.465) 4.745 10.105 ( 0.000 15.212 -8.517) 17.434 11.686 ( 0.000 2.285 0.354) 2.312 11.714 ( 0.000 2.989 2.659) 4.000 12.595 ( 0.000 0.730 0.823) 1.100 13.516 ( 0.000 -4.218 -6.101) 7.417 14.761 ( 0.000 -3.698 6.122) 7.152 15.147 ( 0.000 1.287 -1.699) 2.131 15.824 ( 0.000 -16.254 10.964) 19.606 16.988 ( 0.000 9.378 -4.665) 10.474 19.008 ( 0.000 -1.406 -1.829) 2.307 19.264 ( 0.000 1.496 -1.107) 1.861 19.743 ( 0.000 -0.305 -3.045) 3.060 19.776 ( 0.000 -6.412 0.833) 6.466 20.920 ( 0.000 -3.166 -1.049) 3.335 21.591 ( 0.000 -5.804 3.442) 6.748 22.142 ( 0.000 7.398 -4.479) 8.648 22.708 ( 0.000 7.385 1.543) 7.545 ======================= Grid point 22 (14/144) ======================= q-point: ( 0.17 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 4.275 5.660 7.259) 10.149 1.206 ( 5.262 4.618 12.061) 13.946 1.650 ( 8.217 0.166 5.367) 9.816 1.717 ( 2.295 -0.781 10.702) 10.973 1.952 ( -1.427 3.827 7.344) 8.403 2.263 ( -4.048 3.459 1.278) 5.476 2.327 ( -3.423 0.238 -2.798) 4.428 2.557 ( -2.449 1.126 0.402) 2.725 2.819 ( 10.277 2.675 -1.332) 10.703 3.398 ( -4.885 -1.592 -4.161) 6.611 3.707 ( 5.199 9.600 5.970) 12.443 3.985 ( -2.000 9.656 12.996) 16.314 4.287 ( 5.392 -6.454 -5.610) 10.109 4.732 ( -3.851 6.490 -8.363) 11.265 5.286 ( -2.882 -5.323 0.224) 6.057 5.723 ( -2.211 5.984 -9.551) 11.486 5.907 ( 0.523 3.970 -4.997) 6.403 6.614 ( 6.732 -15.818 -5.147) 17.945 6.827 ( -2.871 -6.626 0.988) 7.289 7.040 ( -4.487 -13.019 -1.656) 13.870 7.473 ( 5.027 3.532 1.537) 6.333 7.699 ( 5.054 -2.195 -1.681) 5.760 7.943 ( 4.706 0.385 0.011) 4.722 8.722 ( -2.806 -1.290 -3.669) 4.796 9.661 ( 1.314 4.729 2.629) 5.568 10.080 ( -2.512 14.674 -7.835) 16.824 11.657 ( -0.725 0.653 0.458) 1.078 11.778 ( 4.043 3.472 1.852) 5.641 12.597 ( 0.371 0.407 1.082) 1.214 13.380 ( -12.099 -1.566 -3.101) 12.588 14.788 ( 2.765 -3.478 6.349) 7.750 15.169 ( 0.727 0.582 -0.644) 1.132 15.900 ( 7.854 -14.532 8.329) 18.500 16.896 ( -8.875 8.009 -3.216) 12.379 19.057 ( 4.438 -1.356 -2.804) 5.422 19.261 ( -0.298 1.448 -1.415) 2.046 19.750 ( 0.787 -1.170 -2.480) 2.853 19.787 ( 0.971 -5.206 -0.005) 5.296 20.914 ( -0.124 -3.255 -0.646) 3.321 21.471 ( -10.231 -5.396 2.156) 11.766 22.239 ( 8.095 6.880 -2.653) 10.950 22.692 ( -1.714 7.291 1.471) 7.633 ======================= Grid point 23 (15/144) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 6.817 4.406 8.522) 11.769 1.327 ( 5.274 -0.405 12.489) 13.563 1.736 ( 1.247 4.983 9.892) 11.146 1.789 ( 3.673 -1.080 2.377) 4.506 1.992 ( 4.315 -0.377 -0.247) 4.338 2.168 ( -4.704 -1.260 -0.343) 4.882 2.270 ( -1.546 -3.309 -1.836) 4.087 2.541 ( 0.315 1.493 1.194) 1.938 3.001 ( 8.076 -2.107 -2.541) 8.725 3.292 ( -5.564 1.212 -1.819) 5.978 3.739 ( -2.168 5.919 6.883) 9.333 3.977 ( 1.154 12.333 11.543) 16.932 4.400 ( 5.580 -2.156 -3.997) 7.195 4.656 ( -4.092 6.180 -4.121) 8.480 5.255 ( 0.830 -3.274 -4.894) 5.946 5.638 ( -5.855 9.003 -8.718) 13.832 5.939 ( 2.143 -6.145 -5.863) 8.759 6.697 ( -0.932 -12.810 -2.889) 13.165 6.791 ( 2.359 -6.366 -2.143) 7.119 6.987 ( -2.026 -14.249 -1.464) 14.467 7.510 ( 0.845 3.683 2.315) 4.431 7.846 ( 6.174 -0.486 -0.521) 6.215 8.050 ( 6.467 -4.327 -1.757) 7.977 8.648 ( -4.351 -1.633 -5.615) 7.289 9.701 ( 2.599 8.701 0.021) 9.081 10.016 ( -3.593 12.516 -5.706) 14.217 11.664 ( 1.063 -1.145 -0.784) 1.748 11.844 ( 2.297 2.905 1.514) 4.001 12.616 ( 1.538 -0.937 1.657) 2.447 13.135 ( -11.132 3.618 0.662) 11.724 14.868 ( 5.332 -3.054 6.928) 9.260 15.135 ( -4.138 -0.924 2.542) 4.944 16.115 ( 13.361 -9.100 3.381) 16.515 16.672 ( -13.402 3.952 -0.897) 14.001 19.148 ( 4.240 -0.820 -3.466) 5.538 19.250 ( -0.989 1.172 -2.128) 2.623 19.772 ( 1.327 -2.191 -2.006) 3.254 19.805 ( 0.678 -3.331 -1.210) 3.608 20.936 ( 2.756 -4.237 0.056) 5.055 21.258 ( -10.597 -5.298 0.840) 11.877 22.403 ( 8.035 6.839 -0.539) 10.565 22.639 ( -3.795 7.160 1.250) 8.200 ======================= Grid point 24 (16/144) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.000 2.023 8.525) 8.761 1.363 ( 0.000 2.149 12.443) 12.627 1.765 ( 0.000 4.080 8.192) 9.152 1.811 ( -0.000 5.559 6.604) 8.632 2.034 ( -0.000 -5.728 -5.734) 8.105 2.119 ( 0.000 -4.889 -5.184) 7.125 2.269 ( 0.000 -5.364 -0.878) 5.435 2.545 ( 0.000 2.172 3.289) 3.941 3.112 ( -0.000 -3.090 -4.732) 5.652 3.206 ( 0.000 1.210 0.938) 1.531 3.701 ( 0.000 4.251 6.370) 7.658 3.992 ( 0.000 12.262 10.746) 16.304 4.481 ( -0.000 4.398 0.122) 4.399 4.585 ( 0.000 1.757 -3.247) 3.692 5.289 ( 0.000 -0.743 -9.091) 9.122 5.558 ( 0.000 7.540 -7.535) 10.659 5.964 ( 0.000 -9.517 -6.364) 11.449 6.668 ( 0.000 -3.155 -2.194) 3.843 6.841 ( 0.000 -15.283 -2.425) 15.474 6.956 ( -0.000 -12.535 -1.818) 12.666 7.522 ( -0.000 2.734 1.834) 3.292 7.898 ( 0.000 0.643 4.064) 4.115 8.138 ( 0.000 -6.170 -4.927) 7.896 8.592 ( 0.000 -1.909 -6.885) 7.145 9.736 ( 0.000 11.989 -2.315) 12.210 9.971 ( -0.000 10.080 -3.697) 10.736 11.679 ( 0.000 -1.835 -1.619) 2.447 11.865 ( 0.000 2.371 1.480) 2.795 12.639 ( 0.000 -2.794 1.970) 3.419 13.012 ( 0.000 7.180 1.856) 7.416 14.955 ( 0.000 -3.040 8.045) 8.601 15.057 ( 0.000 -1.344 3.226) 3.495 16.372 ( 0.000 -3.371 -1.788) 3.816 16.415 ( -0.000 -1.092 3.229) 3.408 19.204 ( -0.000 -0.304 -3.024) 3.039 19.227 ( 0.000 0.879 -2.805) 2.940 19.789 ( -0.000 -3.140 -1.632) 3.539 19.810 ( 0.000 -1.844 -2.017) 2.733 20.999 ( -0.000 -6.083 0.853) 6.143 21.115 ( 0.000 -4.231 -0.201) 4.236 22.531 ( -0.000 6.556 0.786) 6.603 22.552 ( 0.000 7.470 0.610) 7.495 ======================= Grid point 28 (17/144) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.000 1.719 1.488) 2.274 1.398 ( 0.000 9.006 7.849) 11.946 1.654 ( 0.000 -3.144 6.219) 6.968 1.864 ( 0.000 -1.477 6.096) 6.272 2.121 ( 0.000 1.824 6.199) 6.462 2.305 ( 0.000 -1.498 -6.066) 6.248 2.366 ( 0.000 9.156 0.508) 9.170 2.656 ( 0.000 2.822 0.414) 2.852 2.785 ( 0.000 4.154 7.200) 8.313 3.281 ( 0.000 -6.381 -8.072) 10.290 3.672 ( 0.000 -3.326 -4.528) 5.618 4.261 ( 0.000 9.275 7.963) 12.224 4.318 ( 0.000 1.416 9.855) 9.956 4.810 ( 0.000 17.834 5.287) 18.601 5.229 ( 0.000 -5.196 -7.019) 8.733 5.605 ( 0.000 3.170 -8.729) 9.287 5.862 ( 0.000 -3.521 -3.303) 4.827 6.434 ( 0.000 0.186 0.169) 0.252 6.588 ( 0.000 -21.258 -9.516) 23.291 7.106 ( 0.000 -1.964 2.774) 3.399 7.306 ( 0.000 -3.580 -3.164) 4.778 7.737 ( 0.000 0.706 2.780) 2.868 7.888 ( 0.000 2.986 -0.776) 3.085 8.705 ( 0.000 -0.246 -1.731) 1.748 9.734 ( 0.000 0.409 3.990) 4.011 10.090 ( 0.000 9.665 -6.892) 11.871 11.720 ( 0.000 2.185 0.873) 2.352 11.789 ( 0.000 2.527 2.513) 3.564 12.643 ( 0.000 1.277 3.383) 3.616 13.356 ( 0.000 -2.679 -8.002) 8.439 14.826 ( 0.000 -3.073 5.133) 5.982 15.120 ( 0.000 0.832 -2.541) 2.674 15.845 ( 0.000 -9.675 5.989) 11.379 17.001 ( 0.000 5.087 -2.023) 5.474 18.967 ( 0.000 -1.134 -1.270) 1.703 19.266 ( 0.000 1.524 -0.520) 1.610 19.690 ( 0.000 -0.386 -2.474) 2.504 19.731 ( 0.000 -4.030 0.059) 4.030 20.876 ( 0.000 -1.750 -1.070) 2.051 21.596 ( 0.000 -3.905 2.514) 4.645 22.139 ( 0.000 4.093 -2.306) 4.697 22.792 ( 0.000 5.021 1.024) 5.125 ======================= Grid point 29 (18/144) ======================= q-point: ( 0.17 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 4.733 1.144 2.479) 5.464 1.438 ( 4.213 6.491 8.508) 11.501 1.678 ( 1.935 -4.223 2.843) 5.446 1.861 ( -0.474 -1.062 4.783) 4.922 2.073 ( -3.621 1.375 4.519) 5.952 2.243 ( -5.272 -1.476 -5.144) 7.512 2.366 ( -0.911 6.525 3.681) 7.547 2.625 ( -1.264 4.356 3.269) 5.591 2.848 ( 4.888 0.976 2.777) 5.706 3.258 ( -2.163 -5.317 -7.518) 9.459 3.776 ( 6.556 -2.271 -4.056) 8.036 4.239 ( 0.123 7.038 6.332) 9.468 4.352 ( 3.017 4.948 11.209) 12.619 4.791 ( -1.568 17.736 4.779) 18.436 5.209 ( -2.346 -3.627 -4.421) 6.181 5.576 ( -1.586 0.777 -10.401) 10.550 5.860 ( -1.779 0.108 -3.255) 3.711 6.394 ( -2.176 -14.775 -3.195) 15.273 6.620 ( 1.329 -14.175 -8.341) 16.500 7.023 ( -3.499 1.939 2.729) 4.843 7.489 ( 12.945 -2.329 -1.409) 13.228 7.677 ( -3.006 0.067 1.147) 3.218 7.960 ( 4.756 1.605 0.348) 5.031 8.666 ( -3.873 -0.245 -2.076) 4.401 9.747 ( 1.358 1.685 3.438) 4.062 10.071 ( -1.882 9.289 -6.384) 11.427 11.676 ( -2.578 0.958 0.761) 2.853 11.841 ( 3.436 2.613 1.748) 4.657 12.641 ( -0.192 0.734 2.996) 3.091 13.285 ( -6.503 -0.859 -5.833) 8.778 14.859 ( 3.297 -2.859 5.290) 6.858 15.149 ( 1.983 0.480 -1.963) 2.831 15.899 ( 5.862 -9.053 4.689) 11.760 16.913 ( -8.710 4.254 -1.615) 9.826 19.009 ( 3.986 -0.897 -1.505) 4.354 19.260 ( -0.667 1.512 -0.622) 1.766 19.699 ( 0.860 -0.837 -2.140) 2.454 19.740 ( 0.794 -3.441 -0.373) 3.551 20.877 ( 0.308 -1.839 -0.747) 2.008 21.460 ( -11.347 -3.592 1.628) 12.013 22.257 ( 9.614 3.797 -1.315) 10.420 22.774 ( -1.915 4.935 0.966) 5.381 ======================= Grid point 30 (19/144) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 7.872 -0.406 4.084) 8.877 1.536 ( 4.479 2.863 9.172) 10.601 1.716 ( 1.781 -5.212 -2.702) 6.135 1.853 ( 0.182 -0.917 1.593) 1.847 2.009 ( -2.974 -0.930 -1.452) 3.438 2.127 ( -6.028 -0.272 -0.830) 6.091 2.341 ( -0.850 4.187 8.151) 9.203 2.633 ( 1.532 5.378 4.622) 7.255 2.944 ( 4.726 -3.467 -0.392) 5.874 3.203 ( -3.408 -4.460 -6.160) 8.334 3.784 ( -4.495 -3.238 -3.765) 6.698 4.313 ( 4.344 13.727 10.576) 17.865 4.451 ( 8.205 3.122 7.869) 11.789 4.756 ( -2.611 16.713 4.905) 17.613 5.161 ( -1.259 -1.414 -3.308) 3.811 5.541 ( -3.165 2.841 -10.447) 11.280 5.793 ( -3.381 -3.287 -4.738) 6.685 6.373 ( -0.405 -24.219 -7.932) 25.488 6.627 ( 0.140 -13.118 -5.563) 14.250 6.990 ( -0.951 6.968 2.047) 7.324 7.607 ( 0.322 2.894 3.905) 4.871 7.790 ( 12.443 -3.895 -2.813) 13.339 8.025 ( 1.384 -0.669 0.593) 1.647 8.566 ( -5.793 -0.158 -3.030) 6.539 9.783 ( 2.076 5.080 1.397) 5.663 10.024 ( -2.559 7.701 -4.491) 9.275 11.641 ( -1.044 -0.788 -0.691) 1.480 11.895 ( 1.865 2.053 1.469) 3.139 12.640 ( 0.165 -0.712 1.902) 2.038 13.150 ( -6.116 2.856 -1.984) 7.035 14.950 ( 5.833 -2.348 5.280) 8.211 15.153 ( -2.191 -0.637 0.797) 2.417 16.078 ( 12.108 -6.472 1.138) 13.776 16.685 ( -13.847 1.921 -0.614) 13.993 19.100 ( 4.781 -0.227 -1.607) 5.049 19.238 ( -1.636 1.396 -0.887) 2.326 19.721 ( 1.248 -1.675 -1.618) 2.643 19.755 ( 0.560 -2.301 -1.201) 2.656 20.904 ( 2.878 -2.432 -0.004) 3.768 21.228 ( -11.386 -3.510 0.677) 11.934 22.448 ( 9.297 4.011 -0.273) 10.129 22.715 ( -4.180 4.730 0.778) 6.360 ======================= Grid point 31 (20/144) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 -0.510 5.771) 5.793 1.576 ( 0.000 0.758 9.232) 9.263 1.741 ( -0.000 -2.857 -6.697) 7.281 1.854 ( 0.000 -4.494 -1.210) 4.654 1.984 ( 0.000 -0.899 -6.322) 6.386 2.048 ( -0.000 0.793 5.898) 5.951 2.336 ( 0.000 4.012 8.710) 9.589 2.653 ( 0.000 5.049 5.058) 7.147 3.009 ( -0.000 -4.958 -1.937) 5.323 3.150 ( 0.000 -5.268 -4.835) 7.150 3.722 ( 0.000 -3.218 -4.136) 5.240 4.349 ( 0.000 13.584 14.692) 20.009 4.600 ( -0.000 4.716 1.264) 4.883 4.681 ( 0.000 15.517 10.317) 18.634 5.167 ( 0.000 1.218 -5.243) 5.382 5.483 ( 0.000 4.225 -8.782) 9.746 5.764 ( 0.000 -7.117 -6.704) 9.777 6.368 ( 0.000 -24.910 -9.949) 26.824 6.632 ( 0.000 -14.584 -3.834) 15.080 6.977 ( 0.000 8.871 1.156) 8.946 7.613 ( 0.000 2.478 4.236) 4.908 7.966 ( -0.000 0.725 2.749) 2.843 8.004 ( 0.000 -5.460 -4.096) 6.826 8.493 ( 0.000 0.021 -3.654) 3.654 9.809 ( 0.000 7.826 -0.641) 7.853 9.993 ( 0.000 5.857 -2.562) 6.393 11.632 ( 0.000 -1.582 -1.659) 2.293 11.913 ( 0.000 1.687 1.600) 2.325 12.643 ( 0.000 -1.781 1.081) 2.084 13.085 ( 0.000 4.969 -0.107) 4.970 15.063 ( 0.000 -1.427 6.548) 6.702 15.075 ( 0.000 -1.954 1.150) 2.268 16.288 ( 0.000 -3.833 -3.200) 4.993 16.458 ( -0.000 -0.384 2.370) 2.401 19.167 ( -0.000 0.214 -1.280) 1.298 19.204 ( 0.000 1.286 -1.249) 1.793 19.736 ( 0.000 -2.426 -1.198) 2.706 19.760 ( 0.000 -1.373 -1.833) 2.291 20.970 ( -0.000 -3.552 1.091) 3.716 21.074 ( 0.000 -2.823 -0.443) 2.857 22.595 ( -0.000 4.132 0.499) 4.162 22.619 ( 0.000 4.683 0.305) 4.693 ======================= Grid point 35 (21/144) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.000 0.321 -0.062) 0.327 1.606 ( 0.000 5.616 6.734) 8.769 1.705 ( 0.000 -1.346 2.170) 2.553 1.867 ( 0.000 -3.403 -1.852) 3.874 2.142 ( 0.000 -2.904 -2.212) 3.650 2.281 ( 0.000 3.916 1.421) 4.166 2.458 ( 0.000 4.277 1.179) 4.437 2.718 ( 0.000 1.999 2.977) 3.586 2.912 ( 0.000 1.612 3.301) 3.673 3.088 ( 0.000 -4.583 -5.999) 7.549 3.542 ( 0.000 -3.377 -3.540) 4.892 4.379 ( 0.000 -0.876 0.765) 1.163 4.568 ( 0.000 12.470 11.768) 17.146 4.983 ( 0.000 -8.992 -11.661) 14.725 5.190 ( 0.000 12.623 12.059) 17.458 5.526 ( 0.000 4.638 -3.910) 6.066 5.779 ( 0.000 -3.570 -0.958) 3.697 6.207 ( 0.000 -15.668 -9.556) 18.352 6.485 ( 0.000 2.674 1.608) 3.120 7.135 ( 0.000 -0.342 1.220) 1.267 7.218 ( 0.000 -2.490 -2.193) 3.318 7.778 ( 0.000 0.277 1.166) 1.198 7.903 ( 0.000 1.315 -0.144) 1.323 8.683 ( 0.000 -0.043 -0.621) 0.623 9.786 ( 0.000 -0.491 1.936) 1.997 10.067 ( 0.000 3.691 -2.930) 4.713 11.749 ( 0.000 0.923 0.483) 1.041 11.839 ( 0.000 1.007 1.060) 1.463 12.716 ( 0.000 0.862 2.738) 2.870 13.217 ( 0.000 -1.242 -4.547) 4.713 14.873 ( 0.000 -1.264 2.375) 2.691 15.085 ( 0.000 0.335 -1.590) 1.625 15.848 ( 0.000 -3.299 1.875) 3.795 17.012 ( 0.000 1.655 -0.531) 1.738 18.945 ( 0.000 -0.413 -0.419) 0.588 19.271 ( 0.000 0.631 -0.149) 0.648 19.656 ( 0.000 -0.178 -0.956) 0.973 19.704 ( 0.000 -1.390 -0.058) 1.391 20.852 ( 0.000 -0.563 -0.431) 0.709 21.600 ( 0.000 -1.364 0.917) 1.644 22.140 ( 0.000 1.329 -0.702) 1.502 22.837 ( 0.000 1.760 0.348) 1.794 ======================= Grid point 36 (22/144) ======================= q-point: ( 0.17 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 5.160 0.081 0.274) 5.168 1.619 ( 1.173 3.566 5.613) 6.752 1.693 ( -0.322 -0.414 1.455) 1.546 1.853 ( -1.424 -3.137 -1.964) 3.966 2.114 ( -6.960 -1.560 -0.232) 7.137 2.174 ( -4.008 1.380 -1.069) 4.372 2.499 ( 2.573 3.686 3.782) 5.874 2.711 ( 0.379 2.845 2.108) 3.561 2.918 ( 0.454 0.588 2.912) 3.006 3.078 ( -1.006 -4.122 -5.695) 7.102 3.649 ( 6.245 -3.171 -3.880) 8.007 4.359 ( 1.064 0.821 1.803) 2.249 4.613 ( 3.824 10.767 10.209) 15.323 5.001 ( 1.544 -4.329 -6.808) 8.214 5.186 ( -0.547 9.576 9.229) 13.311 5.437 ( -6.503 2.051 -4.841) 8.363 5.807 ( 0.231 -0.651 -1.828) 1.954 6.138 ( -6.719 -14.827 -6.986) 17.714 6.454 ( -1.383 -2.289 -1.387) 3.013 7.092 ( -0.502 2.701 1.443) 3.103 7.419 ( 14.447 -3.037 -1.748) 14.866 7.710 ( -3.809 0.617 1.084) 4.008 7.976 ( 4.499 0.707 0.129) 4.556 8.642 ( -4.152 -0.014 -0.667) 4.205 9.803 ( 1.571 0.032 1.788) 2.380 10.051 ( -1.509 3.530 -2.774) 4.736 11.696 ( -3.888 0.478 0.427) 3.940 11.882 ( 2.859 0.969 0.713) 3.102 12.697 ( -1.738 0.423 2.094) 2.754 13.191 ( -2.468 -0.374 -3.315) 4.150 14.908 ( 3.473 -1.175 2.373) 4.368 15.121 ( 2.917 0.272 -1.296) 3.203 15.891 ( 4.638 -3.186 1.428) 5.805 16.923 ( -8.897 1.373 -0.447) 9.013 18.987 ( 4.039 -0.307 -0.455) 4.077 19.264 ( -0.760 0.634 -0.166) 1.003 19.666 ( 0.939 -0.307 -0.850) 1.303 19.712 ( 0.682 -1.222 -0.187) 1.412 20.855 ( 0.603 -0.593 -0.308) 0.900 21.456 ( -11.944 -1.247 0.608) 12.025 22.267 ( 10.299 1.225 -0.384) 10.379 22.818 ( -2.048 1.726 0.327) 2.698 ======================= Grid point 37 (23/144) ======================= q-point: ( 0.33 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 8.390 -0.718 0.564) 8.439 1.621 ( -1.159 -0.292 -0.563) 1.321 1.718 ( 1.607 0.618 4.936) 5.227 1.831 ( -0.330 -0.745 -1.944) 2.108 1.933 ( -7.841 -2.278 -2.448) 8.524 2.139 ( -1.433 -0.030 0.716) 1.602 2.537 ( 1.336 4.662 6.604) 8.194 2.745 ( 2.479 3.300 1.771) 4.491 2.932 ( 1.185 -1.855 1.089) 2.456 3.043 ( -2.795 -4.151 -4.657) 6.836 3.650 ( -4.682 -3.250 -4.449) 7.231 4.490 ( 9.771 2.030 1.931) 10.165 4.704 ( 5.760 9.672 10.541) 15.422 5.033 ( 1.250 7.589 0.590) 7.714 5.150 ( -3.122 2.684 6.910) 8.044 5.341 ( -3.038 -1.780 -9.976) 10.579 5.728 ( -7.463 1.240 -1.775) 7.771 6.018 ( -3.911 -16.348 -7.293) 18.324 6.458 ( 1.155 -5.726 -2.071) 6.198 7.084 ( -0.927 4.327 1.153) 4.573 7.673 ( 1.778 0.086 1.264) 2.183 7.715 ( 12.962 -1.801 -1.200) 13.141 8.031 ( 0.644 0.048 0.248) 0.691 8.534 ( -6.208 0.101 -0.846) 6.266 9.838 ( 1.685 1.538 0.951) 2.472 10.018 ( -1.586 2.773 -1.913) 3.723 11.627 ( -2.768 -0.270 -0.266) 2.794 11.928 ( 1.752 0.744 0.636) 2.007 12.661 ( -1.641 -0.308 0.915) 1.903 13.138 ( -2.419 1.124 -1.212) 2.930 14.997 ( 5.197 -0.980 1.909) 5.623 15.159 ( 0.165 -0.020 0.284) 0.329 16.040 ( 10.508 -2.510 0.006) 10.803 16.691 ( -13.880 0.607 -0.143) 13.894 19.083 ( 5.209 -0.024 -0.433) 5.227 19.239 ( -1.866 0.612 -0.216) 1.975 19.689 ( 1.276 -0.606 -0.639) 1.550 19.724 ( 0.423 -0.855 -0.479) 1.067 20.888 ( 3.139 -0.784 -0.014) 3.236 21.213 ( -11.882 -1.222 0.273) 11.948 22.471 ( 9.917 1.323 -0.075) 10.005 22.755 ( -4.445 1.636 0.257) 4.743 ======================= Grid point 38 (24/144) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.000 -0.655 1.818) 1.932 1.585 ( 0.000 -1.739 -2.944) 3.420 1.731 ( -0.000 0.676 3.091) 3.164 1.784 ( 0.000 -1.990 -1.535) 2.513 1.896 ( 0.000 -1.053 -2.255) 2.489 2.122 ( 0.000 0.188 1.886) 1.895 2.551 ( 0.000 5.734 7.447) 9.399 2.775 ( 0.000 3.767 2.043) 4.286 2.970 ( 0.000 -2.669 1.809) 3.225 2.981 ( -0.000 -5.829 -5.916) 8.305 3.586 ( 0.000 -3.052 -4.781) 5.672 4.595 ( 0.000 1.697 2.816) 3.288 4.805 ( 0.000 12.054 11.485) 16.649 5.013 ( 0.000 9.055 8.190) 12.209 5.133 ( 0.000 4.861 -1.189) 5.004 5.303 ( 0.000 -5.947 -9.865) 11.519 5.632 ( 0.000 -0.674 -3.449) 3.514 5.983 ( 0.000 -16.064 -7.611) 17.775 6.473 ( 0.000 -6.255 -1.640) 6.467 7.069 ( 0.000 4.603 0.736) 4.662 7.688 ( 0.000 0.786 2.088) 2.231 7.904 ( 0.000 -2.683 -2.083) 3.397 8.003 ( 0.000 0.271 0.879) 0.920 8.457 ( 0.000 0.239 -0.989) 1.018 9.856 ( 0.000 2.760 -0.040) 2.760 10.000 ( 0.000 1.939 -0.905) 2.139 11.599 ( 0.000 -0.636 -0.722) 0.963 11.946 ( 0.000 0.619 0.731) 0.958 12.644 ( 0.000 -0.617 0.347) 0.708 13.112 ( 0.000 1.782 -0.298) 1.807 15.072 ( 0.000 -0.859 0.253) 0.896 15.139 ( 0.000 -0.277 2.663) 2.677 16.213 ( 0.000 -1.754 -1.662) 2.416 16.485 ( 0.000 -0.069 0.853) 0.856 19.157 ( -0.000 0.149 -0.304) 0.338 19.201 ( 0.000 0.594 -0.319) 0.674 19.705 ( 0.000 -0.919 -0.434) 1.016 19.727 ( 0.000 -0.508 -0.744) 0.901 20.962 ( -0.000 -1.153 0.482) 1.250 21.049 ( 0.000 -0.991 -0.213) 1.014 22.628 ( -0.000 1.404 0.170) 1.414 22.653 ( 0.000 1.583 0.091) 1.585 ======================= Grid point 84 (25/144) ======================= q-point: ( 0.00 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 0.000 15.978) 15.978 0.743 ( 0.000 0.000 17.834) 17.834 1.196 ( 0.000 0.000 17.347) 17.347 1.459 ( 0.000 0.000 34.965) 34.965 1.617 ( 0.000 0.000 4.473) 4.473 2.405 ( 0.000 -0.000 -10.219) 10.219 2.415 ( 0.000 0.000 4.563) 4.563 2.434 ( 0.000 0.000 0.257) 0.257 2.636 ( 0.000 -0.000 -5.007) 5.007 3.335 ( 0.000 0.000 6.742) 6.742 3.544 ( 0.000 -0.000 -0.111) 0.111 3.768 ( 0.000 0.000 0.417) 0.417 4.524 ( 0.000 -0.000 -7.783) 7.783 4.969 ( 0.000 -0.000 -13.959) 13.959 5.482 ( 0.000 0.000 8.627) 8.627 5.614 ( 0.000 -0.000 -8.509) 8.509 5.825 ( 0.000 -0.000 -6.180) 6.180 6.903 ( 0.000 0.000 6.014) 6.014 6.937 ( 0.000 -0.000 -7.407) 7.407 7.221 ( 0.000 0.000 4.858) 4.858 7.463 ( 0.000 -0.000 -1.553) 1.553 7.675 ( 0.000 0.000 1.084) 1.084 7.925 ( 0.000 -0.000 -3.533) 3.533 8.824 ( 0.000 -0.000 -9.179) 9.179 9.492 ( 0.000 0.000 5.649) 5.649 9.801 ( 0.000 0.000 2.488) 2.488 11.622 ( 0.000 0.000 2.163) 2.163 11.649 ( 0.000 -0.000 -0.323) 0.323 12.602 ( 0.000 -0.000 -1.976) 1.976 13.730 ( 0.000 -0.000 -6.954) 6.954 14.721 ( 0.000 0.000 5.897) 5.897 15.139 ( 0.000 -0.000 -0.812) 0.812 16.278 ( 0.000 -0.000 -0.947) 0.947 16.603 ( 0.000 0.000 4.570) 4.570 19.058 ( 0.000 -0.000 -1.178) 1.178 19.275 ( 0.000 -0.000 -2.340) 2.340 19.793 ( 0.000 -0.000 -2.681) 2.681 19.939 ( 0.000 -0.000 -1.479) 1.479 21.057 ( 0.000 -0.000 -2.911) 2.911 21.664 ( 0.000 0.000 2.984) 2.984 21.961 ( 0.000 0.000 0.029) 0.029 22.516 ( 0.000 0.000 2.391) 2.391 ======================= Grid point 85 (26/144) ======================= q-point: ( 0.17 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 10.335 0.000 13.352) 16.885 0.925 ( 10.236 0.000 16.450) 19.375 1.317 ( 5.070 0.000 18.565) 19.245 1.509 ( 13.555 0.000 23.734) 27.333 1.655 ( 3.095 0.000 3.577) 4.729 2.365 ( -3.909 -0.000 -5.880) 7.061 2.368 ( 0.854 -0.000 -0.849) 1.204 2.623 ( -0.365 -0.000 -6.929) 6.939 2.783 ( 20.713 -0.000 -6.260) 21.639 3.376 ( -1.999 0.000 3.355) 3.905 3.462 ( -2.224 0.000 3.059) 3.782 3.714 ( -4.839 0.000 2.549) 5.469 4.577 ( 3.937 -0.000 -6.669) 7.744 4.855 ( -8.493 -0.000 -12.686) 15.267 5.433 ( -2.832 0.000 3.785) 4.727 5.632 ( 0.381 -0.000 -9.986) 9.993 5.926 ( 8.858 -0.000 -3.726) 9.610 6.757 ( -7.126 0.000 4.179) 8.261 7.159 ( 7.068 -0.000 -6.130) 9.356 7.191 ( -2.223 0.000 3.658) 4.280 7.526 ( 5.495 -0.000 -0.337) 5.505 7.780 ( 6.763 -0.000 -9.857) 11.954 8.038 ( 14.571 -0.000 -5.799) 15.682 8.804 ( -2.030 -0.000 -10.080) 10.283 9.502 ( 1.301 0.000 5.058) 5.223 9.775 ( -2.527 0.000 2.525) 3.572 11.661 ( 3.651 0.000 1.906) 4.119 11.669 ( 2.047 -0.000 -0.224) 2.059 12.600 ( 0.061 -0.000 -1.330) 1.331 13.432 ( -24.092 0.000 2.864) 24.261 14.741 ( 2.190 0.000 6.098) 6.479 15.144 ( -1.261 0.000 2.097) 2.447 16.296 ( 1.792 -0.000 -0.530) 1.869 16.548 ( -4.278 0.000 5.540) 6.999 19.158 ( 7.358 -0.000 -6.103) 9.560 19.278 ( 0.347 -0.000 -2.663) 2.686 19.804 ( 1.129 -0.000 -2.505) 2.748 19.932 ( -0.742 -0.000 -1.529) 1.700 21.034 ( -0.966 -0.000 -1.257) 1.585 21.554 ( -8.924 0.000 1.508) 9.050 22.061 ( 7.809 0.000 1.309) 7.918 22.503 ( -1.562 0.000 2.338) 2.812 ======================= Grid point 86 (27/144) ======================= q-point: ( 0.33 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 9.446 0.000 11.387) 14.795 1.101 ( 5.557 0.000 12.499) 13.678 1.318 ( 1.977 0.000 18.951) 19.054 1.664 ( -4.263 0.000 4.504) 6.202 1.947 ( 24.383 0.000 9.432) 26.144 2.315 ( 0.435 -0.000 -3.193) 3.223 2.398 ( 1.534 -0.000 -3.400) 3.730 2.602 ( -3.813 -0.000 -6.063) 7.163 3.059 ( 6.899 -0.000 -3.893) 7.922 3.201 ( -9.067 0.000 2.745) 9.474 3.534 ( 3.971 0.000 4.544) 6.035 3.620 ( -3.734 0.000 4.292) 5.689 4.625 ( 0.781 -0.000 -4.713) 4.777 4.712 ( -5.704 -0.000 -11.837) 13.140 5.435 ( 3.329 -0.000 -4.759) 5.808 5.609 ( -2.654 -0.000 -11.047) 11.362 6.129 ( 11.490 -0.000 -1.600) 11.601 6.588 ( -10.435 0.000 2.236) 10.672 7.160 ( -0.718 0.000 3.140) 3.221 7.192 ( -1.138 0.000 0.619) 1.295 7.647 ( 6.469 0.000 0.062) 6.469 7.824 ( -1.112 -0.000 -5.541) 5.652 8.392 ( 16.374 -0.000 -18.675) 24.836 8.743 ( -4.369 -0.000 -12.744) 13.472 9.550 ( 3.523 0.000 3.543) 4.997 9.711 ( -3.872 0.000 2.534) 4.628 11.722 ( 2.981 -0.000 -0.175) 2.986 11.736 ( 3.236 0.000 1.130) 3.428 12.620 ( 2.577 0.000 0.802) 2.699 12.996 ( -18.544 0.000 7.509) 20.006 14.811 ( 4.982 0.000 6.729) 8.373 15.067 ( -6.160 0.000 6.231) 8.762 16.343 ( 2.861 0.000 0.563) 2.916 16.470 ( -3.655 0.000 4.130) 5.516 19.264 ( 3.133 -0.000 -7.263) 7.910 19.287 ( 0.483 -0.000 -3.640) 3.672 19.836 ( 2.023 -0.000 -2.277) 3.046 19.910 ( -1.446 -0.000 -1.698) 2.230 21.063 ( 4.267 -0.000 -0.916) 4.364 21.367 ( -9.727 0.000 0.025) 9.727 22.216 ( 7.694 0.000 2.270) 8.022 22.449 ( -3.923 0.000 2.551) 4.679 ======================= Grid point 87 (28/144) ======================= q-point: (-0.50 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -6.394 0.000 11.268) 12.955 1.060 ( 6.394 0.000 11.268) 12.955 1.490 ( -11.290 0.000 10.956) 15.733 1.490 ( 11.290 0.000 10.956) 15.733 2.319 ( -7.110 -0.000 -4.518) 8.424 2.319 ( 7.110 -0.000 -4.518) 8.424 2.440 ( -6.047 0.000 0.658) 6.083 2.440 ( 6.047 0.000 0.658) 6.083 3.109 ( -0.258 0.000 2.008) 2.025 3.109 ( 0.258 0.000 2.008) 2.025 3.579 ( -0.120 0.000 4.275) 4.276 3.579 ( 0.120 0.000 4.275) 4.276 4.640 ( -0.388 0.000 -7.810) 7.820 4.640 ( 0.388 0.000 -7.810) 7.820 5.530 ( -3.150 -0.000 -10.099) 10.579 5.530 ( 3.150 -0.000 -10.099) 10.579 6.362 ( -5.679 0.000 0.081) 5.679 6.362 ( 5.679 0.000 0.081) 5.679 7.165 ( -0.119 0.000 3.029) 3.032 7.165 ( 0.119 0.000 3.029) 3.032 7.762 ( -1.533 0.000 -1.541) 2.173 7.762 ( 1.533 0.000 -1.541) 2.173 8.625 ( -1.908 0.000 -16.741) 16.850 8.625 ( 1.908 0.000 -16.741) 16.850 9.629 ( -0.839 0.000 2.601) 2.733 9.629 ( 0.839 0.000 2.601) 2.733 11.763 ( -0.080 0.000 0.182) 0.198 11.763 ( 0.080 0.000 0.182) 0.198 12.728 ( -5.180 0.000 4.460) 6.835 12.728 ( 5.180 0.000 4.460) 6.835 14.931 ( -4.989 0.000 7.299) 8.841 14.931 ( 4.989 0.000 7.299) 8.841 16.403 ( -2.804 0.000 2.128) 3.520 16.403 ( 2.804 0.000 2.128) 3.520 19.292 ( -0.150 -0.000 -5.300) 5.302 19.292 ( 0.150 -0.000 -5.300) 5.302 19.876 ( -1.958 -0.000 -1.987) 2.790 19.876 ( 1.958 -0.000 -1.987) 2.790 21.189 ( -6.630 0.000 -0.877) 6.688 21.189 ( 6.630 0.000 -0.877) 6.688 22.351 ( -6.074 0.000 2.626) 6.617 22.351 ( 6.074 0.000 2.626) 6.617 ======================= Grid point 91 (29/144) ======================= q-point: ( 0.00 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.000 10.140 13.297) 16.722 1.000 ( 0.000 1.662 10.282) 10.415 1.511 ( 0.000 1.768 16.200) 16.296 1.715 ( 0.000 -0.773 8.829) 8.863 1.933 ( 0.000 1.351 16.013) 16.070 2.231 ( 0.000 1.232 -8.596) 8.684 2.430 ( 0.000 -3.131 1.191) 3.350 2.546 ( 0.000 1.947 8.785) 8.998 2.582 ( 0.000 3.737 -3.708) 5.265 3.491 ( 0.000 4.334 8.433) 9.482 3.524 ( 0.000 -2.864 -1.283) 3.138 3.873 ( 0.000 4.368 11.332) 12.145 4.351 ( 0.000 -4.339 -8.956) 9.952 4.727 ( 0.000 0.959 -13.577) 13.611 5.416 ( 0.000 -3.868 -6.909) 7.918 5.689 ( 0.000 1.840 -10.257) 10.420 5.701 ( 0.000 8.039 6.390) 10.270 6.748 ( 0.000 -7.627 -8.767) 11.620 6.983 ( 0.000 -2.420 4.352) 4.979 7.325 ( 0.000 2.090 4.360) 4.835 7.375 ( 0.000 -9.398 -4.032) 10.227 7.684 ( 0.000 -1.556 1.816) 2.391 7.852 ( 0.000 1.114 -5.005) 5.127 8.692 ( 0.000 5.065 -8.480) 9.878 9.613 ( 0.000 0.185 7.737) 7.739 9.870 ( 0.000 7.408 -0.259) 7.413 11.652 ( 0.000 0.988 0.190) 1.007 11.675 ( 0.000 1.038 3.308) 3.467 12.586 ( 0.000 0.205 0.475) 0.518 13.577 ( 0.000 -1.771 -9.076) 9.247 14.818 ( 0.000 -1.781 6.008) 6.266 15.122 ( 0.000 0.951 -1.826) 2.059 16.158 ( 0.000 -14.968 1.241) 15.020 16.764 ( 0.000 11.472 2.185) 11.678 19.030 ( 0.000 -0.721 -1.657) 1.807 19.243 ( 0.000 0.616 -1.437) 1.564 19.740 ( 0.000 0.274 -3.506) 3.516 19.886 ( 0.000 -3.733 -1.898) 4.188 20.985 ( 0.000 -2.691 -3.049) 4.067 21.694 ( 0.000 -3.594 2.535) 4.398 22.000 ( 0.000 5.400 0.035) 5.400 22.588 ( 0.000 3.925 3.350) 5.161 ======================= Grid point 92 (30/144) ======================= q-point: ( 0.17 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 7.164 5.360 12.780) 15.600 1.150 ( 10.801 1.208 8.975) 14.095 1.621 ( 7.677 1.693 14.856) 16.808 1.740 ( 2.488 -0.681 7.728) 8.147 1.889 ( -0.722 1.579 13.539) 13.650 2.233 ( -0.207 0.157 -7.313) 7.317 2.365 ( -2.652 -2.302 1.558) 3.842 2.534 ( -2.148 1.157 -2.768) 3.690 2.771 ( 14.712 1.575 1.892) 14.916 3.427 ( -7.852 -0.825 1.255) 7.994 3.560 ( 5.108 4.057 6.806) 9.427 3.846 ( -2.502 4.012 12.181) 13.066 4.414 ( 5.041 -4.950 -8.796) 11.282 4.644 ( -6.489 2.819 -12.290) 14.181 5.390 ( -3.193 -5.789 -5.048) 8.318 5.545 ( -5.935 9.278 -6.872) 12.982 5.882 ( 10.053 0.239 -0.531) 10.070 6.771 ( -2.313 -1.533 -2.691) 3.866 7.000 ( 3.753 -10.397 -2.776) 11.396 7.264 ( -2.144 -0.558 -0.399) 2.252 7.459 ( 4.051 -7.199 -0.096) 8.261 7.692 ( 2.851 3.199 -2.695) 5.062 7.956 ( 8.743 -1.763 -3.122) 9.449 8.662 ( -3.023 5.336 -9.096) 10.971 9.611 ( -0.034 0.053 7.200) 7.200 9.848 ( -2.086 7.699 -0.017) 7.977 11.661 ( 1.426 -0.921 0.501) 1.770 11.716 ( 3.364 2.527 2.319) 4.804 12.594 ( 0.972 0.040 0.882) 1.313 13.400 ( -15.719 -0.547 -4.684) 16.411 14.842 ( 2.531 -1.710 6.193) 6.906 15.154 ( 1.765 0.656 -0.969) 2.117 16.194 ( 3.645 -13.099 0.769) 13.618 16.704 ( -5.692 9.944 2.467) 11.721 19.079 ( 4.263 -0.698 -3.112) 5.324 19.241 ( -0.204 0.603 -1.721) 1.835 19.753 ( 1.283 0.180 -3.386) 3.625 19.881 ( -0.537 -3.142 -2.049) 3.789 20.982 ( 0.266 -2.735 -2.278) 3.570 21.562 ( -10.422 -2.916 1.141) 10.882 22.116 ( 8.786 4.364 1.449) 9.917 22.574 ( -1.578 3.851 3.289) 5.305 ======================= Grid point 93 (31/144) ======================= q-point: ( 0.33 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 8.580 3.080 12.114) 15.161 1.317 ( 4.352 0.815 10.464) 11.362 1.649 ( -0.618 2.818 15.513) 15.779 1.775 ( -0.448 1.191 6.724) 6.843 2.041 ( 11.644 -3.001 1.184) 12.082 2.217 ( -1.023 -1.850 -5.299) 5.706 2.344 ( 0.807 -3.332 -0.426) 3.455 2.512 ( -0.508 1.685 -3.619) 4.024 3.025 ( 9.815 -0.528 -0.273) 9.833 3.262 ( -7.732 1.294 2.961) 8.380 3.651 ( 3.092 2.266 8.161) 9.016 3.794 ( -1.995 5.455 12.219) 13.529 4.471 ( -0.013 -4.567 -8.941) 10.040 4.562 ( -1.287 4.343 -7.762) 8.988 5.323 ( -2.037 -3.774 -6.202) 7.540 5.456 ( -3.858 7.529 -10.450) 13.445 6.080 ( 10.046 -5.480 -0.980) 11.485 6.631 ( -9.817 4.870 0.611) 10.975 7.083 ( 2.960 -13.413 -2.343) 13.934 7.249 ( -0.046 -0.619 -0.933) 1.121 7.525 ( 3.089 -11.314 -3.303) 12.184 7.776 ( 3.982 8.052 -3.346) 9.586 8.149 ( 10.170 -5.040 -6.042) 12.858 8.578 ( -5.349 6.799 -10.872) 13.894 9.619 ( 0.810 -0.815 5.633) 5.749 9.800 ( -2.549 8.713 0.671) 9.103 11.703 ( 2.396 -2.576 -0.008) 3.518 11.779 ( 2.526 3.301 1.260) 4.344 12.638 ( 3.920 -0.897 1.860) 4.431 13.072 ( -15.986 2.118 0.649) 16.139 14.919 ( 5.269 -1.659 6.482) 8.517 15.143 ( -3.192 -0.023 2.468) 4.035 16.292 ( 6.136 -7.739 0.133) 9.877 16.570 ( -7.525 5.569 1.882) 9.549 19.162 ( 3.608 -0.452 -4.220) 5.570 19.233 ( -0.619 0.473 -2.505) 2.624 19.787 ( 2.148 -0.114 -3.141) 3.807 19.863 ( -1.300 -1.828 -2.411) 3.294 21.022 ( 4.227 -3.324 -1.419) 5.562 21.349 ( -10.814 -3.018 -0.206) 11.229 22.285 ( 8.171 4.003 2.616) 9.468 22.522 ( -3.780 3.794 3.267) 6.273 ======================= Grid point 94 (32/144) ======================= q-point: (-0.50 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -0.000 1.004 11.727) 11.769 1.292 ( 0.000 3.471 11.908) 12.403 1.705 ( 0.000 1.554 11.700) 11.803 1.715 ( -0.000 2.889 10.532) 10.921 2.165 ( -0.000 -5.780 -6.913) 9.011 2.208 ( 0.000 -1.854 -7.115) 7.352 2.383 ( 0.000 -6.368 -1.601) 6.566 2.493 ( 0.000 4.135 0.704) 4.195 3.136 ( -0.000 -0.403 -0.395) 0.564 3.163 ( 0.000 2.429 3.902) 4.596 3.673 ( 0.000 -2.099 10.674) 10.878 3.782 ( 0.000 8.706 9.707) 13.039 4.474 ( -0.000 -2.654 -6.325) 6.860 4.541 ( 0.000 3.264 -6.551) 7.319 5.320 ( 0.000 -2.594 -9.969) 10.301 5.403 ( -0.000 6.352 -10.084) 11.918 6.216 ( 0.000 -14.443 -1.617) 14.534 6.492 ( 0.000 13.398 0.565) 13.410 7.111 ( 0.000 -11.833 -0.267) 11.836 7.248 ( 0.000 -2.117 0.258) 2.133 7.561 ( 0.000 -12.617 -5.650) 13.824 7.815 ( 0.000 8.803 -1.371) 8.909 8.280 ( 0.000 -9.288 -7.553) 11.971 8.498 ( 0.000 10.939 -12.858) 16.881 9.632 ( 0.000 -2.170 4.415) 4.919 9.769 ( 0.000 10.049 1.286) 10.131 11.731 ( 0.000 -3.450 -0.368) 3.469 11.804 ( 0.000 3.702 0.719) 3.772 12.724 ( 0.000 -5.871 2.452) 6.362 12.861 ( 0.000 7.864 2.269) 8.185 15.019 ( 0.000 -3.081 6.540) 7.229 15.061 ( 0.000 1.055 4.542) 4.662 16.419 ( 0.000 -1.403 -0.397) 1.458 16.429 ( -0.000 -0.235 1.586) 1.603 19.210 ( -0.000 -0.269 -3.624) 3.634 19.215 ( 0.000 0.377 -3.497) 3.518 19.828 ( -0.000 -0.957 -2.753) 2.915 19.832 ( 0.000 -0.475 -2.869) 2.908 21.127 ( -0.000 -5.832 -0.677) 5.871 21.178 ( 0.000 -1.016 -1.329) 1.673 22.423 ( -0.000 3.554 3.141) 4.743 22.428 ( 0.000 4.151 3.160) 5.217 ======================= Grid point 98 (33/144) ======================= q-point: ( 0.00 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.000 1.615 3.003) 3.410 1.206 ( 0.000 9.672 11.019) 14.662 1.735 ( 0.000 -4.781 9.884) 10.980 1.874 ( 0.000 0.399 8.446) 8.455 2.089 ( 0.000 0.542 4.014) 4.051 2.178 ( 0.000 9.242 -2.030) 9.462 2.381 ( 0.000 -4.711 -3.826) 6.069 2.582 ( 0.000 4.224 -0.105) 4.225 2.743 ( 0.000 0.645 11.542) 11.560 3.429 ( 0.000 -7.841 -3.903) 8.759 3.667 ( 0.000 3.364 4.724) 5.800 4.187 ( 0.000 -1.236 -3.511) 3.722 4.248 ( 0.000 6.809 22.484) 23.492 4.555 ( 0.000 6.361 -8.214) 10.389 5.252 ( 0.000 1.970 -11.166) 11.338 5.525 ( 0.000 4.222 -11.333) 12.094 5.877 ( 0.000 0.421 7.822) 7.833 6.528 ( 0.000 -6.909 -6.801) 9.695 6.956 ( 0.000 -12.818 -3.104) 13.188 7.189 ( 0.000 -7.871 -3.091) 8.456 7.372 ( 0.000 -3.259 0.839) 3.365 7.717 ( 0.000 1.168 1.804) 2.149 7.800 ( 0.000 5.278 -3.782) 6.493 8.628 ( 0.000 7.227 -6.165) 9.500 9.743 ( 0.000 -1.635 7.277) 7.459 9.927 ( 0.000 6.809 -0.531) 6.830 11.676 ( 0.000 1.931 0.980) 2.166 11.751 ( 0.000 1.318 3.898) 4.115 12.627 ( 0.000 0.487 3.729) 3.761 13.394 ( 0.000 -1.315 -9.966) 10.052 14.888 ( 0.000 -2.956 4.529) 5.408 15.093 ( 0.000 1.697 -2.899) 3.359 16.044 ( 0.000 -9.700 -0.999) 9.751 16.888 ( 0.000 6.012 2.558) 6.534 18.991 ( 0.000 -1.169 -1.605) 1.985 19.240 ( 0.000 1.050 0.125) 1.057 19.683 ( 0.000 0.794 -3.561) 3.648 19.812 ( 0.000 -3.713 -2.251) 4.342 20.913 ( 0.000 -1.771 -2.645) 3.183 21.686 ( 0.000 -4.622 1.344) 4.814 22.054 ( 0.000 4.090 0.851) 4.178 22.692 ( 0.000 4.611 3.533) 5.809 ======================= Grid point 99 (34/144) ======================= q-point: ( 0.17 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 6.208 1.102 6.179) 8.828 1.300 ( 8.148 6.500 6.830) 12.461 1.782 ( 3.236 -5.602 5.002) 8.177 1.884 ( 1.353 -1.371 8.142) 8.367 2.031 ( -4.627 2.231 3.203) 6.053 2.181 ( -0.585 6.921 -1.351) 7.076 2.354 ( -1.473 -4.157 0.336) 4.423 2.544 ( -2.584 4.163 0.581) 4.934 2.851 ( 8.912 -1.022 6.659) 11.172 3.380 ( -4.379 -6.389 -2.772) 8.227 3.742 ( 6.013 4.997 6.216) 9.988 4.176 ( -3.522 0.351 8.624) 9.322 4.266 ( 3.913 3.500 7.470) 9.131 4.517 ( -2.456 9.115 -7.220) 11.885 5.236 ( -2.001 0.267 -9.081) 9.303 5.472 ( -4.713 6.949 -10.179) 13.195 5.916 ( 3.529 -4.036 5.016) 7.342 6.623 ( 8.274 -7.112 -7.081) 13.007 6.888 ( -6.902 -9.637 -2.792) 12.178 7.103 ( -4.050 -11.336 -5.001) 13.036 7.489 ( 5.827 1.361 2.867) 6.635 7.677 ( 1.378 0.977 -1.942) 2.574 7.910 ( 7.241 2.389 -2.096) 7.908 8.591 ( -3.670 7.003 -6.283) 10.099 9.737 ( -0.599 -1.002 7.120) 7.215 9.913 ( -1.305 6.748 -0.171) 6.875 11.669 ( -0.180 -0.197 1.039) 1.072 11.787 ( 2.839 2.690 2.649) 4.724 12.635 ( 0.867 0.057 3.578) 3.682 13.289 ( -9.647 0.103 -7.251) 12.069 14.916 ( 2.951 -2.781 4.775) 6.265 15.130 ( 2.799 1.325 -2.645) 4.073 16.085 ( 4.270 -9.069 -1.264) 10.104 16.815 ( -7.092 5.306 2.201) 9.126 19.028 ( 3.479 -0.935 -1.864) 4.056 19.234 ( -0.622 1.036 -0.031) 1.209 19.696 ( 1.322 0.651 -3.480) 3.779 19.810 ( -0.240 -3.169 -2.374) 3.967 20.918 ( 0.888 -2.124 -2.136) 3.140 21.542 ( -11.502 -4.029 0.588) 12.201 22.181 ( 9.724 3.483 1.592) 10.451 22.676 ( -1.753 4.523 3.448) 5.951 ======================= Grid point 100 (35/144) ======================= q-point: ( 0.33 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 8.159 0.924 7.890) 11.387 1.461 ( 6.701 3.059 4.957) 8.879 1.810 ( -0.385 -2.235 -0.328) 2.292 1.880 ( -2.408 -0.719 3.984) 4.710 2.004 ( 2.870 -1.798 1.479) 3.696 2.143 ( -3.133 -0.646 -0.699) 3.275 2.332 ( -1.019 -2.594 3.164) 4.216 2.529 ( 1.230 5.755 0.708) 5.927 3.022 ( 7.508 -4.239 2.648) 9.019 3.286 ( -4.598 -3.517 -0.262) 5.795 3.820 ( 0.756 0.984 6.287) 6.408 4.093 ( -3.074 6.766 10.951) 13.235 4.364 ( 5.157 4.702 3.165) 7.663 4.509 ( 1.292 8.279 -4.602) 9.560 5.183 ( -2.552 -1.139 -6.251) 6.847 5.366 ( -5.565 9.419 -10.156) 14.927 5.995 ( 4.071 -11.877 1.007) 12.596 6.699 ( -6.021 5.029 0.036) 7.845 6.824 ( 6.411 -17.459 -9.334) 20.809 7.044 ( -2.905 -13.610 -7.421) 15.772 7.534 ( 0.867 3.248 4.165) 5.352 7.796 ( 7.478 4.856 -2.647) 9.301 8.042 ( 6.046 -2.147 -2.996) 7.081 8.493 ( -5.955 6.788 -6.749) 11.273 9.724 ( -0.592 0.309 6.339) 6.374 9.886 ( -1.224 6.501 0.928) 6.680 11.676 ( 0.696 -2.691 -0.038) 2.780 11.837 ( 1.958 3.653 1.329) 4.352 12.667 ( 2.467 -1.671 2.747) 4.053 13.080 ( -10.278 3.617 -2.356) 11.148 14.999 ( 5.223 -2.320 4.790) 7.457 15.158 ( -0.639 0.083 -0.328) 0.723 16.209 ( 8.300 -6.369 -1.881) 10.630 16.634 ( -10.784 3.081 1.018) 11.261 19.106 ( 4.013 -0.322 -1.889) 4.447 19.215 ( -1.441 0.926 -0.502) 1.785 19.731 ( 2.111 0.199 -3.292) 3.915 19.799 ( -0.948 -1.866 -2.696) 3.413 20.965 ( 4.260 -3.247 -1.256) 5.502 21.309 ( -11.667 -4.022 -0.341) 12.346 22.368 ( 8.926 3.710 2.406) 9.961 22.621 ( -3.958 4.335 3.257) 6.713 ======================= Grid point 101 (36/144) ======================= q-point: (-0.50 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.000 -0.195 7.404) 7.407 1.509 ( 0.000 4.090 7.862) 8.862 1.802 ( 0.000 -1.692 -2.651) 3.145 1.855 ( 0.000 2.803 0.770) 2.907 2.066 ( -0.000 -6.165 -3.815) 7.250 2.077 ( 0.000 -3.405 4.395) 5.560 2.323 ( 0.000 -2.246 2.006) 3.011 2.551 ( 0.000 5.999 0.735) 6.044 3.108 ( -0.000 -5.440 1.175) 5.565 3.228 ( 0.000 -1.911 1.179) 2.245 3.809 ( 0.000 -4.856 5.013) 6.979 4.070 ( 0.000 12.478 11.829) 17.194 4.434 ( 0.000 7.757 1.459) 7.893 4.518 ( 0.000 5.323 -0.282) 5.330 5.162 ( 0.000 -0.295 -6.193) 6.200 5.298 ( 0.000 8.965 -10.880) 14.098 6.043 ( 0.000 -16.681 -0.678) 16.695 6.618 ( 0.000 7.339 -0.393) 7.349 6.928 ( 0.000 -14.683 -5.228) 15.586 6.988 ( 0.000 -16.122 -11.171) 19.614 7.545 ( 0.000 3.232 4.154) 5.264 7.878 ( -0.000 8.791 -1.543) 8.926 8.118 ( 0.000 -6.235 -4.186) 7.510 8.413 ( 0.000 7.609 -7.220) 10.489 9.718 ( 0.000 0.992 5.643) 5.729 9.873 ( 0.000 6.310 1.731) 6.543 11.685 ( 0.000 -3.754 -0.832) 3.845 11.856 ( 0.000 3.933 0.933) 4.042 12.706 ( 0.000 -4.603 1.397) 4.810 12.959 ( 0.000 7.396 0.644) 7.424 15.096 ( 0.000 -1.635 4.837) 5.106 15.108 ( 0.000 -1.198 1.240) 1.724 16.363 ( 0.000 -3.638 -2.826) 4.607 16.454 ( -0.000 0.872 0.847) 1.216 19.166 ( -0.000 -0.045 -1.304) 1.305 19.182 ( 0.000 0.931 -1.179) 1.503 19.769 ( -0.000 -0.923 -2.896) 3.040 19.774 ( 0.000 -0.296 -3.176) 3.190 21.065 ( -0.000 -5.414 -0.159) 5.417 21.134 ( 0.000 -2.566 -1.507) 2.975 22.514 ( -0.000 3.719 2.943) 4.743 22.525 ( 0.000 4.420 2.957) 5.318 ======================= Grid point 105 (37/144) ======================= q-point: ( 0.00 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 0.000 1.209 0.098) 1.213 1.469 ( 0.000 7.742 9.514) 12.266 1.769 ( 0.000 -5.173 1.363) 5.350 1.935 ( 0.000 -3.640 -0.814) 3.730 2.179 ( 0.000 4.839 1.684) 5.123 2.245 ( 0.000 -5.829 -1.469) 6.012 2.316 ( 0.000 9.469 4.924) 10.673 2.652 ( 0.000 4.523 2.597) 5.216 2.922 ( 0.000 -2.193 9.025) 9.287 3.248 ( 0.000 -10.807 -5.447) 12.102 3.639 ( 0.000 -5.320 -4.471) 6.949 4.308 ( 0.000 12.044 9.612) 15.410 4.409 ( 0.000 -1.076 -1.282) 1.674 4.858 ( 0.000 17.269 21.248) 27.380 5.060 ( 0.000 1.121 -12.945) 12.994 5.406 ( 0.000 6.848 -7.901) 10.456 5.911 ( 0.000 -9.220 0.450) 9.231 6.457 ( 0.000 0.910 2.574) 2.730 6.618 ( 0.000 -22.896 -11.600) 25.667 7.151 ( 0.000 -1.053 0.525) 1.176 7.297 ( 0.000 -5.898 -3.063) 6.646 7.754 ( 0.000 2.225 0.268) 2.241 7.824 ( 0.000 6.642 -0.927) 6.706 8.607 ( 0.000 7.184 -4.459) 8.455 9.803 ( 0.000 -1.216 1.227) 1.728 10.014 ( 0.000 1.752 5.923) 6.177 11.717 ( 0.000 2.046 1.232) 2.388 11.824 ( 0.000 0.517 3.216) 3.257 12.711 ( 0.000 -0.151 4.927) 4.929 13.227 ( 0.000 0.068 -7.775) 7.775 14.910 ( 0.000 -2.430 0.651) 2.516 15.065 ( 0.000 1.722 -1.644) 2.381 15.928 ( 0.000 -4.477 -4.352) 6.243 16.976 ( 0.000 1.977 3.207) 3.768 18.958 ( 0.000 -0.865 -0.967) 1.297 19.261 ( 0.000 0.390 1.306) 1.363 19.639 ( 0.000 1.643 -2.642) 3.111 19.742 ( 0.000 -2.264 -2.309) 3.234 20.863 ( 0.000 -0.536 -1.778) 1.857 21.655 ( 0.000 -3.746 -0.260) 3.755 22.107 ( 0.000 1.849 1.922) 2.667 22.789 ( 0.000 2.937 3.146) 4.303 ======================= Grid point 106 (38/144) ======================= q-point: ( 0.17 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 6.415 0.130 0.170) 6.419 1.505 ( 3.482 6.937 7.598) 10.862 1.754 ( -1.047 -5.061 -0.409) 5.185 1.918 ( -2.015 -3.689 -1.692) 4.531 2.092 ( -6.275 3.031 1.481) 7.124 2.207 ( -2.246 -2.838 -0.343) 3.636 2.405 ( 4.692 4.885 6.000) 9.049 2.619 ( -1.986 5.902 2.084) 6.567 2.958 ( 3.314 -3.844 7.423) 8.992 3.222 ( -2.102 -9.861 -5.164) 11.328 3.743 ( 7.095 -5.406 -4.152) 9.839 4.284 ( -1.268 8.060 7.350) 10.981 4.429 ( 2.914 5.348 1.401) 6.250 4.803 ( -4.360 17.378 16.286) 24.212 5.092 ( 1.851 2.260 -7.399) 7.955 5.366 ( -3.606 5.968 -8.216) 10.776 5.910 ( -0.500 -10.002 1.464) 10.121 6.463 ( -0.402 -10.195 -3.542) 10.800 6.611 ( 0.044 -15.842 -8.869) 18.156 7.035 ( -5.639 1.411 0.564) 5.840 7.490 ( 12.899 -3.422 -1.788) 13.464 7.676 ( -3.282 2.717 0.067) 4.262 7.919 ( 5.471 4.711 -1.387) 7.352 8.570 ( -3.831 6.784 -4.199) 8.850 9.810 ( 0.654 -0.797 2.104) 2.343 9.999 ( -1.400 1.821 5.596) 6.049 11.690 ( -2.120 0.073 1.265) 2.470 11.852 ( 2.126 1.897 2.024) 3.495 12.704 ( -0.652 -0.869 4.091) 4.233 13.176 ( -4.614 1.476 -5.744) 7.514 14.944 ( 3.387 -2.460 0.965) 4.296 15.102 ( 3.137 1.673 -1.651) 3.920 15.970 ( 4.447 -4.531 -4.263) 7.647 16.891 ( -8.423 1.798 2.621) 9.002 18.997 ( 3.718 -0.664 -0.866) 3.874 19.254 ( -0.812 0.440 1.232) 1.540 19.652 ( 1.248 1.476 -2.630) 3.264 19.744 ( 0.079 -1.845 -2.333) 2.975 20.871 ( 1.107 -0.950 -1.488) 2.084 21.507 ( -11.994 -3.493 -0.327) 12.496 22.237 ( 10.233 1.672 1.964) 10.553 22.770 ( -1.962 2.885 3.065) 4.644 ======================= Grid point 107 (39/144) ======================= q-point: ( 0.33 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 9.166 -1.376 -0.168) 9.271 1.571 ( 2.142 4.543 1.957) 5.391 1.752 ( 0.672 -3.178 0.126) 3.250 1.858 ( -3.332 -1.572 -3.138) 4.840 1.989 ( -4.019 -3.679 -1.109) 5.561 2.161 ( -1.966 -1.939 2.208) 3.536 2.442 ( -0.262 4.209 7.334) 8.460 2.619 ( 1.322 8.438 1.136) 8.616 3.033 ( 3.962 -7.065 4.407) 9.221 3.178 ( -2.324 -8.913 -3.977) 10.033 3.777 ( -3.181 -8.820 -3.613) 10.048 4.340 ( 6.109 12.689 8.384) 16.390 4.528 ( 6.712 7.316 2.661) 10.279 4.718 ( -3.938 17.981 11.581) 21.747 5.106 ( -0.106 2.480 -2.113) 3.259 5.278 ( -5.251 7.359 -9.348) 13.004 5.888 ( -1.364 -14.970 2.014) 15.166 6.422 ( -2.921 -21.393 -12.396) 24.897 6.645 ( 2.893 -10.090 -5.052) 11.650 6.955 ( -3.200 6.431 1.587) 7.357 7.630 ( 1.022 3.672 2.168) 4.385 7.764 ( 11.665 -0.932 -3.060) 12.096 7.996 ( 1.998 2.359 -2.583) 4.028 8.467 ( -6.038 6.072 -3.681) 9.321 9.824 ( 0.586 -0.202 4.581) 4.623 9.970 ( -1.281 2.157 4.290) 4.970 11.653 ( -1.498 -2.297 0.248) 2.754 11.889 ( 1.521 3.085 0.739) 3.518 12.691 ( -0.573 -2.521 2.048) 3.299 13.080 ( -4.419 4.379 -1.676) 6.443 15.029 ( 4.795 -2.155 0.894) 5.333 15.151 ( 1.094 0.860 -0.566) 1.502 16.107 ( 9.486 -3.984 -3.745) 10.949 16.672 ( -13.100 1.268 1.025) 13.201 19.085 ( 4.801 -0.188 -0.430) 4.824 19.228 ( -1.933 0.558 0.936) 2.219 19.684 ( 1.908 0.968 -2.599) 3.366 19.741 ( -0.519 -0.810 -2.420) 2.605 20.919 ( 4.135 -2.119 -0.962) 4.745 21.263 ( -12.114 -3.428 -0.663) 12.608 22.436 ( 9.605 2.019 2.263) 10.073 22.710 ( -4.290 2.738 2.866) 5.840 ======================= Grid point 108 (40/144) ======================= q-point: (-0.50 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 -0.820 1.057) 1.338 1.581 ( -0.000 1.779 -3.499) 3.925 1.748 ( 0.000 -1.898 1.972) 2.737 1.821 ( 0.000 -0.082 -3.206) 3.207 1.953 ( 0.000 -6.282 -2.696) 6.836 2.141 ( 0.000 -1.972 3.639) 4.138 2.436 ( 0.000 5.040 7.489) 9.027 2.633 ( 0.000 9.233 -0.318) 9.239 3.086 ( 0.000 -7.959 3.620) 8.744 3.144 ( 0.000 -9.200 -3.707) 9.919 3.728 ( 0.000 -10.561 -2.625) 10.882 4.416 ( 0.000 15.655 10.030) 18.592 4.619 ( 0.000 6.414 4.896) 8.069 4.671 ( 0.000 18.813 7.716) 20.334 5.108 ( 0.000 1.156 -0.412) 1.227 5.204 ( 0.000 9.542 -10.087) 13.885 5.873 ( 0.000 -18.355 1.204) 18.395 6.388 ( 0.000 -21.035 -13.491) 24.989 6.683 ( 0.000 -13.189 -6.200) 14.573 6.916 ( 0.000 9.425 2.568) 9.768 7.644 ( 0.000 3.644 2.433) 4.382 7.924 ( 0.000 7.882 -2.659) 8.319 7.992 ( 0.000 -5.872 -3.554) 6.864 8.390 ( 0.000 6.037 -3.372) 6.915 9.830 ( 0.000 -0.089 6.353) 6.353 9.957 ( 0.000 2.488 3.138) 4.004 11.637 ( 0.000 -3.262 -0.469) 3.295 11.905 ( 0.000 3.459 0.316) 3.473 12.685 ( 0.000 -3.536 0.726) 3.610 13.032 ( 0.000 5.969 0.513) 5.991 15.095 ( 0.000 -1.477 -0.754) 1.658 15.146 ( 0.000 -0.299 1.706) 1.732 16.270 ( 0.000 -3.911 -2.978) 4.915 16.471 ( 0.000 1.481 -0.285) 1.508 19.157 ( 0.000 -0.164 0.199) 0.258 19.186 ( 0.000 0.879 0.424) 0.975 19.716 ( -0.000 -0.149 -2.520) 2.524 19.724 ( 0.000 0.585 -2.541) 2.608 21.016 ( -0.000 -3.951 -0.300) 3.962 21.084 ( 0.000 -2.251 -1.283) 2.591 22.591 ( -0.000 2.171 2.559) 3.356 22.609 ( 0.000 2.720 2.626) 3.780 ======================= Grid point 112 (41/144) ======================= q-point: ( 0.00 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.000 0.800 0.299) 0.854 1.648 ( 0.000 2.181 2.133) 3.050 1.716 ( 0.000 -2.377 -2.962) 3.798 1.830 ( 0.000 -0.732 -4.356) 4.417 2.142 ( 0.000 -2.658 0.046) 2.658 2.315 ( 0.000 0.277 4.096) 4.105 2.464 ( 0.000 3.334 3.867) 5.106 2.717 ( 0.000 2.373 -1.000) 2.576 2.988 ( 0.000 -5.998 2.842) 6.638 3.105 ( 0.000 -6.473 1.770) 6.710 3.536 ( 0.000 -2.634 -0.582) 2.698 4.381 ( 0.000 -0.500 -0.995) 1.113 4.623 ( 0.000 10.820 6.774) 12.765 4.849 ( 0.000 0.524 -7.176) 7.195 5.250 ( 0.000 5.656 2.188) 6.065 5.456 ( 0.000 10.907 7.527) 13.252 5.796 ( 0.000 -6.095 -2.439) 6.565 6.228 ( 0.000 -16.734 -6.431) 17.927 6.545 ( 0.000 -1.941 5.041) 5.402 7.139 ( 0.000 -0.627 -1.300) 1.443 7.205 ( 0.000 -1.784 -1.666) 2.441 7.762 ( 0.000 2.098 -1.829) 2.783 7.873 ( 0.000 4.255 0.123) 4.257 8.609 ( 0.000 6.888 -3.261) 7.621 9.787 ( 0.000 -0.602 -1.504) 1.620 10.146 ( 0.000 -4.004 10.098) 10.863 11.749 ( 0.000 0.882 0.522) 1.025 11.862 ( 0.000 -1.237 1.321) 1.810 12.749 ( 0.000 -2.490 -0.113) 2.493 13.174 ( 0.000 3.161 0.851) 3.273 14.861 ( 0.000 0.024 -4.430) 4.430 15.080 ( 0.000 0.827 1.608) 1.808 15.809 ( 0.000 0.814 -7.314) 7.359 17.038 ( 0.000 -0.964 3.425) 3.558 18.943 ( 0.000 -0.219 -0.106) 0.243 19.286 ( 0.000 -0.905 1.673) 1.902 19.628 ( 0.000 2.550 -0.849) 2.688 19.692 ( 0.000 -0.097 -2.074) 2.076 20.841 ( 0.000 0.465 -0.629) 0.782 21.607 ( 0.000 -1.888 -1.963) 2.724 22.156 ( 0.000 -0.378 2.909) 2.933 22.853 ( 0.000 0.095 2.444) 2.445 ======================= Grid point 113 (42/144) ======================= q-point: ( 0.17 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 5.296 0.408 -0.173) 5.315 1.636 ( -1.658 1.393 -1.360) 2.558 1.712 ( 0.995 -0.915 0.417) 1.415 1.817 ( -1.449 -0.530 -4.157) 4.433 2.104 ( -6.134 -0.904 -0.416) 6.214 2.210 ( -4.951 -2.165 3.192) 6.276 2.524 ( 3.386 1.319 1.885) 4.094 2.703 ( -0.390 3.873 0.384) 3.911 2.995 ( 0.323 -6.837 2.131) 7.169 3.088 ( -1.222 -5.575 1.496) 5.900 3.645 ( 6.828 -2.838 0.215) 7.398 4.362 ( 0.607 0.719 -0.693) 1.169 4.649 ( 2.583 10.073 5.540) 11.783 4.879 ( 2.561 3.876 -6.085) 7.656 5.219 ( -3.056 5.593 0.167) 6.376 5.403 ( -4.450 7.706 8.852) 12.552 5.818 ( 1.158 -5.378 -1.114) 5.613 6.171 ( -6.199 -16.212 -6.236) 18.443 6.498 ( -2.604 -5.304 1.757) 6.165 7.085 ( -0.878 3.437 1.214) 3.749 7.412 ( 14.264 -2.547 -2.238) 14.661 7.696 ( -3.502 2.057 -1.081) 4.202 7.941 ( 4.034 4.180 -1.256) 5.944 8.573 ( -3.712 6.414 -2.927) 7.968 9.811 ( 2.431 -0.825 -0.530) 2.621 10.126 ( -1.963 -3.835 9.745) 10.655 11.706 ( -3.430 -0.527 0.677) 3.536 11.887 ( 1.822 0.323 0.692) 1.976 12.726 ( -2.086 -2.538 -0.112) 3.287 13.154 ( -1.849 3.307 0.925) 3.900 14.899 ( 3.741 -0.218 -4.182) 5.616 15.114 ( 2.820 0.940 1.203) 3.207 15.855 ( 5.071 0.507 -6.572) 8.317 16.942 ( -9.461 -0.677 2.764) 9.879 18.986 ( 4.100 -0.176 0.063) 4.105 19.278 ( -0.835 -0.829 1.668) 2.041 19.638 ( 0.968 2.403 -1.063) 2.800 19.698 ( 0.509 0.208 -1.893) 1.972 20.849 ( 0.963 0.082 -0.588) 1.131 21.465 ( -11.891 -1.907 -1.482) 12.133 22.281 ( 10.207 -0.308 2.434) 10.498 22.833 ( -2.093 0.109 2.398) 3.184 ======================= Grid point 114 (43/144) ======================= q-point: ( 0.33 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 7.983 -0.086 -1.458) 8.115 1.594 ( -2.504 1.955 -1.917) 3.710 1.743 ( 0.361 -1.401 -2.799) 3.151 1.811 ( 2.435 1.349 0.550) 2.837 1.933 ( -8.780 -2.563 -0.287) 9.151 2.164 ( -1.300 -2.559 0.694) 2.952 2.566 ( 1.220 2.099 0.417) 2.464 2.712 ( 0.387 6.473 0.058) 6.484 2.998 ( 0.132 -8.002 1.368) 8.119 3.061 ( -1.536 -6.440 0.159) 6.622 3.673 ( -2.935 -5.454 2.233) 6.584 4.474 ( 8.763 3.658 -1.230) 9.575 4.725 ( 5.512 9.000 2.347) 10.811 4.927 ( 1.700 12.245 -0.241) 12.365 5.150 ( -2.997 2.918 -5.028) 6.540 5.300 ( -6.182 6.022 10.266) 13.412 5.811 ( -1.889 -8.866 3.681) 9.784 6.029 ( -6.175 -15.913 -8.088) 18.888 6.483 ( 0.511 -7.380 -2.384) 7.772 7.074 ( -0.910 5.423 3.059) 6.292 7.662 ( 2.670 1.296 -1.754) 3.448 7.704 ( 11.831 -0.573 -1.520) 11.942 7.987 ( 0.146 4.288 -2.606) 5.020 8.474 ( -5.756 5.575 -2.222) 8.316 9.874 ( 3.664 -1.931 2.625) 4.904 10.075 ( -3.094 -2.920 7.904) 8.976 11.642 ( -2.736 -1.709 0.761) 3.314 11.917 ( 1.126 1.821 -0.393) 2.177 12.683 ( -1.923 -2.566 0.006) 3.207 13.114 ( -1.895 3.503 1.063) 4.122 14.992 ( 5.247 -0.416 -3.287) 6.206 15.152 ( 0.316 0.698 -0.645) 1.002 16.017 ( 11.404 -0.149 -3.895) 12.052 16.695 ( -14.882 0.111 0.922) 14.911 19.084 ( 5.420 -0.159 0.474) 5.443 19.250 ( -2.117 -0.526 1.519) 2.658 19.663 ( 1.439 1.966 -1.451) 2.836 19.706 ( 0.099 0.967 -1.551) 1.831 20.891 ( 3.633 -0.898 -0.621) 3.793 21.221 ( -12.000 -1.845 -1.139) 12.194 22.485 ( 9.892 -0.111 2.212) 10.136 22.769 ( -4.499 0.124 2.301) 5.054 ======================= Grid point 115 (44/144) ======================= q-point: (-0.50 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 0.174 -2.697) 2.702 1.537 ( 0.000 2.467 -2.302) 3.374 1.757 ( -0.000 -1.412 -0.365) 1.458 1.790 ( 0.000 -2.367 0.198) 2.375 1.878 ( 0.000 0.283 -0.818) 0.866 2.150 ( 0.000 -2.633 0.063) 2.634 2.581 ( 0.000 3.287 0.709) 3.363 2.706 ( 0.000 9.166 -1.690) 9.320 3.000 ( 0.000 -8.169 0.691) 8.198 3.043 ( 0.000 -8.565 -0.615) 8.587 3.630 ( 0.000 -7.257 3.812) 8.198 4.571 ( 0.000 3.890 -2.733) 4.754 4.830 ( -0.000 12.123 3.424) 12.597 4.919 ( 0.000 13.658 -1.211) 13.712 5.144 ( -0.000 4.655 -2.865) 5.466 5.196 ( 0.000 3.290 7.857) 8.519 5.781 ( 0.000 -13.333 7.996) 15.547 5.971 ( 0.000 -14.593 -10.671) 18.078 6.492 ( 0.000 -7.360 -3.687) 8.232 7.060 ( 0.000 5.524 3.786) 6.697 7.681 ( 0.000 1.752 -1.602) 2.374 7.901 ( 0.000 -2.668 -1.141) 2.902 7.938 ( 0.000 6.771 -3.930) 7.829 8.402 ( 0.000 5.312 -1.854) 5.627 9.924 ( 0.000 -3.786 6.515) 7.535 10.031 ( -0.000 -1.199 4.700) 4.850 11.613 ( 0.000 -2.082 0.817) 2.236 11.928 ( 0.000 2.360 -0.980) 2.555 12.663 ( 0.000 -2.551 0.126) 2.554 13.094 ( 0.000 3.555 1.132) 3.731 15.065 ( 0.000 -0.154 -1.655) 1.662 15.136 ( 0.000 0.124 -2.990) 2.993 16.209 ( 0.000 -1.448 -0.540) 1.545 16.469 ( 0.000 1.568 -1.766) 2.362 19.164 ( -0.000 -0.556 0.856) 1.020 19.206 ( 0.000 0.072 1.241) 1.243 19.683 ( 0.000 1.286 -1.821) 2.229 19.703 ( 0.000 1.816 -1.194) 2.173 20.975 ( -0.000 -2.284 -0.917) 2.461 21.050 ( 0.000 -0.953 -0.776) 1.229 22.642 ( -0.000 -0.094 2.128) 2.130 22.666 ( 0.000 0.210 2.302) 2.311 ======================= Grid point 119 (45/144) ======================= q-point: ( 0.00 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 0.000 -0.653 0.769) 1.008 1.544 ( 0.000 -6.144 -6.533) 8.969 1.623 ( 0.000 -0.099 -6.160) 6.160 1.821 ( 0.000 2.979 -3.899) 4.907 2.133 ( 0.000 -0.615 -1.287) 1.426 2.347 ( 0.000 -4.061 3.479) 5.347 2.502 ( 0.000 -4.173 1.427) 4.410 2.681 ( 0.000 0.306 -1.843) 1.868 2.912 ( 0.000 -8.903 -2.356) 9.210 3.205 ( 0.000 1.007 10.208) 10.257 3.593 ( 0.000 3.238 5.992) 6.811 4.347 ( 0.000 -1.892 -2.748) 3.336 4.471 ( 0.000 -9.714 -11.742) 15.239 5.049 ( 0.000 12.918 8.057) 15.225 5.131 ( 0.000 -11.713 -8.238) 14.320 5.629 ( 0.000 0.973 5.746) 5.828 5.764 ( 0.000 3.517 1.437) 3.800 6.247 ( 0.000 10.453 9.131) 13.880 6.546 ( 0.000 -8.864 1.738) 9.033 7.090 ( 0.000 -0.064 -3.864) 3.865 7.231 ( 0.000 3.867 2.763) 4.753 7.734 ( 0.000 1.341 -3.194) 3.464 7.904 ( 0.000 1.338 0.216) 1.355 8.627 ( 0.000 6.978 -2.550) 7.429 9.750 ( 0.000 -1.194 -1.581) 1.981 10.278 ( 0.000 -9.034 12.419) 15.357 11.750 ( 0.000 -0.793 -0.301) 0.848 11.845 ( 0.000 -3.147 -0.643) 3.212 12.683 ( 0.000 -3.044 -2.869) 4.183 13.286 ( 0.000 4.717 5.818) 7.490 14.774 ( 0.000 2.236 -6.529) 6.901 15.124 ( 0.000 0.377 2.445) 2.474 15.692 ( 0.000 5.812 -9.963) 11.535 17.079 ( 0.000 -3.013 3.722) 4.789 18.951 ( 0.000 0.491 0.876) 1.004 19.299 ( 0.000 -1.863 1.322) 2.284 19.659 ( 0.000 2.896 1.144) 3.114 19.669 ( 0.000 2.283 -1.884) 2.960 20.848 ( 0.000 1.145 0.406) 1.215 21.553 ( 0.000 0.408 -3.367) 3.392 22.202 ( 0.000 -2.348 4.018) 4.654 22.873 ( 0.000 -3.155 1.547) 3.514 ======================= Grid point 120 (46/144) ======================= q-point: ( 0.17 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 3.915 -0.720 -0.153) 3.983 1.524 ( -0.585 -2.472 -9.040) 9.390 1.649 ( 1.753 -1.287 -3.137) 3.817 1.826 ( 0.070 2.960 -2.047) 3.599 2.079 ( -5.081 -0.483 -2.394) 5.638 2.254 ( -6.803 -2.207 4.581) 8.493 2.479 ( -1.470 -4.639 -2.677) 5.554 2.700 ( 1.323 -1.561 -1.326) 2.438 2.916 ( 0.299 -7.410 -1.789) 7.629 3.187 ( -1.735 1.712 9.698) 9.999 3.716 ( 7.674 2.324 6.855) 10.549 4.325 ( 0.949 -1.841 -3.370) 3.955 4.511 ( 2.906 -8.761 -11.827) 15.002 5.038 ( 0.005 5.451 3.967) 6.742 5.133 ( -1.031 -4.522 -5.434) 7.144 5.541 ( -5.296 0.105 5.800) 7.855 5.844 ( 4.332 5.053 3.493) 7.517 6.153 ( -8.560 5.524 7.490) 12.645 6.495 ( -3.703 -1.974 3.079) 5.205 7.083 ( 1.246 -2.537 -2.755) 3.947 7.414 ( 14.263 4.159 1.717) 14.956 7.676 ( -3.795 0.709 -2.539) 4.621 7.952 ( 2.992 2.564 -1.465) 4.204 8.592 ( -3.535 6.557 -2.141) 7.751 9.786 ( 3.659 -2.135 -0.532) 4.270 10.253 ( -2.617 -8.826 11.897) 15.043 11.702 ( -3.447 -1.441 -0.014) 3.736 11.881 ( 2.277 -1.477 -0.616) 2.783 12.671 ( -1.089 -2.647 -2.288) 3.665 13.244 ( -3.725 3.493 4.354) 6.711 14.812 ( 3.817 1.867 -6.484) 7.753 15.148 ( 1.419 0.586 1.517) 2.158 15.756 ( 7.043 5.422 -8.254) 12.130 16.976 ( -10.200 -2.333 2.930) 10.866 18.996 ( 4.336 0.399 1.090) 4.489 19.292 ( -0.711 -1.852 1.440) 2.451 19.656 ( 0.242 3.002 -0.402) 3.039 19.688 ( 1.309 2.379 -0.415) 2.747 20.851 ( 0.487 0.828 0.228) 0.988 21.421 ( -11.225 0.276 -2.492) 11.502 22.317 ( 9.591 -2.267 3.134) 10.342 22.853 ( -2.076 -3.071 1.553) 4.019 ======================= Grid point 121 (47/144) ======================= q-point: ( 0.33 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 6.658 0.275 -2.554) 7.136 1.526 ( -0.161 2.404 -10.400) 10.676 1.684 ( 2.167 -0.827 0.926) 2.497 1.834 ( 0.670 1.323 -0.393) 1.534 1.967 ( -5.132 1.978 2.706) 6.130 2.145 ( -4.300 -2.178 0.594) 4.857 2.462 ( -0.234 -6.565 -7.325) 9.840 2.723 ( 0.869 -0.968 -2.549) 2.862 2.925 ( 0.782 -4.397 -1.080) 4.595 3.130 ( -4.115 2.303 8.557) 9.770 3.752 ( -2.654 -0.702 8.094) 8.546 4.425 ( 5.230 1.227 -7.397) 9.142 4.601 ( 8.627 -8.978 -9.188) 15.474 5.029 ( -5.701 -6.147 -6.013) 10.317 5.118 ( 4.705 4.737 3.214) 7.410 5.444 ( -5.942 1.919 5.454) 8.291 5.883 ( -0.083 3.917 7.747) 8.681 5.989 ( -6.432 3.667 7.503) 10.540 6.444 ( -1.392 2.812 1.181) 3.352 7.110 ( 0.716 -3.388 -0.697) 3.532 7.628 ( 0.009 0.817 -3.154) 3.259 