----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:57:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.798823560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.091029270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.189294730000002 Atomic positions (fractional): *1 O 0.11656583737388 0.97325052522270 0.75000000000000 15.999 2 O 0.11656583737388 0.52674947477730 0.25000000000000 15.999 3 O 0.88343416262612 0.47325052522270 0.75000000000000 15.999 4 O 0.88343416262612 0.02674947477730 0.25000000000000 15.999 *5 O 0.14699346023136 0.25000000000000 0.50000000000000 15.999 6 O 0.85300653976864 0.75000000000000 0.00000000000000 15.999 7 O 0.85300653976864 0.75000000000000 0.50000000000000 15.999 8 O 0.14699346023136 0.25000000000000 0.00000000000000 15.999 *9 O 0.29765958504120 0.92372831335654 0.06918734932400 15.999 10 O 0.29765958504120 0.57627168664346 0.93081265067601 15.999 11 O 0.70234041495880 0.42372831335654 0.43081265067600 15.999 12 O 0.70234041495880 0.07627168664346 0.56918734932399 15.999 13 O 0.70234041495880 0.07627168664346 0.93081265067601 15.999 14 O 0.70234041495880 0.42372831335654 0.06918734932400 15.999 15 O 0.29765958504120 0.57627168664346 0.56918734932399 15.999 16 O 0.29765958504120 0.92372831335654 0.43081265067600 15.999 *17 Ba 0.48183538788544 0.19337041698216 0.25000000000000 137.327 18 Ba 0.48183538788544 0.30662958301784 0.75000000000000 137.327 19 Ba 0.51816461211456 0.69337041698216 0.25000000000000 137.327 20 Ba 0.51816461211456 0.80662958301784 0.75000000000000 137.327 *21 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 22 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 23 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 24 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.798823560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.091029270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.189294730000002 Atomic positions (fractional): *1 O 0.11656583737388 0.97325052522270 0.75000000000000 15.999 > 1 2 O 0.11656583737388 0.52674947477730 0.25000000000000 15.999 > 2 3 O 0.88343416262612 0.47325052522270 0.75000000000000 15.999 > 3 4 O 0.88343416262612 0.02674947477730 0.25000000000000 15.999 > 4 *5 O 0.14699346023136 0.25000000000000 0.50000000000000 15.999 > 5 6 O 0.85300653976864 0.75000000000000 0.00000000000000 15.999 > 6 7 O 0.85300653976864 0.75000000000000 0.50000000000000 15.999 > 7 8 O 0.14699346023136 0.25000000000000 0.00000000000000 15.999 > 8 *9 O 0.29765958504120 0.92372831335654 0.06918734932400 15.999 > 9 10 O 0.29765958504120 0.57627168664346 0.93081265067601 15.999 > 10 11 O 0.70234041495880 0.42372831335654 0.43081265067600 15.999 > 11 12 O 0.70234041495880 0.07627168664346 0.56918734932399 15.999 > 12 13 O 0.70234041495880 0.07627168664346 0.93081265067601 15.999 > 13 14 O 0.70234041495880 0.42372831335654 0.06918734932400 15.999 > 14 15 O 0.29765958504120 0.57627168664346 0.56918734932399 15.999 > 15 16 O 0.29765958504120 0.92372831335654 0.43081265067600 15.999 > 16 *17 Ba 0.48183538788544 0.19337041698216 0.25000000000000 137.327 > 17 18 Ba 0.48183538788544 0.30662958301784 0.75000000000000 137.327 > 18 19 Ba 0.51816461211456 0.69337041698216 0.25000000000000 137.327 > 19 20 Ba 0.51816461211456 0.80662958301784 0.75000000000000 137.327 > 20 *21 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 21 22 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 22 23 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 23 24 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.597647120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.182058540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.189294730000002 Atomic positions (fractional): *1 O 0.05828291868694 0.48662526261135 0.75000000000000 15.999 > 1 2 O 0.55828291868694 0.48662526261135 0.75000000000000 15.999 > 1 3 O 0.05828291868694 0.98662526261135 0.75000000000000 15.999 > 1 4 O 0.55828291868694 0.98662526261135 0.75000000000000 15.999 > 1 5 O 0.05828291868694 0.26337473738865 0.25000000000000 15.999 > 2 6 O 0.55828291868694 0.26337473738865 0.25000000000000 15.999 > 2 7 O 0.05828291868694 0.76337473738865 0.25000000000000 15.999 > 2 8 O 0.55828291868694 0.76337473738865 0.25000000000000 15.999 > 2 9 O 0.44171708131306 0.23662526261135 0.75000000000000 15.999 > 3 10 O 0.94171708131306 0.23662526261135 0.75000000000000 15.999 > 3 11 O 0.44171708131306 0.73662526261135 0.75000000000000 15.999 > 3 12 O 0.94171708131306 0.73662526261135 0.75000000000000 15.999 > 3 13 O 0.44171708131306 0.01337473738865 0.25000000000000 15.999 > 4 14 O 0.94171708131306 0.01337473738865 0.25000000000000 15.999 > 4 15 O 0.44171708131306 0.51337473738865 0.25000000000000 15.999 > 4 16 O 0.94171708131306 0.51337473738865 0.25000000000000 15.999 > 4 *17 O 0.07349673011568 0.12500000000000 0.50000000000000 15.999 > 5 18 O 0.57349673011568 0.12500000000000 0.50000000000000 15.999 > 5 19 O 0.07349673011568 0.62500000000000 0.50000000000000 15.999 > 5 20 O 0.57349673011568 0.62500000000000 0.50000000000000 15.999 > 5 21 O 0.42650326988432 0.37500000000000 0.00000000000000 15.999 > 6 22 O 0.92650326988432 0.37500000000000 0.00000000000000 15.999 > 6 23 O 0.42650326988432 0.87500000000000 0.00000000000000 15.999 > 6 24 O 0.92650326988432 0.87500000000000 0.00000000000000 15.999 > 6 25 O 0.42650326988432 0.37500000000000 0.50000000000000 15.999 > 7 26 O 0.92650326988432 0.37500000000000 0.50000000000000 15.999 > 7 27 O 0.42650326988432 0.87500000000000 0.50000000000000 15.999 > 7 28 O 0.92650326988432 0.87500000000000 0.50000000000000 15.999 > 7 29 O 0.07349673011568 0.12500000000000 0.00000000000000 15.999 > 8 30 O 0.57349673011568 0.12500000000000 0.00000000000000 15.999 > 8 31 O 0.07349673011568 0.62500000000000 0.00000000000000 15.999 > 8 32 O 0.57349673011568 0.62500000000000 0.00000000000000 15.999 > 8 *33 O 0.14882979252060 0.46186415667827 0.06918734932400 15.999 > 9 34 O 0.64882979252060 0.46186415667827 0.06918734932400 15.999 > 9 35 O 0.14882979252060 0.96186415667827 0.06918734932400 15.999 > 9 36 O 0.64882979252060 0.96186415667827 0.06918734932400 15.999 > 9 37 O 0.14882979252060 0.28813584332173 0.93081265067601 15.999 > 10 38 O 0.64882979252060 0.28813584332173 0.93081265067601 15.999 > 10 39 O 0.14882979252060 0.78813584332173 0.93081265067601 15.999 > 10 40 O 0.64882979252060 0.78813584332173 0.93081265067601 15.999 > 10 41 O 0.35117020747940 0.21186415667827 0.43081265067600 15.999 > 11 42 O 0.85117020747940 0.21186415667827 0.43081265067600 15.999 > 11 43 O 0.35117020747940 0.71186415667827 0.43081265067600 15.999 > 11 44 O 0.85117020747940 0.71186415667827 0.43081265067600 15.999 > 11 45 O 0.35117020747940 0.03813584332173 0.56918734932399 15.999 > 12 46 O 0.85117020747940 0.03813584332173 0.56918734932399 15.999 > 12 47 O 0.35117020747940 0.53813584332173 0.56918734932399 15.999 > 12 48 O 0.85117020747940 0.53813584332173 0.56918734932399 15.999 > 12 49 O 0.35117020747940 0.03813584332173 0.93081265067601 15.999 > 13 50 O 0.85117020747940 0.03813584332173 0.93081265067601 15.999 > 13 51 O 0.35117020747940 0.53813584332173 0.93081265067601 15.999 > 13 52 O 0.85117020747940 0.53813584332173 0.93081265067601 15.999 > 13 53 O 0.35117020747940 0.21186415667827 0.06918734932400 15.999 > 14 54 O 0.85117020747940 0.21186415667827 0.06918734932400 15.999 > 14 55 O 0.35117020747940 0.71186415667827 0.06918734932400 15.999 > 14 56 O 0.85117020747940 0.71186415667827 0.06918734932400 15.999 > 14 57 O 0.14882979252060 0.28813584332173 0.56918734932399 15.999 > 15 58 O 0.64882979252060 0.28813584332173 0.56918734932399 15.999 > 15 59 O 0.14882979252060 0.78813584332173 0.56918734932399 15.999 > 15 60 O 0.64882979252060 0.78813584332173 0.56918734932399 