7.706 ( 13.576 3.495 0.599) 14.031 7.981 ( -0.405 4.093 -2.934) 5.052 8.498 ( -5.496 5.927 -1.377) 8.200 9.885 ( 6.133 -4.843 2.692) 8.266 10.177 ( -5.019 -7.646 9.713) 13.342 11.645 ( -2.053 -1.164 1.237) 2.665 11.912 ( 0.836 0.293 -1.258) 1.538 12.650 ( -0.932 -1.897 -1.073) 2.371 13.168 ( -3.398 1.300 1.901) 4.105 14.915 ( 6.383 1.245 -6.007) 8.853 15.137 ( -2.902 0.857 -1.811) 3.526 15.974 ( 14.755 3.996 -3.491) 15.680 16.708 ( -16.379 -0.539 0.867) 16.411 19.098 ( 5.500 -0.024 1.347) 5.663 19.267 ( -1.970 -1.573 1.579) 2.975 19.669 ( 0.890 3.164 -0.853) 3.395 19.710 ( 0.804 2.644 -0.005) 2.763 20.879 ( 2.733 0.180 -0.332) 2.759 21.190 ( -11.296 0.278 -1.491) 11.397 22.511 ( 9.586 -2.386 2.290) 10.140 22.790 ( -4.422 -2.863 1.621) 5.512 ======================= Grid point 122 (48/144) ======================= q-point: (-0.50 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 0.260 -4.399) 4.406 1.505 ( 0.000 5.527 -8.739) 10.340 1.750 ( -0.000 -1.988 3.899) 4.376 1.774 ( 0.000 1.988 -0.397) 2.027 1.949 ( 0.000 3.195 5.577) 6.428 2.094 ( 0.000 -3.515 -3.062) 4.662 2.463 ( 0.000 -7.104 -9.085) 11.533 2.730 ( 0.000 0.929 -3.358) 3.484 2.940 ( 0.000 -1.820 -1.148) 2.152 3.070 ( 0.000 1.373 7.989) 8.106 3.713 ( 0.000 -2.680 9.011) 9.401 4.462 ( 0.000 0.840 -12.249) 12.277 4.786 ( 0.000 -11.042 -3.093) 11.466 4.886 ( 0.000 -1.613 -9.329) 9.467 5.266 ( -0.000 -9.146 3.602) 9.829 5.295 ( 0.000 15.068 5.027) 15.885 5.884 ( 0.000 -10.138 14.258) 17.495 5.921 ( 0.000 17.060 4.132) 17.554 6.433 ( 0.000 3.569 -0.366) 3.588 7.113 ( 0.000 -3.494 0.638) 3.552 7.632 ( 0.000 0.309 -4.300) 4.311 7.917 ( -0.000 2.931 2.494) 3.848 7.918 ( 0.000 5.563 -5.419) 7.766 8.428 ( 0.000 5.804 -1.183) 5.923 9.979 ( 0.000 -8.626 6.899) 11.046 10.096 ( 0.000 -4.641 6.001) 7.586 11.625 ( 0.000 -0.891 2.141) 2.320 11.919 ( 0.000 1.037 -1.864) 2.133 12.640 ( 0.000 -1.526 -0.422) 1.584 13.132 ( 0.000 0.287 0.856) 0.903 15.039 ( -0.000 1.623 -2.129) 2.677 15.047 ( 0.000 0.264 -7.132) 7.137 16.227 ( 0.000 2.094 1.943) 2.857 16.440 ( 0.000 1.501 -3.275) 3.603 19.176 ( 0.000 -0.709 1.349) 1.524 19.227 ( 0.000 -0.961 1.649) 1.909 19.680 ( 0.000 3.116 -0.909) 3.246 19.717 ( 0.000 2.922 0.093) 2.923 20.941 ( 0.000 -0.513 -1.370) 1.463 21.040 ( 0.000 0.681 -0.354) 0.767 22.662 ( 0.000 -2.632 1.696) 3.131 22.692 ( 0.000 -2.603 1.962) 3.260 ======================= Grid point 126 (49/144) ======================= q-point: ( 0.00 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.000 -4.606 -4.405) 6.374 1.355 ( 0.000 -8.150 -8.404) 11.707 1.530 ( 0.000 1.670 -4.300) 4.613 1.689 ( 0.000 -0.555 -11.032) 11.046 2.063 ( 0.000 -3.868 -3.400) 5.150 2.393 ( 0.000 -2.341 3.881) 4.532 2.454 ( 0.000 -8.728 0.464) 8.741 2.688 ( 0.000 0.491 1.830) 1.895 2.774 ( 0.000 -9.883 -1.711) 10.030 3.404 ( 0.000 1.212 10.299) 10.370 3.736 ( 0.000 0.370 4.802) 4.816 4.194 ( 0.000 -8.890 -9.098) 12.720 4.201 ( 0.000 -5.410 -7.563) 9.299 4.935 ( 0.000 -10.788 2.259) 11.022 5.198 ( 0.000 7.047 -1.965) 7.316 5.757 ( 0.000 1.033 7.646) 7.715 5.930 ( 0.000 9.176 9.011) 12.861 6.480 ( 0.000 -8.137 1.494) 8.273 6.530 ( 0.000 16.568 4.940) 17.288 7.022 ( 0.000 2.452 -4.202) 4.865 7.330 ( 0.000 3.543 3.332) 4.864 7.685 ( 0.000 0.540 -3.326) 3.370 7.910 ( 0.000 -0.400 0.150) 0.427 8.655 ( 0.000 7.582 -2.369) 7.944 9.712 ( 0.000 -2.817 -0.486) 2.859 10.401 ( 0.000 -14.023 14.749) 20.352 11.729 ( 0.000 -1.933 -0.348) 1.964 11.787 ( 0.000 -4.331 -1.572) 4.607 12.621 ( 0.000 -2.131 -1.117) 2.406 13.420 ( 0.000 5.676 2.929) 6.387 14.686 ( 0.000 3.823 -6.880) 7.871 15.163 ( 0.000 -0.254 1.838) 1.856 15.571 ( 0.000 9.638 -12.930) 16.127 17.116 ( 0.000 -4.247 4.996) 6.557 18.982 ( 0.000 1.113 1.746) 2.071 19.298 ( 0.000 -2.002 0.937) 2.210 19.667 ( 0.000 4.431 -2.216) 4.955 19.717 ( 0.000 2.519 2.333) 3.434 20.874 ( 0.000 1.585 0.862) 1.804 21.503 ( 0.000 2.814 -4.091) 4.965 22.254 ( 0.000 -4.028 5.680) 6.963 22.845 ( 0.000 -6.297 0.591) 6.325 ======================= Grid point 127 (50/144) ======================= q-point: ( 0.17 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 3.087 -3.744 -4.133) 6.374 1.297 ( -2.115 -4.118 -12.569) 13.394 1.631 ( 7.141 1.085 0.499) 7.240 1.723 ( 3.297 -0.746 -10.077) 10.629 2.008 ( -3.743 -2.406 -3.501) 5.662 2.308 ( -5.952 -1.962 2.394) 6.709 2.428 ( -5.832 -6.012 2.480) 8.735 2.610 ( -1.977 -5.772 -3.220) 6.899 2.863 ( 4.862 -2.590 1.495) 5.708 3.376 ( -2.717 0.766 9.344) 9.762 3.841 ( 5.736 -2.265 3.288) 6.989 4.197 ( 1.944 -10.810 -8.849) 14.105 4.227 ( 3.193 -2.037 -6.074) 7.158 4.910 ( -2.371 -11.469 1.009) 11.755 5.177 ( -1.525 5.936 -1.266) 6.259 5.710 ( -3.275 5.092 8.605) 10.521 5.995 ( 3.896 1.999 8.457) 9.524 6.326 ( -7.864 8.466 3.838) 12.176 6.617 ( 1.186 9.979 5.271) 11.348 6.974 ( -0.900 -2.617 -5.521) 6.175 7.493 ( 11.651 2.426 1.521) 11.997 7.648 ( -1.612 2.112 -1.034) 2.852 7.940 ( 2.009 1.251 -1.946) 3.064 8.626 ( -2.946 7.440 -1.742) 8.189 9.755 ( 4.439 -4.311 0.679) 6.225 10.366 ( -3.583 -13.728 13.923) 19.878 11.684 ( -2.357 -1.854 -0.062) 2.999 11.842 ( 3.211 -2.940 -1.247) 4.528 12.617 ( -0.236 -1.898 -1.079) 2.196 13.335 ( -7.575 3.289 1.355) 8.368 14.720 ( 3.407 3.328 -6.934) 8.412 15.170 ( -0.709 0.511 0.184) 0.893 15.670 ( 10.548 8.916 -9.868) 16.974 17.004 ( -11.039 -3.417 3.686) 12.130 19.032 ( 4.628 1.106 2.233) 5.256 19.295 ( -0.390 -2.019 1.235) 2.398 19.673 ( 0.653 4.588 -1.720) 4.943 19.730 ( 1.096 2.681 1.832) 3.427 20.870 ( -0.161 1.363 0.585) 1.492 21.387 ( -10.098 2.706 -3.020) 10.882 22.349 ( 8.186 -4.177 4.331) 10.159 22.827 ( -1.905 -6.169 0.648) 6.489 ======================= Grid point 128 (51/144) ======================= q-point: ( 0.33 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 5.437 0.538 -7.243) 9.072 1.316 ( 2.569 -0.956 -11.858) 12.171 1.741 ( 4.211 2.366 1.581) 5.082 1.811 ( 4.359 -1.657 -2.697) 5.387 1.978 ( 0.875 1.424 -1.794) 2.452 2.186 ( -6.600 -0.232 3.305) 7.384 2.286 ( -6.174 -6.562 -2.857) 9.452 2.608 ( 0.638 -6.062 -3.976) 7.278 2.946 ( 4.130 2.712 2.787) 5.672 3.295 ( -5.702 0.881 7.138) 9.178 3.841 ( -3.354 -4.377 2.043) 5.880 4.205 ( -0.660 -7.889 -12.781) 15.034 4.416 ( 12.910 -5.312 -2.076) 14.114 4.828 ( -6.729 -11.063 -2.452) 13.178 5.197 ( 4.847 2.507 3.216) 6.334 5.623 ( -6.453 8.452 6.746) 12.593 6.018 ( -1.058 -10.860 10.687) 15.273 6.250 ( -0.076 23.495 5.762) 24.192 6.582 ( -2.866 13.029 4.310) 14.020 7.003 ( 2.129 -7.136 -4.834) 8.878 7.564 ( -0.767 -1.450 -3.278) 3.666 7.777 ( 9.490 5.849 0.533) 11.160 7.973 ( 2.154 4.224 -1.788) 5.068 8.545 ( -4.969 7.597 -0.768) 9.110 9.879 ( 7.859 -8.205 4.078) 12.071 10.261 ( -6.967 -12.083 11.113) 17.834 11.660 ( -0.136 -0.716 1.471) 1.642 11.884 ( 0.991 -1.140 -1.396) 2.057 12.616 ( 0.115 -1.220 -0.954) 1.553 13.185 ( -6.514 -0.971 -0.765) 6.630 14.815 ( 6.101 2.258 -7.207) 9.708 15.109 ( -5.216 1.596 -2.961) 6.207 15.961 ( 18.117 6.525 -4.239) 19.717 16.717 ( -17.541 -0.944 1.044) 17.597 19.134 ( 5.092 0.582 2.533) 5.717 19.278 ( -1.461 -1.753 1.772) 2.889 19.694 ( 1.353 4.768 -0.744) 5.012 19.750 ( 0.767 3.169 1.120) 3.447 20.882 ( 1.763 1.241 -0.156) 2.162 21.177 ( -10.234 2.590 -1.641) 10.683 22.518 ( 8.450 -4.761 2.578) 10.036 22.770 ( -4.021 -5.855 0.886) 7.158 ======================= Grid point 129 (52/144) ======================= q-point: (-0.50 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -0.000 -1.454 -5.235) 5.433 1.341 ( 0.000 3.856 -13.581) 14.118 1.817 ( 0.000 -0.855 0.310) 0.910 1.822 ( -0.000 4.230 0.967) 4.339 2.013 ( 0.000 -3.283 1.245) 3.511 2.088 ( 0.000 2.805 5.104) 5.824 2.232 ( 0.000 -5.871 -7.086) 9.202 2.615 ( 0.000 -5.202 -4.634) 6.967 3.010 ( 0.000 6.353 4.220) 7.627 3.205 ( 0.000 0.664 4.861) 4.906 3.800 ( 0.000 -5.519 3.191) 6.375 4.195 ( 0.000 -6.325 -13.520) 14.926 4.638 ( 0.000 -9.895 -8.104) 12.790 4.665 ( 0.000 -8.221 0.646) 8.247 5.299 ( 0.000 -2.482 7.327) 7.736 5.511 ( 0.000 12.042 4.052) 12.706 6.004 ( 0.000 -11.979 12.009) 16.962 6.259 ( 0.000 26.452 6.925) 27.344 6.550 ( 0.000 13.429 3.011) 13.762 7.024 ( 0.000 -8.228 -3.631) 8.993 7.558 ( 0.000 -0.630 -3.571) 3.626 7.859 ( 0.000 4.509 -6.851) 8.202 8.023 ( 0.000 5.722 4.199) 7.098 8.479 ( 0.000 8.112 -0.673) 8.140 10.003 ( 0.000 -13.425 8.520) 15.900 10.147 ( 0.000 -7.882 6.903) 10.477 11.663 ( 0.000 -0.232 2.614) 2.624 11.890 ( 0.000 -0.181 -1.780) 1.789 12.618 ( 0.000 -0.674 -0.862) 1.095 13.116 ( 0.000 -3.070 -1.482) 3.409 14.914 ( -0.000 1.072 -8.405) 8.473 15.017 ( 0.000 2.536 -3.037) 3.957 16.296 ( -0.000 4.050 1.901) 4.474 16.389 ( 0.000 1.625 -4.181) 4.486 19.201 ( 0.000 -0.183 2.247) 2.254 19.248 ( 0.000 -1.211 2.157) 2.473 19.711 ( 0.000 4.651 0.010) 4.651 19.757 ( 0.000 3.623 0.641) 3.679 20.923 ( 0.000 1.517 -1.136) 1.895 21.048 ( 0.000 2.316 -0.486) 2.366 22.650 ( 0.000 -5.249 1.344) 5.418 22.683 ( -0.000 -5.523 1.560) 5.739 ======================= Grid point 133 (53/144) ======================= q-point: ( 0.00 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.000 -7.811 -12.513) 14.750 1.045 ( 0.000 -7.899 -18.317) 19.948 1.495 ( 0.000 -3.945 -0.597) 3.990 1.496 ( 0.000 -9.027 -6.480) 11.112 1.933 ( 0.000 -7.407 -5.305) 9.111 2.349 ( 0.000 -8.451 -2.193) 8.731 2.403 ( 0.000 -3.669 1.213) 3.864 2.704 ( 0.000 -8.744 4.469) 9.820 2.746 ( 0.000 1.266 3.621) 3.836 3.559 ( 0.000 -1.815 7.617) 7.831 3.640 ( 0.000 -12.862 -6.132) 14.249 3.946 ( 0.000 -10.366 -6.306) 12.133 4.224 ( 0.000 11.064 4.345) 11.887 4.986 ( 0.000 -2.698 9.039) 9.433 5.173 ( 0.000 5.445 -6.419) 8.418 5.885 ( 0.000 -0.369 6.050) 6.061 6.148 ( 0.000 -4.497 10.086) 11.043 6.483 ( 0.000 6.113 1.548) 6.306 6.667 ( 0.000 11.739 -5.431) 12.935 7.050 ( 0.000 9.526 1.335) 9.619 7.389 ( 0.000 -0.701 1.531) 1.684 7.636 ( 0.000 0.279 -2.623) 2.637 7.912 ( 0.000 0.286 0.440) 0.525 8.695 ( 0.000 9.210 -2.266) 9.485 9.680 ( 0.000 -5.300 1.191) 5.432 10.531 ( 0.000 -19.674 20.072) 28.106 11.706 ( 0.000 -2.239 0.086) 2.241 11.716 ( 0.000 -4.527 -1.426) 4.747 12.606 ( 0.000 -0.953 1.087) 1.446 13.467 ( 0.000 8.549 -6.563) 10.778 14.614 ( 0.000 4.417 -5.928) 7.393 15.179 ( 0.000 -1.022 0.835) 1.320 15.422 ( 0.000 11.560 -16.538) 20.178 17.181 ( 0.000 -4.900 7.948) 9.337 19.028 ( 0.000 1.290 1.918) 2.311 19.297 ( 0.000 -1.314 0.900) 1.592 19.670 ( 0.000 5.957 -3.648) 6.985 19.780 ( 0.000 1.729 2.347) 2.915 20.903 ( 0.000 1.868 0.369) 1.904 21.471 ( 0.000 5.041 -3.809) 6.318 22.328 ( 0.000 -5.422 8.416) 10.012 22.774 ( 0.000 -8.806 -0.169) 8.808 ======================= Grid point 134 (54/144) ======================= q-point: ( 0.17 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 1.920 -2.834 -16.696) 17.043 1.063 ( 4.629 -10.157 -7.467) 13.429 1.515 ( 5.560 -2.532 -9.313) 11.137 1.649 ( 8.843 -5.384 -0.467) 10.363 1.905 ( -0.381 -6.507 -3.530) 7.413 2.272 ( -4.859 -5.517 -1.108) 7.435 2.395 ( -4.515 -4.300 1.239) 6.357 2.585 ( -3.834 -0.131 2.778) 4.736 2.889 ( 7.604 -1.425 3.407) 8.454 3.492 ( -5.362 -3.893 4.927) 8.257 3.708 ( 2.800 -11.516 -6.312) 13.428 3.927 ( -0.669 -11.355 -6.115) 12.914 4.302 ( 6.842 9.659 5.108) 12.892 4.919 ( -6.231 -4.040 7.022) 10.220 5.191 ( 2.394 5.757 -2.790) 6.831 5.876 ( -1.360 0.789 6.413) 6.603 6.119 ( -2.459 -7.594 9.081) 12.090 6.518 ( 2.924 17.727 3.540) 18.312 6.714 ( 4.062 3.796 -5.892) 8.101 6.941 ( -7.205 9.816 0.853) 12.206 7.494 ( 3.662 -2.290 -0.010) 4.319 7.695 ( 8.267 4.747 1.639) 9.673 7.919 ( 1.082 1.719 -1.710) 2.655 8.677 ( -1.955 9.416 -1.805) 9.784 9.728 ( 5.003 -7.052 2.420) 8.979 10.479 ( -5.321 -19.206 18.164) 26.965 11.667 ( -0.782 -1.730 0.105) 1.901 11.788 ( 3.879 -3.684 -1.081) 5.458 12.601 ( -0.422 -0.946 0.756) 1.282 13.324 ( -11.951 3.883 -7.577) 14.673 14.643 ( 2.852 3.831 -5.754) 7.478 15.154 ( -3.360 0.402 -2.935) 4.480 15.588 ( 15.723 10.851 -10.311) 21.709 17.040 ( -13.225 -4.760 5.039) 14.932 19.096 ( 5.733 2.124 3.378) 6.985 19.302 ( 0.355 -1.238 1.503) 1.980 19.685 ( 1.655 6.151 -3.072) 7.072 19.788 ( 0.744 2.016 2.040) 2.963 20.893 ( -0.638 1.766 0.189) 1.887 21.373 ( -8.809 5.045 -2.850) 10.544 22.389 ( 5.448 -6.210 6.140) 10.293 22.758 ( -1.654 -8.686 -0.083) 8.842 ======================= Grid point 135 (55/144) ======================= q-point: ( 0.33 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 8.260 0.377 -11.808) 14.415 1.189 ( 6.081 -6.416 -1.943) 9.051 1.638 ( 5.020 -3.571 -8.453) 10.460 1.751 ( 2.288 -6.550 -4.069) 8.043 1.994 ( 7.725 -0.401 0.610) 7.759 2.168 ( -5.373 -0.775 1.719) 5.694 2.300 ( -2.977 1.065 2.203) 3.854 2.539 ( -2.310 0.248 0.180) 2.331 3.025 ( 6.880 2.461 2.506) 7.725 3.366 ( -7.655 -4.432 3.039) 9.353 3.704 ( -1.553 -11.072 -6.685) 13.026 3.931 ( 0.216 -9.940 -6.996) 12.157 4.434 ( 5.960 3.882 3.286) 7.835 4.768 ( -8.619 -3.905 3.026) 9.934 5.301 ( 8.987 4.302 4.865) 11.088 5.792 ( -7.539 2.072 6.304) 10.043 6.094 ( 0.207 -6.756 9.279) 11.479 6.575 ( 2.649 22.437 4.021) 22.948 6.764 ( -0.736 5.941 0.221) 5.990 6.849 ( -0.927 3.724 -5.289) 6.535 7.514 ( 0.464 -0.919 -0.465) 1.129 7.799 ( -0.394 4.208 -3.019) 5.194 8.033 ( 10.328 6.788 2.682) 12.646 8.616 ( -4.021 10.604 -1.324) 11.418 9.870 ( 9.199 -11.503 5.818) 15.837 10.330 ( -9.495 -16.862 13.113) 23.376 11.680 ( 1.777 -0.428 1.426) 2.318 11.845 ( 1.638 -2.258 -1.164) 3.023 12.596 ( -0.018 -0.744 -0.174) 0.764 13.104 ( -8.977 -2.722 -6.961) 11.681 14.721 ( 4.969 2.652 -5.970) 8.208 15.055 ( -6.101 1.198 -5.120) 8.055 15.951 ( 20.104 8.004 -4.770) 22.158 16.721 ( -18.473 -2.191 0.910) 18.625 19.201 ( 4.393 1.967 3.809) 6.138 19.302 ( -0.569 -0.713 2.533) 2.692 19.732 ( 2.733 6.080 -1.118) 6.759 19.802 ( 0.433 2.890 1.287) 3.193 20.898 ( 1.576 2.470 -0.073) 2.931 21.184 ( -9.443 4.859 -1.716) 10.758 22.508 ( 6.229 -7.424 2.927) 10.124 22.709 ( -3.455 -8.492 0.211) 9.170 ======================= Grid point 136 (56/144) ======================= q-point: (-0.50 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 0.771 -7.344) 7.384 1.245 ( 0.000 -4.906 -1.391) 5.100 1.680 ( 0.000 -7.660 -7.702) 10.863 1.774 ( 0.000 -8.389 -6.298) 10.490 2.090 ( 0.000 4.606 -0.722) 4.662 2.115 ( -0.000 2.794 7.206) 7.729 2.273 ( 0.000 5.823 4.482) 7.348 2.503 ( 0.000 -2.500 -4.282) 4.958 3.153 ( 0.000 5.267 4.447) 6.893 3.224 ( -0.000 -4.638 -0.115) 4.640 3.689 ( 0.000 -11.571 -4.123) 12.283 3.929 ( 0.000 -7.911 -8.448) 11.574 4.519 ( 0.000 -2.168 1.070) 2.418 4.645 ( 0.000 -0.821 1.807) 1.985 5.450 ( 0.000 1.255 10.041) 10.120 5.661 ( 0.000 4.536 4.134) 6.137 6.101 ( 0.000 -5.518 9.743) 11.197 6.606 ( 0.000 21.040 4.148) 21.444 6.737 ( 0.000 13.836 2.255) 14.018 6.855 ( 0.000 -4.153 -7.479) 8.555 7.523 ( 0.000 0.670 0.375) 0.768 7.779 ( 0.000 4.224 -6.881) 8.074 8.162 ( 0.000 6.941 5.072) 8.597 8.560 ( -0.000 12.132 -1.573) 12.233 10.021 ( -0.000 -17.776 11.029) 20.920 10.176 ( 0.000 -11.409 6.971) 13.369 11.705 ( 0.000 -0.135 2.404) 2.407 11.856 ( 0.000 -1.150 -1.336) 1.762 12.598 ( 0.000 -0.380 -0.880) 0.959 13.012 ( 0.000 -5.562 -5.862) 8.081 14.795 ( 0.000 1.814 -6.497) 6.746 14.969 ( 0.000 1.586 -5.201) 5.437 16.337 ( -0.000 2.023 -3.522) 4.062 16.352 ( 0.000 3.702 -0.253) 3.710 19.255 ( 0.000 1.161 3.388) 3.581 19.284 ( 0.000 -0.090 2.870) 2.871 19.766 ( 0.000 5.281 0.602) 5.315 19.803 ( 0.000 3.886 0.379) 3.905 20.937 ( 0.000 3.944 -0.110) 3.945 21.063 ( -0.000 3.959 -1.343) 4.180 22.607 ( 0.000 -7.861 1.107) 7.939 22.637 ( -0.000 -8.441 0.965) 8.496 ======================= Grid point 140 (57/144) ======================= q-point: ( 0.00 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 -10.988 -13.689) 17.553 0.625 ( 0.000 -11.268 -16.844) 20.265 1.197 ( 0.000 -25.931 -9.773) 27.711 1.367 ( 0.000 -18.112 -2.335) 18.262 1.808 ( 0.000 -5.661 0.433) 5.678 2.264 ( 0.000 -0.622 -1.536) 1.657 2.390 ( 0.000 -2.363 0.790) 2.491 2.729 ( 0.000 -7.690 6.088) 9.808 2.827 ( 0.000 1.451 4.153) 4.400 3.408 ( 0.000 -10.989 -5.485) 12.282 3.627 ( 0.000 -5.047 4.198) 6.565 3.794 ( 0.000 -5.777 -3.047) 6.531 4.434 ( 0.000 12.725 4.658) 13.551 5.123 ( 0.000 6.780 -5.147) 8.512 5.133 ( 0.000 1.322 7.145) 7.266 5.948 ( 0.000 -1.468 2.380) 2.796 6.157 ( 0.000 -17.978 5.228) 18.723 6.631 ( 0.000 6.955 -7.413) 10.165 6.642 ( 0.000 17.063 1.405) 17.121 7.196 ( 0.000 11.716 1.706) 11.839 7.371 ( 0.000 -5.411 0.176) 5.414 7.605 ( 0.000 0.666 -1.305) 1.466 7.934 ( 0.000 1.970 0.664) 2.079 8.764 ( 0.000 12.238 -1.461) 12.325 9.641 ( 0.000 -8.421 1.645) 8.580 10.782 ( 0.000 -24.332 37.355) 44.581 11.655 ( 0.000 -3.975 -0.804) 4.055 11.689 ( 0.000 -2.101 0.335) 2.128 12.631 ( 0.000 -0.176 2.008) 2.016 13.301 ( 0.000 14.434 -28.604) 32.040 14.571 ( 0.000 3.945 -3.578) 5.326 15.176 ( 0.000 -1.406 0.213) 1.422 15.214 ( 0.000 9.275 -19.103) 21.235 17.310 ( 0.000 -3.964 12.192) 12.820 19.065 ( 0.000 0.745 1.067) 1.301 19.306 ( 0.000 -0.054 0.911) 0.913 19.642 ( 0.000 5.853 -6.736) 8.923 19.826 ( 0.000 0.822 1.409) 1.631 20.915 ( 0.000 1.643 -1.056) 1.953 21.474 ( 0.000 6.630 -2.339) 7.031 22.452 ( 0.000 -5.269 12.360) 13.437 22.676 ( 0.000 -9.996 -0.425) 10.005 ======================= Grid point 141 (58/144) ======================= q-point: ( 0.17 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 10.504 -7.014 -7.576) 14.729 0.823 ( 14.567 -10.661 -7.436) 19.523 1.280 ( 7.796 -16.879 -9.937) 21.081 1.496 ( 9.428 -11.255 -4.719) 15.422 1.763 ( -0.203 -12.336 -1.505) 12.430 2.276 ( 0.960 4.819 2.227) 5.395 2.422 ( -4.060 2.165 2.845) 5.410 2.631 ( -0.544 -0.683 2.431) 2.583 2.955 ( 7.445 1.900 4.240) 8.776 3.437 ( -0.033 -7.220 -3.121) 7.866 3.555 ( -6.751 -7.253 -0.749) 9.937 3.778 ( -0.027 -8.271 -1.017) 8.333 4.490 ( 3.771 10.778 3.821) 12.041 5.026 ( -9.034 0.285 6.319) 11.029 5.212 ( 8.346 6.517 -1.370) 10.677 5.941 ( -1.024 -3.083 2.862) 4.329 6.174 ( 1.454 -12.285 7.603) 14.520 6.591 ( -0.984 2.921 -8.753) 9.280 6.753 ( 5.803 20.408 1.424) 21.265 7.083 ( -6.178 11.685 1.152) 13.268 7.486 ( 2.883 -0.801 1.104) 3.189 7.791 ( 15.336 6.771 3.838) 17.198 7.922 ( 2.028 4.030 -1.022) 4.626 8.752 ( -1.446 12.694 -1.687) 12.887 9.692 ( 5.231 -10.151 2.531) 11.697 10.657 ( -11.857 -25.056 28.190) 39.536 11.653 ( 1.128 -1.409 0.138) 1.810 11.737 ( 3.581 -3.651 -0.658) 5.157 12.619 ( -1.047 -0.370 1.842) 2.151 13.101 ( -14.279 3.447 -23.848) 28.009 14.600 ( 2.580 3.215 -3.022) 5.111 15.067 ( -5.199 -0.148 -6.867) 8.614 15.545 ( 22.338 12.626 -7.080) 26.618 17.075 ( -19.091 -8.104 5.437) 21.441 19.199 ( 8.104 4.983 4.837) 10.672 19.329 ( 2.290 0.334 2.474) 3.388 19.675 ( 3.717 6.908 -5.803) 9.758 19.833 ( 0.672 1.163 1.252) 1.836 20.905 ( -0.439 1.792 -0.906) 2.056 21.390 ( -7.780 6.789 -1.784) 10.478 22.436 ( -0.215 -8.929 7.255) 11.507 22.663 ( -1.484 -9.853 -0.290) 9.969 ======================= Grid point 142 (59/144) ======================= q-point: ( 0.33 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 14.733 -5.101 1.435) 15.657 1.082 ( 10.270 -10.710 -1.437) 14.908 1.410 ( 3.567 -13.921 -8.754) 16.827 1.614 ( 0.880 -1.791 -3.695) 4.200 1.887 ( 13.038 -10.431 -4.698) 17.345 2.263 ( -1.130 3.823 3.832) 5.530 2.361 ( 0.572 6.151 0.987) 6.256 2.597 ( -7.269 4.448 2.669) 8.930 3.066 ( 4.525 2.307 0.080) 5.079 3.335 ( -8.646 -7.517 0.216) 11.459 3.513 ( 3.268 -6.483 -2.867) 7.805 3.773 ( -1.313 -8.514 -1.718) 8.784 4.543 ( 2.241 7.194 2.128) 7.830 4.828 ( -10.174 2.299 4.053) 11.190 5.431 ( 13.083 4.354 4.415) 14.478 5.881 ( -5.779 -2.808 4.784) 8.010 6.209 ( 1.900 -3.899 8.922) 9.920 6.579 ( -0.371 -4.471 -9.425) 10.438 6.837 ( 3.111 18.006 0.207) 18.274 6.977 ( -4.878 14.294 0.921) 15.131 7.535 ( 3.285 2.840 1.080) 4.475 7.795 ( -5.246 4.509 -1.662) 7.114 8.203 ( 14.787 13.661 6.218) 21.070 8.702 ( -3.552 14.573 -2.825) 15.263 9.842 ( 9.986 -14.603 4.900) 18.357 10.380 ( -15.096 -23.070 14.099) 30.966 11.702 ( 3.270 -0.293 1.550) 3.631 11.800 ( 2.297 -2.878 -1.123) 3.850 12.598 ( -0.971 -0.816 1.337) 1.843 12.885 ( -7.332 -4.351 -13.789) 16.211 14.668 ( 4.322 2.019 -2.747) 5.505 14.953 ( -6.277 -0.430 -6.454) 9.013 15.965 ( 20.115 9.902 -3.218) 22.650 16.696 ( -18.942 -5.566 0.203) 19.744 19.293 ( 2.840 3.214 3.018) 5.245 19.361 ( 0.113 1.808 4.051) 4.438 19.771 ( 4.849 7.125 -1.658) 8.777 19.846 ( 0.399 2.197 0.848) 2.388 20.926 ( 3.022 3.858 -0.250) 4.907 21.214 ( -9.315 6.891 -1.281) 11.657 22.468 ( 3.210 -10.767 2.360) 11.481 22.617 ( -3.162 -10.133 -0.204) 10.617 ======================= Grid point 143 (60/144) ======================= q-point: (-0.50 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 0.000 -6.510 2.737) 7.062 1.187 ( 0.000 -11.342 2.249) 11.563 1.473 ( 0.000 -9.051 -5.330) 10.504 1.533 ( 0.000 -10.047 -8.223) 12.983 2.160 ( 0.000 5.748 1.572) 5.959 2.247 ( -0.000 3.441 2.693) 4.370 2.382 ( 0.000 5.611 1.057) 5.710 2.411 ( 0.000 1.115 -4.499) 4.635 3.155 ( 0.000 -5.992 -0.419) 6.007 3.200 ( -0.000 -2.421 -1.807) 3.021 3.574 ( 0.000 -6.101 3.143) 6.863 3.743 ( 0.000 -7.143 -5.031) 8.737 4.590 ( 0.000 4.815 4.576) 6.642 4.691 ( -0.000 4.978 0.327) 4.988 5.640 ( 0.000 2.079 8.982) 9.219 5.749 ( 0.000 0.235 3.246) 3.255 6.231 ( 0.000 -1.282 8.511) 8.607 6.576 ( 0.000 -8.150 -8.879) 12.053 6.890 ( -0.000 12.467 0.994) 12.506 6.902 ( 0.000 18.450 -0.759) 18.465 7.592 ( 0.000 5.456 3.198) 6.324 7.716 ( -0.000 4.513 -5.021) 6.751 8.364 ( 0.000 12.453 8.650) 15.162 8.648 ( -0.000 17.115 -4.963) 17.820 10.026 ( -0.000 -21.660 10.931) 24.262 10.145 ( 0.000 -16.547 4.029) 17.030 11.744 ( 0.000 -0.447 2.342) 2.384 11.819 ( 0.000 -1.710 -1.445) 2.238 12.588 ( 0.000 -1.045 0.903) 1.381 12.814 ( 0.000 -6.221 -9.538) 11.388 14.736 ( 0.000 1.481 -1.939) 2.440 14.865 ( 0.000 -0.430 -7.060) 7.073 16.316 ( -0.000 2.103 -1.119) 2.382 16.356 ( 0.000 2.045 -2.201) 3.004 19.334 ( -0.000 2.566 3.262) 4.150 19.343 ( 0.000 1.775 2.727) 3.254 19.828 ( 0.000 4.817 0.688) 4.865 19.844 ( 0.000 3.873 -0.058) 3.873 20.999 ( 0.000 6.551 1.345) 6.688 21.078 ( -0.000 5.819 -2.334) 6.269 22.535 ( 0.000 -10.247 0.777) 10.277 22.552 ( -0.000 -10.883 0.087) 10.883 ======================= Grid point 147 (61/144) ======================= q-point: ( 0.00 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( 0.000 -15.593 0.000) 15.593 0.350 ( 0.000 -17.863 0.000) 17.863 0.746 ( 0.000 -36.737 0.000) 36.737 1.112 ( 0.000 -24.870 0.000) 24.870 1.816 ( 0.000 -1.196 0.000) 1.196 2.279 ( 0.000 4.886 -0.000) 4.886 2.374 ( 0.000 -1.841 0.000) 1.841 2.717 ( 0.000 -7.134 0.000) 7.134 2.904 ( 0.000 2.446 -0.000) 2.446 3.271 ( 0.000 -6.982 0.000) 6.982 3.627 ( 0.000 -3.777 0.000) 3.777 3.694 ( 0.000 -5.205 0.000) 5.205 4.587 ( 0.000 9.100 -0.000) 9.100 5.157 ( 0.000 10.147 -0.000) 10.147 5.216 ( 0.000 1.952 -0.000) 1.952 5.954 ( 0.000 -1.062 0.000) 1.062 6.018 ( 0.000 -18.993 0.000) 18.993 6.590 ( 0.000 2.460 -0.000) 2.460 6.818 ( 0.000 16.191 -0.000) 16.191 7.303 ( 0.000 -6.861 0.000) 6.861 7.303 ( 0.000 6.765 -0.000) 6.765 7.601 ( 0.000 0.407 -0.000) 0.407 7.962 ( 0.000 2.121 -0.000) 2.121 8.885 ( 0.000 14.641 -0.000) 14.641 9.561 ( 0.000 -11.140 0.000) 11.140 11.354 ( 0.000 1.865 -0.000) 1.865 11.614 ( 0.000 -2.882 0.000) 2.882 11.674 ( 0.000 -2.412 0.000) 2.412 12.674 ( 0.000 -3.275 0.000) 3.275 12.739 ( 0.000 -1.104 0.000) 1.104 14.572 ( 0.000 2.872 -0.000) 2.872 15.014 ( 0.000 -1.122 0.000) 1.122 15.164 ( 0.000 -1.267 0.000) 1.267 17.478 ( 0.000 3.099 -0.000) 3.099 19.078 ( 0.000 0.213 -0.000) 0.213 19.320 ( 0.000 0.616 -0.000) 0.616 19.568 ( 0.000 0.386 -0.000) 0.386 19.843 ( 0.000 0.137 -0.000) 0.137 20.904 ( 0.000 0.126 -0.000) 0.126 21.520 ( 0.000 6.740 -0.000) 6.740 22.576 ( 0.000 -9.047 0.000) 9.047 22.609 ( 0.000 1.682 -0.000) 1.682 ======================= Grid point 148 (62/144) ======================= q-point: ( 0.17 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 18.111 -10.479 0.000) 20.925 0.644 ( 19.739 -10.634 0.000) 22.421 0.928 ( 16.664 -22.353 0.000) 27.881 1.322 ( 11.702 -14.227 0.000) 18.422 1.659 ( -1.531 -6.422 0.000) 6.602 2.348 ( 1.376 3.538 -0.000) 3.796 2.488 ( -9.504 1.291 -0.000) 9.591 2.685 ( 7.308 7.420 -0.000) 10.415 3.076 ( 8.904 12.158 -0.000) 15.070 3.358 ( 4.210 -3.068 0.000) 5.210 3.479 ( -12.821 -6.332 0.000) 14.300 3.697 ( 0.790 -6.506 0.000) 6.554 4.618 ( 0.974 8.085 -0.000) 8.144 5.106 ( -8.558 2.876 -0.000) 9.029 5.269 ( 9.609 7.176 -0.000) 11.993 5.930 ( -0.808 -4.749 0.000) 4.817 6.112 ( 7.048 -12.958 0.000) 14.751 6.536 ( -3.700 3.648 -0.000) 5.196 6.957 ( 3.317 17.832 -0.000) 18.138 7.199 ( -3.728 10.691 -0.000) 11.322 7.503 ( 3.436 1.246 -0.000) 3.655 7.916 ( -0.619 4.214 -0.000) 4.260 8.031 ( 30.937 25.957 -0.000) 40.384 8.873 ( -1.444 15.338 -0.000) 15.406 9.603 ( 4.439 -12.753 0.000) 13.503 10.803 ( -35.250 -32.368 0.000) 47.856 11.648 ( 3.104 -0.987 0.000) 3.257 11.693 ( 2.981 -3.029 0.000) 4.250 12.662 ( -1.080 -3.318 0.000) 3.489 12.682 ( -2.886 -2.908 0.000) 4.097 14.600 ( 2.139 1.936 -0.000) 2.885 14.975 ( -3.820 -1.092 0.000) 3.973 15.625 ( 27.724 19.974 -0.000) 34.170 17.016 ( -26.413 -17.753 0.000) 31.824 19.307 ( 2.422 4.083 -0.000) 4.747 19.438 ( 6.977 10.754 -0.000) 12.819 19.642 ( 11.302 7.504 -0.000) 13.567 19.852 ( 0.901 0.601 -0.000) 1.083 20.905 ( 1.101 1.779 -0.000) 2.092 21.442 ( -7.286 6.901 -0.000) 10.035 22.406 ( -8.079 -15.471 0.000) 17.454 22.569 ( -1.949 -8.858 0.000) 9.069 ======================= Grid point 149 (63/144) ======================= q-point: ( 0.33 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 9.326 -18.603 0.000) 20.809 0.936 ( 16.979 -6.930 0.000) 18.339 1.165 ( 4.887 -14.261 0.000) 15.075 1.584 ( 3.050 1.410 -0.000) 3.360 1.739 ( 18.446 -7.351 0.000) 19.856 2.323 ( 0.232 2.004 -0.000) 2.017 2.420 ( 0.735 4.138 -0.000) 4.203 2.676 ( -10.195 4.867 -0.000) 11.297 3.106 ( -2.467 5.152 -0.000) 5.712 3.243 ( -9.660 -8.616 0.000) 12.945 3.476 ( 7.801 -0.626 0.000) 7.826 3.688 ( -2.239 -6.529 0.000) 6.902 4.631 ( 1.898 6.830 -0.000) 7.089 4.914 ( -10.411 5.598 -0.000) 11.820 5.509 ( 13.919 3.175 -0.000) 14.276 5.902 ( -3.375 -2.880 0.000) 4.437 6.247 ( 6.332 -8.838 0.000) 10.873 6.448 ( -5.006 1.593 -0.000) 5.253 6.985 ( 1.035 12.416 -0.000) 12.459 7.111 ( -5.055 11.123 -0.000) 12.218 7.578 ( 5.070 3.841 -0.000) 6.361 7.826 ( -6.139 4.136 -0.000) 7.402 8.495 ( 15.595 28.525 -0.000) 32.510 8.821 ( -4.067 17.497 -0.000) 17.963 9.733 ( 8.851 -17.170 0.000) 19.317 10.269 ( -20.682 -32.334 0.000) 38.382 11.720 ( 3.843 -0.311 0.000) 3.855 11.757 ( 2.713 -2.609 0.000) 3.764 12.637 ( -1.611 -2.772 0.000) 3.206 12.637 ( -1.352 -3.219 0.000) 3.492 14.659 ( 4.061 0.824 -0.000) 4.144 14.876 ( -5.994 -0.821 0.000) 6.050 16.045 ( 16.866 12.702 -0.000) 21.114 16.618 ( -16.133 -10.439 0.000) 19.216 19.346 ( 2.159 2.361 -0.000) 3.199 19.444 ( -2.229 3.708 -0.000) 4.326 19.826 ( 5.328 7.695 -0.000) 9.360 19.872 ( 0.880 1.766 -0.000) 1.973 20.968 ( 5.353 5.827 -0.000) 7.913 21.275 ( -9.184 7.465 -0.000) 11.835 22.369 ( 2.256 -13.815 0.000) 13.998 22.515 ( -3.470 -9.684 0.000) 10.287 ======================= Grid point 150 (64/144) ======================= q-point: (-0.50 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -2.588 -16.923 0.000) 17.120 1.042 ( 2.588 -16.923 0.000) 17.120 1.379 ( -15.248 -4.167 0.000) 15.807 1.379 ( 15.248 -4.167 0.000) 15.807 2.246 ( -21.668 3.693 0.000) 21.980 2.246 ( 21.668 3.693 -0.000) 21.980 2.424 ( -4.820 3.934 0.000) 6.222 2.424 ( 4.820 3.934 -0.000) 6.222 3.114 ( -2.024 -5.053 0.000) 5.444 3.114 ( 2.024 -5.053 -0.000) 5.444 3.610 ( -2.341 -4.072 0.000) 4.697 3.610 ( 2.341 -4.072 -0.000) 4.697 4.728 ( -5.201 6.871 0.000) 8.617 4.728 ( 5.201 6.871 -0.000) 8.617 5.763 ( -8.995 0.518 0.000) 9.010 5.763 ( 8.995 0.518 -0.000) 9.010 6.353 ( -0.942 -3.745 0.000) 3.862 6.353 ( 0.942 -3.745 -0.000) 3.862 7.025 ( -2.120 10.838 0.000) 11.043 7.025 ( 2.120 10.838 -0.000) 11.043 7.697 ( -4.498 4.948 0.000) 6.686 7.697 ( 4.498 4.948 -0.000) 6.686 8.709 ( -1.890 21.723 0.000) 21.806 8.709 ( 1.890 21.723 -0.000) 21.806 9.947 ( -8.737 -24.050 0.000) 25.588 9.947 ( 8.737 -24.050 -0.000) 25.588 11.774 ( -0.231 -1.204 0.000) 1.226 11.774 ( 0.231 -1.204 -0.000) 1.226 12.621 ( -0.001 -3.083 0.000) 3.083 12.621 ( 0.001 -3.083 -0.000) 3.083 14.757 ( -2.895 -0.140 0.000) 2.899 14.757 ( 2.895 -0.140 -0.000) 2.899 16.335 ( -13.386 1.104 0.000) 13.431 16.335 ( 13.386 1.104 -0.000) 13.431 19.394 ( -2.662 2.489 -0.000) 3.644 19.394 ( 2.662 2.489 -0.000) 3.644 19.877 ( -0.469 3.337 -0.000) 3.370 19.877 ( 0.469 3.337 -0.000) 3.370 21.103 ( -6.415 7.667 0.000) 9.997 21.103 ( 6.415 7.667 -0.000) 9.997 22.439 ( -4.077 -11.093 0.000) 11.818 22.439 ( 4.077 -11.093 0.000) 11.818 ======================= Grid point 168 (65/144) ======================= q-point: ( 0.00 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 0.000 13.894) 13.894 1.109 ( 0.000 0.000 3.516) 3.516 1.800 ( 0.000 0.000 16.643) 16.643 1.865 ( 0.000 0.000 9.530) 9.530 2.067 ( 0.000 -0.000 -8.210) 8.210 2.090 ( 0.000 0.000 2.559) 2.559 2.442 ( 0.000 -0.000 -2.499) 2.499 2.526 ( 0.000 -0.000 -0.565) 0.565 2.740 ( 0.000 0.000 13.372) 13.372 3.523 ( 0.000 -0.000 -1.390) 1.390 3.620 ( 0.000 0.000 8.051) 8.051 4.148 ( 0.000 0.000 21.829) 21.829 4.218 ( 0.000 -0.000 -7.911) 7.911 4.514 ( 0.000 -0.000 -8.819) 8.819 5.218 ( 0.000 -0.000 -13.354) 13.354 5.477 ( 0.000 -0.000 -12.508) 12.508 5.874 ( 0.000 0.000 13.310) 13.310 6.607 ( 0.000 -0.000 -10.916) 10.916 7.054 ( 0.000 0.000 2.652) 2.652 7.322 ( 0.000 -0.000 -8.140) 8.140 7.413 ( 0.000 0.000 5.868) 5.868 7.703 ( 0.000 -0.000 -0.261) 0.261 7.733 ( 0.000 -0.000 -7.480) 7.480 8.527 ( 0.000 -0.000 -6.526) 6.526 9.782 ( 0.000 0.000 10.891) 10.891 9.840 ( 0.000 -0.000 -0.123) 0.123 11.656 ( 0.000 0.000 0.919) 0.919 11.738 ( 0.000 0.000 4.403) 4.403 12.622 ( 0.000 0.000 3.877) 3.877 13.408 ( 0.000 -0.000 -10.810) 10.810 14.922 ( 0.000 0.000 4.831) 4.831 15.071 ( 0.000 -0.000 -3.520) 3.520 16.155 ( 0.000 -0.000 -6.710) 6.710 16.815 ( 0.000 0.000 7.146) 7.146 19.004 ( 0.000 -0.000 -1.770) 1.770 19.229 ( 0.000 0.000 0.414) 0.414 19.673 ( 0.000 -0.000 -3.969) 3.969 19.852 ( 0.000 -0.000 -3.525) 3.525 20.933 ( 0.000 -0.000 -3.818) 3.818 21.739 ( 0.000 0.000 0.566) 0.566 22.009 ( 0.000 0.000 2.967) 2.967 22.642 ( 0.000 0.000 4.797) 4.797 ======================= Grid point 169 (66/144) ======================= q-point: ( 0.17 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 6.720 0.000 12.652) 14.325 1.233 ( 10.744 0.000 1.925) 10.915 1.864 ( -0.169 0.000 6.394) 6.396 1.882 ( 5.361 0.000 14.233) 15.209 2.021 ( -4.445 0.000 2.404) 5.053 2.089 ( 2.240 -0.000 -6.322) 6.707 2.414 ( -1.666 0.000 0.707) 1.810 2.485 ( -3.575 -0.000 -1.299) 3.804 2.867 ( 10.686 0.000 8.788) 13.835 3.455 ( -6.172 0.000 0.347) 6.182 3.678 ( 5.155 0.000 8.722) 10.132 4.129 ( -2.294 0.000 22.158) 22.276 4.286 ( 6.105 -0.000 -8.492) 10.459 4.422 ( -7.165 -0.000 -10.382) 12.615 5.228 ( 0.266 -0.000 -12.105) 12.108 5.394 ( -7.149 -0.000 -8.471) 11.085 5.961 ( 7.673 0.000 8.710) 11.607 6.677 ( 4.056 -0.000 -8.819) 9.707 6.998 ( -3.544 -0.000 -2.375) 4.266 7.247 ( -4.192 -0.000 -4.221) 5.949 7.502 ( 5.650 0.000 0.873) 5.718 7.627 ( -1.710 -0.000 -1.851) 2.520 7.894 ( 9.733 -0.000 -4.598) 10.764 8.494 ( -3.380 -0.000 -6.317) 7.165 9.772 ( -0.898 0.000 10.378) 10.417 9.824 ( -1.523 0.000 0.588) 1.633 11.675 ( 1.889 0.000 0.702) 2.015 11.755 ( 1.485 0.000 3.345) 3.660 12.634 ( 1.372 0.000 3.834) 4.072 13.288 ( -11.067 -0.000 -7.874) 13.583 14.948 ( 2.713 0.000 4.992) 5.681 15.113 ( 3.292 -0.000 -3.288) 4.652 16.189 ( 3.421 -0.000 -6.214) 7.093 16.750 ( -6.285 0.000 6.198) 8.827 19.039 ( 3.224 -0.000 -2.035) 3.813 19.223 ( -0.601 0.000 0.219) 0.639 19.687 ( 1.475 -0.000 -3.893) 4.163 19.844 ( -0.856 -0.000 -3.504) 3.607 20.942 ( 1.345 -0.000 -3.223) 3.492 21.586 ( -11.567 0.000 0.058) 11.567 22.144 ( 9.776 0.000 3.313) 10.322 22.626 ( -1.654 0.000 4.691) 4.974 ======================= Grid point 170 (67/144) ======================= q-point: ( 0.33 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 7.977 0.000 10.734) 13.374 1.436 ( 7.722 0.000 3.092) 8.318 1.833 ( -5.162 0.000 5.846) 7.799 1.856 ( -0.866 0.000 1.463) 1.701 2.072 ( 4.760 0.000 2.164) 5.229 2.135 ( 1.503 -0.000 -1.734) 2.295 2.404 ( 0.791 0.000 2.683) 2.798 2.423 ( -1.762 -0.000 -3.963) 4.337 3.075 ( 9.139 0.000 4.894) 10.367 3.321 ( -6.759 0.000 3.643) 7.678 3.788 ( 5.687 0.000 9.271) 10.877 4.035 ( -7.082 0.000 16.079) 17.570 4.346 ( 0.764 -0.000 -6.156) 6.204 4.403 ( 4.303 -0.000 -7.193) 8.382 5.213 ( -1.703 -0.000 -10.547) 10.683 5.250 ( -6.370 -0.000 -6.359) 9.001 6.139 ( 10.347 0.000 3.904) 11.059 6.602 ( -10.805 -0.000 -0.466) 10.815 7.043 ( 6.587 -0.000 -11.827) 13.538 7.190 ( -1.907 -0.000 -5.043) 5.392 7.595 ( 3.550 -0.000 -1.285) 3.775 7.627 ( 0.889 -0.000 -1.391) 1.651 8.081 ( 9.277 -0.000 -4.613) 10.360 8.397 ( -6.414 -0.000 -5.808) 8.653 9.756 ( -0.433 0.000 8.591) 8.601 9.789 ( -1.830 0.000 2.631) 3.205 11.723 ( 2.760 0.000 0.201) 2.768 11.780 ( 0.628 0.000 1.252) 1.401 12.687 ( 4.382 0.000 3.273) 5.470 13.039 ( -13.028 -0.000 -2.704) 13.306 15.025 ( 4.834 0.000 4.752) 6.779 15.155 ( 0.296 -0.000 -0.951) 0.996 16.283 ( 6.072 -0.000 -4.496) 7.555 16.594 ( -9.011 0.000 3.136) 9.541 19.110 ( 3.625 -0.000 -2.026) 4.153 19.205 ( -1.321 -0.000 -0.368) 1.371 19.727 ( 2.446 -0.000 -3.735) 4.465 19.818 ( -1.766 -0.000 -3.497) 3.918 21.002 ( 5.096 -0.000 -2.312) 5.596 21.353 ( -11.775 -0.000 -0.923) 11.811 22.327 ( 8.705 0.000 3.916) 9.546 22.574 ( -3.835 0.000 4.508) 5.918 ======================= Grid point 171 (68/144) ======================= q-point: (-0.50 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -4.502 0.000 8.483) 9.603 1.455 ( 4.502 0.000 8.483) 9.603 1.818 ( -2.240 0.000 0.875) 2.404 1.818 ( 2.240 0.000 0.875) 2.404 2.128 ( -1.446 0.000 0.026) 1.447 2.128 ( 1.446 0.000 0.026) 1.447 2.419 ( -0.000 0.000 -2.013) 2.013 2.419 ( 0.000 0.000 -2.013) 2.013 3.207 ( -2.982 0.000 4.596) 5.479 3.207 ( 2.982 0.000 4.596) 5.479 3.900 ( -3.057 0.000 10.536) 10.971 3.900 ( 3.057 0.000 10.536) 10.971 4.409 ( -1.283 -0.000 -3.634) 3.854 4.409 ( 1.283 -0.000 -3.634) 3.854 5.187 ( -0.001 0.000 -8.650) 8.650 5.187 ( 0.001 0.000 -8.650) 8.650 6.362 ( -4.599 0.000 1.219) 4.757 6.362 ( 4.599 0.000 1.219) 4.757 7.147 ( -1.058 -0.000 -8.573) 8.638 7.147 ( 1.058 -0.000 -8.573) 8.638 7.635 ( -0.012 0.000 -2.078) 2.078 7.635 ( 0.012 0.000 -2.078) 2.078 8.252 ( -3.881 0.000 -5.138) 6.439 8.252 ( 3.881 0.000 -5.138) 6.439 9.761 ( -0.092 0.000 5.635) 5.636 9.761 ( 0.092 0.000 5.635) 5.636 11.770 ( -0.296 0.000 0.073) 0.305 11.770 ( 0.296 0.000 0.073) 0.305 12.818 ( -5.204 0.000 1.236) 5.348 12.818 ( 5.204 0.000 1.236) 5.348 15.117 ( -3.877 0.000 2.672) 4.708 15.117 ( 3.877 0.000 2.672) 4.708 16.423 ( -7.107 0.000 -1.137) 7.197 16.423 ( 7.107 0.000 -1.137) 7.197 19.169 ( -2.304 -0.000 -1.264) 2.628 19.169 ( 2.304 -0.000 -1.264) 2.628 19.776 ( -2.474 -0.000 -3.580) 4.352 19.776 ( 2.474 -0.000 -3.580) 4.352 21.144 ( -8.607 -0.000 -1.686) 8.771 21.144 ( 8.607 -0.000 -1.686) 8.771 22.475 ( -6.335 0.000 4.298) 7.655 22.475 ( 6.335 0.000 4.298) 7.655 ======================= Grid point 175 (69/144) ======================= q-point: ( 0.00 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.000 0.669 0.354) 0.757 1.344 ( 0.000 4.008 11.881) 12.538 1.895 ( 0.000 -6.971 -2.023) 7.259 2.008 ( 0.000 -3.772 2.000) 4.269 2.086 ( 0.000 4.272 1.693) 4.595 2.125 ( 0.000 8.891 9.662) 13.130 2.360 ( 0.000 -4.689 -2.830) 5.477 2.560 ( 0.000 4.066 1.779) 4.438 2.970 ( 0.000 -1.882 13.086) 13.221 3.448 ( 0.000 -7.445 -3.368) 8.171 3.704 ( 0.000 -1.114 -0.280) 1.148 4.156 ( 0.000 3.304 2.153) 3.943 4.350 ( 0.000 5.936 -4.052) 7.187 4.668 ( 0.000 1.970 25.899) 25.973 5.002 ( 0.000 2.790 -13.032) 13.328 5.288 ( 0.000 4.061 -10.524) 11.281 6.080 ( 0.000 -6.280 10.615) 12.333 6.426 ( 0.000 1.947 -7.525) 7.773 7.003 ( 0.000 -14.371 -7.186) 16.068 7.156 ( 0.000 1.290 -4.319) 4.508 7.448 ( 0.000 -9.076 0.305) 9.081 7.661 ( 0.000 9.419 -3.386) 10.009 7.698 ( 0.000 2.835 -1.683) 3.297 8.465 ( 0.000 5.294 -4.303) 6.822 9.828 ( 0.000 -0.958 -0.251) 0.990 9.992 ( 0.000 0.639 11.968) 11.985 11.684 ( 0.000 1.072 1.566) 1.898 11.818 ( 0.000 0.136 4.465) 4.467 12.715 ( 0.000 -0.168 6.489) 6.491 13.223 ( 0.000 0.164 -9.985) 9.986 14.964 ( 0.000 -3.012 -0.711) 3.095 15.021 ( 0.000 2.748 -1.296) 3.038 15.999 ( 0.000 -2.185 -9.251) 9.506 16.944 ( 0.000 0.990 6.555) 6.629 18.973 ( 0.000 -0.480 -1.434) 1.512 19.256 ( 0.000 0.128 2.455) 2.458 19.609 ( 0.000 1.020 -3.743) 3.880 19.779 ( 0.000 -1.154 -3.973) 4.138 20.871 ( 0.000 -0.240 -2.891) 2.901 21.719 ( 0.000 -2.121 -1.433) 2.559 22.078 ( 0.000 0.930 4.047) 4.153 22.740 ( 0.000 1.591 5.227) 5.464 ======================= Grid point 176 (70/144) ======================= q-point: ( 0.17 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 8.422 -0.476 -0.676) 8.463 1.389 ( 4.360 3.929 9.686) 11.325 1.858 ( -2.980 -4.566 -2.954) 6.201 1.976 ( -5.251 -0.231 -5.540) 7.637 2.059 ( 1.704 -2.273 8.142) 8.624 2.174 ( 1.705 5.928 7.491) 9.704 2.387 ( 2.363 -2.757 0.228) 3.638 2.508 ( -4.411 4.825 0.740) 6.579 3.032 ( 5.814 -2.721 10.611) 12.401 3.405 ( -3.332 -6.815 -2.581) 8.013 3.806 ( 8.175 -0.586 2.641) 8.611 4.178 ( 1.446 0.752 0.347) 1.666 4.310 ( -2.837 7.133 -5.451) 9.415 4.566 ( -7.011 5.462 21.305) 23.085 5.051 ( 2.665 1.061 -7.689) 8.207 5.251 ( -3.644 4.234 -9.070) 10.652 6.108 ( 2.658 -7.668 9.362) 12.390 6.509 ( 7.615 1.787 -8.631) 11.648 6.919 ( -8.698 -9.999 -4.618) 14.034 7.073 ( -4.763 -4.305 -8.140) 10.367 7.537 ( 4.977 -1.511 2.446) 5.748 7.610 ( 0.270 3.671 -2.591) 4.501 7.827 ( 8.362 3.456 -4.163) 9.960 8.437 ( -2.954 4.881 -3.794) 6.852 9.829 ( 0.205 -0.797 0.945) 1.253 9.975 ( -1.659 0.721 11.593) 11.733 11.691 ( 0.735 -0.095 1.234) 1.439 11.820 ( 0.109 1.033 3.220) 3.383 12.720 ( 0.588 -0.568 5.909) 5.965 13.150 ( -6.823 0.891 -7.848) 10.437 14.999 ( 3.279 -2.987 0.507) 4.464 15.059 ( 3.442 2.677 -2.261) 4.912 16.042 ( 4.448 -2.249 -8.711) 10.036 16.861 ( -8.197 0.946 5.510) 9.922 19.008 ( 3.398 -0.380 -1.225) 3.632 19.248 ( -0.917 0.176 2.280) 2.464 19.625 ( 1.537 0.922 -3.682) 4.096 19.773 ( -0.637 -0.903 -3.890) 4.044 20.887 ( 1.890 -0.516 -2.565) 3.228 21.566 ( -12.049 -1.916 -1.175) 12.257 22.211 ( 10.103 0.789 3.727) 10.797 22.722 ( -1.868 1.557 5.099) 5.649 ======================= Grid point 177 (71/144) ======================= q-point: ( 0.33 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 9.302 -1.675 -1.348) 9.548 1.488 ( 4.909 3.322 4.441) 7.406 1.807 ( -2.008 -2.255 -2.688) 4.042 1.860 ( -5.563 1.223 -3.071) 6.471 2.100 ( 1.406 -6.892 2.821) 7.578 2.186 ( -0.053 0.599 4.084) 4.128 2.383 ( -2.377 2.018 1.843) 3.622 2.464 ( -0.160 5.715 -0.120) 5.718 3.160 ( 6.279 -4.540 6.696) 10.241 3.338 ( -3.474 -5.675 0.322) 6.661 3.932 ( 3.296 -4.464 4.446) 7.110 4.152 ( -2.185 3.220 2.220) 4.480 4.344 ( 5.211 9.131 -3.658) 11.131 4.469 ( -2.621 7.302 13.044) 15.177 5.071 ( -0.184 0.499 -4.754) 4.784 5.159 ( -5.275 3.910 -6.159) 9.003 6.176 ( 4.082 -11.888 5.732) 13.814 6.618 ( -2.533 6.170 -3.851) 7.701 6.781 ( 1.404 -9.388 -9.151) 13.185 6.996 ( -3.905 -7.004 -10.445) 13.169 7.575 ( 1.007 0.038 2.033) 2.269 7.680 ( 3.811 8.201 -2.135) 9.292 7.995 ( 8.616 -1.486 -4.260) 9.726 8.350 ( -5.804 4.357 -3.046) 7.871 9.839 ( 0.890 -0.941 4.465) 4.649 9.934 ( -2.229 1.311 9.797) 10.132 11.709 ( 0.910 -2.968 0.337) 3.123 11.821 ( -0.058 3.376 0.955) 3.509 12.743 ( 1.850 -2.159 3.890) 4.818 12.998 ( -7.702 3.076 -3.111) 8.858 15.074 ( 3.947 -2.285 1.036) 4.677 15.125 ( 2.553 1.716 -2.018) 3.679 16.172 ( 8.872 -2.098 -6.497) 11.195 16.649 ( -12.782 0.814 2.440) 13.038 19.089 ( 4.393 -0.132 -0.483) 4.422 19.219 ( -2.025 0.249 1.696) 2.653 19.665 ( 2.463 0.657 -3.590) 4.403 19.752 ( -1.523 -0.323 -3.715) 4.028 20.955 ( 5.406 -1.213 -2.063) 5.912 21.321 ( -12.358 -1.893 -1.554) 12.598 22.404 ( 9.201 1.021 4.037) 10.099 22.665 ( -4.112 1.463 4.803) 6.490 ======================= Grid point 178 (72/144) ======================= q-point: (-0.50 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 -0.639 0.402) 0.755 1.545 ( 0.000 1.535 -0.672) 1.676 1.779 ( 0.000 -1.213 -0.723) 1.413 1.802 ( 0.000 1.255 -1.878) 2.259 2.109 ( 0.000 -7.909 -1.125) 7.989 2.179 ( 0.000 -0.817 4.055) 4.137 2.373 ( 0.000 0.872 2.726) 2.862 2.450 ( 0.000 8.487 -2.849) 8.952 3.243 ( -0.000 -6.782 5.275) 8.592 3.282 ( 0.000 -3.497 1.943) 4.000 3.951 ( 0.000 -10.906 2.354) 11.157 4.141 ( 0.000 11.053 8.793) 14.124 4.401 ( 0.000 6.487 3.386) 7.317 4.458 ( 0.000 9.184 0.970) 9.235 5.079 ( -0.000 1.366 -2.674) 3.003 5.081 ( 0.000 2.512 -5.905) 6.417 6.234 ( 0.000 -17.879 2.649) 18.074 6.531 ( 0.000 10.305 0.435) 10.314 6.891 ( 0.000 -8.217 -12.705) 15.131 6.907 ( -0.000 -7.658 -10.686) 13.146 7.588 ( 0.000 -0.114 1.998) 2.002 7.718 ( 0.000 11.609 -2.830) 11.948 8.117 ( 0.000 -6.848 -3.229) 7.571 8.255 ( 0.000 7.280 -3.156) 7.935 9.855 ( 0.000 -2.211 8.457) 8.741 9.905 ( 0.000 2.782 6.708) 7.262 11.719 ( 0.000 -4.943 -0.261) 4.950 11.819 ( 0.000 5.090 -0.035) 5.090 12.776 ( 0.000 -5.761 1.011) 5.849 12.902 ( 0.000 6.954 0.986) 7.023 15.124 ( 0.000 -1.382 -0.797) 1.595 15.144 ( 0.000 0.562 0.238) 0.610 16.353 ( 0.000 -4.267 -2.765) 5.084 16.426 ( 0.000 3.135 -1.610) 3.524 19.162 ( 0.000 -0.324 0.607) 0.689 19.171 ( -0.000 0.616 0.733) 0.958 19.714 ( -2.363 0.244 -3.592) 4.306 19.714 ( 2.363 0.251 -3.589) 4.304 21.090 ( -0.000 -3.024 -1.590) 3.417 21.116 ( 0.000 -0.456 -2.077) 2.126 22.557 ( -0.000 0.963 4.407) 4.511 22.563 ( 0.000 1.606 4.482) 4.761 ======================= Grid point 182 (73/144) ======================= q-point: ( 0.00 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.000 0.811 0.810) 1.146 1.565 ( 0.000 4.620 8.054) 9.285 1.782 ( 0.000 -3.799 -4.678) 6.026 1.872 ( 0.000 -2.421 -8.876) 9.200 2.205 ( 0.000 -2.005 3.866) 4.355 2.312 ( 0.000 -1.685 3.396) 3.791 2.363 ( 0.000 5.786 8.613) 10.376 2.637 ( 0.000 5.140 0.718) 5.190 3.123 ( 0.000 -6.926 8.722) 11.138 3.294 ( 0.000 -11.034 -1.841) 11.186 3.613 ( 0.000 -4.141 -3.951) 5.723 4.357 ( 0.000 3.904 -0.672) 3.961 4.361 ( 0.000 12.252 10.166) 15.921 4.819 ( 0.000 3.101 -11.396) 11.810 5.095 ( 0.000 5.446 10.572) 11.892 5.261 ( 0.000 9.026 6.412) 11.071 6.003 ( 0.000 -13.674 -4.074) 14.268 6.504 ( 0.000 6.505 7.521) 9.944 6.626 ( 0.000 -20.556 -12.340) 23.975 7.141 ( 0.000 1.099 -1.623) 1.960 7.305 ( 0.000 -8.026 -4.579) 9.241 7.694 ( 0.000 4.677 -3.168) 5.649 7.748 ( 0.000 8.119 1.508) 8.258 8.460 ( 0.000 7.052 -3.535) 7.888 9.807 ( 0.000 -1.176 -0.922) 1.494 10.208 ( 0.000 -2.145 13.690) 13.857 11.724 ( 0.000 1.350 1.421) 1.960 11.883 ( 0.000 -0.866 3.138) 3.255 12.806 ( 0.000 -3.096 3.858) 4.946 13.104 ( 0.000 3.605 -3.913) 5.320 14.868 ( 0.000 -0.584 -6.623) 6.649 15.059 ( 0.000 1.088 2.177) 2.434 15.808 ( 0.000 -0.400 -11.069) 11.076 17.051 ( 0.000 -0.420 5.354) 5.370 18.950 ( 0.000 -0.389 -0.587) 0.704 19.306 ( 0.000 -1.019 3.348) 3.499 19.571 ( 0.000 2.834 -2.523) 3.794 19.701 ( 0.000 -0.638 -3.746) 3.800 20.834 ( 0.000 0.282 -1.283) 1.314 21.656 ( 0.000 -2.485 -3.072) 3.951 22.158 ( 0.000 0.103 4.478) 4.479 22.841 ( 0.000 0.856 4.765) 4.841 ======================= Grid point 183 (74/144) ======================= q-point: ( 0.17 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 6.219 0.253 -0.125) 6.226 1.566 ( -0.113 4.208 5.042) 6.568 1.758 ( -1.316 -3.235 -3.299) 4.805 1.845 ( -2.701 -1.088 -7.975) 8.490 2.143 ( -5.136 -3.259 3.593) 7.065 2.263 ( -2.270 -2.736 2.898) 4.587 2.462 ( 5.112 4.084 5.557) 8.584 2.588 ( -3.827 6.759 1.281) 7.872 3.146 ( 2.107 -7.587 7.371) 10.786 3.263 ( -1.828 -10.435 -1.969) 10.776 3.736 ( 8.963 -5.485 -2.799) 10.875 4.303 ( -3.071 5.622 0.607) 6.435 4.393 ( 2.756 12.602 8.807) 15.620 4.775 ( -3.939 6.733 -6.377) 10.076 5.086 ( -0.950 3.991 4.344) 5.975 5.246 ( -1.872 7.710 7.428) 10.868 6.038 ( 2.997 -14.941 -2.656) 15.469 6.474 ( -3.795 -3.947 -1.957) 5.814 6.625 ( 0.546 -13.008 -6.152) 14.400 7.012 ( -6.905 3.025 -0.885) 7.590 7.488 ( 12.084 -4.300 -3.315) 13.248 7.632 ( -2.744 3.907 -0.653) 4.818 7.825 ( 4.601 7.278 -2.456) 8.954 8.436 ( -2.624 6.353 -2.957) 7.483 9.832 ( 2.614 -1.090 0.448) 2.868 10.186 ( -2.240 -2.095 13.409) 13.755 11.713 ( -1.071 -0.095 1.163) 1.584 11.876 ( -0.601 0.536 2.208) 2.350 12.790 ( -1.533 -3.743 2.962) 5.013 13.073 ( -2.783 4.510 -2.430) 5.830 14.912 ( 4.159 -0.872 -6.290) 7.591 15.090 ( 2.673 1.287 1.813) 3.477 15.861 ( 5.633 -0.699 -10.229) 11.698 16.951 ( -9.938 -0.228 4.347) 10.849 18.991 ( 3.975 -0.315 -0.295) 3.999 19.295 ( -1.117 -0.823 3.233) 3.518 19.585 ( 1.392 2.567 -2.607) 3.914 19.701 ( -0.159 -0.305 -3.575) 3.591 20.850 ( 1.815 -0.139 -1.225) 2.194 21.512 ( -11.863 -2.430 -2.425) 12.350 22.282 ( 10.016 0.129 3.885) 10.744 22.821 ( -2.095 0.852 4.654) 5.175 ======================= Grid point 184 (75/144) ======================= q-point: ( 0.33 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 7.971 -0.426 -2.372) 8.327 1.548 ( -1.751 2.415 -1.275) 3.245 1.766 ( 1.437 -0.967 -0.853) 1.931 1.797 ( -0.778 0.333 -3.447) 3.550 2.029 ( -6.049 -7.442 -1.115) 9.655 2.226 ( -1.411 -3.022 2.015) 3.897 2.494 ( -1.101 4.908 3.459) 6.104 2.535 ( -2.099 9.581 0.382) 9.816 3.191 ( 2.067 -9.804 3.748) 10.698 3.242 ( -0.499 -10.480 -0.096) 10.493 3.836 ( 0.949 -10.526 -0.414) 10.577 4.327 ( 5.437 11.190 0.979) 12.479 4.471 ( 5.122 13.779 7.215) 16.375 4.683 ( -5.252 11.191 -0.792) 12.387 5.067 ( -0.631 3.042 -0.656) 3.175 5.181 ( -4.469 5.456 7.080) 9.993 6.090 ( 1.829 -17.265 1.164) 17.401 6.375 ( -4.995 -14.949 -12.171) 19.913 6.649 ( 1.520 -7.383 -4.274) 8.665 6.918 ( -3.051 8.616 2.605) 9.504 7.611 ( 0.597 2.976 -0.554) 3.086 7.694 ( 7.408 3.893 -3.207) 8.962 7.916 ( 5.308 1.048 -4.066) 6.768 8.355 ( -5.418 5.654 -2.335) 8.171 9.906 ( 4.854 -1.291 4.335) 6.635 10.121 ( -4.268 -1.708 11.826) 12.688 11.688 ( -1.210 -2.839 0.695) 3.163 11.865 ( -0.489 3.217 0.243) 3.263 12.756 ( -1.602 -4.796 1.407) 5.248 13.017 ( -2.520 6.000 0.319) 6.516 15.009 ( 5.161 -1.119 -4.995) 7.270 15.132 ( 0.953 1.166 -0.290) 1.534 16.035 ( 12.226 -1.272 -6.909) 14.101 16.690 ( -15.928 0.357 1.576) 16.010 19.088 ( 5.435 -0.190 0.511) 5.463 19.259 ( -2.639 -0.363 2.705) 3.797 19.621 ( 2.176 1.942 -2.767) 4.020 19.691 ( -0.897 0.479 -3.203) 3.361 20.914 ( 4.956 -1.190 -1.294) 5.258 21.268 ( -12.316 -2.356 -2.088) 12.712 22.480 ( 9.625 0.395 3.834) 10.368 22.758 ( -4.460 0.819 4.389) 6.311 ======================= Grid point 185 (76/144) ======================= q-point: (-0.50 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 0.163 -3.574) 3.577 1.501 ( -0.000 1.289 -4.227) 4.419 1.777 ( 0.000 -0.668 0.193) 0.695 1.806 ( 0.000 0.896 1.285) 1.567 1.960 ( 0.000 -8.706 -4.822) 9.952 2.212 ( 0.000 -2.795 1.408) 3.129 2.484 ( 0.000 5.441 3.827) 6.652 2.495 ( 0.000 11.009 -2.654) 11.325 3.213 ( 0.000 -11.364 0.289) 11.368 3.238 ( 0.000 -10.094 2.739) 10.459 3.836 ( 0.000 -13.044 1.386) 13.118 4.406 ( 0.000 13.915 3.490) 14.346 4.556 ( -0.000 11.738 -0.066) 11.739 4.599 ( 0.000 15.792 3.937) 16.275 5.067 ( 0.000 2.753 1.580) 3.174 5.117 ( 0.000 3.810 4.123) 5.614 6.106 ( 0.000 -18.393 3.587) 18.739 6.321 ( 0.000 -16.630 -15.014) 22.405 6.668 ( 0.000 -8.317 -7.072) 10.917 6.887 ( 0.000 10.882 5.302) 12.105 7.623 ( 0.000 3.349 -0.842) 3.453 7.761 ( 0.000 10.333 -4.466) 11.257 7.998 ( 0.000 -6.574 -2.743) 7.123 8.276 ( 0.000 7.115 -2.642) 7.589 9.991 ( 0.000 -2.869 9.598) 10.017 10.044 ( 0.000 -0.080 7.766) 7.767 11.675 ( 0.000 -4.098 0.492) 4.127 11.860 ( 0.000 4.457 -0.800) 4.528 12.739 ( 0.000 -5.190 0.774) 5.247 12.990 ( 0.000 6.575 1.575) 6.761 15.077 ( 0.000 -1.111 -2.815) 3.026 15.127 ( 0.000 0.865 -3.227) 3.341 16.264 ( 0.000 -3.946 -2.203) 4.519 16.423 ( 0.000 3.165 -2.453) 4.004 19.177 ( 0.000 -0.714 1.463) 1.627 19.200 ( -0.000 0.473 1.870) 1.929 19.660 ( 0.000 0.972 -3.206) 3.350 19.667 ( 0.000 1.546 -2.646) 3.064 21.033 ( 0.000 -3.046 -1.635) 3.457 21.074 ( 0.000 -1.025 -1.743) 2.022 22.637 ( -0.000 0.334 4.011) 4.024 22.652 ( 0.000 1.002 4.156) 4.275 ======================= Grid point 189 (77/144) ======================= q-point: ( 0.00 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 0.083 2.665) 2.667 1.638 ( 0.000 -3.059 -3.259) 4.470 1.653 ( 0.000 -2.535 -6.843) 7.298 1.755 ( 0.000 2.989 -2.680) 4.014 2.185 ( 0.000 -4.724 0.018) 4.724 2.398 ( 0.000 -0.637 4.542) 4.587 2.521 ( 0.000 1.730 5.243) 5.521 2.648 ( 0.000 3.071 -3.364) 4.555 3.122 ( 0.000 -12.253 2.433) 12.492 3.256 ( 0.000 -6.095 8.052) 10.099 3.571 ( 0.000 -0.651 2.738) 2.814 4.381 ( 0.000 -0.843 1.075) 1.366 4.561 ( 0.000 1.539 -6.198) 6.386 4.770 ( 0.000 13.533 5.668) 14.672 5.168 ( 0.000 6.229 -2.694) 6.787 5.568 ( 0.000 4.457 11.799) 12.613 5.808 ( 0.000 -7.978 -4.468) 9.143 6.288 ( 0.000 -12.864 -4.028) 13.480 6.670 ( 0.000 -1.582 6.867) 7.047 7.096 ( 0.000 -0.134 -4.216) 4.218 7.193 ( 0.000 -1.342 -1.649) 2.126 7.676 ( 0.000 4.637 -4.054) 6.160 7.842 ( 0.000 4.658 1.869) 5.019 8.473 ( 0.000 7.760 -3.333) 8.446 9.777 ( 0.000 -1.510 -0.788) 1.703 10.421 ( 0.000 -5.416 15.112) 16.053 11.751 ( 0.000 0.550 0.544) 0.773 11.903 ( 0.000 -2.648 1.121) 2.876 12.765 ( 0.000 -5.361 -1.958) 5.707 13.173 ( 0.000 6.735 3.775) 7.721 14.741 ( 0.000 1.223 -8.176) 8.267 15.110 ( 0.000 0.894 2.479) 2.635 15.617 ( 0.000 2.225 -11.886) 12.092 17.122 ( 0.000 -1.545 4.084) 4.367 18.947 ( 0.000 -0.003 0.467) 0.467 19.339 ( 0.000 -2.386 2.278) 3.299 19.584 ( 0.000 4.427 -0.014) 4.427 19.641 ( 0.000 0.719 -3.212) 3.292 20.831 ( 0.000 0.612 0.378) 0.720 21.571 ( 0.000 -1.760 -4.185) 4.541 22.233 ( 0.000 -0.938 4.698) 4.791 22.914 ( 0.000 -1.216 3.765) 3.956 ======================= Grid point 190 (78/144) ======================= q-point: ( 0.17 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 4.183 -0.197 1.608) 4.486 1.559 ( -4.318 -1.236 -7.143) 8.438 1.695 ( 1.149 -2.543 -4.593) 5.375 1.757 ( 0.341 3.250 -0.310) 3.283 2.126 ( -6.024 -4.352 -0.390) 7.442 2.300 ( -6.386 -2.403 4.130) 7.976 2.534 ( 0.422 -0.388 -1.086) 1.228 2.658 ( 0.085 5.250 0.517) 5.276 3.126 ( 0.323 -12.618 2.214) 12.815 3.217 ( -2.651 -5.353 6.758) 9.020 3.710 ( 9.677 -1.465 4.445) 10.749 4.330 ( -2.589 1.609 -1.204) 3.278 4.592 ( 1.948 0.981 -5.253) 5.688 4.786 ( 2.312 14.740 6.346) 16.214 5.132 ( -3.396 5.691 -2.366) 7.037 5.531 ( -3.664 4.437 11.175) 12.569 5.837 ( 2.212 -8.680 -5.295) 10.406 6.240 ( -4.652 -12.379 -2.622) 13.481 6.599 ( -5.251 -5.622 3.599) 8.493 7.062 ( 0.113 4.923 0.537) 4.953 7.389 ( 13.936 -2.143 -3.021) 14.419 7.637 ( -2.731 3.247 -2.714) 5.037 7.863 ( 1.310 6.314 -1.333) 6.584 8.451 ( -2.490 6.916 -2.796) 7.864 9.826 ( 4.914 -1.833 0.595) 5.279 10.394 ( -2.904 -5.394 14.687) 15.913 11.724 ( -2.339 -0.697 0.514) 2.494 11.902 ( -0.340 -0.778 0.825) 1.184 12.747 ( -1.598 -5.162 -1.366) 5.574 13.148 ( -2.303 6.266 3.075) 7.350 14.786 ( 4.479 0.840 -7.930) 9.146 15.131 ( 1.237 1.016 1.422) 2.142 15.687 ( 7.692 1.958 -10.289) 12.995 17.008 ( -11.289 -1.098 3.134) 11.767 18.993 ( 4.449 -0.007 0.710) 4.505 19.332 ( -0.918 -2.218 2.493) 3.461 19.588 ( 0.509 3.986 -0.953) 4.130 19.650 ( 0.683 1.286 -2.545) 2.932 20.842 ( 1.254 0.170 0.205) 1.282 21.441 ( -11.149 -1.796 -3.334) 11.774 22.346 ( 9.567 -0.913 3.995) 10.408 22.893 ( -2.220 -1.152 3.699) 4.465 ======================= Grid point 191 (79/144) ======================= q-point: ( 0.33 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 5.274 -0.209 -1.904) 5.611 1.488 ( -3.074 1.555 -8.152) 8.850 1.708 ( 1.533 -1.328 -1.844) 2.741 1.795 ( 3.496 1.977 -0.474) 4.044 1.975 ( -8.386 -3.204 1.498) 9.101 2.208 ( -3.167 -3.988 0.425) 5.110 2.534 ( -0.241 0.061 -2.768) 2.779 2.628 ( -3.387 8.706 -0.601) 9.361 3.130 ( -0.039 -13.833 0.559) 13.845 3.170 ( -1.923 -7.060 6.005) 9.466 3.816 ( 1.213 -5.558 7.163) 9.147 4.353 ( 3.717 6.272 -6.712) 9.910 4.641 ( 4.397 4.390 -3.032) 6.913 4.847 ( 1.489 17.077 7.360) 18.655 5.074 ( -0.412 1.807 -1.295) 2.261 5.419 ( -7.816 5.675 9.774) 13.741 5.879 ( 2.229 -11.876 -8.205) 14.606 6.128 ( -5.946 -10.962 2.717) 12.763 6.527 ( -1.957 -8.452 -0.401) 8.685 7.076 ( 0.566 6.907 3.720) 7.866 7.597 ( 0.946 1.979 -3.660) 4.267 7.660 ( 10.147 2.078 -2.854) 10.743 7.882 ( 1.187 4.827 -3.497) 6.078 8.372 ( -5.345 6.277 -2.464) 8.605 9.961 ( 8.607 -2.941 4.374) 10.093 10.303 ( -6.444 -4.990 12.717) 15.104 11.680 ( -1.772 -2.195 1.197) 3.065 11.888 ( -0.936 1.956 -0.461) 2.217 12.716 ( -1.366 -4.833 -0.175) 5.025 13.100 ( -2.188 5.450 1.948) 6.188 14.900 ( 6.746 0.328 -6.923) 9.672 15.121 ( -2.638 0.821 -2.165) 3.510 15.924 ( 16.191 1.234 -5.614) 17.181 16.711 ( -18.246 0.099 0.696) 18.260 19.101 ( 6.061 -0.207 1.224) 6.187 19.297 ( -2.753 -1.482 2.527) 4.020 19.607 ( 1.297 3.148 -2.000) 3.949 19.659 ( 0.071 2.258 -1.807) 2.893 20.889 ( 3.816 -0.914 -0.406) 3.945 21.209 ( -11.553 -1.715 -2.320) 11.908 22.542 ( 9.694 -0.890 3.550) 10.362 22.827 ( -4.633 -1.002 3.567) 5.932 ======================= Grid point 192 (80/144) ======================= q-point: (-0.50 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -0.000 2.535 -7.939) 8.334 1.425 ( 0.000 0.517 -3.815) 3.850 1.777 ( 0.000 -0.721 1.622) 1.775 1.793 ( 0.000 -3.082 -3.998) 5.048 1.889 ( 0.000 1.524 3.878) 4.167 2.174 ( 0.000 -4.249 -1.559) 4.526 2.532 ( 0.000 0.645 -3.186) 3.250 2.572 ( 0.000 11.672 -1.551) 11.775 3.128 ( 0.000 -13.830 -1.021) 13.868 3.152 ( 0.000 -9.647 6.142) 11.436 3.819 ( 0.000 -7.760 8.249) 11.326 4.393 ( 0.000 5.916 -10.942) 12.439 4.763 ( 0.000 12.221 -2.005) 12.384 4.781 ( -0.000 13.003 6.354) 14.473 5.129 ( 0.000 0.518 2.310) 2.367 5.291 ( 0.000 6.642 8.823) 11.044 5.912 ( 0.000 -14.099 -11.795) 18.382 6.055 ( 0.000 -9.419 7.795) 12.226 6.511 ( 0.000 -8.874 -1.623) 9.021 7.080 ( 0.000 6.852 4.916) 8.433 7.606 ( 0.000 2.406 -4.321) 4.946 7.765 ( 0.000 9.368 -6.067) 11.161 7.916 ( 0.000 -3.112 -0.499) 3.151 8.297 ( 0.000 7.278 -3.071) 7.899 10.118 ( 0.000 -5.445 9.602) 11.038 10.169 ( -0.000 -2.873 8.299) 8.782 11.662 ( 0.000 -2.773 1.958) 3.395 11.876 ( 0.000 3.137 -1.474) 3.466 12.702 ( 0.000 -4.688 0.435) 4.708 13.077 ( 0.000 5.084 1.492) 5.298 15.017 ( -0.000 0.539 -3.558) 3.598 15.045 ( 0.000 0.206 -6.796) 6.800 16.217 ( 0.000 -1.095 -0.222) 1.117 16.399 ( 0.000 2.689 -3.609) 4.501 19.195 ( 0.000 -1.161 1.644) 2.013 19.239 ( 0.000 -0.192 2.223) 2.232 19.625 ( 0.000 2.327 -2.501) 3.416 19.655 ( 0.000 3.122 -1.359) 3.405 20.976 ( -0.000 -2.628 -1.575) 3.064 21.041 ( 0.000 -0.526 -1.077) 1.199 22.698 ( -0.000 -1.197 3.387) 3.593 22.721 ( 0.000 -0.615 3.570) 3.622 ======================= Grid point 196 (81/144) ======================= q-point: ( 0.00 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 -3.150 0.854) 3.264 1.502 ( 0.000 -7.142 -6.555) 