15.999 > 15 61 O 0.14882979252060 0.46186415667827 0.43081265067600 15.999 > 16 62 O 0.64882979252060 0.46186415667827 0.43081265067600 15.999 > 16 63 O 0.14882979252060 0.96186415667827 0.43081265067600 15.999 > 16 64 O 0.64882979252060 0.96186415667827 0.43081265067600 15.999 > 16 *65 Ba 0.24091769394272 0.09668520849108 0.25000000000000 137.327 > 17 66 Ba 0.74091769394272 0.09668520849108 0.25000000000000 137.327 > 17 67 Ba 0.24091769394272 0.59668520849108 0.25000000000000 137.327 > 17 68 Ba 0.74091769394272 0.59668520849108 0.25000000000000 137.327 > 17 69 Ba 0.24091769394272 0.15331479150892 0.75000000000000 137.327 > 18 70 Ba 0.74091769394272 0.15331479150892 0.75000000000000 137.327 > 18 71 Ba 0.24091769394272 0.65331479150892 0.75000000000000 137.327 > 18 72 Ba 0.74091769394272 0.65331479150892 0.75000000000000 137.327 > 18 73 Ba 0.25908230605728 0.34668520849108 0.25000000000000 137.327 > 19 74 Ba 0.75908230605728 0.34668520849108 0.25000000000000 137.327 > 19 75 Ba 0.25908230605728 0.84668520849108 0.25000000000000 137.327 > 19 76 Ba 0.75908230605728 0.84668520849108 0.25000000000000 137.327 > 19 77 Ba 0.25908230605728 0.40331479150892 0.75000000000000 137.327 > 20 78 Ba 0.75908230605728 0.40331479150892 0.75000000000000 137.327 > 20 79 Ba 0.25908230605728 0.90331479150892 0.75000000000000 137.327 > 20 80 Ba 0.75908230605728 0.90331479150892 0.75000000000000 137.327 > 20 *81 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 21 82 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 21 83 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 21 84 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 21 85 U 0.00000000000000 0.25000000000000 0.00000000000000 238.029 > 22 86 U 0.50000000000000 0.25000000000000 0.00000000000000 238.029 > 22 87 U 0.00000000000000 0.75000000000000 0.00000000000000 238.029 > 22 88 U 0.50000000000000 0.75000000000000 0.00000000000000 238.029 > 22 89 U 0.00000000000000 0.25000000000000 0.50000000000000 238.029 > 23 90 U 0.50000000000000 0.25000000000000 0.50000000000000 238.029 > 23 91 U 0.00000000000000 0.75000000000000 0.50000000000000 238.029 > 23 92 U 0.50000000000000 0.75000000000000 0.50000000000000 238.029 > 23 93 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 24 94 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 24 95 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 24 96 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4576486 0.0000000 0.0000000 0.0000000 4.9548359 0.0000000 0.0000000 0.0000000 5.0529971 -------------------------- Born effective charges -------------------------- 1 O -1.4118453 0.1695748 0.0000000 0.1898616 -1.0130401 0.0000000 0.0000000 0.0000000 -5.2223236 2 O -1.4118453 -0.1695748 0.0000000 -0.1898616 -1.0130401 0.0000000 0.0000000 0.0000000 -5.2223236 3 O -1.4118453 -0.1695748 0.0000000 -0.1898616 -1.0130401 0.0000000 0.0000000 0.0000000 -5.2223236 4 O -1.4118453 0.1695748 0.0000000 0.1898616 -1.0130401 0.0000000 0.0000000 0.0000000 -5.2223236 5 O -1.5426757 0.0000000 0.0000000 0.0000000 -4.8901583 -0.0809651 0.0000000 -0.0347651 -1.1544130 6 O -1.5426757 0.0000000 0.0000000 0.0000000 -4.8901583 0.0809651 0.0000000 0.0347651 -1.1544130 7 O -1.5426757 0.0000000 0.0000000 0.0000000 -4.8901583 -0.0809651 0.0000000 -0.0347651 -1.1544130 8 O -1.5426757 0.0000000 0.0000000 0.0000000 -4.8901583 0.0809651 0.0000000 0.0347651 -1.1544130 9 O -2.8874092 0.6224852 -0.7528641 0.7221379 -1.5173621 0.1514114 -0.8168904 0.2245982 -1.4562036 10 O -2.8874092 -0.6224852 0.7528641 -0.7221379 -1.5173621 0.1514114 0.8168904 0.2245982 -1.4562036 11 O -2.8874092 -0.6224852 -0.7528641 -0.7221379 -1.5173621 -0.1514114 -0.8168904 -0.2245982 -1.4562036 12 O -2.8874092 0.6224852 0.7528641 0.7221379 -1.5173621 -0.1514114 0.8168904 -0.2245982 -1.4562036 13 O -2.8874092 0.6224852 -0.7528641 0.7221379 -1.5173621 0.1514114 -0.8168904 0.2245982 -1.4562036 14 O -2.8874092 -0.6224852 0.7528641 -0.7221379 -1.5173621 0.1514114 0.8168904 0.2245982 -1.4562036 15 O -2.8874092 -0.6224852 -0.7528641 -0.7221379 -1.5173621 -0.1514114 -0.8168904 -0.2245982 -1.4562036 16 O -2.8874092 0.6224852 0.7528641 0.7221379 -1.5173621 -0.1514114 0.8168904 -0.2245982 -1.4562036 17 Ba 3.4996983 0.4932422 0.0000000 0.0398703 2.6402389 0.0000000 0.0000000 0.0000000 2.7220446 18 Ba 3.4996983 -0.4932422 0.0000000 -0.0398703 2.6402389 0.0000000 0.0000000 0.0000000 2.7220446 19 Ba 3.4996983 -0.4932422 0.0000000 -0.0398703 2.6402389 0.0000000 0.0000000 0.0000000 2.7220446 20 Ba 3.4996983 0.4932422 0.0000000 0.0398703 2.6402389 0.0000000 0.0000000 0.0000000 2.7220446 21 U 5.2296410 -0.1643358 0.3668102 0.6179171 6.2976837 -0.0722642 -0.3117507 0.0438728 6.5670993 22 U 5.2296410 0.1643358 -0.3668102 -0.6179171 6.2976837 -0.0722642 0.3117507 0.0438728 6.5670993 23 U 5.2296410 0.1643358 0.3668102 -0.6179171 6.2976837 0.0722642 -0.3117507 -0.0438728 6.5670993 24 U 5.2296410 -0.1643358 -0.3668102 0.6179171 6.2976837 0.0722642 0.3117507 -0.0438728 6.5670993 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1407), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True |-- (264, 258), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 400 - Time: 1.884 Solver_block: 200 / 400 - Time: 1.711 Solver_block: 300 / 400 - Time: 1.615 Solver_block: 400 / 400 - Time: 1.615 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.987 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1407), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True |-- (264, 258), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 2026-01-07 20:57:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:57:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.798823560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.091029270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.189294730000002 Atomic positions (fractional): 1 O 0.11656583737388 0.97325052522270 0.75000000000000 15.999 2 O 0.11656583737388 0.52674947477730 0.25000000000000 15.999 3 O 0.88343416262612 0.47325052522270 0.75000000000000 15.999 4 O 0.88343416262612 0.02674947477730 0.25000000000000 15.999 5 O 0.14699346023136 0.25000000000000 0.50000000000000 15.999 6 O 0.85300653976864 0.75000000000000 0.00000000000000 15.999 7 O 0.85300653976864 0.75000000000000 0.50000000000000 15.999 8 O 0.14699346023136 0.25000000000000 0.00000000000000 15.999 9 O 0.29765958504120 0.92372831335654 0.06918734932400 15.999 10 O 0.29765958504120 0.57627168664346 0.93081265067601 15.999 11 O 0.70234041495880 0.42372831335654 0.43081265067600 15.999 12 O 0.70234041495880 0.07627168664346 0.56918734932399 15.999 13 O 0.70234041495880 0.07627168664346 0.93081265067601 15.999 14 O 0.70234041495880 0.42372831335654 0.06918734932400 15.999 15 O 0.29765958504120 0.57627168664346 0.56918734932399 15.999 16 O 0.29765958504120 0.92372831335654 0.43081265067600 15.999 17 Ba 0.48183538788544 0.19337041698216 0.25000000000000 137.327 18 Ba 0.48183538788544 0.30662958301784 0.75000000000000 137.327 19 Ba 0.51816461211456 0.69337041698216 0.25000000000000 137.327 20 Ba 0.51816461211456 0.80662958301784 0.75000000000000 137.327 21 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 22 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 23 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 24 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.597647120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.182058540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.189294730000002 Atomic positions (fractional): 1 O 0.05828291868694 0.48662526261135 0.75000000000000 15.999 > 1 2 O 0.55828291868694 0.48662526261135 0.75000000000000 15.999 > 1 3 O 0.05828291868694 0.98662526261135 0.75000000000000 15.999 > 1 4 O 0.55828291868694 0.98662526261135 0.75000000000000 15.999 > 1 5 O 0.05828291868694 0.26337473738865 0.25000000000000 15.999 > 5 6 O 0.55828291868694 0.26337473738865 0.25000000000000 15.999 > 5 7 O 0.05828291868694 0.76337473738865 0.25000000000000 15.999 > 5 8 O 0.55828291868694 0.76337473738865 0.25000000000000 15.999 > 5 9 O 0.44171708131306 0.23662526261135 0.75000000000000 15.999 > 9 10 O 0.94171708131306 0.23662526261135 0.75000000000000 15.999 > 9 11 O 0.44171708131306 0.73662526261135 0.75000000000000 15.999 > 9 12 O 0.94171708131306 0.73662526261135 0.75000000000000 15.999 > 9 13 O 0.44171708131306 0.01337473738865 0.25000000000000 15.999 > 13 14 O 0.94171708131306 0.01337473738865 0.25000000000000 15.999 > 13 15 O 0.44171708131306 0.51337473738865 0.25000000000000 15.999 > 13 16 O 0.94171708131306 0.51337473738865 0.25000000000000 15.999 > 13 17 O 0.07349673011568 0.12500000000000 0.50000000000000 15.999 > 17 18 O 0.57349673011568 0.12500000000000 0.50000000000000 15.999 > 17 19 O 0.07349673011568 0.62500000000000 0.50000000000000 15.999 > 17 20 O 0.57349673011568 0.62500000000000 0.50000000000000 15.999 > 17 21 O 0.42650326988432 0.37500000000000 0.00000000000000 15.999 > 21 22 O 0.92650326988432 0.37500000000000 0.00000000000000 15.999 > 21 23 O 0.42650326988432 0.87500000000000 0.00000000000000 15.999 > 21 24 O 0.92650326988432 0.87500000000000 0.00000000000000 15.999 > 21 25 O 0.42650326988432 0.37500000000000 0.50000000000000 15.999 > 25 26 O 0.92650326988432 0.37500000000000 0.50000000000000 15.999 > 25 27 O 0.42650326988432 0.87500000000000 0.50000000000000 15.999 > 25 28 O 0.92650326988432 0.87500000000000 0.50000000000000 15.999 > 25 29 O 0.07349673011568 0.12500000000000 0.00000000000000 15.999 > 29 30 O 0.57349673011568 0.12500000000000 0.00000000000000 15.999 > 29 31 O 0.07349673011568 0.62500000000000 0.00000000000000 15.999 > 29 32 O 0.57349673011568 0.62500000000000 0.00000000000000 15.999 > 29 33 O 0.14882979252060 0.46186415667827 0.06918734932400 15.999 > 33 34 O 0.64882979252060 0.46186415667827 0.06918734932400 15.999 > 33 35 O 0.14882979252060 0.96186415667827 0.06918734932400 15.999 > 33 36 O 0.64882979252060 0.96186415667827 0.06918734932400 15.999 > 33 37 O 0.14882979252060 0.28813584332173 0.93081265067601 15.999 > 37 38 O 0.64882979252060 0.28813584332173 0.93081265067601 15.999 > 37 39 O 0.14882979252060 0.78813584332173 0.93081265067601 15.999 > 37 40 O 0.64882979252060 0.78813584332173 0.93081265067601 15.999 > 37 41 O 0.35117020747940 0.21186415667827 0.43081265067600 15.999 > 41 42 O 0.85117020747940 0.21186415667827 0.43081265067600 15.999 > 41 43 O 0.35117020747940 0.71186415667827 0.43081265067600 15.999 > 41 44 O 0.85117020747940 0.71186415667827 0.43081265067600 15.999 > 41 45 O 0.35117020747940 0.03813584332173 0.56918734932399 15.999 > 45 46 O 0.85117020747940 0.03813584332173 0.56918734932399 15.999 > 45 47 O 0.35117020747940 0.53813584332173 0.56918734932399 15.999 > 45 48 O 0.85117020747940 0.53813584332173 0.56918734932399 15.999 > 45 49 O 0.35117020747940 0.03813584332173 0.93081265067601 15.999 > 49 50 O 0.85117020747940 0.03813584332173 0.93081265067601 15.999 > 49 51 O 0.35117020747940 0.53813584332173 0.93081265067601 15.999 > 49 52 O 0.85117020747940 0.53813584332173 0.93081265067601 15.999 > 49 53 O 0.35117020747940 0.21186415667827 0.06918734932400 15.999 > 53 54 O 0.85117020747940 0.21186415667827 0.06918734932400 15.999 > 53 55 O 0.35117020747940 0.71186415667827 0.06918734932400 15.999 > 53 56 O 0.85117020747940 0.71186415667827 0.06918734932400 15.999 > 53 57 O 0.14882979252060 0.28813584332173 0.56918734932399 15.999 > 57 58 O 0.64882979252060 0.28813584332173 0.56918734932399 15.999 > 57 59 O 0.14882979252060 0.78813584332173 0.56918734932399 15.999 > 57 60 O 0.64882979252060 0.78813584332173 0.56918734932399 15.999 > 57 61 O 0.14882979252060 0.46186415667827 0.43081265067600 15.999 > 