9.695 1.512 ( 0.000 -0.325 -6.184) 6.193 1.694 ( 0.000 0.365 -6.565) 6.575 2.133 ( 0.000 -3.726 -1.169) 3.905 2.444 ( 0.000 -1.919 3.352) 3.863 2.583 ( 0.000 -3.721 3.332) 4.995 2.648 ( 0.000 3.213 0.013) 3.213 3.011 ( 0.000 -14.446 0.963) 14.478 3.412 ( 0.000 -2.294 12.823) 13.027 3.678 ( 0.000 3.249 7.063) 7.775 4.347 ( 0.000 -6.791 -1.889) 7.049 4.351 ( 0.000 -6.996 -11.321) 13.308 5.024 ( 0.000 11.797 3.585) 12.329 5.118 ( 0.000 -4.538 -2.946) 5.410 5.718 ( 0.000 1.005 6.278) 6.358 5.750 ( 0.000 4.943 1.099) 5.064 6.300 ( 0.000 5.707 5.670) 8.045 6.692 ( 0.000 -10.376 3.551) 10.966 7.001 ( 0.000 0.222 -6.247) 6.251 7.234 ( 0.000 5.501 2.782) 6.164 7.645 ( 0.000 3.741 -4.213) 5.634 7.899 ( 0.000 1.449 1.192) 1.876 8.493 ( 0.000 8.277 -3.441) 8.964 9.755 ( 0.000 -1.664 0.107) 1.668 10.624 ( 0.000 -8.802 16.400) 18.613 11.754 ( 0.000 -0.541 -0.097) 0.550 11.874 ( 0.000 -4.360 -0.379) 4.376 12.686 ( 0.000 -4.666 -1.010) 4.774 13.295 ( 0.000 7.233 1.120) 7.319 14.618 ( 0.000 3.074 -8.134) 8.695 15.158 ( 0.000 0.631 2.099) 2.191 15.443 ( 0.000 3.975 -11.675) 12.333 17.169 ( 0.000 -1.590 3.437) 3.787 18.966 ( 0.000 0.542 1.421) 1.521 19.341 ( 0.000 -2.416 0.842) 2.559 19.604 ( 0.000 2.217 -2.765) 3.544 19.648 ( 0.000 4.401 1.961) 4.818 20.854 ( 0.000 0.515 1.474) 1.561 21.483 ( 0.000 -0.434 -4.568) 4.588 22.305 ( 0.000 -1.496 5.101) 5.316 22.944 ( 0.000 -3.862 2.501) 4.601 ======================= Grid point 197 (82/144) ======================= q-point: ( 0.17 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 1.569 -3.062 -0.329) 3.456 1.367 ( -5.598 -3.237 -10.458) 12.295 1.631 ( 5.304 -1.109 -0.862) 5.487 1.726 ( 2.830 0.532 -6.147) 6.788 2.065 ( -5.844 -3.787 -1.483) 7.119 2.352 ( -7.752 -2.183 3.972) 8.980 2.484 ( -4.505 -0.827 -0.879) 4.664 2.702 ( 0.770 -0.388 0.519) 1.007 3.010 ( -0.174 -13.773 1.279) 13.833 3.370 ( -3.233 -0.579 11.807) 12.256 3.831 ( 10.173 1.399 8.042) 13.043 4.269 ( -3.210 -2.408 -6.236) 7.416 4.416 ( 3.767 -8.712 -7.604) 12.161 5.034 ( 1.764 9.917 3.645) 10.712 5.093 ( -2.807 -3.594 -3.123) 5.527 5.640 ( -4.637 -1.413 4.783) 6.810 5.810 ( 2.094 9.890 2.186) 10.343 6.256 ( -3.445 2.230 6.431) 7.629 6.597 ( -7.336 -6.303 3.894) 10.426 7.038 ( 3.651 -2.430 -5.094) 6.722 7.398 ( 13.428 5.446 1.887) 14.613 7.610 ( -2.885 2.631 -3.328) 5.130 7.888 ( -1.046 3.920 -1.636) 4.375 8.472 ( -2.379 7.552 -2.857) 8.417 9.821 ( 6.676 -2.490 1.405) 7.263 10.587 ( -3.987 -8.775 15.651) 18.381 11.718 ( -2.522 -1.433 0.136) 2.904 11.891 ( 0.844 -2.212 -0.241) 2.380 12.679 ( -0.583 -4.515 -0.673) 4.602 13.247 ( -4.294 5.791 0.433) 7.222 14.663 ( 4.458 2.452 -7.909) 9.405 15.153 ( -1.576 1.030 -0.152) 1.889 15.549 ( 11.321 3.888 -8.852) 14.888 17.044 ( -12.379 -1.054 2.428) 12.659 19.016 ( 4.744 0.542 1.673) 5.059 19.339 ( -0.379 -2.513 1.222) 2.820 19.598 ( -0.143 3.178 -2.222) 3.880 19.662 ( 1.058 3.964 1.018) 4.227 20.857 ( 0.411 0.126 1.173) 1.249 21.368 ( -10.048 -0.445 -3.631) 10.693 22.404 ( 8.654 -1.737 4.275) 9.807 22.923 ( -2.175 -3.718 2.494) 4.978 ======================= Grid point 198 (83/144) ======================= q-point: ( 0.33 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.338 -0.347 -10.310) 10.321 1.345 ( 1.347 -1.155 -4.524) 4.860 1.706 ( 2.512 0.983 0.645) 2.774 1.803 ( 4.597 1.965 -0.753) 5.056 1.971 ( -2.612 -1.150 -1.053) 3.042 2.200 ( -7.396 -1.767 2.825) 8.112 2.422 ( -1.936 -5.395 -4.640) 7.375 2.675 ( -2.931 2.945 -1.925) 4.579 3.007 ( 0.063 -11.823 2.438) 12.072 3.288 ( -4.914 -1.575 10.075) 11.320 3.922 ( 0.013 -4.195 8.144) 9.161 4.240 ( -1.075 2.041 -10.466) 10.717 4.561 ( 11.409 -5.191 -4.649) 13.369 5.000 ( -6.734 -3.826 -2.727) 8.211 5.119 ( 6.839 7.998 3.842) 11.203 5.529 ( -7.224 -2.452 3.764) 8.506 5.821 ( -0.256 14.609 2.861) 14.889 6.202 ( -1.951 -0.865 8.473) 8.738 6.477 ( -4.124 -5.818 3.360) 7.883 7.110 ( 2.898 -2.480 -2.873) 4.775 7.556 ( -1.382 2.330 -3.336) 4.298 7.656 ( 9.677 5.525 -1.610) 11.259 7.877 ( 1.282 5.389 -2.764) 6.191 8.393 ( -5.467 7.325 -2.595) 9.502 10.003 ( 11.475 -4.614 4.788) 13.262 10.461 ( -8.955 -8.153 12.957) 17.735 11.686 ( -0.600 -1.685 1.577) 2.385 11.889 ( -0.962 0.436 -0.667) 1.249 12.668 ( -0.373 -4.220 0.011) 4.237 13.161 ( -3.684 3.360 -0.508) 5.012 14.782 ( 7.363 1.235 -7.414) 10.521 15.080 ( -5.667 1.200 -3.387) 6.710 15.863 ( 19.837 3.538 -4.385) 20.622 16.720 ( -19.944 0.415 0.156) 19.949 19.127 ( 5.989 0.097 1.906) 6.286 19.316 ( -2.171 -2.108 1.772) 3.507 19.607 ( 0.989 3.986 -1.842) 4.501 19.677 ( 0.289 4.081 0.068) 4.092 20.880 ( 2.274 -0.753 0.275) 2.411 21.159 ( -10.225 -0.403 -2.191) 10.464 22.586 ( 9.134 -2.297 3.331) 9.990 22.859 ( -4.473 -3.336 2.543) 6.132 ======================= Grid point 199 (84/144) ======================= q-point: (-0.50 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.000 2.374 -11.419) 11.663 1.357 ( 0.000 -0.318 -3.933) 3.946 1.747 ( 0.000 2.118 -0.189) 2.126 1.821 ( -0.000 0.279 2.151) 2.169 1.995 ( 0.000 4.676 3.595) 5.898 2.096 ( 0.000 -4.428 -1.387) 4.640 2.405 ( 0.000 -7.916 -5.477) 9.626 2.631 ( 0.000 7.224 -3.942) 8.230 3.011 ( 0.000 -10.204 3.648) 10.837 3.226 ( 0.000 -4.277 8.520) 9.534 3.914 ( 0.000 -6.235 8.355) 10.425 4.223 ( 0.000 2.087 -12.581) 12.753 4.750 ( 0.000 0.777 -6.711) 6.756 4.869 ( 0.000 -8.460 0.726) 8.491 5.236 ( 0.000 13.125 4.170) 13.772 5.410 ( 0.000 -6.977 3.259) 7.701 5.819 ( 0.000 15.135 3.140) 15.458 6.181 ( 0.000 -0.360 9.633) 9.639 6.440 ( 0.000 -6.906 2.881) 7.482 7.138 ( 0.000 -2.296 -1.398) 2.688 7.544 ( 0.000 1.954 -4.370) 4.787 7.732 ( 0.000 8.191 -7.623) 11.189 7.933 ( 0.000 2.701 2.485) 3.671 8.315 ( 0.000 8.321 -3.428) 8.999 10.217 ( 0.000 -8.292 9.616) 12.697 10.274 ( -0.000 -5.144 8.254) 9.726 11.684 ( 0.000 -1.832 2.950) 3.473 11.874 ( 0.000 1.687 -1.395) 2.189 12.665 ( 0.000 -4.056 0.348) 4.071 13.123 ( 0.000 2.304 -0.809) 2.441 14.910 ( -0.000 -0.445 -7.961) 7.974 14.969 ( 0.000 2.252 -3.683) 4.317 16.231 ( -0.000 2.296 0.778) 2.424 16.352 ( 0.000 2.193 -4.470) 4.979 19.213 ( 0.000 -1.029 1.832) 2.101 19.270 ( 0.000 -0.927 1.997) 2.202 19.622 ( 0.000 4.129 -1.381) 4.354 19.677 ( 0.000 4.350 -0.537) 4.383 20.931 ( 0.000 -1.881 -1.018) 2.139 21.025 ( 0.000 0.281 -0.741) 0.792 22.730 ( 0.000 -3.078 2.743) 4.123 22.761 ( 0.000 -2.637 2.819) 3.860 ======================= Grid point 203 (85/144) ======================= q-point: ( 0.00 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.000 -8.343 -8.955) 12.239 1.223 ( 0.000 -10.166 -14.644) 17.827 1.494 ( 0.000 2.288 1.888) 2.966 1.625 ( 0.000 -4.131 0.969) 4.243 2.058 ( 0.000 -5.542 -3.044) 6.323 2.485 ( 0.000 -2.954 3.422) 4.521 2.561 ( 0.000 -10.169 1.356) 10.259 2.684 ( 0.000 3.818 0.072) 3.819 2.914 ( 0.000 -13.612 4.452) 14.321 3.606 ( 0.000 -3.084 11.527) 11.933 3.821 ( 0.000 -1.393 4.020) 4.254 4.097 ( 0.000 -2.022 -8.536) 8.772 4.176 ( 0.000 -12.341 -5.634) 13.566 5.072 ( 0.000 -5.220 4.182) 6.689 5.084 ( 0.000 4.177 -3.835) 5.671 5.855 ( 0.000 3.064 6.297) 7.003 5.939 ( 0.000 16.584 6.292) 17.738 6.444 ( 0.000 9.489 -0.040) 9.490 6.634 ( 0.000 -12.895 3.304) 13.312 6.927 ( 0.000 3.816 -2.847) 4.761 7.343 ( 0.000 5.135 2.777) 5.838 7.606 ( 0.000 2.983 -3.933) 4.937 7.914 ( 0.000 -0.494 0.240) 0.549 8.514 ( 0.000 8.824 -3.621) 9.538 9.751 ( 0.000 -2.142 1.491) 2.610 10.826 ( 0.000 -11.074 18.562) 21.614 11.742 ( 0.000 -1.245 -0.153) 1.255 11.815 ( 0.000 -5.334 -0.813) 5.396 12.647 ( 0.000 -3.453 1.193) 3.654 13.315 ( 0.000 7.253 -7.887) 10.715 14.526 ( 0.000 4.485 -6.563) 7.949 15.190 ( 0.000 -0.048 1.177) 1.178 15.287 ( 0.000 3.410 -10.614) 11.148 17.222 ( 0.000 -0.243 3.954) 3.962 19.004 ( 0.000 1.091 1.854) 2.151 19.329 ( 0.000 -1.865 0.246) 1.881 19.584 ( 0.000 3.155 -2.678) 4.138 19.726 ( 0.000 3.701 2.257) 4.335 20.885 ( 0.000 0.135 1.559) 1.564 21.411 ( 0.000 1.255 -4.020) 4.211 22.385 ( 0.000 -1.174 5.818) 5.935 22.926 ( 0.000 -6.559 1.253) 6.677 ======================= Grid point 204 (86/144) ======================= q-point: ( 0.17 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -3.571 -6.537 -12.518) 14.567 1.241 ( 2.748 -7.909 -3.302) 9.000 1.532 ( 4.197 -0.055 -7.395) 8.503 1.705 ( 6.880 -0.974 3.975) 8.005 2.001 ( -4.475 -4.585 -1.889) 6.679 2.376 ( -7.701 -3.532 2.164) 8.744 2.511 ( -8.170 0.271 2.553) 8.564 2.631 ( -1.350 -8.648 -2.510) 9.105 2.961 ( 2.991 -7.969 5.121) 9.934 3.555 ( -4.389 -2.440 9.975) 11.167 3.917 ( 3.610 -7.696 -0.875) 8.545 4.101 ( -0.396 -1.280 -7.322) 7.444 4.220 ( 7.605 -7.423 -1.923) 10.799 5.022 ( -4.950 -5.056 1.244) 7.184 5.102 ( 2.575 2.983 -0.656) 3.995 5.794 ( -4.683 6.851 7.479) 11.171 6.007 ( 4.678 15.528 4.652) 16.871 6.372 ( -4.955 1.562 3.600) 6.321 6.640 ( -2.459 0.180 3.731) 4.472 6.900 ( 0.972 -3.467 -5.403) 6.493 7.487 ( 9.437 3.854 1.041) 10.246 7.593 ( 0.631 4.802 -1.558) 5.088 7.884 ( -2.402 2.056 -2.049) 3.767 8.498 ( -2.017 8.391 -3.095) 9.169 9.828 ( 7.770 -3.326 2.578) 8.836 10.771 ( -5.809 -11.119 17.164) 21.259 11.704 ( -1.831 -1.849 0.158) 2.607 11.856 ( 2.296 -3.262 -0.648) 4.041 12.644 ( -0.322 -3.542 1.187) 3.750 13.243 ( -6.190 4.615 -7.437) 10.720 14.569 ( 4.210 3.659 -6.125) 8.284 15.139 ( -4.280 0.877 -2.727) 5.150 15.455 ( 15.374 3.801 -6.283) 17.038 17.080 ( -13.780 -0.159 2.583) 14.021 19.061 ( 5.164 1.430 2.319) 5.839 19.333 ( 0.197 -1.909 0.678) 2.035 19.591 ( 0.815 3.779 -2.503) 4.605 19.729 ( 0.240 3.908 1.809) 4.314 20.880 ( -0.402 -0.140 1.301) 1.369 21.312 ( -8.824 1.314 -3.206) 9.480 22.464 ( 6.974 -2.025 4.760) 8.683 22.907 ( -1.960 -6.357 1.293) 6.777 ======================= Grid point 205 (87/144) ======================= q-point: ( 0.33 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 4.798 -0.515 -8.846) 10.077 1.301 ( 2.076 -4.254 1.138) 4.869 1.646 ( 7.073 0.414 -8.931) 11.401 1.833 ( 3.035 -0.439 2.057) 3.693 1.956 ( 2.497 1.434 0.964) 3.037 2.227 ( -7.470 -2.386 0.616) 7.866 2.344 ( -7.288 -3.373 1.786) 8.227 2.599 ( -2.238 -5.261 -3.896) 6.919 3.017 ( 3.266 -3.986 5.998) 7.908 3.430 ( -8.281 -2.759 7.639) 11.599 3.919 ( -1.014 -10.056 -2.628) 10.443 4.058 ( -3.223 -2.513 -9.160) 10.031 4.447 ( 12.250 -4.966 -0.287) 13.222 4.888 ( -8.209 -7.685 -1.179) 11.307 5.221 ( 9.785 4.186 3.084) 11.081 5.665 ( -8.961 8.200 6.843) 13.942 6.089 ( 3.390 20.083 5.194) 21.019 6.301 ( -2.132 -4.565 6.319) 8.081 6.557 ( -4.132 5.544 5.025) 8.548 6.965 ( 3.860 -7.330 -6.907) 10.785 7.517 ( -1.379 1.074 -2.809) 3.308 7.684 ( 0.871 7.142 -3.304) 7.917 7.910 ( 7.669 6.140 0.448) 9.834 8.424 ( -5.425 8.759 -2.906) 10.705 10.039 ( 13.364 -6.057 5.317) 15.606 10.596 ( -11.945 -10.424 13.144) 20.594 11.699 ( 1.206 -1.383 1.678) 2.487 11.875 ( -0.345 -0.951 -0.629) 1.191 12.639 ( -0.101 -3.669 1.127) 3.840 13.127 ( -4.806 0.584 -6.167) 7.840 14.680 ( 6.793 1.706 -5.610) 8.974 15.030 ( -6.716 1.250 -4.005) 7.919 15.831 ( 22.153 4.536 -3.940) 22.953 16.728 ( -21.286 0.954 0.071) 21.307 19.171 ( 5.399 1.068 2.484) 6.039 19.324 ( -1.343 -1.554 1.367) 2.467 19.622 ( 2.342 5.014 -1.545) 5.745 19.728 ( -0.555 4.536 0.716) 4.625 20.882 ( 1.021 -0.513 0.659) 1.319 21.126 ( -8.962 1.183 -1.955) 9.249 22.613 ( 7.650 -3.644 3.164) 9.045 22.849 ( -3.957 -5.802 1.481) 7.178 ======================= Grid point 206 (88/144) ======================= q-point: (-0.50 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 1.487 -4.181) 4.438 1.307 ( 0.000 -1.493 -0.123) 1.498 1.780 ( 0.000 -2.941 -5.620) 6.343 1.786 ( 0.000 4.619 -1.867) 4.982 2.066 ( 0.000 2.985 -0.156) 2.989 2.100 ( -0.000 -0.174 4.447) 4.450 2.270 ( 0.000 -7.735 1.187) 7.826 2.566 ( 0.000 -1.214 -5.550) 5.681 3.074 ( 0.000 -0.757 7.906) 7.942 3.309 ( 0.000 -4.923 5.057) 7.057 3.912 ( 0.000 -10.691 -0.390) 10.698 4.016 ( 0.000 -1.221 -11.037) 11.104 4.614 ( 0.000 -5.769 -3.013) 6.508 4.758 ( 0.000 -10.360 -0.823) 10.393 5.440 ( 0.000 -0.599 6.104) 6.134 5.461 ( -0.000 14.291 4.922) 15.115 6.125 ( 0.000 23.579 6.693) 24.511 6.282 ( 0.000 -6.667 5.927) 8.921 6.514 ( 0.000 4.718 5.978) 7.615 7.007 ( 0.000 -7.741 -6.879) 10.355 7.503 ( 0.000 1.843 -2.339) 2.978 7.667 ( 0.000 7.074 -7.975) 10.660 8.035 ( 0.000 5.996 3.839) 7.119 8.341 ( -0.000 10.117 -3.954) 10.862 10.295 ( 0.000 -10.339 9.978) 14.369 10.354 ( 0.000 -6.953 7.637) 10.328 11.722 ( 0.000 -1.431 3.036) 3.356 11.863 ( 0.000 0.384 -1.052) 1.120 12.639 ( 0.000 -3.671 1.060) 3.821 13.078 ( 0.000 -1.065 -5.412) 5.516 14.784 ( 0.000 -0.507 -5.475) 5.499 14.926 ( 0.000 2.605 -4.338) 5.060 16.272 ( -0.000 4.101 -0.144) 4.103 16.296 ( 0.000 2.118 -3.964) 4.494 19.243 ( 0.000 -0.021 2.258) 2.258 19.292 ( 0.000 -0.672 1.601) 1.736 19.657 ( 0.000 5.543 -0.141) 5.544 19.714 ( -0.000 5.012 -0.520) 5.039 20.910 ( 0.000 -0.671 0.113) 0.681 21.016 ( 0.000 1.074 -1.198) 1.609 22.733 ( 0.000 -5.074 2.211) 5.535 22.766 ( -0.000 -4.825 1.882) 5.179 ======================= Grid point 210 (89/144) ======================= q-point: ( 0.00 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 0.000 -11.364 -9.316) 14.695 0.887 ( 0.000 -13.972 -8.421) 16.314 1.549 ( 0.000 -1.084 2.266) 2.512 1.593 ( 0.000 -13.269 2.388) 13.482 1.915 ( 0.000 -6.564 -5.043) 8.278 2.435 ( 0.000 -14.921 -0.825) 14.944 2.485 ( 0.000 -6.547 2.062) 6.864 2.735 ( 0.000 6.923 -0.027) 6.923 2.900 ( 0.000 -10.754 6.382) 12.505 3.661 ( 0.000 -14.243 -6.528) 15.667 3.726 ( 0.000 -5.171 6.526) 8.327 3.977 ( 0.000 -11.760 -2.886) 12.109 4.161 ( 0.000 14.205 2.600) 14.441 5.037 ( 0.000 2.567 -4.068) 4.810 5.134 ( 0.000 -1.667 5.443) 5.692 5.958 ( 0.000 0.765 2.764) 2.868 6.215 ( 0.000 17.862 5.038) 18.559 6.477 ( 0.000 8.355 -4.348) 9.418 6.553 ( 0.000 -13.561 1.738) 13.672 6.992 ( 0.000 8.794 1.953) 9.008 7.412 ( 0.000 1.519 1.219) 1.948 7.574 ( 0.000 2.707 -2.610) 3.761 7.909 ( 0.000 0.017 -0.121) 0.122 8.546 ( 0.000 9.901 -2.863) 10.306 9.757 ( 0.000 -3.493 1.924) 3.988 11.077 ( 0.000 -8.830 22.136) 23.832 11.727 ( 0.000 -1.485 0.038) 1.485 11.749 ( 0.000 -5.500 -0.540) 5.526 12.658 ( 0.000 -2.746 3.586) 4.517 13.132 ( 0.000 4.844 -20.557) 21.120 14.483 ( 0.000 4.990 -3.690) 6.206 15.142 ( 0.000 0.318 -7.909) 7.915 15.198 ( 0.000 -0.810 0.358) 0.885 17.307 ( 0.000 2.438 4.551) 5.163 19.045 ( 0.000 1.262 1.313) 1.822 19.317 ( 0.000 -1.052 0.178) 1.067 19.567 ( 0.000 2.707 -2.676) 3.807 19.790 ( 0.000 2.834 1.400) 3.161 20.905 ( 0.000 -0.286 0.700) 0.756 21.375 ( 0.000 3.206 -2.421) 4.017 22.484 ( 0.000 0.509 5.787) 5.810 22.864 ( 0.000 -8.831 0.328) 8.837 ======================= Grid point 211 (90/144) ======================= q-point: ( 0.17 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 3.450 -8.338 -3.733) 9.765 1.035 ( 11.527 -11.004 -7.622) 17.665 1.467 ( -2.207 -2.691 -0.237) 3.488 1.715 ( 6.410 -10.251 -0.514) 12.101 1.929 ( 2.666 -2.216 -0.247) 3.475 2.344 ( -5.738 -10.949 0.412) 12.368 2.456 ( -7.662 -6.063 -0.562) 9.787 2.612 ( -4.792 3.380 1.213) 5.989 2.988 ( 4.875 -6.502 4.989) 9.535 3.615 ( -4.342 -9.562 0.623) 10.520 3.706 ( -2.368 -9.180 -4.519) 10.503 3.963 ( -1.303 -8.582 -2.181) 8.950 4.283 ( 9.621 8.377 3.216) 13.156 5.032 ( -7.067 -0.066 2.204) 7.403 5.123 ( 6.217 1.660 0.704) 6.473 5.949 ( -1.747 2.604 3.853) 4.968 6.229 ( 1.452 13.238 4.199) 13.963 6.449 ( -1.165 6.861 1.945) 7.226 6.611 ( 4.115 -6.741 -4.320) 9.002 6.885 ( -7.249 6.896 1.630) 10.137 7.496 ( 1.254 0.573 -0.943) 1.670 7.661 ( 10.553 7.431 1.172) 12.960 7.869 ( -2.535 1.816 -1.528) 3.473 8.533 ( -1.776 9.601 -2.731) 10.139 9.837 ( 8.094 -4.812 2.568) 9.760 10.979 ( -10.032 -10.235 18.726) 23.581 11.688 ( -0.617 -1.954 0.105) 2.051 11.811 ( 3.172 -3.736 -0.533) 4.930 12.652 ( -0.536 -3.024 3.629) 4.754 13.059 ( -5.945 1.349 -17.210) 18.258 14.527 ( 4.119 4.151 -3.052) 6.597 15.075 ( -4.674 -0.711 -4.442) 6.487 15.409 ( 17.771 3.323 -2.982) 18.323 17.130 ( -16.467 0.675 2.695) 16.700 19.122 ( 6.268 2.935 2.201) 7.263 19.331 ( 1.135 -0.670 0.737) 1.510 19.582 ( 1.847 3.479 -2.630) 4.736 19.791 ( -0.022 3.191 1.182) 3.403 20.894 ( -0.799 -0.392 0.624) 1.087 21.288 ( -7.927 3.325 -1.979) 8.821 22.528 ( 4.024 -1.762 4.447) 6.251 22.847 ( -1.675 -8.622 0.371) 8.791 ======================= Grid point 212 (91/144) ======================= q-point: ( 0.33 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 13.217 -1.200 4.239) 13.932 1.264 ( 9.455 -7.744 -0.129) 12.222 1.492 ( 4.886 0.983 -7.769) 9.230 1.767 ( -1.849 -8.864 -3.459) 9.693 2.041 ( 7.322 1.407 4.176) 8.545 2.225 ( -5.401 -1.368 2.531) 6.119 2.323 ( -3.473 -5.467 -1.331) 6.612 2.525 ( -5.823 1.747 -0.826) 6.136 3.074 ( 5.278 -3.929 3.692) 7.545 3.473 ( -10.108 -7.065 2.921) 12.674 3.698 ( 2.183 -10.982 -7.096) 13.256 3.909 ( -4.242 -4.469 -3.681) 7.177 4.452 ( 7.518 0.557 1.759) 7.741 4.836 ( -11.213 -3.241 1.017) 11.716 5.334 ( 13.807 5.604 3.846) 15.389 5.849 ( -8.818 6.380 4.708) 11.859 6.281 ( 3.540 1.786 5.350) 6.659 6.442 ( 0.139 14.448 4.072) 15.011 6.667 ( 0.622 3.793 -3.168) 4.981 6.787 ( -1.817 -2.582 -2.480) 4.015 7.494 ( 0.254 2.055 -1.279) 2.434 7.690 ( -5.665 6.208 -2.658) 8.815 8.004 ( 12.937 8.253 2.020) 15.478 8.463 ( -5.416 10.109 -3.059) 11.870 10.059 ( 14.249 -7.780 4.202) 16.770 10.710 ( -16.545 -11.576 11.643) 23.308 11.716 ( 2.943 -1.065 1.623) 3.526 11.849 ( 0.477 -2.059 -0.747) 2.241 12.642 ( -0.372 -3.636 3.658) 5.171 12.956 ( -3.945 -2.706 -11.936) 12.859 14.630 ( 6.200 1.913 -2.123) 6.827 14.961 ( -6.796 -0.366 -4.333) 8.068 15.820 ( 23.204 5.371 -2.578) 23.957 16.738 ( -22.510 0.494 0.103) 22.516 19.231 ( 4.506 2.689 2.222) 5.698 19.340 ( -0.618 0.242 1.430) 1.577 19.648 ( 4.562 5.465 -1.408) 7.256 19.783 ( -1.078 4.248 0.559) 4.418 20.892 ( 0.991 0.061 0.616) 1.169 21.115 ( -8.664 2.990 -1.493) 9.286 22.621 ( 5.149 -5.173 2.432) 7.693 22.798 ( -3.311 -8.114 0.530) 8.780 ======================= Grid point 213 (92/144) ======================= q-point: (-0.50 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.000 -0.967 7.763) 7.823 1.326 ( -0.000 -3.544 4.320) 5.588 1.623 ( 0.000 -5.130 -6.699) 8.438 1.680 ( 0.000 -2.039 -10.951) 11.139 2.124 ( 0.000 -0.912 6.585) 6.648 2.197 ( 0.000 2.665 4.372) 5.120 2.284 ( 0.000 1.598 1.574) 2.243 2.436 ( 0.000 -3.616 -6.842) 7.739 3.203 ( 0.000 -0.131 5.534) 5.535 3.289 ( -0.000 -7.843 0.337) 7.851 3.748 ( 0.000 -10.710 -2.665) 11.037 3.839 ( 0.000 -2.322 -7.333) 7.692 4.573 ( 0.000 -3.122 2.575) 4.047 4.667 ( -0.000 -4.004 -1.546) 4.292 5.582 ( 0.000 4.151 7.002) 8.140 5.653 ( 0.000 9.753 2.910) 10.178 6.326 ( 0.000 -5.699 7.415) 9.352 6.444 ( 0.000 21.687 2.892) 21.879 6.658 ( 0.000 8.680 2.073) 8.924 6.786 ( 0.000 -8.649 -7.990) 11.775 7.511 ( 0.000 3.567 0.537) 3.607 7.609 ( -0.000 6.324 -5.848) 8.614 8.176 ( 0.000 7.985 4.911) 9.374 8.369 ( -0.000 11.855 -5.388) 13.022 10.352 ( -0.000 -11.837 8.293) 14.453 10.393 ( 0.000 -9.194 5.278) 10.601 11.761 ( 0.000 -1.208 2.964) 3.201 11.842 ( 0.000 -0.625 -1.406) 1.539 12.639 ( 0.000 -3.955 3.647) 5.380 12.917 ( 0.000 -4.041 -9.834) 10.632 14.727 ( 0.000 -0.391 -0.432) 0.582 14.857 ( 0.000 1.069 -5.788) 5.886 16.270 ( -0.000 2.553 -1.425) 2.924 16.296 ( 0.000 3.898 -1.629) 4.224 19.291 ( 0.000 1.599 2.293) 2.795 19.316 ( 0.000 0.886 1.055) 1.378 19.719 ( 0.000 5.973 0.658) 6.009 19.752 ( -0.000 5.273 -0.884) 5.347 20.926 ( 0.000 1.193 1.505) 1.921 21.002 ( -0.000 2.015 -2.194) 2.979 22.708 ( 0.000 -7.172 1.651) 7.360 22.730 ( -0.000 -7.165 0.617) 7.192 ======================= Grid point 217 (93/144) ======================= q-point: ( 0.00 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 -13.927 0.000) 13.927 0.683 ( 0.000 -16.007 0.000) 16.007 1.386 ( 0.000 -27.921 0.000) 27.921 1.513 ( 0.000 -11.382 0.000) 11.382 1.841 ( 0.000 -1.466 0.000) 1.466 2.295 ( 0.000 -9.613 0.000) 9.613 2.443 ( 0.000 -5.563 0.000) 5.563 2.809 ( 0.000 7.188 -0.000) 7.188 2.870 ( 0.000 -8.914 0.000) 8.914 3.465 ( 0.000 -12.470 0.000) 12.470 3.729 ( 0.000 -5.474 0.000) 5.474 3.845 ( 0.000 -10.620 0.000) 10.620 4.337 ( 0.000 15.331 -0.000) 15.331 5.026 ( 0.000 3.688 -0.000) 3.688 5.184 ( 0.000 0.647 -0.000) 0.647 5.975 ( 0.000 -0.786 0.000) 0.786 6.370 ( 0.000 -10.578 0.000) 10.578 6.488 ( 0.000 12.000 -0.000) 12.000 6.505 ( 0.000 6.450 -0.000) 6.450 7.111 ( 0.000 10.436 -0.000) 10.436 7.415 ( 0.000 -2.681 0.000) 2.681 7.576 ( 0.000 2.240 -0.000) 2.240 7.918 ( 0.000 1.807 -0.000) 1.807 8.623 ( 0.000 11.792 -0.000) 11.792 9.731 ( 0.000 -6.025 0.000) 6.025 11.325 ( 0.000 0.912 -0.000) 0.912 11.693 ( 0.000 -5.025 0.000) 5.025 11.715 ( 0.000 -1.590 0.000) 1.590 12.744 ( 0.000 -3.027 0.000) 3.027 12.779 ( 0.000 -3.489 0.000) 3.489 14.497 ( 0.000 4.661 -0.000) 4.661 15.048 ( 0.000 -2.362 0.000) 2.362 15.190 ( 0.000 -1.268 0.000) 1.268 17.398 ( 0.000 4.829 -0.000) 4.829 19.067 ( 0.000 0.937 -0.000) 0.937 19.314 ( 0.000 -0.202 0.000) 0.202 19.554 ( 0.000 1.111 -0.000) 1.111 19.826 ( 0.000 1.830 -0.000) 1.830 20.906 ( 0.000 -0.416 0.000) 0.416 21.394 ( 0.000 5.216 -0.000) 5.216 22.566 ( 0.000 2.638 -0.000) 2.638 22.772 ( 0.000 -10.156 0.000) 10.156 ======================= Grid point 218 (94/144) ======================= q-point: ( 0.17 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 14.739 -6.605 0.000) 16.151 0.831 ( 13.567 -12.114 0.000) 18.188 1.389 ( -0.910 -16.535 0.000) 16.560 1.550 ( 6.405 -11.546 0.000) 13.203 1.889 ( 3.944 -11.212 0.000) 11.885 2.261 ( -0.688 -1.019 0.000) 1.230 2.441 ( -6.634 -0.284 0.000) 6.640 2.649 ( -3.712 1.493 -0.000) 4.001 2.985 ( 4.585 -2.435 0.000) 5.192 3.477 ( 0.906 -9.248 0.000) 9.292 3.622 ( -9.299 -7.474 0.000) 11.931 3.864 ( 0.597 -9.533 0.000) 9.551 4.412 ( 5.156 11.391 -0.000) 12.503 5.071 ( -9.177 1.741 -0.000) 9.341 5.152 ( 10.702 3.508 -0.000) 11.263 5.982 ( -0.019 -1.036 0.000) 1.036 6.392 ( 0.975 -0.180 0.000) 0.992 6.441 ( -0.552 -5.305 0.000) 5.334 6.582 ( 4.292 16.313 -0.000) 16.868 6.994 ( -7.358 10.299 -0.000) 12.658 7.493 ( 1.000 0.424 -0.000) 1.086 7.751 ( 15.771 7.967 -0.000) 17.670 7.875 ( -2.162 2.768 -0.000) 3.512 8.607 ( -1.944 11.577 -0.000) 11.739 9.804 ( 7.385 -7.446 0.000) 10.487 11.123 ( -18.826 -7.294 0.000) 20.190 11.671 ( 1.046 -1.680 0.000) 1.979 11.768 ( 3.109 -3.972 0.000) 5.044 12.730 ( -1.341 -2.947 0.000) 3.238 12.753 ( -1.864 -4.731 0.000) 5.085 14.541 ( 3.790 3.902 -0.000) 5.440 15.008 ( -3.996 -2.210 0.000) 4.567 15.419 ( 20.247 4.786 -0.000) 20.805 17.162 ( -20.185 -0.845 0.000) 20.202 19.186 ( 7.685 5.426 -0.000) 9.408 19.344 ( 2.798 1.166 -0.000) 3.031 19.577 ( 3.144 2.149 -0.000) 3.808 19.828 ( 0.176 2.207 -0.000) 2.214 20.895 ( -0.684 -0.299 0.000) 0.747 21.313 ( -7.583 5.417 -0.000) 9.319 22.557 ( -0.058 -2.588 0.000) 2.588 22.759 ( -1.485 -9.933 0.000) 10.044 ======================= Grid point 219 (95/144) ======================= q-point: ( 0.33 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 15.682 -5.446 0.000) 16.601 1.160 ( 17.220 -5.876 0.000) 18.195 1.391 ( 1.163 -6.600 0.000) 6.702 1.636 ( -1.193 -8.236 0.000) 8.322 1.995 ( 7.958 -15.821 0.000) 17.710 2.277 ( -0.668 2.468 -0.000) 2.556 2.298 ( -1.334 6.032 -0.000) 6.177 2.567 ( -9.619 5.735 -0.000) 11.199 3.060 ( 5.278 -2.580 0.000) 5.874 3.418 ( -10.566 -8.561 0.000) 13.599 3.549 ( 6.480 -6.884 0.000) 9.454 3.830 ( -4.348 -6.385 0.000) 7.725 4.496 ( 4.277 5.206 -0.000) 6.737 4.840 ( -12.674 0.991 -0.000) 12.713 5.428 ( 15.695 5.277 -0.000) 16.559 5.926 ( -6.693 1.420 -0.000) 6.842 6.402 ( 1.484 3.587 -0.000) 3.882 6.461 ( 0.738 -10.601 0.000) 10.627 6.666 ( 4.520 16.156 -0.000) 16.776 6.866 ( -5.870 11.873 -0.000) 13.245 7.511 ( 2.093 3.082 -0.000) 3.725 7.726 ( -7.258 5.817 -0.000) 9.302 8.128 ( 15.757 12.228 -0.000) 19.945 8.534 ( -5.745 11.871 -0.000) 13.188 10.010 ( 13.565 -10.794 0.000) 17.335 10.710 ( -21.549 -14.496 0.000) 25.971 11.728 ( 3.981 -0.551 0.000) 4.019 11.814 ( 1.108 -2.879 0.000) 3.085 12.703 ( -0.960 -3.870 0.000) 3.988 12.722 ( -1.388 -4.987 0.000) 5.176 14.634 ( 5.727 1.767 -0.000) 5.993 14.901 ( -6.708 -1.655 0.000) 6.909 15.856 ( 23.046 7.045 -0.000) 24.099 16.734 ( -22.555 -1.943 0.000) 22.639 19.285 ( 3.335 3.576 -0.000) 4.890 19.373 ( -0.496 2.674 -0.000) 2.719 19.687 ( 6.711 5.944 -0.000) 8.965 19.826 ( -0.696 3.425 -0.000) 3.495 20.903 ( 2.065 1.193 -0.000) 2.385 21.141 ( -9.110 5.234 -0.000) 10.506 22.583 ( 2.692 -7.711 0.000) 8.167 22.714 ( -2.971 -9.809 0.000) 10.249 ======================= Grid point 220 (96/144) ======================= q-point: (-0.50 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -1.609 -7.261 0.000) 7.437 1.297 ( 1.609 -7.261 -0.000) 7.437 1.494 ( -9.866 -6.168 0.000) 11.635 1.494 ( 9.866 -6.168 0.000) 11.635 2.227 ( -6.677 -2.400 0.000) 7.095 2.227 ( 6.677 -2.400 -0.000) 7.095 2.328 ( -6.615 4.859 -0.000) 8.208 2.328 ( 6.615 4.859 -0.000) 8.208 3.216 ( -9.813 -5.423 0.000) 11.212 3.216 ( 9.813 -5.423 0.000) 11.212 3.702 ( -3.859 -4.673 0.000) 6.061 3.702 ( 3.859 -4.673 -0.000) 6.061 4.621 ( -6.357 2.068 0.000) 6.685 4.621 ( 6.357 2.068 -0.000) 6.685 5.722 ( -11.103 4.417 0.000) 11.949 5.722 ( 11.103 4.417 -0.000) 11.949 6.445 ( -0.137 -3.796 0.000) 3.798 6.445 ( 0.137 -3.796 -0.000) 3.798 6.760 ( -3.910 12.988 -0.000) 13.563 6.760 ( 3.910 12.988 -0.000) 13.563 7.591 ( -3.129 5.569 0.000) 6.387 7.591 ( 3.129 5.569 -0.000) 6.387 8.380 ( -4.382 12.779 0.000) 13.509 8.380 ( 4.382 12.779 -0.000) 13.509 10.321 ( -17.290 -14.121 0.000) 22.324 10.321 ( 17.290 -14.121 0.000) 22.324 11.799 ( -0.871 -1.165 0.000) 1.454 11.799 ( 0.871 -1.165 -0.000) 1.454 12.701 ( -0.016 -4.728 0.000) 4.728 12.701 ( 0.016 -4.728 -0.000) 4.728 14.762 ( -3.315 -0.290 0.000) 3.328 14.762 ( 3.315 -0.290 -0.000) 3.328 16.298 ( -21.984 2.716 0.000) 22.151 16.298 ( 21.984 2.716 -0.000) 22.151 19.340 ( -2.039 2.560 0.000) 3.272 19.340 ( 2.039 2.560 -0.000) 3.272 19.789 ( -2.790 5.408 -0.000) 6.085 19.789 ( 2.790 5.408 -0.000) 6.085 20.985 ( -4.085 3.726 0.000) 5.529 20.985 ( 4.085 3.726 -0.000) 5.529 22.648 ( -3.147 -9.404 0.000) 9.917 22.648 ( 3.147 -9.404 0.000) 9.917 ======================= Grid point 252 (97/144) ======================= q-point: ( 0.00 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.000 0.000 1.116) 1.116 1.514 ( 0.000 0.000 9.377) 9.377 1.828 ( 0.000 -0.000 -6.508) 6.508 1.898 ( 0.000 -0.000 -9.936) 9.936 2.212 ( 0.000 0.000 9.244) 9.244 2.295 ( 0.000 0.000 11.398) 11.398 2.358 ( 0.000 -0.000 -0.776) 0.776 2.568 ( 0.000 0.000 1.211) 1.211 3.203 ( 0.000 0.000 11.990) 11.990 3.429 ( 0.000 -0.000 -3.062) 3.062 3.658 ( 0.000 -0.000 -5.165) 5.165 4.229 ( 0.000 0.000 8.389) 8.389 4.288 ( 0.000 0.000 1.003) 1.003 4.779 ( 0.000 -0.000 -10.941) 10.941 5.107 ( 0.000 0.000 24.341) 24.341 5.110 ( 0.000 -0.000 -6.923) 6.923 6.224 ( 0.000 -0.000 -10.855) 10.855 6.356 ( 0.000 0.000 13.776) 13.776 6.888 ( 0.000 -0.000 -15.368) 15.368 7.097 ( 0.000 -0.000 -0.402) 0.402 7.435 ( 0.000 -0.000 -8.946) 8.946 7.622 ( 0.000 0.000 6.211) 6.211 7.630 ( 0.000 -0.000 -3.798) 3.798 8.384 ( 0.000 -0.000 -2.481) 2.481 9.820 ( 0.000 -0.000 -0.779) 0.779 10.228 ( 0.000 0.000 14.726) 14.726 11.709 ( 0.000 0.000 1.788) 1.788 11.892 ( 0.000 0.000 3.811) 3.811 12.844 ( 0.000 0.000 7.668) 7.668 13.061 ( 0.000 -0.000 -8.015) 8.015 14.875 ( 0.000 -0.000 -7.844) 7.844 15.047 ( 0.000 0.000 2.778) 2.778 15.813 ( 0.000 -0.000 -12.434) 12.434 17.055 ( 0.000 0.000 6.064) 6.064 18.954 ( 0.000 -0.000 -0.805) 0.805 19.318 ( 0.000 0.000 4.418) 4.418 19.540 ( 0.000 -0.000 -3.510) 3.510 19.709 ( 0.000 -0.000 -4.420) 4.420 20.831 ( 0.000 -0.000 -1.504) 1.504 21.683 ( 0.000 -0.000 -3.640) 3.640 22.156 ( 0.000 0.000 5.081) 5.081 22.831 ( 0.000 0.000 5.746) 5.746 ======================= Grid point 253 (98/144) ======================= q-point: ( 0.17 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 6.782 -0.000 -0.209) 6.786 1.519 ( 0.414 0.000 6.487) 6.500 1.800 ( -2.138 -0.000 -4.930) 5.373 1.849 ( -3.889 -0.000 -8.220) 9.094 2.210 ( -0.473 0.000 6.378) 6.395 2.268 ( -2.001 0.000 4.837) 5.234 2.429 ( 4.377 0.000 3.473) 5.587 2.497 ( -6.181 0.000 1.252) 6.306 3.233 ( 2.977 0.000 10.340) 10.760 3.389 ( -1.924 -0.000 -3.339) 3.853 3.806 ( 11.793 -0.000 -3.358) 12.262 4.219 ( -5.916 0.000 0.126) 5.918 4.249 ( 1.991 0.000 8.631) 8.858 4.695 ( -6.693 -0.000 -3.702) 7.649 5.089 ( -1.886 -0.000 -6.337) 6.612 5.132 ( 0.841 0.000 16.715) 16.736 6.297 ( 6.707 -0.000 -11.734) 13.516 6.364 ( 0.542 0.000 12.087) 12.099 6.866 ( -1.981 -0.000 -14.139) 14.277 6.944 ( -11.525 -0.000 -1.194) 11.587 7.523 ( 5.056 -0.000 -4.240) 6.598 7.615 ( -0.544 0.000 4.006) 4.042 7.716 ( 8.691 -0.000 -5.693) 10.390 8.368 ( -1.974 -0.000 -1.874) 2.722 9.844 ( 2.529 0.000 0.718) 2.629 10.206 ( -2.299 0.000 14.491) 14.672 11.713 ( 0.452 0.000 1.174) 1.258 11.871 ( -2.066 0.000 2.959) 3.609 12.840 ( -0.376 0.000 6.898) 6.908 13.016 ( -4.197 -0.000 -6.465) 7.708 14.923 ( 4.438 -0.000 -7.631) 8.828 15.075 ( 2.500 0.000 2.574) 3.588 15.869 ( 5.914 -0.000 -11.574) 12.998 16.953 ( -10.134 0.000 4.951) 11.279 18.995 ( 3.899 -0.000 -0.459) 3.926 19.305 ( -1.369 0.000 4.121) 4.343 19.557 ( 1.714 -0.000 -3.408) 3.815 19.704 ( -0.506 -0.000 -4.219) 4.249 20.852 ( 2.265 -0.000 -1.482) 2.707 21.539 ( -11.866 -0.000 -2.899) 12.215 22.280 ( 9.916 0.000 4.424) 10.858 22.811 ( -2.086 0.000 5.605) 5.980 ======================= Grid point 254 (99/144) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 7.911 -0.000 -2.902) 8.426 1.521 ( -0.559 -0.000 -0.373) 0.672 1.781 ( 0.532 -0.000 -0.815) 0.973 1.789 ( -1.604 -0.000 -4.377) 4.661 2.179 ( -2.760 -0.000 -1.415) 3.102 2.217 ( -3.261 0.000 1.745) 3.699 2.392 ( -2.904 0.000 3.092) 4.242 2.456 ( -1.883 0.000 1.539) 2.432 3.303 ( 3.476 0.000 6.750) 7.593 3.369 ( -0.587 -0.000 -0.672) 0.892 4.024 ( 8.789 -0.000 -1.181) 8.868 4.125 ( -2.396 0.000 0.528) 2.454 4.309 ( 4.396 0.000 7.150) 8.394 4.560 ( -6.975 0.000 0.751) 7.016 5.053 ( -1.233 -0.000 -3.394) 3.611 5.112 ( -2.566 0.000 9.371) 9.716 6.375 ( 0.990 0.000 6.458) 6.533 6.425 ( 4.250 -0.000 -12.965) 13.644 6.753 ( -5.929 0.000 0.832) 5.987 6.820 ( -2.809 -0.000 -10.952) 11.307 7.590 ( 2.030 -0.000 -2.350) 3.105 7.608 ( -0.057 0.000 0.410) 0.414 7.923 ( 11.474 -0.000 -4.914) 12.482 8.293 ( -6.034 -0.000 -1.591) 6.240 9.920 ( 5.120 0.000 4.770) 6.998 10.138 ( -4.621 0.000 13.108) 13.899 11.729 ( 1.298 0.000 0.022) 1.298 11.820 ( -2.955 0.000 1.127) 3.163 12.836 ( 0.193 0.000 4.741) 4.745 12.924 ( -4.515 -0.000 -2.753) 5.289 15.023 ( 5.214 -0.000 -6.332) 8.203 15.118 ( 1.144 0.000 0.492) 1.245 16.050 ( 12.673 -0.000 -8.062) 15.020 16.686 ( -16.456 0.000 1.896) 16.565 19.090 ( 5.398 0.000 0.519) 5.423 19.263 ( -2.933 0.000 3.247) 4.375 19.601 ( 2.587 -0.000 -3.287) 4.183 19.687 ( -1.374 -0.000 -3.776) 4.018 20.927 ( 5.622 -0.000 -1.651) 5.859 21.294 ( -12.467 -0.000 -2.568) 12.728 22.475 ( 9.459 0.000 4.474) 10.464 22.748 ( -4.421 0.000 5.260) 6.872 ======================= Grid point 255 (100/144) ======================= q-point: (-0.50 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -3.407 -0.000 -4.187) 5.398 1.486 ( 3.407 -0.000 -4.187) 5.398 1.789 ( -0.249 0.000 0.432) 0.498 1.789 ( 0.249 0.000 0.432) 0.498 2.156 ( -0.163 0.000 -3.242) 3.246 2.156 ( 0.163 0.000 -3.242) 3.246 2.397 ( -1.324 0.000 1.993) 2.393 2.397 ( 1.324 0.000 1.993) 2.393 3.351 ( -1.129 0.000 3.055) 3.257 3.351 ( 1.129 0.000 3.055) 3.257 4.111 ( -0.024 0.000 1.643) 1.643 4.111 ( 0.024 0.000 1.643) 1.643 4.424 ( -6.894 0.000 2.478) 7.325 4.424 ( 6.894 0.000 2.478) 7.325 5.060 ( -0.987 0.000 2.840) 3.007 5.060 ( 0.987 0.000 2.840) 3.007 6.417 ( -0.460 0.000 -3.039) 3.073 6.417 ( 0.460 0.000 -3.039) 3.073 6.753 ( -2.893 -0.000 -5.733) 6.421 6.753 ( 2.893 -0.000 -5.733) 6.421 7.609 ( -0.003 0.000 -1.611) 1.611 7.609 ( 0.003 0.000 -1.611) 1.611 8.135 ( -5.526 0.000 -2.817) 6.202 8.135 ( 5.526 0.000 -2.817) 6.202 10.032 ( -5.460 0.000 9.635) 11.075 10.032 ( 5.460 0.000 9.635) 11.075 11.765 ( -0.575 0.000 -0.184) 0.604 11.765 ( 0.575 0.000 -0.184) 0.604 12.857 ( -0.363 0.000 1.391) 1.438 12.857 ( 0.363 0.000 1.391) 1.438 15.104 ( -1.767 -0.000 -3.320) 3.761 15.104 ( 1.767 -0.000 -3.320) 3.761 16.348 ( -15.383 -0.000 -2.733) 15.624 16.348 ( 15.383 -0.000 -2.733) 15.624 19.190 ( -4.431 0.000 1.915) 4.827 19.190 ( 4.431 0.000 1.915) 4.827 19.650 ( -2.312 -0.000 -3.401) 4.112 19.650 ( 2.312 -0.000 -3.401) 4.112 21.075 ( -9.378 -0.000 -2.142) 9.620 21.075 ( 9.378 -0.000 -2.142) 9.620 22.637 ( -6.981 0.000 4.849) 8.500 22.637 ( 6.981 0.000 4.849) 8.500 ======================= Grid point 259 (101/144) ======================= q-point: ( 0.00 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 0.076 3.654) 3.655 1.642 ( 0.000 1.244 3.580) 3.789 1.699 ( 0.000 -1.615 -7.465) 7.638 1.743 ( 0.000 -0.778 -6.526) 6.573 2.295 ( 0.000 -5.826 0.884) 5.893 2.379 ( 0.000 2.470 3.951) 4.659 2.475 ( 0.000 1.906 7.892) 8.119 2.577 ( 0.000 3.134 -2.384) 3.938 3.348 ( 0.000 -8.945 8.093) 12.063 3.391 ( 0.000 -5.451 3.919) 6.714 3.579 ( 0.000 0.754 -1.929) 2.071 4.364 ( 0.000 1.786 5.418) 5.705 4.429 ( 0.000 7.119 8.993) 11.469 4.623 ( 0.000 2.758 -8.000) 8.462 5.043 ( 0.000 3.977 -3.025) 4.997 5.495 ( 0.000 2.345 18.052) 18.204 5.996 ( 0.000 -8.050 -9.273) 12.280 6.567 ( 0.000 -11.230 -12.800) 17.028 6.610 ( 0.000 4.840 11.068) 12.080 7.079 ( 0.000 1.754 -3.637) 4.038 7.270 ( 0.000 -4.103 -6.356) 7.565 7.577 ( 0.000 4.047 -4.561) 6.097 7.750 ( 0.000 3.638 5.384) 6.498 8.362 ( 0.000 3.109 -2.225) 3.823 9.802 ( 0.000 -0.763 -0.899) 1.179 10.488 ( 0.000 -1.657 16.060) 16.146 11.738 ( 0.000 0.478 1.180) 1.273 11.941 ( 0.000 -1.036 2.191) 2.424 12.887 ( 0.000 -7.039 -0.727) 7.077 13.032 ( 0.000 7.553 2.061) 7.829 14.726 ( 0.000 0.366 -9.357) 9.365 15.095 ( 0.000 0.451 2.587) 2.626 15.593 ( 0.000 0.442 -12.675) 12.683 17.142 ( 0.000 -0.491 4.096) 4.125 18.948 ( 0.000 -0.072 0.183) 0.196 19.389 ( 0.000 -2.412 4.088) 4.747 19.502 ( 0.000 3.395 -1.757) 3.822 19.635 ( 0.000 0.089 -4.021) 4.022 20.824 ( 0.000 0.192 0.526) 0.560 21.602 ( 0.000 -1.047 -4.855) 4.967 22.243 ( 0.000 -0.216 4.944) 4.948 22.927 ( 0.000 -0.215 5.146) 5.151 ======================= Grid point 260 (102/144) ======================= q-point: ( 0.17 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 4.615 -0.070 2.442) 5.222 1.564 ( -5.720 0.443 -3.499) 6.720 1.721 ( -1.531 -0.097 -5.489) 5.699 1.733 ( 1.992 -0.556 -1.385) 2.489 2.238 ( -5.493 -6.681 1.011) 8.708 2.331 ( -3.803 0.783 2.794) 4.783 2.504 ( -0.576 1.708 0.553) 1.886 2.543 ( -1.515 4.970 2.525) 5.777 3.329 ( -1.240 -5.964 2.375) 6.538 3.365 ( 0.213 -7.466 7.469) 10.563 3.743 ( 11.934 -1.032 -0.640) 11.996 4.275 ( -6.656 2.458 2.848) 7.646 4.468 ( 2.963 8.218 10.468) 13.635 4.607 ( -1.679 3.317 -5.907) 6.979 5.025 ( -1.263 3.200 -2.711) 4.380 5.451 ( -4.349 2.523 15.949) 16.723 6.046 ( 4.301 -8.858 -10.224) 14.195 6.474 ( -6.504 -6.277 -6.393) 11.071 6.667 ( 2.540 -3.295 3.889) 5.695 6.953 ( -6.555 4.828 -0.940) 8.195 7.441 ( 10.351 -1.154 -4.773) 11.457 7.595 ( 1.973 -1.172 -3.446) 4.140 7.726 ( -0.870 6.883 0.798) 6.983 8.354 ( -1.469 2.641 -1.608) 3.423 9.853 ( 5.239 -0.789 0.681) 5.342 10.461 ( -2.929 -1.675 15.690) 16.048 11.729 ( -0.759 -0.013 0.671) 1.013 11.913 ( -2.654 -0.348 1.950) 3.312 12.867 ( -1.816 -6.957 -0.419) 7.202 13.012 ( -1.866 7.440 2.089) 7.950 14.777 ( 4.949 0.202 -9.020) 10.290 15.114 ( 1.165 0.514 1.564) 2.017 15.668 ( 8.054 0.321 -11.287) 13.870 17.022 ( -11.877 -0.332 3.095) 12.278 18.994 ( 4.462 -0.067 0.472) 4.487 19.374 ( -1.684 -1.760 4.153) 4.814 19.517 ( 1.493 2.669 -2.255) 3.800 19.636 ( 0.009 0.294 -3.646) 3.658 20.841 ( 1.916 -0.013 0.279) 1.936 21.472 ( -11.129 -1.043 -4.005) 11.874 22.356 ( 9.522 -0.209 4.350) 10.471 22.904 ( -2.302 -0.192 5.028) 5.533 ======================= Grid point 261 (103/144) ======================= q-point: ( 0.33 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 4.753 -0.257 -1.246) 4.920 1.463 ( -3.959 0.858 -6.668) 7.802 1.721 ( 2.222 -0.044 -2.748) 3.534 1.778 ( 2.761 0.104 -0.291) 2.779 2.092 ( -8.504 -8.235 -0.506) 11.849 2.251 ( -4.474 2.290 -0.794) 5.088 2.451 ( -3.199 4.513 -0.144) 5.534 2.504 ( -3.127 3.177 1.586) 4.731 3.334 ( 1.392 -6.772 2.223) 7.262 3.377 ( 0.408 -8.961 5.979) 10.780 3.940 ( 6.763 -5.931 1.030) 9.054 4.198 ( 0.092 7.737 -1.589) 7.899 4.512 ( 0.761 7.227 6.854) 9.990 4.564 ( -2.405 7.990 0.502) 8.359 5.033 ( 3.116 1.363 0.155) 3.405 5.329 ( -7.956 2.561 11.996) 14.621 6.132 ( 4.169 -9.988 -12.387) 16.449 6.340 ( -6.728 -7.265 -6.897) 12.067 6.686 ( -0.098 -7.995 2.734) 8.450 6.888 ( -0.778 10.827 5.040) 11.968 7.547 ( 1.621 2.495 -3.956) 4.950 7.614 ( -0.760 1.911 -1.761) 2.707 7.835 ( 11.412 0.376 -4.782) 12.379 8.280 ( -6.368 2.687 -1.735) 7.126 10.000 ( 9.466 -1.000 4.821) 10.670 10.367 ( -6.909 -1.609 13.825) 15.539 11.720 ( 0.073 -1.517 0.273) 1.543 11.849 ( -3.498 1.544 0.969) 3.944 12.831 ( -1.550 -6.806 0.586) 7.005 12.973 ( -1.797 7.220 1.891) 7.676 14.898 ( 6.927 -0.008 -7.785) 10.421 15.107 ( -2.286 0.441 -1.972) 3.051 15.915 ( 16.995 0.030 -7.011) 18.385 16.708 ( -19.386 0.114 0.595) 19.396 19.105 ( 6.370 -0.124 1.206) 6.484 19.321 ( -3.811 -0.761 3.468) 5.208 19.557 ( 2.386 1.590 -2.590) 3.864 19.629 ( -0.789 0.741 -3.024) 3.212 20.905 ( 4.808 -0.512 -0.524) 4.863 21.239 ( -11.809 -0.997 -2.995) 12.224 22.551 ( 9.673 -0.168 4.201) 10.547 22.836 ( -4.745 -0.141 4.743) 6.711 ======================= Grid point 262 (104/144) ======================= q-point: (-0.50 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -0.000 0.069 -6.288) 6.289 1.411 ( 0.000 0.808 -4.556) 4.627 1.786 ( 0.000 -0.490 0.397) 0.631 1.802 ( 0.000 1.182 -0.813) 1.435 1.985 ( 0.000 -10.017 -2.368) 10.293 2.183 ( 0.000 6.900 -3.385) 7.686 2.408 ( 0.000 1.026 0.632) 1.205 2.471 ( 0.000 4.521 0.606) 4.562 3.361 ( -0.000 -8.684 4.791) 9.918 3.371 ( 0.000 -8.323 2.764) 8.770 4.000 ( 0.000 -10.710 3.008) 11.124 4.226 ( 0.000 11.328 -5.956) 12.799 4.521 ( 0.000 9.044 5.957) 10.830 4.522 ( -0.000 8.933 1.849) 9.123 5.137 ( -0.000 -0.786 6.059) 6.109 5.179 ( 0.000 3.919 7.248) 8.239 6.199 ( -0.000 -11.197 -14.295) 18.158 6.243 ( 0.000 -6.768 -6.020) 9.058 6.684 ( 0.000 -8.690 2.980) 9.187 6.885 ( 0.000 11.703 7.001) 13.637 7.560 ( 0.000 1.194 -3.505) 3.703 7.602 ( 0.000 5.983 -4.457) 7.461 8.018 ( 0.000 -6.590 -2.574) 7.075 8.155 ( -0.000 7.287 -3.277) 7.991 10.190 ( 0.000 -2.099 10.080) 10.296 10.204 ( -0.000 -0.605 9.569) 9.589 11.728 ( 0.000 -3.802 1.014) 3.935 11.805 ( 0.000 4.018 -0.360) 4.034 12.815 ( 0.000 -6.770 1.254) 6.885 12.953 ( 0.000 7.145 1.682) 7.341 15.018 ( -0.000 -0.575 -4.926) 4.959 15.034 ( 0.000 0.847 -6.006) 6.066 16.264 ( 0.000 -3.440 -2.176) 4.070 16.336 ( 0.000 3.682 -3.302) 4.946 19.218 ( 0.000 -1.119 2.130) 2.406 19.235 ( 0.000 0.567 2.455) 2.519 19.596 ( -0.000 0.532 -2.978) 3.026 19.607 ( 0.000 1.637 -2.429) 2.929 21.025 ( -0.000 -1.997 -1.845) 2.719 21.047 ( 0.000 0.249 -1.700) 1.718 22.714 ( -0.000 -0.578 4.397) 4.435 22.723 ( 0.000 0.315 4.457) 4.468 ======================= Grid point 266 (105/144) ======================= q-point: ( 0.00 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.000 -1.102 4.720) 4.847 1.541 ( 0.000 -2.095 -8.293) 8.554 1.616 ( 0.000 -3.752 -4.444) 5.816 1.678 ( 0.000 0.618 -2.621) 2.693 2.223 ( 0.000 -5.600 -1.419) 5.777 2.436 ( 0.000 2.995 -0.707) 3.077 2.585 ( 0.000 2.570 1.306) 2.883 2.602 ( 0.000 0.920 5.343) 5.421 3.309 ( 0.000 -15.094 3.386) 15.469 3.490 ( 0.000 -4.905 12.575) 13.498 3.636 ( 0.000 1.749 5.360) 5.638 4.432 ( 0.000 -2.089 -8.157) 8.421 4.454 ( 0.000 -4.102 4.692) 6.232 4.749 ( 0.000 14.764 7.426) 16.526 5.059 ( 0.000 7.558 -2.315) 7.905 5.747 ( 0.000 -1.982 10.036) 10.230 5.776 ( 0.000 -5.595 -7.328) 9.220 6.319 ( 0.000 -6.310 -3.362) 7.150 6.800 ( 0.000 0.056 7.112) 7.112 6.997 ( 0.000 0.510 -6.843) 6.862 7.171 ( 0.000 -0.070 -1.611) 1.613 7.546 ( 0.000 5.697 -4.701) 7.386 7.862 ( 0.000 1.944 4.193) 4.622 8.361 ( 0.000 4.832 -2.452) 5.418 9.779 ( 0.000 -0.845 -0.588) 1.029 10.745 ( 0.000 -3.807 16.404) 16.840 11.754 ( 0.000 0.290 0.210) 0.358 11.946 ( 0.000 -2.755 0.564) 2.812 12.799 ( 0.000 -6.806 -0.683) 6.840 13.144 ( 0.000 8.030 0.528) 8.047 14.571 ( 0.000 1.739 -9.361) 9.521 15.144 ( 0.000 0.664 2.328) 2.421 15.399 ( 0.000 1.028 -10.373) 10.423 17.189 ( 0.000 -0.547 2.119) 2.188 18.960 ( 0.000 0.158 1.083) 1.094 19.392 ( 0.000 -2.844 0.229) 2.853 19.558 ( 0.000 4.494 2.560) 5.172 19.576 ( 0.000 0.848 -3.259) 3.367 20.850 ( 0.000 0.062 2.142) 2.143 21.503 ( 0.000 -1.231 -5.056) 5.204 22.321 ( 0.000 -0.378 4.435) 4.451 22.997 ( 0.000 -1.661 3.885) 4.225 ======================= Grid point 267 (106/144) ======================= q-point: ( 0.17 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 2.042 -1.264 3.591) 4.321 1.423 ( -7.536 -2.301 -9.796) 12.571 1.659 ( 1.603 -1.323 -1.058) 2.332 1.711 ( 2.780 0.696 -3.354) 4.412 2.161 ( -5.929 -6.093 -1.599) 8.651 2.380 ( -6.414 0.410 1.926) 6.709 2.475 ( -3.494 0.772 -2.767) 4.523 2.652 ( -0.748 4.236 3.505) 5.549 3.312 ( -0.023 -14.308 3.704) 14.779 3.424 ( -2.912 -5.698 11.038) 12.758 3.806 ( 11.912 1.940 6.338) 13.632 4.297 ( -8.069 -0.958 -2.419) 8.478 4.521 ( 1.867 -2.448 -2.306) 3.846 4.778 ( 3.269 14.345 8.456) 16.969 5.037 ( -1.645 6.299 -1.977) 6.804 5.688 ( -5.459 0.532 8.997) 10.537 5.795 ( 1.102 -7.921 -8.180) 11.439 6.281 ( -3.601 -4.727 -2.915) 6.619 6.729 ( -4.706 -5.964 4.335) 8.747 7.005 ( 2.357 5.926 -0.733) 6.420 7.354 ( 13.326 -1.004 -2.474) 13.591 7.540 ( -0.283 3.738 -4.510) 5.865 7.799 ( -4.943 4.796 0.709) 6.924 8.357 ( -1.364 3.982 -1.833) 4.591 9.855 ( 7.699 -1.113 0.855) 7.826 10.708 ( -4.034 -3.844 15.680) 16.641 11.734 ( -1.580 -0.289 0.103) 1.610 11.928 ( -1.849 -1.500 0.822) 2.518 12.790 ( -0.826 -6.667 -0.222) 6.722 13.116 ( -2.571 7.385 0.360) 7.828 14.626 ( 5.405 1.328 -8.938) 10.529 15.135 ( -1.752 0.778 -0.097) 1.920 15.504 ( 11.203 1.091 -7.991) 13.804 17.055 ( -13.173 -0.266 1.283) 13.238 19.010 ( 4.833 0.142 1.294) 5.005 19.393 ( -0.348 -3.075 1.094) 3.282 19.535 ( -0.926 3.710 -0.656) 3.880 19.598 ( 1.074 2.127 -1.058) 2.607 20.859 ( 1.074 -0.218 1.738) 2.054 21.388 ( -10.058 -1.207 -4.199) 10.967 22.424 ( 8.996 -0.514 3.930) 9.830 22.973 ( -2.412 -1.569 3.812) 4.776 ======================= Grid point 268 (107/144) ======================= q-point: ( 0.33 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -2.653 -2.263 -8.067) 8.788 1.351 ( -0.085 0.581 -2.840) 2.900 1.702 ( 2.944 -0.287 0.104) 2.959 1.767 ( 3.420 1.236 -1.155) 3.815 2.027 ( -6.915 -4.861 -0.401) 8.462 2.241 ( -6.719 -0.910 -0.271) 6.786 2.444 ( -0.507 2.849 -4.849) 5.647 2.571 ( -6.624 4.885 1.583) 8.381 3.302 ( -0.602 -14.475 3.840) 14.988 3.395 ( -0.676 -9.591 10.088) 13.936 3.989 ( 5.466 -1.172 7.160) 9.084 4.179 ( -3.182 2.744 -5.855) 7.207 4.556 ( 3.045 3.966 -1.990) 5.381 4.818 ( -1.584 15.717 6.828) 17.209 5.062 ( 6.085 0.692 1.149) 6.231 5.530 ( -10.172 2.813 7.299) 12.832 5.827 ( 2.048 -10.623 -9.019) 14.085 6.195 ( -4.582 -0.934 -2.341) 5.230 6.674 ( -1.038 -10.947 5.669) 12.372 7.061 ( 2.533 7.271 2.466) 8.085 7.497 ( 0.452 3.447 -4.831) 5.952 7.583 ( 1.531 1.602 -3.150) 3.851 7.785 ( 7.543 3.611 -3.110) 8.922 8.279 ( -6.630 4.117 -2.146) 8.094 10.065 ( 13.181 -1.910 4.371) 14.017 10.575 ( -9.780 -3.655 12.957) 16.640 11.717 ( 0.154 -1.276 0.934) 1.589 11.876 ( -3.276 0.725 0.738) 3.435 12.775 ( -0.566 -6.503 0.638) 6.559 13.063 ( -2.340 6.383 0.192) 6.801 14.764 ( 8.250 0.626 -7.790) 11.364 15.063 ( -5.533 0.631 -3.468) 6.560 15.820 ( 20.246 1.181 -4.699) 20.817 16.710 ( -21.281 0.469 -0.623) 21.295 19.128 ( 6.751 -0.143 1.653) 6.952 19.358 ( -3.489 -2.028 2.201) 4.597 19.540 ( 1.300 2.924 -2.071) 3.812 19.607 ( -0.177 2.694 -1.168) 2.942 20.899 ( 3.261 -0.905 0.573) 3.432 21.177 ( -10.475 -1.124 -2.753) 10.889 22.614 ( 9.612 -0.785 3.581) 10.288 22.903 ( -4.878 -1.326 3.656) 6.239 ======================= Grid point 269 (108/144) ======================= q-point: (-0.50 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 0.000 -1.320 -8.397) 8.500 1.345 ( 0.000 1.562 -4.257) 4.535 1.752 ( 0.000 -1.974 -2.661) 3.314 1.808 ( 0.000 0.971 1.460) 1.753 1.948 ( 0.000 -0.855 2.635) 2.771 2.155 ( 0.000 0.216 -3.589) 3.595 2.448 ( 0.000 7.320 -1.123) 7.406 2.476 ( -0.000 0.385 -2.629) 2.657 3.298 ( 0.000 -15.869 3.869) 16.334 3.387 ( 0.000 -10.768 9.424) 14.310 4.034 ( 0.000 -5.504 8.533) 10.154 4.153 ( 0.000 4.426 -9.545) 10.521 4.618 ( 0.000 10.054 -2.114) 10.274 4.765 ( -0.000 14.909 6.464) 16.250 5.190 ( 0.000 -4.639 2.150) 5.113 5.371 ( 0.000 7.136 7.698) 10.497 5.854 ( 0.000 -12.768 -9.314) 15.804 6.141 ( 0.000 1.717 -1.773) 2.468 6.668 ( 0.000 -12.561 6.776) 14.272 7.087 ( 0.000 7.301 3.738) 8.203 7.499 ( 0.000 2.149 -5.218) 5.643 7.571 ( 0.000 7.293 -6.584) 9.825 7.938 ( 0.000 -3.103 -0.542) 3.150 8.163 ( -0.000 7.295 -3.801) 8.226 10.329 ( 0.000 -3.537 8.954) 9.627 10.346 ( -0.000 -2.303 8.430) 8.739 11.728 ( 0.000 -2.552 2.506) 3.577 11.831 ( 0.000 2.544 -0.225) 2.554 12.770 ( 0.000 -6.473 1.031) 6.555 13.038 ( 0.000 6.008 0.182) 6.011 14.919 ( -0.000 -0.307 -7.100) 7.106 14.935 ( 0.000 1.134 -4.761) 4.895 16.216 ( 0.000 -0.700 -1.059) 1.269 16.304 ( 0.000 2.729 -4.048) 4.882 19.239 ( 0.000 -1.548 1.866) 2.425 19.280 ( 0.000 0.026 2.213) 2.213 19.562 ( -0.000 1.879 -2.179) 2.877 19.599 ( 0.000 3.387 -1.390) 3.661 20.977 ( -0.000 -2.417 -1.119) 2.663 21.025 ( 0.000 0.057 -1.010) 1.012 22.773 ( -0.000 -1.484 3.553) 3.850 22.791 ( 0.000 -0.631 3.541) 3.597 ======================= Grid point 273 (109/144) ======================= q-point: ( 0.00 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 -7.230 -5.065) 8.828 1.402 ( 0.000 -7.218 -12.496) 14.431 1.449 ( 0.000 1.910 0.423) 1.956 1.680 ( 0.000 -2.161 3.502) 4.115 2.155 ( 0.000 -4.696 -1.235) 4.856 2.460 ( 0.000 4.941 -0.178) 4.944 2.641 ( 0.000 1.032 1.982) 2.234 2.678 ( 0.000 -2.135 3.936) 4.477 3.225 ( 0.000 -16.932 5.551) 17.819 3.686 ( 0.000 -5.071 14.408) 15.275 3.761 ( 0.000 3.116 6.024) 6.782 4.226 ( 0.000 -6.910 -10.483) 12.556 4.403 ( 0.000 -11.070 -2.319) 11.311 4.967 ( 0.000 9.385 2.040) 9.604 5.101 ( 0.000 4.522 0.608) 4.563 5.690 ( 0.000 6.804 -1.706) 7.015 5.840 ( 0.000 -3.552 6.525) 7.429 6.322 ( 0.000 3.375 1.812) 3.831 6.845 ( 0.000 -7.740 3.498) 8.494 6.880 ( 0.000 1.456 -6.393) 6.556 7.218 ( 0.000 6.454 2.113) 6.791 7.520 ( 0.000 5.554 -4.624) 7.227 7.927 ( 0.000 -0.677 2.452) 2.544 8.368 ( 0.000 5.872 -2.680) 6.455 9.771 ( 0.000 -0.250 0.404) 0.475 10.979 ( 0.000 -5.098 15.640) 16.450 11.753 ( 0.000 -0.041 -0.387) 0.389 11.912 ( 0.000 -4.369 -0.279) 4.378 12.741 ( 0.000 -6.000 1.225) 6.123 13.176 ( 0.000 7.229 -6.052) 9.428 14.447 ( 0.000 3.452 -7.499) 8.256 15.184 ( 0.000 0.486 1.576) 1.650 15.257 ( 0.000 0.234 -6.770) 6.774 17.215 ( 0.000 0.626 1.175) 1.331 18.987 ( 0.000 0.622 1.527) 1.649 19.366 ( 0.000 -1.870 -0.460) 1.925 19.539 ( 0.000 1.668 -2.429) 2.947 19.648 ( 0.000 3.892 2.813) 4.802 20.890 ( 0.000 -0.481 2.537) 2.582 21.411 ( 0.000 -0.843 -4.244) 4.327 22.392 ( 0.000 0.158 3.942) 3.945 23.025 ( 0.000 -3.717 2.381) 4.414 ======================= Grid point 274 (110/144) ======================= q-point: ( 0.17 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -6.616 -6.535 -9.643) 13.397 1.352 ( -0.001 -3.306 2.187) 3.964 1.547 ( 5.572 -1.688 -9.048) 10.759 1.713 ( 3.270 -0.195 3.692) 4.936 2.091 ( -6.070 -4.687 -0.666) 7.698 2.392 ( -6.055 2.795 -1.634) 6.866 2.481 ( -8.620 -0.223 2.738) 9.047 2.724 ( -1.215 0.224 1.560) 1.990 3.227 ( 0.057 -17.157 5.730) 18.088 3.601 ( -4.147 -2.971 12.618) 13.611 3.948 ( 11.229 1.553 6.713) 13.174 4.172 ( -4.750 -5.462 -7.840) 10.670 4.412 ( 1.721 -9.305 -4.159) 10.336 4.991 ( 2.631 7.285 1.715) 7.933 5.073 ( -2.357 4.602 0.607) 5.206 5.668 ( -2.615 4.404 -1.907) 5.465 5.817 ( -1.963 0.727 6.804) 7.118 6.301 ( -2.335 4.249 2.579) 5.492 6.711 ( -5.722 -5.166 0.692) 7.740 6.982 ( 4.920 -2.908 -2.901) 6.409 7.376 ( 12.582 5.270 1.672) 13.743 7.505 ( -1.185 4.911 -4.344) 6.663 7.838 ( -7.086 2.561 -0.266) 7.539 8.367 ( -1.372 4.917 -2.077) 5.511 9.866 ( 9.411 -0.853 1.496) 9.567 10.925 ( -5.815 -5.153 14.488) 16.440 11.729 ( -1.521 -0.679 -0.076) 1.668 11.915 ( -0.263 -2.724 0.064) 2.737 12.737 ( -0.276 -5.942 1.382) 6.107 13.141 ( -3.067 5.942 -5.471) 8.640 14.505 ( 5.682 2.774 -6.966) 9.408 15.125 ( -4.477 0.578 -1.696) 4.822 15.414 ( 13.917 0.952 -3.919) 14.490 17.070 ( -14.177 0.787 0.436) 14.205 19.041 ( 5.062 0.672 1.726) 5.390 19.373 ( 0.432 -2.212 -0.088) 2.255 19.532 ( -0.423 2.414 -2.123) 3.243 19.649 ( -0.098 3.994 1.980) 4.459 20.890 ( 0.098 -0.737 2.150) 2.275 21.311 ( -8.879 -0.763 -3.502) 9.575 22.484 ( 8.166 -0.353 3.454) 8.874 23.002 ( -2.353 -3.534 2.358) 4.856 ======================= Grid point 275 (111/144) ======================= q-point: ( 0.33 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.108 -3.487 -7.255) 8.050 1.354 ( -1.342 -1.495 2.592) 3.280 1.648 ( 4.739 -0.625 -7.119) 8.574 1.799 ( 4.474 2.635 2.583) 5.800 1.973 ( -3.935 -2.669 -0.877) 4.835 2.242 ( -8.999 0.725 -0.132) 9.029 2.382 ( -1.082 -0.293 -2.335) 2.590 2.626 ( -8.247 2.525 -0.258) 8.628 3.233 ( 0.830 -16.295 6.914) 17.721 3.517 ( -4.500 -7.028 11.850) 14.493 4.039 ( -2.105 0.028 -6.501) 6.833 4.111 ( -0.633 -6.163 2.892) 6.837 4.521 ( 8.928 -0.286 -3.158) 9.474 4.989 ( -3.820 2.033 -0.853) 4.410 5.104 ( 6.260 5.856 2.823) 9.025 5.569 ( -7.121 1.374 -1.484) 7.402 5.794 ( -0.206 6.066 7.395) 9.567 6.236 ( -3.523 7.116 1.643) 8.109 6.663 ( 0.111 -10.600 5.204) 11.809 7.069 ( 3.792 -2.367 -3.599) 5.739 7.462 ( -1.456 4.370 -3.879) 6.022 7.558 ( -0.249 4.652 -3.046) 5.566 7.796 ( 7.480 5.467 -0.759) 9.296 8.286 ( -6.760 5.264 -2.249) 8.858 10.117 ( 15.626 -2.252 3.996) 16.286 10.741 ( -12.990 -4.838 11.034) 17.717 11.726 ( 1.381 -1.152 1.399) 2.278 11.888 ( -2.467 -0.476 0.485) 2.559 12.733 ( -0.132 -5.805 1.632) 6.032 13.082 ( -2.489 3.893 -4.281) 6.299 14.652 ( 8.845 1.221 -5.864) 10.682 15.011 ( -7.232 0.668 -3.077) 7.888 15.769 ( 21.825 2.055 -3.205) 22.154 16.702 ( -22.500 1.382 -1.086) 22.569 19.159 ( 6.442 0.210 1.844) 6.704 19.361 ( -2.175 -2.173 0.758) 3.166 19.539 ( 1.353 3.570 -1.599) 4.139 19.638 ( -1.068 4.336 0.373) 4.481 20.904 ( 1.570 -1.326 1.110) 2.336 21.126 ( -8.922 -0.714 -2.122) 9.199 22.659 ( 9.015 -1.365 2.858) 9.555 22.934 ( -4.691 -3.021 2.346) 6.053 ======================= Grid point 276 (112/144) ======================= q-point: (-0.50 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.000 -1.898 -2.043) 2.789 1.309 ( -0.000 1.119 -0.770) 1.358 1.715 ( 0.000 1.581 -2.218) 2.724 1.808 ( 0.000 -0.047 -3.595) 3.596 1.998 ( 0.000 2.582 1.739) 3.113 2.105 ( 0.000 0.094 -0.794) 0.800 2.413 ( 0.000 -4.322 -1.512) 4.579 2.485 ( 0.000 7.161 -3.326) 7.896 3.250 ( 0.000 -14.955 8.624) 17.264 3.461 ( 0.000 -11.129 10.345) 15.194 4.009 ( 0.000 1.257 -9.906) 9.985 4.100 ( 0.000 -8.662 4.069) 9.570 4.642 ( 0.000 4.778 -2.569) 5.424 4.931 ( 0.000 -0.113 -0.160) 0.196 5.198 ( 0.000 6.355 3.320) 7.170 5.467 ( 0.000 0.031 -1.709) 1.709 5.795 ( 0.000 6.888 7.750) 10.369 6.197 ( 0.000 8.443 0.807) 8.481 6.672 ( 0.000 -13.149 8.183) 15.487 7.111 ( 0.000 -2.124 -3.821) 4.372 7.446 ( 0.000 3.738 -3.782) 5.318 7.519 ( -0.000 7.540 -7.420) 10.579 7.950 ( 0.000 2.218 2.198) 3.123 8.169 ( -0.000 7.726 -3.933) 8.669 10.433 ( 0.000 -4.303 7.550) 8.690 10.451 ( -0.000 -3.203 6.759) 7.480 11.756 ( 0.000 -1.985 3.001) 3.598 11.847 ( 0.000 1.107 -0.035) 1.108 12.732 ( 0.000 -5.717 1.718) 5.970 13.056 ( 0.000 3.063 -3.669) 4.779 14.803 ( 0.000 -1.115 -4.962) 5.086 14.877 ( 0.000 2.246 -4.004) 4.591 16.209 ( -0.000 2.086 -0.788) 2.230 16.255 ( 0.000 2.105 -3.959) 4.484 19.256 ( 0.000 -1.249 1.727) 2.131 19.306 ( 0.000 -0.641 1.170) 1.334 19.564 ( 0.000 3.784 -0.682) 3.845 19.619 ( 0.000 4.588 -0.983) 4.692 20.943 ( -0.000 -2.309 -0.009) 2.309 21.010 ( 0.000 -0.060 -0.892) 0.894 22.807 ( 0.000 -2.645 2.655) 3.748 22.830 ( 0.000 -1.955 2.330) 3.042 ======================= Grid point 280 (113/144) ======================= q-point: ( 0.00 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.000 -10.483 -6.697) 12.440 1.125 ( 0.000 -9.937 -8.010) 12.763 1.512 ( 0.000 2.974 2.290) 3.754 1.736 ( 0.000 -3.629 5.615) 6.686 2.059 ( 0.000 -7.307 -3.630) 8.159 2.528 ( 0.000 6.135 1.540) 6.325 2.653 ( 0.000 -1.577 -0.466) 1.644 2.681 ( 0.000 -7.983 1.652) 8.152 3.177 ( 0.000 -17.317 7.472) 18.861 3.848 ( 0.000 -7.549 10.162) 12.659 3.885 ( 0.000 0.485 2.191) 2.244 3.966 ( 0.000 -3.847 -8.280) 9.130 4.208 ( 0.000 -11.876 -5.101) 12.925 5.003 ( 0.000 1.783 -2.099) 2.754 5.166 ( 0.000 0.508 3.430) 3.467 5.838 ( 0.000 18.630 2.238) 18.764 5.931 ( 0.000 0.372 4.680) 4.694 6.351 ( 0.000 3.997 -2.712) 4.830 6.804 ( 0.000 -10.763 2.251) 10.996 6.853 ( 0.000 5.884 -0.636) 5.918 7.321 ( 0.000 6.944 1.510) 7.107 7.499 ( 0.000 4.930 -3.360) 5.966 7.937 ( 0.000 -2.451 0.707) 2.550 8.385 ( 0.000 6.626 -2.230) 6.991 9.786 ( 0.000 0.098 1.106) 1.110 11.189 ( 0.000 -3.503 13.267) 13.721 11.743 ( 0.000 -0.219 -0.609) 0.647 11.858 ( 0.000 -5.391 -0.326) 5.400 12.731 ( 0.000 -4.523 3.881) 5.960 13.063 ( 0.000 3.006 -12.652) 13.004 14.386 ( 0.000 4.763 -4.094) 6.281 15.162 ( 0.000 -1.792 -3.549) 3.976 15.206 ( 0.000 -0.020 0.640) 0.640 17.251 ( 0.000 2.861 1.191) 3.099 19.020 ( 0.000 1.127 1.189) 1.638 19.343 ( 0.000 -1.413 -0.313) 1.447 19.523 ( 0.000 1.975 -1.519) 2.492 19.724 ( 0.000 3.630 1.623) 3.976 20.920 ( 0.000 -1.069 1.560) 1.891 21.347 ( 0.000 0.003 -2.464) 2.464 22.461 ( 0.000 1.486 3.024) 3.370 23.007 ( 0.000 -5.888 0.985) 5.969 ======================= Grid point 281 (114/144) ======================= q-point: ( 0.17 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -2.714 -8.554 -3.460) 9.618 1.228 ( 8.237 -8.430 -7.642) 14.047 1.479 ( -2.042 0.321 0.855) 2.237 1.793 ( 5.178 0.070 5.004) 7.201 2.017 ( -3.953 -6.408 -2.382) 7.897 2.408 ( -10.417 3.850 -0.083) 11.106 2.525 ( -8.071 0.033 1.615) 8.231 2.688 ( -2.121 -8.275 -0.972) 8.597 3.200 ( 1.534 -14.587 8.238) 16.823 3.759 ( -5.235 -5.225 8.916) 11.584 3.911 ( -2.029 -9.477 -9.219) 13.376 4.040 ( 2.890 -2.600 -0.779) 3.965 4.263 ( 8.610 -5.463 -1.134) 10.260 5.013 ( -0.132 1.346 -1.373) 1.927 5.131 ( -1.621 0.610 2.430) 2.984 5.795 ( -4.424 14.259 3.046) 15.237 5.960 ( 2.726 6.998 4.668) 8.843 6.361 ( 0.410 3.655 -0.949) 3.798 6.689 ( -6.334 0.202 0.239) 6.341 6.899 ( 2.655 -7.061 -0.309) 7.550 7.448 ( 4.650 4.431 -0.793) 6.472 7.508 ( 5.478 7.517 -0.774) 9.334 7.844 ( -7.147 0.946 -0.744) 7.247 8.383 ( -1.339 5.761 -1.873) 6.204 9.887 ( 10.095 -0.783 1.675) 10.262 11.109 ( -8.489 -4.040 11.677) 14.991 11.719 ( -0.887 -1.077 -0.150) 1.404 11.882 ( 1.302 -3.561 -0.236) 3.799 12.729 ( -0.148 -4.650 3.938) 6.095 13.032 ( -2.590 1.695 -11.171) 11.592 14.446 ( 5.808 3.996 -3.587) 7.910 15.092 ( -4.893 -0.858 -1.874) 5.309 15.376 ( 14.579 0.597 -1.543) 14.672 17.093 ( -15.288 2.427 0.539) 15.489 19.080 ( 5.370 1.524 1.417) 5.759 19.353 ( 0.740 -1.445 -0.110) 1.627 19.524 ( 0.450 2.572 -1.455) 2.989 19.718 ( -0.719 3.983 1.304) 4.252 20.912 ( -0.604 -1.241 1.366) 1.942 21.258 ( -7.965 0.111 -2.041) 8.224 22.537 ( 6.809 0.322 2.573) 7.286 22.987 ( -2.136 -5.635 0.993) 6.107 ======================= Grid point 282 (115/144) ======================= q-point: ( 0.33 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 8.167 -2.041 3.007) 8.939 1.382 ( 3.792 -4.311 1.164) 5.858 1.483 ( 4.865 -0.623 -7.705) 9.133 1.855 ( -5.077 -0.063 0.130) 5.080 1.970 ( 4.480 2.144 1.859) 5.303 2.231 ( -6.595 1.174 -1.424) 6.848 2.379 ( -5.558 0.528 1.027) 5.677 2.596 ( -7.307 -4.836 -1.587) 8.906 3.233 ( 2.779 -12.468 8.270) 15.217 3.624 ( -8.941 -9.125 8.157) 15.158 3.872 ( -1.410 -4.786 -8.309) 9.692 4.005 ( -3.533 -8.720 -5.320) 10.808 4.499 ( 12.222 -2.683 1.709) 12.629 4.928 ( -7.116 -4.766 -1.542) 8.702 5.213 ( 9.189 6.899 2.048) 11.672 5.660 ( -9.404 11.637 2.771) 15.217 6.027 ( 3.700 12.790 6.660) 14.887 6.328 ( -3.600 7.025 0.278) 7.899 6.654 ( 2.467 -5.347 2.832) 6.535 6.944 ( 1.522 -8.850 -3.457) 9.622 7.438 ( -1.198 3.863 -3.067) 5.076 7.564 ( -5.586 6.233 -2.285) 8.677 7.859 ( 10.735 6.876 0.696) 12.768 8.305 ( -6.655 6.194 -1.946) 9.297 10.156 ( 16.736 -2.600 2.982) 17.197 10.861 ( -16.319 -4.711 7.885) 18.726 11.739 ( 2.735 -1.136 1.267) 3.221 11.882 ( -1.416 -1.511 0.017) 2.071 12.728 ( 0.010 -4.876 4.090) 6.364 12.984 ( -1.916 -0.225 -8.776) 8.985 14.593 ( 8.835 1.858 -2.558) 9.383 14.968 ( -7.762 -0.334 -2.196) 8.073 15.745 ( 22.578 2.573 -1.998) 22.812 16.705 ( -23.434 2.342 -0.658) 23.560 19.195 ( 5.760 1.118 1.474) 6.050 19.351 ( -1.365 -1.242 0.269) 1.865 19.555 ( 2.849 4.154 -0.912) 5.119 19.691 ( -2.117 4.797 0.442) 5.262 20.909 ( 0.620 -1.446 0.964) 1.845 21.091 ( -8.033 -0.077 -1.364) 8.149 22.685 ( 7.716 -1.876 1.869) 8.157 22.925 ( -4.202 -4.907 1.053) 6.545 ======================= Grid point 283 (116/144) ======================= q-point: (-0.50 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 -0.730 8.555) 8.586 1.350 ( -0.000 0.532 3.961) 3.997 1.652 ( 0.000 2.531 -8.180) 8.563 1.686 ( 0.000 -1.802 -7.933) 8.135 2.075 ( 0.000 4.148 3.752) 5.593 2.135 ( -0.000 3.473 1.218) 3.680 2.364 ( 0.000 -5.368 1.593) 5.599 2.465 ( 0.000 1.933 -4.253) 4.671 3.299 ( 0.000 -10.559 10.515) 14.902 3.484 ( 0.000 -13.119 4.452) 13.854 3.859 ( 0.000 -0.466 -6.560) 6.576 3.965 ( 0.000 -11.542 -6.251) 13.126 4.657 ( 0.000 -2.937 3.187) 4.333 4.817 ( 0.000 -8.944 -3.916) 9.764 5.399 ( 0.000 14.703 4.509) 15.379 5.476 ( -0.000 6.287 0.414) 6.301 6.073 ( 0.000 14.618 9.090) 17.213 6.279 ( 0.000 8.733 -1.574) 8.873 6.698 ( 0.000 -10.268 7.901) 12.956 6.955 ( 0.000 -7.823 -7.377) 10.752 7.435 ( 0.000 4.435 -1.914) 4.830 7.476 ( -0.000 7.130 -5.285) 8.875 8.041 ( 0.000 5.736 3.485) 6.712 8.176 ( -0.000 8.240 -4.249) 9.271 10.504 ( 0.000 -4.527 5.345) 7.005 10.515 ( 0.000 -3.827 4.396) 5.828 11.789 ( -0.000 -1.614 2.711) 3.155 11.848 ( 0.000 -0.083 -0.654) 0.660 12.728 ( 0.000 -4.957 4.198) 6.496 12.965 ( 0.000 -0.958 -7.810) 7.869 14.743 ( 0.000 -1.034 -0.501) 1.149 14.829 ( -0.000 1.645 -4.051) 4.372 16.220 ( -0.000 3.460 -1.135) 3.642 16.221 ( 0.000 2.347 -2.081) 3.137 19.278 ( 0.000 -0.224 1.677) 1.692 19.311 ( 0.000 -0.295 0.045) 0.298 19.609 ( 0.000 5.124 0.698) 5.171 19.649 ( -0.000 5.192 -1.171) 5.323 20.934 ( 0.000 -1.567 1.192) 1.969 20.988 ( 0.000 -0.235 -1.489) 1.508 22.814 ( 0.000 -3.895 1.777) 4.281 22.832 ( -0.000 -3.514 0.885) 3.623 ======================= Grid point 287 (117/144) ======================= q-point: ( 0.00 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.000 -12.378 0.000) 12.378 0.956 ( 0.000 -11.726 0.000) 11.726 1.562 ( 0.000 2.473 -0.000) 2.473 1.757 ( 0.000 -8.065 0.000) 8.065 1.917 ( 0.000 -8.792 0.000) 8.792 2.578 ( 0.000 -6.517 0.000) 6.517 2.582 ( 0.000 -14.496 0.000) 14.496 2.644 ( 0.000 8.688 -0.000) 8.688 3.096 ( 0.000 -15.243 0.000) 15.243 3.724 ( 0.000 -13.313 0.000) 13.313 3.856 ( 0.000 -8.601 0.000) 8.601 4.047 ( 0.000 13.233 -0.000) 13.233 4.057 ( 0.000 -10.021 0.000) 10.021 4.988 ( 0.000 0.740 -0.000) 0.740 5.198 ( 0.000 -1.307 0.000) 1.307 5.976 ( 0.000 0.552 -0.000) 0.552 6.060 ( 0.000 20.962 -0.000) 20.962 6.367 ( 0.000 6.310 -0.000) 6.310 6.708 ( 0.000 -13.289 0.000) 13.289 6.929 ( 0.000 8.254 -0.000) 8.254 7.393 ( 0.000 4.752 -0.000) 4.752 7.512 ( 0.000 4.265 -0.000) 4.265 7.917 ( 0.000 -1.935 0.000) 1.935 8.432 ( 0.000 7.924 -0.000) 7.924 9.796 ( 0.000 -0.966 0.000) 0.966 11.317 ( 0.000 0.004 -0.000) 0.004 11.733 ( 0.000 -0.348 0.000) 0.348 11.800 ( 0.000 -5.768 0.000) 5.768 12.790 ( 0.000 -2.052 0.000) 2.052 12.858 ( 0.000 -3.953 0.000) 3.953 14.399 ( 0.000 5.232 -0.000) 5.232 15.103 ( 0.000 -3.115 0.000) 3.115 15.208 ( 0.000 -0.513 0.000) 0.513 17.303 ( 0.000 4.638 -0.000) 4.638 19.044 ( 0.000 1.334 -0.000) 1.334 19.328 ( 0.000 -1.122 0.000) 1.122 19.526 ( 0.000 1.713 -0.000) 1.713 19.773 ( 0.000 3.389 -0.000) 3.389 20.922 ( 0.000 -1.196 0.000) 1.196 21.331 ( 0.000 1.359 -0.000) 1.359 22.513 ( 0.000 2.656 -0.000) 2.656 22.949 ( 0.000 -7.734 0.000) 7.734 ======================= Grid point 288 (118/144) ======================= q-point: ( 0.17 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 4.762 -7.947 0.000) 9.264 1.055 ( 8.945 -10.007 0.000) 13.422 1.492 ( -4.252 -0.649 0.000) 4.301 1.831 ( 5.272 -8.920 0.000) 10.361 1.920 ( 1.071 -1.032 0.000) 1.488 2.451 ( -13.321 1.777 -0.000) 13.439 2.491 ( -5.864 -10.661 0.000) 12.168 2.600 ( -2.230 -2.661 0.000) 3.472 3.155 ( 3.589 -13.211 0.000) 13.690 3.692 ( -1.950 -11.996 0.000) 12.154 3.775 ( -6.673 -8.717 0.000) 10.978 3.991 ( -2.986 -2.153 0.000) 3.681 4.260 ( 12.912 2.222 -0.000) 13.102 5.017 ( -0.346 2.472 -0.000) 2.496 5.152 ( -0.605 -1.445 0.000) 1.567 5.945 ( -3.955 7.264 -0.000) 8.271 6.103 ( 4.564 15.241 -0.000) 15.910 6.385 ( 1.764 5.816 -0.000) 6.078 6.678 ( -3.150 -6.501 0.000) 7.224 6.858 ( -3.617 0.389 -0.000) 3.637 7.465 ( -0.060 2.652 -0.000) 2.653 7.592 ( 10.574 8.694 -0.000) 13.689 7.843 ( -5.330 0.774 -0.000) 5.386 8.426 ( -1.509 7.221 -0.000) 7.377 9.893 ( 9.680 -2.037 0.000) 9.892 11.205 ( -11.734 -2.202 0.000) 11.939 11.705 ( -0.291 -1.471 0.000) 1.500 11.842 ( 2.351 -3.817 0.000) 4.483 12.783 ( -0.507 -2.549 0.000) 2.599 12.843 ( -1.316 -4.220 0.000) 4.421 14.458 ( 5.478 4.508 -0.000) 7.094 15.054 ( -4.456 -2.319 0.000) 5.023 15.370 ( 15.320 1.072 -0.000) 15.357 17.129 ( -16.533 3.131 -0.000) 16.827 19.113 ( 5.908 2.519 -0.000) 6.422 19.342 ( 1.130 -0.731 0.000) 1.346 19.534 ( 1.168 2.335 -0.000) 2.611 19.767 ( -0.614 3.790 -0.000) 3.840 20.911 ( -0.828 -1.298 0.000) 1.540 21.247 ( -7.652 1.466 -0.000) 7.791 22.568 ( 5.026 0.601 -0.000) 5.061 22.930 ( -1.865 -7.473 0.000) 7.702 ======================= Grid point 289 (119/144) ======================= q-point: ( 0.33 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 15.574 1.247 -0.000) 15.624 1.271 ( 12.874 -5.732 0.000) 14.093 1.446 ( -1.584 -1.520 0.000) 2.196 1.808 ( -7.926 -6.199 0.000) 10.062 2.045 ( 9.677 5.901 -0.000) 11.334 2.239 ( -6.150 2.328 -0.000) 6.576 2.378 ( -5.355 -4.971 0.000) 7.307 2.516 ( -6.532 -4.739 0.000) 8.070 3.206 ( 3.318 -11.140 0.000) 11.623 3.592 ( -11.079 -10.129 0.000) 15.012 3.710 ( 2.662 -9.237 0.000) 9.613 3.901 ( -5.812 -2.049 0.000) 6.163 4.485 ( 10.070 -3.383 0.000) 10.623 4.875 ( -10.492 -3.787 0.000) 11.155 5.305 ( 12.854 7.208 -0.000) 14.737 5.809 ( -9.902 11.030 -0.000) 14.823 6.217 ( 6.341 13.609 -0.000) 15.014 6.400 ( -1.549 7.871 -0.000) 8.022 6.649 ( 2.144 -2.025 0.000) 2.950 6.813 ( -2.285 -9.214 0.000) 9.493 7.448 ( -0.399 3.726 -0.000) 3.747 7.605 ( -7.410 6.482 -0.000) 9.844 7.940 ( 12.925 8.061 -0.000) 15.233 8.350 ( -6.436 7.425 -0.000) 9.826 10.153 ( 16.456 -4.253 0.000) 16.997 10.893 ( -18.967 -5.494 0.000) 19.746 11.742 ( 3.594 -0.898 0.000) 3.705 11.862 ( -0.600 -2.136 0.000) 2.219 12.778 ( 0.159 -3.604 0.000) 3.608 12.816 ( -1.403 -4.393 0.000) 4.612 14.594 ( 8.222 2.246 -0.000) 8.523 14.934 ( -7.702 -1.601 0.000) 7.867 15.756 ( 23.205 3.560 -0.000) 23.476 16.723 ( -23.870 2.253 -0.000) 23.976 19.226 ( 5.041 2.235 -0.000) 5.515 19.348 ( -0.962 0.026 -0.000) 0.963 19.588 ( 4.375 4.463 -0.000) 6.250 19.742 ( -2.142 4.826 -0.000) 5.280 20.905 ( 0.715 -1.093 0.000) 1.306 21.082 ( -8.213 1.056 -0.000) 8.281 22.681 ( 6.023 -2.895 0.000) 6.683 22.877 ( -3.637 -6.736 0.000) 7.655 ======================= Grid point 290 (120/144) ======================= q-point: (-0.50 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -3.193 -0.323 0.000) 3.209 1.359 ( 3.193 -0.323 -0.000) 3.209 1.560 ( -15.250 -1.200 0.000) 15.297 1.560 ( 15.250 -1.200 -0.000) 15.297 2.183 ( -2.218 5.592 0.000) 6.016 2.183 ( 2.218 5.592 -0.000) 6.016 2.367 ( -2.740 -5.133 0.000) 5.818 2.367 ( 2.740 -5.133 -0.000) 5.818 3.353 ( -7.210 -9.682 0.000) 12.072 3.353 ( 7.210 -9.682 -0.000) 12.072 3.791 ( -4.682 -5.124 0.000) 6.941 3.791 ( 4.682 -5.124 0.000) 6.941 4.674 ( -6.591 -6.337 0.000) 9.143 4.674 ( 6.591 -6.337 -0.000) 9.143 5.574 ( -13.686 10.768 -0.000) 17.414 5.574 ( 13.686 10.768 -0.000) 17.414 6.329 ( -2.241 12.624 0.000) 12.822 6.329 ( 2.241 12.624 -0.000) 12.822 6.739 ( -1.267 -8.249 0.000) 8.346 6.739 ( 1.267 -8.249 -0.000) 8.346 7.481 ( -2.685 5.854 0.000) 6.441 7.481 ( 2.685 5.854 -0.000) 6.441 8.179 ( -6.606 8.417 0.000) 10.700 8.179 ( 6.606 8.417 -0.000) 10.700 10.510 ( -19.563 -5.941 0.000) 20.446 10.510 ( 19.563 -5.941 0.000) 20.446 11.819 ( -1.761 -0.955 0.000) 2.003 11.819 ( 1.761 -0.955 -0.000) 2.003 12.791 ( -0.046 -4.274 0.000) 4.274 12.791 ( 0.046 -4.274 -0.000) 4.274 14.766 ( -5.820 -0.127 0.000) 5.822 14.766 ( 5.820 -0.127 -0.000) 5.822 16.236 ( -25.375 3.300 -0.000) 25.588 16.236 ( 25.375 3.300 -0.000) 25.588 19.306 ( -2.407 0.863 0.000) 2.557 19.306 ( 2.407 0.863 -0.000) 2.557 19.679 ( -3.282 5.596 0.000) 6.487 19.679 ( 3.282 5.596 -0.000) 6.487 20.955 ( -2.720 -0.095 0.000) 2.722 20.955 ( 2.720 -0.095 -0.000) 2.722 22.791 ( -4.761 -5.362 0.000) 7.171 22.791 ( 4.761 -5.362 0.000) 7.171 ======================= Grid point 336 (121/144) ======================= q-point: ( 0.00 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 0.000 0.000 5.670) 5.670 1.566 ( 0.000 -0.000 -8.620) 8.620 1.637 ( 0.000 -0.000 -4.326) 4.326 1.686 ( 0.000 -0.000 -0.292) 0.292 2.332 ( 0.000 -0.000 -1.222) 1.222 2.350 ( 0.000 -0.000 -3.808) 3.808 2.560 ( 0.000 0.000 2.666) 2.666 2.586 ( 0.000 0.000 5.969) 5.969 3.524 ( 0.000 -0.000 -1.333) 1.333 3.550 ( 0.000 0.000 11.511) 11.511 3.575 ( 0.000 0.000 10.427) 10.427 4.471 ( 0.000 -0.000 -7.457) 7.457 4.496 ( 0.000 0.000 9.463) 9.463 4.556 ( 0.000 0.000 8.850) 8.850 4.964 ( 0.000 -0.000 -3.996) 3.996 5.763 ( 0.000 0.000 13.720) 13.720 5.854 ( 0.000 -0.000 -10.811) 10.811 6.415 ( 0.000 -0.000 -9.726) 9.726 6.772 ( 0.000 0.000 9.557) 9.557 6.985 ( 0.000 -0.000 -6.366) 6.366 7.189 ( 0.000 -0.000 -4.329) 4.329 7.478 ( 0.000 -0.000 -4.444) 4.444 7.840 ( 0.000 0.000 6.116) 6.116 8.314 ( 0.000 -0.000 -1.838) 1.838 9.788 ( 0.000 -0.000 -1.083) 1.083 10.780 ( 0.000 0.000 16.294) 16.294 11.750 ( 0.000 0.000 0.356) 0.356 11.973 ( 0.000 0.000 0.929) 0.929 12.907 ( 0.000 -0.000 -0.846) 0.846 13.025 ( 0.000 0.000 0.773) 0.773 14.553 ( 0.000 -0.000 -9.883) 9.883 15.137 ( 0.000 0.000 2.421) 2.421 15.390 ( 0.000 -0.000 -9.913) 9.913 17.194 ( 0.000 0.000 1.647) 1.647 18.958 ( 0.000 0.000 0.943) 0.943 19.437 ( 0.000 -0.000 -2.407) 2.407 19.497 ( 0.000 0.000 5.265) 5.265 19.568 ( 0.000 -0.000 -3.492) 3.492 20.849 ( 0.000 0.000 2.422) 2.422 21.517 ( 0.000 -0.000 -5.290) 5.290 22.324 ( 0.000 0.000 4.186) 4.186 23.012 ( 0.000 0.000 4.404) 4.404 ======================= Grid point 338 (122/144) ======================= q-point: ( 0.17 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 2.402 0.000 4.566) 5.159 1.446 ( -8.211 -0.000 -8.987) 12.173 1.674 ( -0.444 0.000 0.153) 0.470 1.704 ( 3.390 -0.000 -3.653) 4.983 2.287 ( -4.209 -0.000 -1.831) 4.590 2.300 ( -5.455 -0.000 -2.863) 6.160 2.490 ( -5.272 0.000 0.860) 5.342 2.590 ( -1.123 0.000 4.235) 4.381 3.431 ( -1.992 0.000 6.474) 6.773 3.576 ( 0.043 0.000 10.215) 10.215 3.744 ( 11.331 0.000 2.618) 11.629 4.320 ( -9.463 0.000 0.333) 9.468 4.541 ( 0.199 0.000 1.561) 1.574 4.596 ( 2.972 0.000 8.957) 9.438 4.962 ( 0.751 -0.000 -2.921) 3.016 5.683 ( -6.881 0.000 10.986) 12.963 5.894 ( 2.747 -0.000 -10.305) 10.664 6.350 ( -5.890 -0.000 -9.171) 10.900 6.816 ( 3.676 0.000 8.846) 9.580 6.896 ( -3.814 -0.000 -2.630) 4.633 7.370 ( 10.584 -0.000 -3.587) 11.176 7.507 ( 5.133 -0.000 -6.006) 7.900 7.740 ( -8.458 0.000 3.034) 8.986 8.319 ( -0.879 -0.000 -1.165) 1.460 9.866 ( 7.941 0.000 0.431) 7.953 10.744 ( -4.017 0.000 15.563) 16.073 11.736 ( -1.107 0.000 0.094) 1.111 11.944 ( -2.920 0.000 1.262) 3.182 12.897 ( -0.802 -0.000 -0.386) 0.890 13.002 ( -2.192 0.000 0.799) 2.333 14.613 ( 5.772 -0.000 -9.391) 11.023 15.127 ( -1.754 0.000 0.004) 1.754 15.495 ( 11.099 -0.000 -7.748) 13.536 17.057 ( -13.444 0.000 0.864) 13.472 19.009 ( 4.875 0.000 1.160) 5.011 19.458 ( 2.013 -0.000 -2.343) 3.088 19.462 ( -3.129 0.000 3.777) 4.905 19.579 ( 0.641 -0.000 -2.242) 2.332 20.862 ( 1.352 0.000 1.960) 2.382 21.402 ( -10.075 -0.000 -4.459) 11.018 22.429 ( 9.107 0.000 3.785) 9.862 22.988 ( -2.504 0.000 4.304) 4.979 ======================= Grid point 340 (123/144) ======================= q-point: ( 0.33 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -4.072 -0.000 -9.616) 10.443 1.331 ( -0.018 0.000 0.513) 0.514 1.706 ( 4.138 0.000 1.105) 4.283 1.757 ( 2.436 -0.000 -2.451) 3.456 2.149 ( -8.665 -0.000 -0.522) 8.681 2.170 ( -7.869 -0.000 -3.557) 8.636 2.420 ( -1.574 -0.000 -1.591) 2.238 2.515 ( -5.574 0.000 1.622) 5.805 3.442 ( 2.532 0.000 6.618) 7.085 3.565 ( -1.656 0.000 9.071) 9.220 3.949 ( 9.308 0.000 0.317) 9.313 4.173 ( -4.880 0.000 0.177) 4.883 4.521 ( -1.235 0.000 1.453) 1.907 4.607 ( -2.595 0.000 5.797) 6.352 5.050 ( 8.773 0.000 2.238) 9.054 5.505 ( -11.173 0.000 8.638) 14.123 5.960 ( 4.448 -0.000 -10.909) 11.781 6.213 ( -7.640 -0.000 -9.113) 11.892 6.874 ( 0.854 0.000 3.035) 3.153 6.881 ( 2.369 0.000 8.384) 8.712 7.452 ( 1.248 -0.000 -5.094) 5.245 7.578 ( -7.028 -0.000 -2.049) 7.320 7.747 ( 15.465 -0.000 -4.553) 16.122 8.239 ( -7.612 -0.000 -1.591) 7.777 10.082 ( 13.656 0.000 4.043) 14.242 10.609 ( -10.009 0.000 12.787) 16.238 11.730 ( 0.984 0.000 0.343) 1.042 11.868 ( -4.617 0.000 1.680) 4.913 12.888 ( 0.125 0.000 0.475) 0.492 12.951 ( -2.718 0.000 0.915) 2.868 14.758 ( 8.523 -0.000 -8.013) 11.698 15.056 ( -5.399 -0.000 -3.408) 6.385 15.809 ( 20.345 -0.000 -4.915) 20.930 16.705 ( -21.748 -0.000 -0.893) 21.766 19.130 ( 7.064 0.000 1.602) 7.243 19.382 ( -5.018 0.000 2.805) 5.749 19.506 ( 2.701 -0.000 -2.220) 3.496 19.580 ( -0.627 -0.000 -1.914) 2.015 20.909 ( 3.692 0.000 0.659) 3.750 21.190 ( -10.602 -0.000 -3.017) 11.023 22.621 ( 9.765 0.000 3.647) 10.424 22.915 ( -5.033 0.000 4.065) 6.470 ======================= Grid point 342 (124/144) ======================= q-point: (-0.50 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -0.699 -0.000 -5.764) 5.806 1.303 ( 0.699 -0.000 -5.764) 5.806 1.787 ( -0.695 0.000 -0.550) 0.886 1.787 ( 0.695 0.000 -0.550) 0.886 2.045 ( -0.072 0.000 -1.887) 1.888 2.045 ( 0.072 0.000 -1.887) 1.888 2.429 ( -0.992 0.000 -0.771) 1.256 2.429 ( 0.992 0.000 -0.771) 1.256 3.508 ( -2.306 0.000 7.168) 7.530 3.508 ( 2.306 0.000 7.168) 7.530 4.092 ( -4.710 0.000 -0.314) 4.720 4.092 ( 4.710 0.000 -0.314) 4.720 4.535 ( -0.889 0.000 2.912) 3.045 4.535 ( 0.889 0.000 2.912) 3.045 5.268 ( -10.725 0.000 6.169) 12.373 5.268 ( 10.725 0.000 6.169) 12.373 6.070 ( -2.789 -0.000 -9.811) 10.199 6.070 ( 2.789 -0.000 -9.811) 10.199 6.897 ( -0.020 0.000 7.000) 7.000 6.897 ( 0.020 0.000 7.000) 7.000 7.484 ( -1.960 -0.000 -5.343) 5.691 7.484 ( 1.960 -0.000 -5.343) 5.691 8.032 ( -9.672 0.000 -2.837) 10.079 8.032 ( 9.672 0.000 -2.837) 10.079 10.365 ( -14.404 0.000 8.430) 16.690 10.365 ( 14.404 0.000 8.430) 16.690 11.780 ( -2.342 0.000 1.316) 2.687 11.780 ( 2.342 0.000 1.316) 2.687 12.906 ( -0.206 0.000 0.937) 0.959 12.906 ( 0.206 0.000 0.937) 0.959 14.923 ( -8.018 -0.000 -5.971) 9.997 14.923 ( 8.018 -0.000 -5.971) 9.997 16.250 ( -23.459 -0.000 -2.858) 23.632 16.250 ( 23.459 -0.000 -2.858) 23.632 19.267 ( -6.325 0.000 2.158) 6.683 19.267 ( 6.325 0.000 2.158) 6.683 19.554 ( -1.402 0.000 -2.077) 2.506 19.554 ( 1.402 0.000 -2.077) 2.506 21.014 ( -6.864 -0.000 -1.185) 6.965 21.014 ( 6.864 -0.000 -1.185) 6.965 22.792 ( -7.547 0.000 3.812) 8.456 22.792 ( 7.547 0.000 3.812) 8.456 ======================= Grid point 350 (125/144) ======================= q-point: ( 0.00 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.000 -3.460 1.566) 3.798 1.423 ( 0.000 0.917 -4.830) 4.916 1.485 ( 0.000 -1.655 -11.576) 11.694 1.720 ( 0.000 -1.558 4.507) 4.769 2.246 ( 0.000 -4.761 -1.587) 5.018 2.349 ( 0.000 5.626 -2.460) 6.140 2.620 ( 0.000 0.856 3.047) 3.165 2.681 ( 0.000 0.694 4.527) 4.580 3.485 ( 0.000 -7.492 2.378) 7.860 3.750 ( 0.000 -1.451 9.128) 9.243 3.775 ( 0.000 -3.041 15.449) 15.745 4.327 ( 0.000 -3.639 -7.361) 8.212 4.607 ( 0.000 -9.221 4.691) 10.345 4.745 ( 0.000 9.916 6.266) 11.730 4.929 ( 0.000 9.939 -3.332) 10.483 5.660 ( 0.000 -1.150 -9.436) 9.506 5.946 ( 0.000 -4.311 9.079) 10.051 6.295 ( 0.000 -0.038 -2.519) 2.519 6.859 ( 0.000 0.724 -8.131) 8.163 6.912 ( 0.000 0.024 5.753) 5.753 7.144 ( 0.000 0.960 -0.804) 1.253 7.422 ( 0.000 3.403 -4.115) 5.339 7.936 ( 0.000 -0.274 4.667) 4.675 8.293 ( 0.000 1.931 -1.763) 2.615 9.771 ( 0.000 0.125 -0.714) 0.725 11.039 ( 0.000 -1.385 14.014) 14.083 11.750 ( 0.000 0.170 -0.387) 0.422 11.973 ( 0.000 -1.700 0.047) 1.700 12.869 ( 0.000 -6.696 0.730) 6.735 13.035 ( 0.000 6.895 -4.048) 7.995 14.399 ( 0.000 1.323 -8.208) 8.314 15.176 ( 0.000 0.275 1.833) 1.853 15.260 ( 0.000 -0.218 -5.119) 5.123 17.205 ( 0.000 0.273 -0.156) 0.315 18.979 ( 0.000 0.189 1.273) 1.287 19.395 ( 0.000 -0.965 -1.516) 1.797 19.518 ( 0.000 0.544 -2.554) 2.611 19.589 ( 0.000 1.802 3.973) 4.362 20.899 ( 0.000 -0.269 3.102) 3.114 21.428 ( 0.000 -0.597 -4.451) 4.491 22.387 ( 0.000 0.177 3.064) 3.069 23.072 ( 0.000 -1.166 3.017) 3.235 ======================= Grid point 351 (126/144) ======================= q-point: ( 0.17 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -8.206 -2.707 -8.378) 12.036 1.385 ( 0.849 -0.577 4.804) 4.913 1.579 ( 5.246 -1.100 -9.747) 11.124 1.716 ( 0.209 -0.133 4.156) 4.164 2.188 ( -5.819 -5.435 -1.846) 8.174 2.300 ( -4.540 5.780 -3.590) 8.180 2.513 ( -7.960 -2.094 2.779) 8.687 2.675 ( -2.735 3.083 3.226) 5.234 3.499 ( 1.018 -7.376 4.341) 8.619 3.701 ( -1.330 -7.968 12.300) 14.715 3.896 ( 7.699 4.554 9.041) 12.718 4.259 ( -5.806 -3.034 -4.341) 7.859 4.572 ( -3.106 -7.612 1.991) 8.459 4.788 ( 1.955 11.112 5.997) 12.777 4.936 ( 2.851 6.096 -2.342) 7.125 5.651 ( -1.446 -1.107 -9.457) 9.631 5.891 ( -4.599 -4.183 8.601) 10.612 6.240 ( -5.277 1.677 -2.650) 6.139 6.801 ( -0.803 -3.650 -4.022) 5.490 6.968 ( 3.779 3.063 3.725) 6.127 7.331 ( 12.980 0.230 -0.634) 12.997 7.422 ( 1.629 2.600 -4.972) 5.842 7.793 ( -11.697 1.604 1.763) 11.938 8.308 ( -0.733 1.346 -1.044) 1.854 9.872 ( 10.102 -0.040 0.460) 10.112 10.986 ( -5.821 -1.393 12.874) 14.197 11.735 ( -0.979 -0.043 -0.114) 0.987 11.954 ( -1.973 -1.154 0.573) 2.356 12.863 ( -0.513 -6.522 0.841) 6.596 13.017 ( -1.615 6.401 -3.416) 7.433 14.467 ( 6.590 1.060 -7.632) 10.139 15.117 ( -4.494 0.225 -0.988) 4.607 15.406 ( 13.063 0.086 -3.024) 13.408 17.058 ( -14.444 0.347 -0.680) 14.464 19.033 ( 5.137 0.176 1.440) 5.338 19.413 ( 1.503 -1.576 -1.315) 2.544 19.494 ( -2.043 1.357 -1.331) 2.790 19.589 ( -0.232 1.765 2.300) 2.908 20.902 ( 0.442 -0.369 2.619) 2.681 21.326 ( -8.949 -0.557 -3.749) 9.719 22.486 ( 8.741 0.012 2.802) 9.179 23.047 ( -2.612 -1.095 2.952) 4.091 ======================= Grid point 352 (127/144) ======================= q-point: ( 0.33 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -2.094 -2.203 -6.513) 7.187 1.369 ( -3.624 -0.205 3.914) 5.338 1.669 ( 4.069 -1.225 -6.852) 8.063 1.754 ( 3.526 1.682 2.467) 4.620 2.051 ( -7.044 -5.213 -2.853) 9.216 2.178 ( -7.762 5.693 -3.018) 10.088 2.395 ( -2.932 -1.471 -0.276) 3.292 2.558 ( -8.303 3.125 1.182) 8.950 3.522 ( 1.566 -9.890 6.703) 12.050 3.685 ( -1.115 -8.243 11.847) 14.476 4.008 ( 2.394 1.856 0.590) 3.086 4.185 ( -0.156 0.841 3.940) 4.032 4.514 ( -1.903 -3.681 -1.757) 4.500 4.753 ( -4.101 14.536 1.988) 15.234 5.091 ( 11.213 -0.262 2.126) 11.415 5.557 ( -8.619 -0.155 -3.939) 9.478 5.842 ( 0.536 -5.613 2.908) 6.345 6.118 ( -6.388 4.473 -2.958) 8.340 6.848 ( 4.317 -7.334 1.148) 8.587 7.040 ( 3.047 4.193 3.157) 6.069 7.381 ( -0.692 2.831 -4.317) 5.209 7.530 ( -8.116 -0.966 -2.815) 8.645 7.704 ( 13.769 3.466 -2.095) 14.352 8.221 ( -8.123 1.571 -1.398) 8.390 10.140 ( 16.613 -0.445 2.954) 16.880 10.798 ( -13.480 -1.275 9.536) 16.561 11.740 ( 1.929 -0.347 1.125) 2.260 11.896 ( -3.949 -0.282 1.476) 4.225 12.854 ( -0.318 -6.352 0.866) 6.419 12.985 ( -1.438 5.735 -2.053) 6.259 14.634 ( 9.961 0.503 -6.194) 11.741 15.002 ( -7.370 0.221 -2.636) 7.831 15.746 ( 21.294 0.506 -2.911) 21.498 16.683 ( -22.987 0.547 -1.757) 23.061 19.158 ( 7.207 -0.045 1.636) 7.391 19.403 ( -3.760 -1.909 0.658) 4.268 19.483 ( 1.891 2.074 -1.631) 3.246 19.574 ( -1.405 1.916 0.120) 2.379 20.924 ( 2.100 -0.612 1.310) 2.550 21.140 ( -9.052 -0.513 -2.315) 9.357 22.674 ( 9.720 -0.312 2.646) 10.079 22.971 ( -5.164 -0.896 2.808) 5.947 ======================= Grid point 353 (128/144) ======================= q-point: (-0.50 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 -3.778 -1.115) 3.939 1.269 ( -0.000 2.945 -0.949) 3.094 1.731 ( 0.000 -2.656 -3.388) 4.305 1.785 ( 0.000 2.259 -3.020) 3.772 1.988 ( 0.000 -1.843 0.532) 1.918 2.061 ( 0.000 4.476 -2.839) 5.300 2.401 ( 0.000 0.338 -0.690) 0.768 2.430 ( -0.000 1.614 -1.648) 2.307 3.546 ( 0.000 -13.301 7.473) 15.257 3.663 ( 0.000 -4.409 11.526) 12.340 4.022 ( 0.000 -5.997 -3.974) 7.195 4.198 ( 0.000 3.296 8.053) 8.701 4.508 ( 0.000 1.193 -3.339) 3.545 4.695 ( -0.000 15.581 1.998) 15.708 5.279 ( 0.000 -6.871 1.022) 6.947 5.393 ( -0.000 5.351 1.352) 5.519 5.866 ( 0.000 -9.209 -1.294) 9.300 6.040 ( 0.000 8.156 -2.331) 8.483 6.906 ( 0.000 -10.448 6.115) 12.106 7.070 ( 0.000 6.034 2.057) 6.375 7.388 ( 0.000 1.460 -5.364) 5.559 7.405 ( -0.000 3.506 -6.261) 7.176 7.957 ( 0.000 -2.670 -0.586) 2.734 8.039 ( -0.000 5.577 -2.817) 6.248 10.482 ( 0.000 -1.159 5.986) 6.097 10.486 ( -0.000 -0.670 5.834) 5.872 11.793 ( -0.000 -1.750 2.432) 2.996 11.823 ( 0.000 1.352 1.334) 1.899 12.851 ( 0.000 -6.364 0.760) 6.409 12.970 ( 0.000 5.557 -1.298) 5.706 14.822 ( -0.000 -0.898 -4.589) 4.676 14.842 ( 0.000 1.336 -4.180) 4.388 16.194 ( -0.000 -0.409 -2.002) 2.043 16.217 ( 0.000 1.750 -3.245) 3.687 19.285 ( 0.000 -1.621 1.582) 2.265 19.309 ( 0.000 0.565 1.427) 1.535 19.520 ( -0.000 0.463 -1.199) 1.285 19.545 ( 0.000 2.790 -1.245) 3.056 20.985 ( -0.000 -1.765 -0.344) 1.798 21.007 ( 0.000 0.517 -0.642) 0.824 22.842 ( -0.000 -1.046 2.752) 2.944 22.850 ( 0.000 -0.213 2.620) 2.628 ======================= Grid point 357 (129/144) ======================= q-point: ( 0.00 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 0.000 -7.585 -5.210) 9.202 1.262 ( 0.000 -4.238 -9.039) 9.983 1.463 ( 0.000 2.033 2.224) 3.013 1.789 ( 0.000 -2.227 4.913) 5.395 2.181 ( 0.000 -5.127 -1.203) 5.267 2.378 ( 0.000 7.345 -1.180) 7.439 2.669 ( 0.000 0.609 1.534) 1.650 2.749 ( 0.000 -0.240 2.661) 2.671 3.469 ( 0.000 -9.330 4.958) 10.565 3.854 ( 0.000 -4.194 6.001) 7.321 3.992 ( 0.000 -6.095 13.631) 14.932 4.135 ( 0.000 -7.697 -8.166) 11.222 4.456 ( 0.000 -14.186 -5.990) 15.398 4.915 ( 0.000 8.253 1.761) 8.439 5.045 ( 0.000 11.736 1.890) 11.887 5.567 ( 0.000 7.791 -3.567) 8.569 6.006 ( 0.000 -7.547 5.794) 9.515 6.300 ( 0.000 2.246 -0.799) 2.383 6.757 ( 0.000 3.881 -4.690) 6.087 6.954 ( 0.000 -4.629 2.098) 5.082 7.186 ( 0.000 5.770 1.079) 5.870 7.399 ( 0.000 4.720 -3.005) 5.596 7.985 ( 0.000 -2.123 2.203) 3.059 8.290 ( 0.000 3.187 -1.370) 3.469 9.771 ( 0.000 1.054 0.052) 1.056 11.230 ( 0.000 -1.078 9.294) 9.356 11.742 ( 0.000 0.133 -0.674) 0.687 11.946 ( 0.000 -3.388 -0.185) 3.394 12.824 ( 0.000 -4.788 1.194) 4.934 13.002 ( 0.000 3.389 -5.882) 6.788 14.308 ( 0.000 3.015 -4.568) 5.474 15.196 ( 0.000 -1.469 -1.753) 2.287 15.203 ( 0.000 0.245 0.897) 0.930 17.207 ( 0.000 1.589 -0.376) 1.632 19.003 ( 0.000 0.600 0.966) 1.137 19.367 ( 0.000 -0.932 -0.748) 1.195 19.492 ( 0.000 1.156 -1.374) 1.796 19.663 ( 0.000 2.381 2.108) 3.180 20.940 ( 0.000 -0.878 2.065) 2.244 21.359 ( 0.000 -0.822 -2.547) 2.677 22.436 ( 0.000 1.009 1.849) 2.106 23.092 ( 0.000 -2.818 1.432) 3.161 ======================= Grid point 358 (130/144) ======================= q-point: ( 0.17 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -5.506 -5.915 -2.850) 8.569 1.352 ( 6.224 -4.365 -8.813) 11.639 1.471 ( 0.775 0.425 1.761) 1.970 1.794 ( 0.926 -0.519 4.565) 4.687 2.122 ( -6.315 -4.196 -1.052) 7.655 2.298 ( -6.526 5.694 -2.488) 9.011 2.543 ( -9.510 -1.223 2.282) 9.856 2.740 ( -3.182 1.557 1.262) 3.760 3.481 ( 0.932 -11.279 5.082) 12.406 3.842 ( -0.879 -5.292 9.938) 11.294 4.029 ( -1.433 -4.238 1.209) 4.635 4.158 ( 5.605 -5.473 1.277) 7.937 4.423 ( -2.543 -11.401 -6.448) 13.343 4.954 ( 2.369 6.557 1.334) 7.098 5.013 ( -1.264 10.526 1.080) 10.656 5.554 ( -1.594 7.369 -3.381) 8.263 5.965 ( -3.484 -5.595 6.065) 8.957 6.279 ( -3.293 5.202 0.715) 6.198 6.691 ( -1.136 -0.773 -4.789) 4.983 7.012 ( 3.689 -3.032 1.496) 5.003 7.355 ( 12.770 3.500 0.610) 13.255 7.388 ( -0.078 4.848 -2.776) 5.587 7.825 ( -12.726 1.031 0.427) 12.775 8.308 ( -0.763 2.124 -0.853) 2.413 9.885 ( 11.258 0.622 0.662) 11.295 11.156 ( -8.014 -1.170 8.111) 11.462 11.731 ( -0.271 -0.323 -0.108) 0.435 11.943 ( -0.675 -2.447 0.131) 2.541 12.823 ( -0.084 -4.753 1.477) 4.978 12.988 ( -1.176 2.868 -5.402) 6.228 14.381 ( 7.118 2.515 -4.117) 8.599 15.103 ( -5.285 -0.339 -0.518) 5.322 15.374 ( 13.103 -0.217 -0.948) 13.139 17.053 ( -15.063 1.541 -0.688) 15.157 19.060 ( 5.290 0.622 1.086) 5.436 19.382 ( 1.228 -1.328 -0.692) 1.937 19.483 ( -0.720 1.654 -1.201) 2.167 19.650 ( -1.356 2.685 1.701) 3.456 20.935 ( -0.352 -0.988 1.775) 2.062 21.268 ( -8.043 -0.733 -2.132) 8.353 22.527 ( 8.216 0.503 1.672) 8.400 23.066 ( -2.567 -2.651 1.408) 3.950 ======================= Grid point 359 (131/144) ======================= q-point: ( 0.33 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 3.007 -3.425 1.565) 4.819 1.442 ( -1.672 -2.229 3.690) 4.624 1.506 ( 5.801 -1.081 -8.334) 10.211 1.817 ( -1.647 2.370 2.064) 3.548 1.969 ( -4.917 -1.222 -2.570) 5.681 2.177 ( -6.104 3.852 -2.167) 7.537 2.385 ( -4.773 -1.392 0.740) 5.027 2.602 ( -10.349 2.966 0.216) 10.767 3.512 ( 2.599 -13.801 6.521) 15.483 3.824 ( -1.077 -9.027 12.558) 15.504 3.935 ( -6.179 -5.084 -4.711) 9.286 4.226 ( -1.438 -12.014 -1.905) 12.249 4.464 ( 7.897 6.213 0.147) 10.049 4.897 ( -4.928 11.879 -1.795) 12.985 5.115 ( 8.248 0.232 1.458) 8.379 5.487 ( -5.553 4.580 -3.015) 7.804 5.913 ( -1.136 -0.734 7.036) 7.165 6.174 ( -5.989 8.072 0.321) 10.056 6.775 ( 8.288 -5.459 -1.705) 10.070 7.071 ( 1.756 -3.530 0.779) 4.019 7.355 ( -1.649 4.114 -2.941) 5.319 