61 62 O 0.64882979252060 0.46186415667827 0.43081265067600 15.999 > 61 63 O 0.14882979252060 0.96186415667827 0.43081265067600 15.999 > 61 64 O 0.64882979252060 0.96186415667827 0.43081265067600 15.999 > 61 65 Ba 0.24091769394272 0.09668520849108 0.25000000000000 137.327 > 65 66 Ba 0.74091769394272 0.09668520849108 0.25000000000000 137.327 > 65 67 Ba 0.24091769394272 0.59668520849108 0.25000000000000 137.327 > 65 68 Ba 0.74091769394272 0.59668520849108 0.25000000000000 137.327 > 65 69 Ba 0.24091769394272 0.15331479150892 0.75000000000000 137.327 > 69 70 Ba 0.74091769394272 0.15331479150892 0.75000000000000 137.327 > 69 71 Ba 0.24091769394272 0.65331479150892 0.75000000000000 137.327 > 69 72 Ba 0.74091769394272 0.65331479150892 0.75000000000000 137.327 > 69 73 Ba 0.25908230605728 0.34668520849108 0.25000000000000 137.327 > 73 74 Ba 0.75908230605728 0.34668520849108 0.25000000000000 137.327 > 73 75 Ba 0.25908230605728 0.84668520849108 0.25000000000000 137.327 > 73 76 Ba 0.75908230605728 0.84668520849108 0.25000000000000 137.327 > 73 77 Ba 0.25908230605728 0.40331479150892 0.75000000000000 137.327 > 77 78 Ba 0.75908230605728 0.40331479150892 0.75000000000000 137.327 > 77 79 Ba 0.25908230605728 0.90331479150892 0.75000000000000 137.327 > 77 80 Ba 0.75908230605728 0.90331479150892 0.75000000000000 137.327 > 77 81 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 81 82 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 81 83 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 81 84 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 81 85 U 0.00000000000000 0.25000000000000 0.00000000000000 238.029 > 85 86 U 0.50000000000000 0.25000000000000 0.00000000000000 238.029 > 85 87 U 0.00000000000000 0.75000000000000 0.00000000000000 238.029 > 85 88 U 0.50000000000000 0.75000000000000 0.00000000000000 238.029 > 85 89 U 0.00000000000000 0.25000000000000 0.50000000000000 238.029 > 89 90 U 0.50000000000000 0.25000000000000 0.50000000000000 238.029 > 89 91 U 0.00000000000000 0.75000000000000 0.50000000000000 238.029 > 89 92 U 0.50000000000000 0.75000000000000 0.50000000000000 238.029 > 89 93 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 93 94 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 93 95 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 93 96 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4576486 0.0000000 0.0000000 0.0000000 4.9548359 0.0000000 0.0000000 0.0000000 5.0529971 -------------------------- Born effective charges -------------------------- 1 O -1.4118453 0.1695748 0.0000000 0.1898616 -1.0130401 0.0000000 0.0000000 0.0000000 -5.2223236 2 O -1.4118453 -0.1695748 0.0000000 -0.1898616 -1.0130401 0.0000000 0.0000000 0.0000000 -5.2223236 3 O -1.4118453 -0.1695748 0.0000000 -0.1898616 -1.0130401 0.0000000 0.0000000 0.0000000 -5.2223236 4 O -1.4118453 0.1695748 0.0000000 0.1898616 -1.0130401 0.0000000 0.0000000 0.0000000 -5.2223236 5 O -1.5426757 0.0000000 0.0000000 0.0000000 -4.8901583 -0.0809651 0.0000000 -0.0347651 -1.1544130 6 O -1.5426757 0.0000000 0.0000000 0.0000000 -4.8901583 0.0809651 0.0000000 0.0347651 -1.1544130 7 O -1.5426757 0.0000000 0.0000000 0.0000000 -4.8901583 -0.0809651 0.0000000 -0.0347651 -1.1544130 8 O -1.5426757 0.0000000 0.0000000 0.0000000 -4.8901583 0.0809651 0.0000000 0.0347651 -1.1544130 9 O -2.8874092 0.6224852 -0.7528641 0.7221379 -1.5173621 0.1514114 -0.8168904 0.2245982 -1.4562036 10 O -2.8874092 -0.6224852 0.7528641 -0.7221379 -1.5173621 0.1514114 0.8168904 0.2245982 -1.4562036 11 O -2.8874092 -0.6224852 -0.7528641 -0.7221379 -1.5173621 -0.1514114 -0.8168904 -0.2245982 -1.4562036 12 O -2.8874092 0.6224852 0.7528641 0.7221379 -1.5173621 -0.1514114 0.8168904 -0.2245982 -1.4562036 13 O -2.8874092 0.6224852 -0.7528641 0.7221379 -1.5173621 0.1514114 -0.8168904 0.2245982 -1.4562036 14 O -2.8874092 -0.6224852 0.7528641 -0.7221379 -1.5173621 0.1514114 0.8168904 0.2245982 -1.4562036 15 O -2.8874092 -0.6224852 -0.7528641 -0.7221379 -1.5173621 -0.1514114 -0.8168904 -0.2245982 -1.4562036 16 O -2.8874092 0.6224852 0.7528641 0.7221379 -1.5173621 -0.1514114 0.8168904 -0.2245982 -1.4562036 17 Ba 3.4996983 0.4932422 0.0000000 0.0398703 2.6402389 0.0000000 0.0000000 0.0000000 2.7220446 18 Ba 3.4996983 -0.4932422 0.0000000 -0.0398703 2.6402389 0.0000000 0.0000000 0.0000000 2.7220446 19 Ba 3.4996983 -0.4932422 0.0000000 -0.0398703 2.6402389 0.0000000 0.0000000 0.0000000 2.7220446 20 Ba 3.4996983 0.4932422 0.0000000 0.0398703 2.6402389 0.0000000 0.0000000 0.0000000 2.7220446 21 U 5.2296410 -0.1643358 0.3668102 0.6179171 6.2976837 -0.0722642 -0.3117507 0.0438728 6.5670993 22 U 5.2296410 0.1643358 -0.3668102 -0.6179171 6.2976837 -0.0722642 0.3117507 0.0438728 6.5670993 23 U 5.2296410 0.1643358 0.3668102 -0.6179171 6.2976837 0.0722642 -0.3117507 -0.0438728 6.5670993 24 U 5.2296410 -0.1643358 -0.3668102 0.6179171 6.2976837 0.0722642 0.3117507 -0.0438728 6.5670993 ---------------------------------------------------------------------------- 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[ 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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: 0.00000004 (yx) 0.00000004 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:58:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:58:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.798823560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.091029270000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.189294730000002 Atomic positions (fractional): 1 O 0.11656583737388 0.97325052522270 0.75000000000000 15.999 2 O 0.11656583737388 0.52674947477730 0.25000000000000 15.999 3 O 0.88343416262612 0.47325052522270 0.75000000000000 15.999 4 O 0.88343416262612 0.02674947477730 0.25000000000000 15.999 5 O 0.14699346023136 0.25000000000000 0.50000000000000 15.999 6 O 0.85300653976864 0.75000000000000 0.00000000000000 15.999 7 O 0.85300653976864 0.75000000000000 0.50000000000000 15.999 8 O 0.14699346023136 0.25000000000000 0.00000000000000 15.999 9 O 0.29765958504120 0.92372831335654 0.06918734932400 15.999 10 O 0.29765958504120 0.57627168664346 0.93081265067601 15.999 11 O 0.70234041495880 0.42372831335654 0.43081265067600 15.999 12 O 0.70234041495880 0.07627168664346 0.56918734932399 15.999 13 O 0.70234041495880 0.07627168664346 0.93081265067601 15.999 14 O 0.70234041495880 0.42372831335654 0.06918734932400 15.999 15 O 0.29765958504120 0.57627168664346 0.56918734932399 15.999 16 O 0.29765958504120 0.92372831335654 0.43081265067600 15.999 17 Ba 0.48183538788544 0.19337041698216 0.25000000000000 137.327 18 Ba 0.48183538788544 0.30662958301784 0.75000000000000 137.327 19 Ba 0.51816461211456 0.69337041698216 0.25000000000000 137.327 20 Ba 0.51816461211456 0.80662958301784 0.75000000000000 137.327 21 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 22 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 23 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 24 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.597647120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.182058540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.189294730000002 Atomic positions (fractional): 1 O 0.05828291868694 0.48662526261135 0.75000000000000 15.999 > 1 2 O 0.55828291868694 0.48662526261135 0.75000000000000 15.999 > 1 3 O 0.05828291868694 0.98662526261135 0.75000000000000 15.999 > 1 4 O 0.55828291868694 0.98662526261135 0.75000000000000 15.999 > 1 5 O 0.05828291868694 0.26337473738865 0.25000000000000 15.999 > 5 6 O 0.55828291868694 0.26337473738865 0.25000000000000 15.999 > 5 7 O 0.05828291868694 0.76337473738865 0.25000000000000 15.999 > 5 8 O 0.55828291868694 0.76337473738865 0.25000000000000 15.999 > 5 9 O 0.44171708131306 0.23662526261135 0.75000000000000 