7.483 ( -8.444 1.180 -2.073) 8.774 7.734 ( 11.382 5.872 -0.123) 12.808 8.221 ( -8.024 2.590 -0.974) 8.488 10.179 ( 18.066 -0.225 1.879) 18.165 10.915 ( -16.301 -1.278 5.457) 17.238 11.757 ( 2.898 -0.663 1.110) 3.173 11.909 ( -2.889 -1.118 0.744) 3.185 12.822 ( 0.026 -4.670 2.129) 5.133 12.966 ( -0.918 2.054 -4.670) 5.184 14.562 ( 10.810 1.259 -3.060) 11.305 14.972 ( -8.365 -0.081 -1.114) 8.439 15.714 ( 21.342 0.878 -1.601) 21.420 16.664 ( -23.631 1.567 -1.299) 23.719 19.184 ( 6.838 0.177 1.154) 6.937 19.384 ( -1.876 -2.015 -0.225) 2.763 19.486 ( 1.730 2.940 -0.848) 3.515 19.609 ( -2.799 3.340 0.603) 4.399 20.937 ( 0.808 -1.199 1.037) 1.779 21.103 ( -7.829 -0.748 -1.284) 7.969 22.706 ( 9.310 -0.496 1.480) 9.440 22.992 ( -5.027 -2.178 1.366) 5.646 ======================= Grid point 360 (132/144) ======================= q-point: (-0.50 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 -2.869 7.327) 7.869 1.327 ( -0.000 1.629 4.451) 4.740 1.626 ( 0.000 -0.190 -6.944) 6.947 1.695 ( 0.000 0.909 -8.593) 8.641 2.013 ( 0.000 1.827 2.146) 2.818 2.066 ( -0.000 3.563 -0.897) 3.674 2.407 ( 0.000 2.390 -0.618) 2.469 2.413 ( -0.000 0.020 -0.893) 0.894 3.556 ( 0.000 -13.706 9.355) 16.594 3.799 ( 0.000 -15.792 12.267) 19.997 3.864 ( 0.000 -2.428 -6.647) 7.077 4.200 ( 0.000 -12.832 -5.078) 13.800 4.579 ( 0.000 12.051 5.013) 13.052 4.829 ( 0.000 12.014 -4.609) 12.868 5.241 ( 0.000 -2.302 3.007) 3.787 5.386 ( 0.000 2.358 -4.460) 5.045 5.911 ( 0.000 2.182 8.618) 8.890 6.103 ( 0.000 8.613 -1.533) 8.748 6.907 ( 0.000 -9.687 5.439) 11.109 7.063 ( 0.000 -2.762 -3.967) 4.833 7.344 ( 0.000 4.375 -3.053) 5.335 7.351 ( -0.000 5.164 -4.370) 6.765 7.965 ( 0.000 1.877 1.799) 2.600 8.044 ( -0.000 5.368 -2.808) 6.058 10.553 ( 0.000 -1.059 3.488) 3.645 10.557 ( -0.000 -0.853 3.202) 3.314 11.819 ( -0.000 -1.434 2.143) 2.578 11.847 ( 0.000 0.115 0.470) 0.484 12.823 ( 0.000 -4.621 2.507) 5.257 12.956 ( 0.000 1.739 -4.415) 4.745 14.761 ( -0.000 -0.810 -1.252) 1.491 14.799 ( 0.000 1.408 -2.742) 3.082 16.172 ( -0.000 1.462 -1.188) 1.883 16.182 ( 0.000 1.575 -2.239) 2.737 19.295 ( 0.000 -1.347 1.287) 1.863 19.321 ( 0.000 -0.527 0.007) 0.527 19.529 ( 0.000 2.857 0.319) 2.874 19.559 ( -0.000 3.854 -1.072) 4.001 20.970 ( -0.000 -1.759 0.572) 1.850 20.997 ( 0.000 -0.356 -0.783) 0.860 22.866 ( -0.000 -1.693 1.626) 2.348 22.876 ( 0.000 -1.207 1.139) 1.660 ======================= Grid point 364 (133/144) ======================= q-point: ( 0.00 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.000 -10.173 0.000) 10.173 1.130 ( 0.000 -6.270 0.000) 6.270 1.505 ( 0.000 2.626 -0.000) 2.626 1.821 ( 0.000 -1.748 0.000) 1.748 2.100 ( 0.000 -7.916 0.000) 7.916 2.451 ( 0.000 9.184 -0.000) 9.184 2.678 ( 0.000 -1.686 0.000) 1.686 2.755 ( 0.000 -3.644 0.000) 3.644 3.422 ( 0.000 -14.440 0.000) 14.440 3.877 ( 0.000 -0.324 0.000) 0.324 3.962 ( 0.000 -8.644 0.000) 8.644 4.063 ( 0.000 -10.702 0.000) 10.702 4.240 ( 0.000 -10.756 0.000) 10.756 4.970 ( 0.000 2.397 -0.000) 2.397 5.161 ( 0.000 7.030 -0.000) 7.030 5.675 ( 0.000 17.135 -0.000) 17.135 6.002 ( 0.000 -4.854 0.000) 4.854 6.295 ( 0.000 1.470 -0.000) 1.470 6.782 ( 0.000 7.056 -0.000) 7.056 6.912 ( 0.000 -7.630 0.000) 7.630 7.263 ( 0.000 7.420 -0.000) 7.420 7.418 ( 0.000 5.108 -0.000) 5.108 7.975 ( 0.000 -3.326 0.000) 3.326 8.313 ( 0.000 4.465 -0.000) 4.465 9.786 ( 0.000 1.436 -0.000) 1.436 11.317 ( 0.000 0.127 -0.000) 0.127 11.735 ( 0.000 0.027 -0.000) 0.027 11.905 ( 0.000 -4.673 0.000) 4.673 12.824 ( 0.000 -1.424 0.000) 1.424 12.922 ( 0.000 -2.568 0.000) 2.568 14.304 ( 0.000 4.308 -0.000) 4.308 15.161 ( 0.000 -2.643 0.000) 2.643 15.212 ( 0.000 0.069 -0.000) 0.069 17.227 ( 0.000 3.052 -0.000) 3.052 19.020 ( 0.000 0.996 -0.000) 0.996 19.351 ( 0.000 -1.067 0.000) 1.067 19.493 ( 0.000 1.553 -0.000) 1.553 19.707 ( 0.000 2.998 -0.000) 2.998 20.948 ( 0.000 -1.322 0.000) 1.322 21.329 ( 0.000 -0.664 0.000) 0.664 22.468 ( 0.000 1.913 -0.000) 1.913 23.068 ( 0.000 -4.524 0.000) 4.524 ======================= Grid point 365 (134/144) ======================= q-point: ( 0.17 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -1.516 -8.168 0.000) 8.307 1.205 ( 6.436 -5.366 0.000) 8.379 1.494 ( -0.632 0.017 -0.000) 0.632 1.841 ( 2.474 0.509 -0.000) 2.526 2.057 ( -4.726 -6.456 0.000) 8.001 2.339 ( -9.560 7.016 -0.000) 11.859 2.554 ( -9.441 -1.188 0.000) 9.516 2.741 ( -2.955 -3.462 0.000) 4.552 3.429 ( 0.435 -13.020 0.000) 13.027 3.897 ( -0.040 -6.343 0.000) 6.343 3.911 ( -3.436 -7.042 0.000) 7.836 4.112 ( -1.348 -13.932 0.000) 13.997 4.278 ( 8.628 -1.880 0.000) 8.830 4.988 ( 1.138 1.413 -0.000) 1.814 5.117 ( -2.950 6.873 -0.000) 7.479 5.659 ( -2.323 16.091 -0.000) 16.258 5.991 ( -0.501 -1.222 0.000) 1.320 6.315 ( 0.566 2.730 -0.000) 2.789 6.663 ( -5.133 2.771 -0.000) 5.833 6.974 ( 3.377 -6.730 0.000) 7.530 7.392 ( 1.826 4.485 -0.000) 4.842 7.431 ( 9.025 7.058 -0.000) 11.457 7.833 ( -11.061 0.458 -0.000) 11.071 8.325 ( -0.904 3.292 -0.000) 3.414 9.900 ( 11.237 0.757 -0.000) 11.262 11.228 ( -9.555 -0.389 0.000) 9.563 11.725 ( 0.071 -0.688 0.000) 0.692 11.914 ( 0.400 -3.382 0.000) 3.406 12.826 ( 0.239 -1.729 0.000) 1.745 12.911 ( -1.092 -2.662 0.000) 2.877 14.376 ( 6.956 3.673 -0.000) 7.866 15.090 ( -5.149 -1.283 0.000) 5.306 15.363 ( 13.225 -0.210 0.000) 13.226 17.068 ( -15.462 2.728 -0.000) 15.701 19.079 ( 5.373 1.183 -0.000) 5.502 19.363 ( 0.981 -1.249 0.000) 1.588 19.490 ( -0.043 2.056 -0.000) 2.057 19.695 ( -1.363 3.374 -0.000) 3.639 20.939 ( -0.680 -1.425 0.000) 1.579 21.242 ( -7.682 -0.557 0.000) 7.702 22.550 ( 7.458 0.985 -0.000) 7.523 23.045 ( -2.378 -4.284 0.000) 4.900 ======================= Grid point 366 (135/144) ======================= q-point: ( 0.33 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 8.728 -2.029 0.000) 8.961 1.356 ( 8.342 -3.020 0.000) 8.871 1.487 ( -0.801 -2.528 0.000) 2.652 1.850 ( -11.440 0.944 -0.000) 11.479 1.959 ( 3.959 2.716 -0.000) 4.801 2.188 ( -4.972 2.956 -0.000) 5.784 2.386 ( -6.021 -0.162 0.000) 6.023 2.616 ( -9.861 -0.694 0.000) 9.886 3.455 ( 3.501 -13.722 0.000) 14.162 3.800 ( -8.314 -9.310 0.000) 12.482 3.902 ( 0.259 -9.673 0.000) 9.677 4.000 ( -6.284 -11.275 0.000) 12.908 4.531 ( 13.870 1.402 -0.000) 13.941 4.929 ( -6.733 0.989 -0.000) 6.805 5.164 ( 7.640 6.106 -0.000) 9.780 5.555 ( -8.425 12.075 -0.000) 14.723 6.015 ( 3.406 5.837 -0.000) 6.758 6.248 ( -6.633 7.651 -0.000) 10.126 6.712 ( 9.002 -4.191 0.000) 9.930 7.014 ( -0.284 -8.854 0.000) 8.859 7.366 ( -1.672 4.344 -0.000) 4.655 7.492 ( -8.309 4.373 -0.000) 9.389 7.798 ( 11.239 6.810 -0.000) 13.142 8.241 ( -7.554 3.809 -0.000) 8.460 10.194 ( 18.144 -0.518 0.000) 18.151 10.954 ( -17.716 -1.392 0.000) 17.771 11.760 ( 3.340 -0.854 0.000) 3.448 11.900 ( -2.077 -1.737 0.000) 2.708 12.837 ( 0.893 -2.297 0.000) 2.464 12.886 ( -1.380 -2.725 0.000) 3.055 14.552 ( 10.559 1.930 -0.000) 10.734 14.958 ( -8.520 -0.765 0.000) 8.555 15.710 ( 21.770 1.418 -0.000) 21.816 16.673 ( -23.942 2.448 -0.000) 24.067 19.199 ( 6.273 0.688 -0.000) 6.310 19.365 ( -1.456 -1.499 0.000) 2.090 19.510 ( 2.543 3.519 -0.000) 4.342 19.652 ( -3.064 4.209 -0.000) 5.206 20.933 ( 0.441 -1.504 0.000) 1.568 21.083 ( -7.576 -0.736 0.000) 7.611 22.714 ( 8.505 -0.819 0.000) 8.544 22.976 ( -4.645 -3.594 0.000) 5.873 ======================= Grid point 367 (136/144) ======================= q-point: (-0.50 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -6.501 -0.132 0.000) 6.503 1.354 ( 6.501 -0.132 -0.000) 6.503 1.566 ( -8.767 0.426 0.000) 8.778 1.566 ( 8.767 0.426 -0.000) 8.778 2.084 ( -4.779 4.321 0.000) 6.443 2.084 ( 4.779 4.321 -0.000) 6.443 2.411 ( -8.091 0.238 0.000) 8.094 2.411 ( 8.091 0.238 -0.000) 8.094 3.595 ( -3.840 -13.677 0.000) 14.206 3.595 ( 3.840 -13.677 0.000) 14.206 3.924 ( -0.155 -9.276 0.000) 9.277 3.924 ( 0.155 -9.276 -0.000) 9.277 4.766 ( -4.261 0.688 0.000) 4.317 4.766 ( 4.261 0.688 -0.000) 4.317 5.356 ( -7.189 8.501 0.000) 11.133 5.356 ( 7.189 8.501 -0.000) 11.133 6.115 ( -1.875 8.727 0.000) 8.926 6.115 ( 1.875 8.727 -0.000) 8.926 6.916 ( -4.484 -8.538 0.000) 9.644 6.916 ( 4.484 -8.538 -0.000) 9.644 7.365 ( -2.637 5.755 -0.000) 6.330 7.365 ( 2.637 5.755 -0.000) 6.330 8.045 ( -9.599 5.402 0.000) 11.015 8.045 ( 9.599 5.402 -0.000) 11.015 10.576 ( -20.295 -1.438 0.000) 20.345 10.576 ( 20.295 -1.438 0.000) 20.345 11.837 ( -2.980 -0.932 0.000) 3.122 11.837 ( 2.980 -0.932 -0.000) 3.122 12.859 ( -0.100 -2.632 0.000) 2.634 12.859 ( 0.100 -2.632 -0.000) 2.634 14.765 ( -9.491 0.196 0.000) 9.493 14.765 ( 9.491 0.196 -0.000) 9.493 16.180 ( -25.677 2.318 -0.000) 25.782 16.180 ( 25.677 2.318 -0.000) 25.782 19.305 ( -3.684 -0.663 0.000) 3.743 19.305 ( 3.684 -0.663 -0.000) 3.743 19.580 ( -3.059 4.481 0.000) 5.426 19.580 ( 3.059 4.481 -0.000) 5.426 20.971 ( -2.656 -1.226 0.000) 2.925 20.971 ( 2.656 -1.226 -0.000) 2.925 22.864 ( -6.681 -2.447 0.000) 7.115 22.864 ( 6.681 -2.447 0.000) 7.115 ======================= Grid point 427 (137/144) ======================= q-point: ( 0.00 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.000 -0.000 -5.205) 5.205 1.300 ( 0.000 -0.000 -9.287) 9.287 1.438 ( 0.000 0.000 2.786) 2.786 1.815 ( 0.000 0.000 4.632) 4.632 2.261 ( 0.000 -0.000 -0.645) 0.645 2.271 ( 0.000 -0.000 -1.820) 1.820 2.657 ( 0.000 0.000 1.604) 1.604 2.742 ( 0.000 0.000 2.793) 2.793 3.539 ( 0.000 0.000 1.020) 1.020 3.943 ( 0.000 0.000 9.945) 9.945 4.054 ( 0.000 0.000 13.795) 13.795 4.231 ( 0.000 -0.000 -6.617) 6.617 4.724 ( 0.000 -0.000 -8.818) 8.818 4.781 ( 0.000 0.000 3.576) 3.576 4.794 ( 0.000 0.000 5.629) 5.629 5.508 ( 0.000 -0.000 -7.210) 7.210 6.119 ( 0.000 0.000 7.115) 7.115 6.259 ( 0.000 -0.000 -0.736) 0.736 6.715 ( 0.000 -0.000 -7.196) 7.196 6.992 ( 0.000 0.000 3.091) 3.091 7.130 ( 0.000 -0.000 -0.049) 0.049 7.347 ( 0.000 -0.000 -2.499) 2.499 8.007 ( 0.000 0.000 2.868) 2.868 8.259 ( 0.000 -0.000 -1.052) 1.052 9.758 ( 0.000 -0.000 -0.420) 0.420 11.240 ( 0.000 0.000 8.128) 8.128 11.741 ( 0.000 -0.000 -0.545) 0.545 11.980 ( 0.000 -0.000 -0.133) 0.133 12.895 ( 0.000 -0.000 -5.145) 5.145 12.945 ( 0.000 0.000 1.637) 1.637 14.277 ( 0.000 -0.000 -4.781) 4.781 15.200 ( 0.000 0.000 0.999) 0.999 15.211 ( 0.000 -0.000 -1.259) 1.259 17.191 ( 0.000 -0.000 -0.849) 0.849 18.997 ( 0.000 0.000 0.870) 0.870 19.376 ( 0.000 -0.000 -0.984) 0.984 19.480 ( 0.000 -0.000 -1.401) 1.401 19.639 ( 0.000 0.000 2.405) 2.405 20.949 ( 0.000 0.000 2.239) 2.239 21.368 ( 0.000 -0.000 -2.595) 2.595 22.425 ( 0.000 0.000 1.513) 1.513 23.119 ( 0.000 0.000 1.592) 1.592 ======================= Grid point 429 (138/144) ======================= q-point: ( 0.17 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -6.085 -0.000 -2.444) 6.557 1.398 ( 5.488 -0.000 -10.624) 11.958 1.465 ( 2.066 0.000 3.377) 3.959 1.803 ( -0.867 0.000 4.880) 4.957 2.182 ( -8.466 -0.000 -3.472) 9.150 2.218 ( -4.087 -0.000 -0.588) 4.129 2.561 ( -8.235 0.000 1.509) 8.373 2.707 ( -4.468 0.000 2.118) 4.945 3.581 ( 3.763 0.000 1.665) 4.115 3.936 ( -1.115 0.000 9.232) 9.299 4.074 ( 2.197 0.000 12.391) 12.585 4.199 ( -2.163 -0.000 -4.377) 4.882 4.676 ( -3.449 -0.000 -6.565) 7.415 4.723 ( -6.830 0.000 4.009) 7.919 4.902 ( 10.114 0.000 1.892) 10.289 5.499 ( -1.095 -0.000 -7.198) 7.281 6.069 ( -4.794 0.000 7.873) 9.218 6.190 ( -6.365 -0.000 -0.968) 6.438 6.703 ( 2.182 -0.000 -6.884) 7.221 7.029 ( 3.362 0.000 3.024) 4.522 7.326 ( 15.006 0.000 0.038) 15.006 7.337 ( 0.023 -0.000 -2.790) 2.791 7.812 ( -15.560 0.000 1.043) 15.595 8.290 ( -0.535 -0.000 -0.458) 0.704 9.877 ( 11.634 0.000 0.230) 11.636 11.166 ( -7.951 0.000 7.016) 10.604 11.734 ( 0.020 0.000 0.034) 0.039 11.968 ( -1.415 0.000 0.260) 1.439 12.894 ( -0.075 -0.000 -4.387) 4.388 12.936 ( -0.820 0.000 1.447) 1.663 14.355 ( 7.627 -0.000 -4.333) 8.772 15.106 ( -5.418 -0.000 -0.148) 5.420 15.377 ( 12.644 -0.000 -0.749) 12.666 17.037 ( -15.058 -0.000 -1.082) 15.097 19.054 ( 5.350 0.000 0.982) 5.439 19.397 ( 2.002 -0.000 -1.039) 2.256 19.465 ( -1.567 -0.000 -1.121) 1.927 19.623 ( -1.689 0.000 1.974) 2.598 20.946 ( -0.251 0.000 1.913) 1.929 21.276 ( -8.090 -0.000 -2.184) 8.380 22.522 ( 8.643 0.000 1.407) 8.757 23.092 ( -2.737 0.000 1.555) 3.148 ======================= Grid point 431 (139/144) ======================= q-point: ( 0.33 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 1.374 0.000 1.299) 1.891 1.466 ( -3.811 0.000 6.055) 7.154 1.516 ( 6.597 -0.000 -10.067) 12.036 1.791 ( -1.899 0.000 2.271) 2.960 1.993 ( -7.705 -0.000 -5.898) 9.703 2.124 ( -5.235 0.000 0.028) 5.235 2.410 ( -5.626 0.000 0.471) 5.646 2.556 ( -9.985 0.000 0.560) 10.001 3.666 ( 4.827 0.000 3.379) 5.892 3.877 ( -4.950 0.000 6.209) 7.941 4.139 ( 4.270 0.000 9.826) 10.713 4.200 ( 2.241 0.000 2.717) 3.522 4.572 ( -7.123 -0.000 -0.604) 7.148 4.594 ( -4.842 -0.000 -6.084) 7.775 5.128 ( 12.038 0.000 1.612) 12.146 5.455 ( -3.817 -0.000 -5.666) 6.832 5.975 ( -3.627 0.000 6.456) 7.405 6.051 ( -6.843 -0.000 -0.805) 6.891 6.833 ( 10.247 -0.000 -4.221) 11.082 7.095 ( 2.433 0.000 3.167) 3.994 7.308 ( -1.682 -0.000 -2.327) 2.871 7.495 ( -15.576 -0.000 -1.952) 15.697 7.660 ( 17.114 -0.000 -0.599) 17.125 8.197 ( -8.693 -0.000 -0.630) 8.716 10.179 ( 18.480 0.000 1.446) 18.537 10.925 ( -16.344 0.000 4.642) 16.990 11.763 ( 3.024 0.000 1.143) 3.232 11.920 ( -3.444 0.000 0.997) 3.585 12.895 ( 0.243 -0.000 -2.584) 2.596 12.919 ( -0.893 0.000 0.727) 1.151 14.549 ( 11.506 -0.000 -3.238) 11.953 14.972 ( -8.531 -0.000 -0.841) 8.573 15.706 ( 20.816 -0.000 -1.463) 20.867 16.649 ( -23.656 -0.000 -1.528) 23.705 19.183 ( 7.336 0.000 1.082) 7.415 19.416 ( -3.602 -0.000 -0.265) 3.612 19.447 ( 2.985 -0.000 -1.048) 3.164 19.574 ( -3.163 0.000 0.766) 3.254 20.949 ( 0.922 0.000 1.048) 1.395 21.111 ( -7.805 -0.000 -1.275) 7.908 22.710 ( 9.823 0.000 1.356) 9.916 23.013 ( -5.343 0.000 1.472) 5.542 ======================= Grid point 433 (140/144) ======================= q-point: (-0.50 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -11.864 0.000 5.926) 13.262 1.283 ( 11.864 0.000 5.926) 13.262 1.657 ( -7.004 -0.000 -8.076) 10.690 1.657 ( 7.004 -0.000 -8.076) 10.690 2.011 ( -5.267 0.000 0.259) 5.273 2.011 ( 5.267 0.000 0.259) 5.273 2.396 ( -4.331 -0.000 -0.597) 4.372 2.396 ( 4.331 -0.000 -0.597) 4.372 3.768 ( -2.005 0.000 4.842) 5.241 3.768 ( 2.005 0.000 4.842) 5.241 4.215 ( -0.128 0.000 8.258) 8.259 4.215 ( 0.128 0.000 8.258) 8.259 4.513 ( -0.111 0.000 -5.527) 5.528 4.513 ( 0.111 0.000 -5.527) 5.528 5.335 ( -6.193 0.000 -1.285) 6.325 5.335 ( 6.193 0.000 -1.285) 6.325 5.958 ( -0.386 0.000 1.895) 1.934 5.958 ( 0.386 0.000 1.895) 1.934 7.047 ( -6.723 0.000 1.285) 6.844 7.047 ( 6.723 0.000 1.285) 6.844 7.297 ( -2.572 -0.000 -3.819) 4.605 7.297 ( 2.572 -0.000 -3.819) 4.605 7.970 ( -13.583 0.000 -0.708) 13.601 7.970 ( 13.583 0.000 -0.708) 13.601 10.562 ( -20.048 0.000 2.787) 20.241 10.562 ( 20.048 0.000 2.787) 20.241 11.840 ( -4.254 0.000 1.437) 4.490 11.840 ( 4.254 0.000 1.437) 4.490 12.903 ( -0.056 0.000 -0.671) 0.674 12.903 ( 0.056 0.000 -0.671) 0.674 14.776 ( -11.185 -0.000 -1.949) 11.353 14.776 ( 11.185 -0.000 -1.949) 11.353 16.162 ( -25.207 -0.000 -1.756) 25.268 16.162 ( 25.207 -0.000 -1.756) 25.268 19.320 ( -6.053 0.000 0.745) 6.099 19.320 ( 6.053 0.000 0.745) 6.099 19.509 ( -2.914 -0.000 -0.559) 2.967 19.509 ( 2.914 -0.000 -0.559) 2.967 20.994 ( -3.811 0.000 -0.110) 3.813 20.994 ( 3.811 0.000 -0.110) 3.813 22.884 ( -7.840 0.000 1.396) 7.963 22.884 ( 7.840 0.000 1.396) 7.963 ======================= Grid point 441 (141/144) ======================= q-point: ( 0.00 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.000 -1.729 0.000) 1.729 1.228 ( 0.000 -4.570 0.000) 4.570 1.468 ( 0.000 1.106 -0.000) 1.106 1.853 ( 0.000 -1.283 0.000) 1.283 2.216 ( 0.000 -4.286 0.000) 4.286 2.302 ( 0.000 5.756 -0.000) 5.756 2.675 ( 0.000 0.812 -0.000) 0.812 2.771 ( 0.000 0.547 -0.000) 0.547 3.545 ( 0.000 -0.954 0.000) 0.954 4.036 ( 0.000 -8.830 0.000) 8.830 4.093 ( 0.000 -5.553 0.000) 5.553 4.187 ( 0.000 -2.545 0.000) 2.545 4.522 ( 0.000 -15.684 0.000) 15.684 4.856 ( 0.000 7.556 -0.000) 7.556 4.936 ( 0.000 13.750 -0.000) 13.750 5.462 ( 0.000 4.453 -0.000) 4.453 6.144 ( 0.000 -7.453 0.000) 7.453 6.271 ( 0.000 1.887 -0.000) 1.887 6.664 ( 0.000 4.131 -0.000) 4.131 7.007 ( 0.000 -2.300 0.000) 2.300 7.148 ( 0.000 3.469 -0.000) 3.469 7.337 ( 0.000 2.533 -0.000) 2.533 8.025 ( 0.000 -1.487 0.000) 1.487 8.256 ( 0.000 1.409 -0.000) 1.409 9.760 ( 0.000 0.905 -0.000) 0.905 11.313 ( 0.000 0.195 -0.000) 0.195 11.735 ( 0.000 -0.020 0.000) 0.020 11.970 ( 0.000 -1.817 0.000) 1.817 12.843 ( 0.000 -0.479 0.000) 0.479 12.957 ( 0.000 -0.905 0.000) 0.905 14.243 ( 0.000 1.705 -0.000) 1.705 15.198 ( 0.000 -1.024 0.000) 1.024 15.209 ( 0.000 0.112 -0.000) 0.112 17.187 ( 0.000 1.020 -0.000) 1.020 19.007 ( 0.000 0.348 -0.000) 0.348 19.365 ( 0.000 -0.392 0.000) 0.392 19.471 ( 0.000 0.618 -0.000) 0.618 19.666 ( 0.000 1.124 -0.000) 1.124 20.967 ( 0.000 -0.567 0.000) 0.567 21.343 ( 0.000 -0.499 0.000) 0.499 22.442 ( 0.000 0.693 -0.000) 0.693 23.125 ( 0.000 -1.457 0.000) 1.457 ======================= Grid point 442 (142/144) ======================= q-point: ( 0.17 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -3.701 -3.720 0.000) 5.248 1.268 ( 4.992 -1.458 0.000) 5.200 1.495 ( 2.394 -0.012 0.000) 2.394 1.849 ( -0.040 -0.795 0.000) 0.796 2.136 ( -9.088 -1.860 0.000) 9.277 2.231 ( -5.226 3.319 -0.000) 6.191 2.571 ( -8.870 -0.618 0.000) 8.891 2.736 ( -4.634 1.720 -0.000) 4.943 3.582 ( 3.320 -2.895 0.000) 4.405 4.025 ( -4.070 -3.223 0.000) 5.192 4.066 ( 0.890 -10.854 0.000) 10.890 4.242 ( 5.267 3.010 -0.000) 6.066 4.471 ( -5.173 -17.121 0.000) 17.885 4.864 ( -5.738 14.368 -0.000) 15.471 4.947 ( 7.652 4.743 -0.000) 9.003 5.453 ( -0.972 4.456 -0.000) 4.561 6.090 ( -4.935 -7.332 0.000) 8.838 6.235 ( -4.618 5.848 -0.000) 7.451 6.632 ( 1.541 0.497 -0.000) 1.619 7.050 ( 3.433 -1.280 0.000) 3.664 7.320 ( 4.425 2.226 -0.000) 4.954 7.341 ( 9.853 2.079 -0.000) 10.070 7.823 ( -15.879 0.404 -0.000) 15.885 8.289 ( -0.553 0.701 -0.000) 0.893 9.882 ( 12.029 0.669 -0.000) 12.048 11.228 ( -9.041 0.116 -0.000) 9.041 11.734 ( 0.545 -0.238 0.000) 0.594 11.963 ( -0.917 -1.386 0.000) 1.662 12.848 ( 0.584 -0.574 0.000) 0.818 12.945 ( -1.040 -0.913 0.000) 1.383 14.324 ( 7.902 1.435 -0.000) 8.031 15.105 ( -5.548 -0.306 0.000) 5.556 15.370 ( 12.368 -0.274 0.000) 12.371 17.031 ( -15.252 0.978 -0.000) 15.284 19.064 ( 5.413 0.340 -0.000) 5.423 19.384 ( 1.720 -0.684 0.000) 1.851 19.459 ( -1.096 0.928 -0.000) 1.436 19.647 ( -1.948 1.316 -0.000) 2.350 20.960 ( -0.561 -0.606 0.000) 0.826 21.255 ( -7.746 -0.448 0.000) 7.759 22.536 ( 8.471 0.416 -0.000) 8.481 23.099 ( -2.721 -1.362 0.000) 3.043 ======================= Grid point 443 (143/144) ======================= q-point: ( 0.33 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 3.994 -2.114 0.000) 4.519 1.395 ( 7.287 -1.041 0.000) 7.361 1.525 ( -0.638 -1.113 0.000) 1.283 1.822 ( -11.297 1.153 -0.000) 11.355 1.929 ( -1.975 0.538 -0.000) 2.047 2.135 ( -4.822 1.888 -0.000) 5.178 2.407 ( -6.183 -1.354 0.000) 6.330 2.575 ( -10.882 2.669 -0.000) 11.204 3.666 ( 5.319 -5.936 0.000) 7.970 3.916 ( -6.277 -2.868 0.000) 6.901 4.109 ( 3.033 -13.328 0.000) 13.669 4.333 ( -8.072 -19.975 0.000) 21.544 4.384 ( 8.769 12.652 -0.000) 15.394 4.724 ( -7.802 18.034 -0.000) 19.649 5.135 ( 10.293 -1.277 0.000) 10.372 5.415 ( -3.277 2.788 -0.000) 4.302 5.998 ( -3.235 -3.346 0.000) 4.654 6.106 ( -7.188 6.852 -0.000) 9.930 6.777 ( 11.986 -1.950 0.000) 12.144 7.115 ( 2.338 -1.701 0.000) 2.892 7.299 ( -1.788 2.104 -0.000) 2.761 7.467 ( -14.509 -1.371 0.000) 14.574 7.681 ( 14.492 4.482 -0.000) 15.170 8.197 ( -8.604 1.012 -0.000) 8.663 10.193 ( 18.928 0.254 -0.000) 18.930 10.965 ( -17.382 -0.076 0.000) 17.382 11.773 ( 3.357 -0.368 0.000) 3.377 11.926 ( -3.000 -0.746 0.000) 3.091 12.866 ( 1.197 -0.738 0.000) 1.406 12.921 ( -1.416 -0.898 0.000) 1.677 14.524 ( 11.928 0.769 -0.000) 11.953 14.966 ( -8.913 -0.146 0.000) 8.914 15.694 ( 20.674 0.308 -0.000) 20.677 16.639 ( -23.844 0.920 -0.000) 23.862 19.193 ( 7.170 0.058 -0.000) 7.170 19.400 ( -1.884 -1.921 0.000) 2.691 19.453 ( 1.934 2.376 -0.000) 3.064 19.591 ( -3.710 1.771 -0.000) 4.111 20.956 ( 0.430 -0.656 0.000) 0.784 21.097 ( -7.334 -0.479 0.000) 7.350 22.721 ( 9.684 -0.133 0.000) 9.685 23.021 ( -5.294 -1.094 0.000) 5.406 ======================= Grid point 444 (144/144) ======================= q-point: (-0.50 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -13.255 -1.061 0.000) 13.297 1.371 ( 13.255 -1.061 -0.000) 13.297 1.550 ( -6.508 0.888 0.000) 6.568 1.550 ( 6.508 0.888 -0.000) 6.568 2.023 ( -6.271 1.709 0.000) 6.500 2.023 ( 6.271 1.709 -0.000) 6.500 2.394 ( -5.353 0.733 0.000) 5.403 2.394 ( 5.353 0.733 -0.000) 5.403 3.787 ( -2.822 -4.768 0.000) 5.541 3.787 ( 2.822 -4.768 -0.000) 5.541 4.192 ( -0.966 -18.149 0.000) 18.175 4.192 ( 0.966 -18.149 -0.000) 18.175 4.563 ( -2.908 17.836 0.000) 18.071 4.563 ( 2.908 17.836 -0.000) 18.071 5.313 ( -5.177 -1.376 0.000) 5.357 5.313 ( 5.177 -1.376 -0.000) 5.357 5.997 ( -0.996 3.233 0.000) 3.383 5.997 ( 0.996 3.233 -0.000) 3.383 7.038 ( -10.766 -3.453 0.000) 11.306 7.038 ( 10.766 -3.453 0.000) 11.306 7.277 ( -1.446 2.725 -0.000) 3.085 7.277 ( 1.446 2.725 -0.000) 3.085 7.973 ( -13.409 1.903 0.000) 13.543 7.973 ( 13.409 1.903 -0.000) 13.543 10.586 ( -20.659 -0.042 0.000) 20.659 10.586 ( 20.659 -0.042 0.000) 20.659 11.851 ( -4.178 -0.434 0.000) 4.200 11.851 ( 4.178 -0.434 -0.000) 4.200 12.892 ( -0.333 -0.843 0.000) 0.906 12.892 ( 0.333 -0.843 0.000) 0.906 14.761 ( -11.663 0.159 0.000) 11.664 14.761 ( 11.663 0.159 -0.000) 11.664 16.150 ( -25.267 0.767 -0.000) 25.279 16.150 ( 25.267 0.767 -0.000) 25.279 19.322 ( -5.456 -0.728 0.000) 5.505 19.322 ( 5.456 -0.728 0.000) 5.505 19.514 ( -3.503 1.964 0.000) 4.016 19.514 ( 3.503 1.964 -0.000) 4.016 20.991 ( -3.295 -0.603 0.000) 3.350 20.991 ( 3.295 -0.603 0.000) 3.350 22.893 ( -7.748 -0.674 0.000) 7.777 22.893 ( 7.748 -0.674 0.000) 7.777 =================== 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 3/30492 10.0 130.015 114.330 139.202 -0.000 0.000 0.000 3/30492 20.0 24.827 23.396 32.219 -0.000 0.000 0.000 3/30492 30.0 12.157 11.317 15.708 -0.000 0.000 0.000 3/30492 40.0 7.958 7.478 10.105 -0.000 0.000 0.000 3/30492 50.0 5.942 5.728 7.480 -0.000 0.000 0.000 3/30492 60.0 4.774 4.749 5.992 -0.000 0.000 0.000 3/30492 70.0 4.015 4.117 5.033 -0.000 0.000 0.000 3/30492 80.0 3.482 3.665 4.360 -0.000 0.000 0.000 3/30492 90.0 3.084 3.317 3.856 -0.000 0.000 0.000 3/30492 100.0 2.776 3.037 3.463 -0.000 0.000 0.000 3/30492 110.0 2.530 2.803 3.146 -0.000 0.000 0.000 3/30492 120.0 2.328 2.604 2.885 -0.000 0.000 0.000 3/30492 130.0 2.160 2.432 2.666 -0.000 0.000 0.000 3/30492 140.0 2.018 2.281 2.478 -0.000 0.000 0.000 3/30492 150.0 1.896 2.148 2.316 -0.000 0.000 0.000 3/30492 160.0 1.790 2.030 2.175 -0.000 0.000 0.000 3/30492 170.0 1.697 1.925 2.050 -0.000 0.000 0.000 3/30492 180.0 1.615 1.830 1.940 -0.000 0.000 0.000 3/30492 190.0 1.541 1.744 1.841 -0.000 0.000 0.000 3/30492 200.0 1.475 1.666 1.751 -0.000 0.000 0.000 3/30492 210.0 1.415 1.595 1.671 -0.000 0.000 0.000 3/30492 220.0 1.360 1.530 1.597 -0.000 0.000 0.000 3/30492 230.0 1.310 1.470 1.530 -0.000 0.000 0.000 3/30492 240.0 1.263 1.414 1.469 -0.000 0.000 0.000 3/30492 250.0 1.220 1.363 1.412 -0.000 0.000 0.000 3/30492 260.0 1.180 1.315 1.359 -0.000 0.000 0.000 3/30492 270.0 1.143 1.271 1.311 -0.000 0.000 0.000 3/30492 280.0 1.108 1.229 1.265 -0.000 0.000 0.000 3/30492 290.0 1.076 1.190 1.223 -0.000 0.000 0.000 3/30492 300.0 1.045 1.154 1.184 -0.000 0.000 0.000 3/30492 310.0 1.016 1.119 1.147 -0.000 0.000 0.000 3/30492 320.0 0.988 1.087 1.112 -0.000 0.000 0.000 3/30492 330.0 0.962 1.056 1.079 -0.000 0.000 0.000 3/30492 340.0 0.938 1.028 1.049 -0.000 0.000 0.000 3/30492 350.0 0.914 1.000 1.020 -0.000 0.000 0.000 3/30492 360.0 0.892 0.974 0.992 -0.000 0.000 0.000 3/30492 370.0 0.871 0.950 0.966 -0.000 0.000 0.000 3/30492 380.0 0.851 0.926 0.941 -0.000 0.000 0.000 3/30492 390.0 0.831 0.904 0.918 -0.000 0.000 0.000 3/30492 400.0 0.813 0.883 0.895 -0.000 0.000 0.000 3/30492 410.0 0.795 0.862 0.874 -0.000 0.000 0.000 3/30492 420.0 0.778 0.843 0.854 -0.000 0.000 0.000 3/30492 430.0 0.762 0.825 0.834 -0.000 0.000 0.000 3/30492 440.0 0.747 0.807 0.816 -0.000 0.000 0.000 3/30492 450.0 0.732 0.790 0.798 -0.000 0.000 0.000 3/30492 460.0 0.717 0.774 0.781 -0.000 0.000 0.000 3/30492 470.0 0.703 0.758 0.765 -0.000 0.000 0.000 3/30492 480.0 0.690 0.743 0.749 -0.000 0.000 0.000 3/30492 490.0 0.677 0.728 0.734 -0.000 0.000 0.000 3/30492 500.0 0.665 0.715 0.720 -0.000 0.000 0.000 3/30492 510.0 0.653 0.701 0.706 -0.000 0.000 0.000 3/30492 520.0 0.641 0.688 0.693 -0.000 0.000 0.000 3/30492 530.0 0.630 0.676 0.680 -0.000 0.000 0.000 3/30492 540.0 0.619 0.664 0.668 -0.000 0.000 0.000 3/30492 550.0 0.609 0.652 0.656 -0.000 0.000 0.000 3/30492 560.0 0.599 0.641 0.644 -0.000 0.000 0.000 3/30492 570.0 0.589 0.630 0.633 -0.000 0.000 0.000 3/30492 580.0 0.579 0.620 0.622 -0.000 0.000 0.000 3/30492 590.0 0.570 0.610 0.612 -0.000 0.000 0.000 3/30492 600.0 0.561 0.600 0.602 -0.000 0.000 0.000 3/30492 610.0 0.553 0.590 0.592 -0.000 0.000 0.000 3/30492 620.0 0.544 0.581 0.583 -0.000 0.000 0.000 3/30492 630.0 0.536 0.572 0.574 -0.000 0.000 0.000 3/30492 640.0 0.528 0.563 0.565 -0.000 0.000 0.000 3/30492 650.0 0.521 0.555 0.556 -0.000 0.000 0.000 3/30492 660.0 0.513 0.547 0.548 -0.000 0.000 0.000 3/30492 670.0 0.506 0.539 0.540 -0.000 0.000 0.000 3/30492 680.0 0.499 0.531 0.532 -0.000 0.000 0.000 3/30492 690.0 0.492 0.524 0.524 -0.000 0.000 0.000 3/30492 700.0 0.485 0.517 0.517 -0.000 0.000 0.000 3/30492 710.0 0.479 0.509 0.510 -0.000 0.000 0.000 3/30492 720.0 0.473 0.503 0.503 -0.000 0.000 0.000 3/30492 730.0 0.466 0.496 0.496 -0.000 0.000 0.000 3/30492 740.0 0.460 0.489 0.489 -0.000 0.000 0.000 3/30492 750.0 0.454 0.483 0.483 -0.000 0.000 0.000 3/30492 760.0 0.449 0.477 0.477 -0.000 0.000 0.000 3/30492 770.0 0.443 0.471 0.471 -0.000 0.000 0.000 3/30492 780.0 0.438 0.465 0.465 -0.000 0.000 0.000 3/30492 790.0 0.432 0.459 0.459 -0.000 0.000 0.000 3/30492 800.0 0.427 0.453 0.453 -0.000 0.000 0.000 3/30492 810.0 0.422 0.448 0.448 -0.000 0.000 0.000 3/30492 820.0 0.417 0.443 0.442 -0.000 0.000 0.000 3/30492 830.0 0.412 0.437 0.437 -0.000 0.000 0.000 3/30492 840.0 0.408 0.432 0.432 -0.000 0.000 0.000 3/30492 850.0 0.403 0.427 0.427 -0.000 0.000 0.000 3/30492 860.0 0.399 0.422 0.422 -0.000 0.000 0.000 3/30492 870.0 0.394 0.418 0.417 -0.000 0.000 0.000 3/30492 880.0 0.390 0.413 0.412 -0.000 0.000 0.000 3/30492 890.0 0.386 0.408 0.408 -0.000 0.000 0.000 3/30492 900.0 0.381 0.404 0.403 -0.000 0.000 0.000 3/30492 910.0 0.377 0.400 0.399 -0.000 0.000 0.000 3/30492 920.0 0.373 0.395 0.395 -0.000 0.000 0.000 3/30492 930.0 0.369 0.391 0.390 -0.000 0.000 0.000 3/30492 940.0 0.366 0.387 0.386 -0.000 0.000 0.000 3/30492 950.0 0.362 0.383 0.382 -0.000 0.000 0.000 3/30492 960.0 0.358 0.379 0.378 -0.000 0.000 0.000 3/30492 970.0 0.355 0.375 0.374 -0.000 0.000 0.000 3/30492 980.0 0.351 0.372 0.371 -0.000 0.000 0.000 3/30492 990.0 0.348 0.368 0.367 -0.000 0.000 0.000 3/30492 1000.0 0.344 0.364 0.363 -0.000 0.000 0.000 3/30492 Thermal conductivity related properties were written into "kappa-m61111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:56:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|