15.999 > 9 10 O 0.94171708131306 0.23662526261135 0.75000000000000 15.999 > 9 11 O 0.44171708131306 0.73662526261135 0.75000000000000 15.999 > 9 12 O 0.94171708131306 0.73662526261135 0.75000000000000 15.999 > 9 13 O 0.44171708131306 0.01337473738865 0.25000000000000 15.999 > 13 14 O 0.94171708131306 0.01337473738865 0.25000000000000 15.999 > 13 15 O 0.44171708131306 0.51337473738865 0.25000000000000 15.999 > 13 16 O 0.94171708131306 0.51337473738865 0.25000000000000 15.999 > 13 17 O 0.07349673011568 0.12500000000000 0.50000000000000 15.999 > 17 18 O 0.57349673011568 0.12500000000000 0.50000000000000 15.999 > 17 19 O 0.07349673011568 0.62500000000000 0.50000000000000 15.999 > 17 20 O 0.57349673011568 0.62500000000000 0.50000000000000 15.999 > 17 21 O 0.42650326988432 0.37500000000000 0.00000000000000 15.999 > 21 22 O 0.92650326988432 0.37500000000000 0.00000000000000 15.999 > 21 23 O 0.42650326988432 0.87500000000000 0.00000000000000 15.999 > 21 24 O 0.92650326988432 0.87500000000000 0.00000000000000 15.999 > 21 25 O 0.42650326988432 0.37500000000000 0.50000000000000 15.999 > 25 26 O 0.92650326988432 0.37500000000000 0.50000000000000 15.999 > 25 27 O 0.42650326988432 0.87500000000000 0.50000000000000 15.999 > 25 28 O 0.92650326988432 0.87500000000000 0.50000000000000 15.999 > 25 29 O 0.07349673011568 0.12500000000000 0.00000000000000 15.999 > 29 30 O 0.57349673011568 0.12500000000000 0.00000000000000 15.999 > 29 31 O 0.07349673011568 0.62500000000000 0.00000000000000 15.999 > 29 32 O 0.57349673011568 0.62500000000000 0.00000000000000 15.999 > 29 33 O 0.14882979252060 0.46186415667827 0.06918734932400 15.999 > 33 34 O 0.64882979252060 0.46186415667827 0.06918734932400 15.999 > 33 35 O 0.14882979252060 0.96186415667827 0.06918734932400 15.999 > 33 36 O 0.64882979252060 0.96186415667827 0.06918734932400 15.999 > 33 37 O 0.14882979252060 0.28813584332173 0.93081265067601 15.999 > 37 38 O 0.64882979252060 0.28813584332173 0.93081265067601 15.999 > 37 39 O 0.14882979252060 0.78813584332173 0.93081265067601 15.999 > 37 40 O 0.64882979252060 0.78813584332173 0.93081265067601 15.999 > 37 41 O 0.35117020747940 0.21186415667827 0.43081265067600 15.999 > 41 42 O 0.85117020747940 0.21186415667827 0.43081265067600 15.999 > 41 43 O 0.35117020747940 0.71186415667827 0.43081265067600 15.999 > 41 44 O 0.85117020747940 0.71186415667827 0.43081265067600 15.999 > 41 45 O 0.35117020747940 0.03813584332173 0.56918734932399 15.999 > 45 46 O 0.85117020747940 0.03813584332173 0.56918734932399 15.999 > 45 47 O 0.35117020747940 0.53813584332173 0.56918734932399 15.999 > 45 48 O 0.85117020747940 0.53813584332173 0.56918734932399 15.999 > 45 49 O 0.35117020747940 0.03813584332173 0.93081265067601 15.999 > 49 50 O 0.85117020747940 0.03813584332173 0.93081265067601 15.999 > 49 51 O 0.35117020747940 0.53813584332173 0.93081265067601 15.999 > 49 52 O 0.85117020747940 0.53813584332173 0.93081265067601 15.999 > 49 53 O 0.35117020747940 0.21186415667827 0.06918734932400 15.999 > 53 54 O 0.85117020747940 0.21186415667827 0.06918734932400 15.999 > 53 55 O 0.35117020747940 0.71186415667827 0.06918734932400 15.999 > 53 56 O 0.85117020747940 0.71186415667827 0.06918734932400 15.999 > 53 57 O 0.14882979252060 0.28813584332173 0.56918734932399 15.999 > 57 58 O 0.64882979252060 0.28813584332173 0.56918734932399 15.999 > 57 59 O 0.14882979252060 0.78813584332173 0.56918734932399 15.999 > 57 60 O 0.64882979252060 0.78813584332173 0.56918734932399 15.999 > 57 61 O 0.14882979252060 0.46186415667827 0.43081265067600 15.999 > 61 62 O 0.64882979252060 0.46186415667827 0.43081265067600 15.999 > 61 63 O 0.14882979252060 0.96186415667827 0.43081265067600 15.999 > 61 64 O 0.64882979252060 0.96186415667827 0.43081265067600 15.999 > 61 65 Ba 0.24091769394272 0.09668520849108 0.25000000000000 137.327 > 65 66 Ba 0.74091769394272 0.09668520849108 0.25000000000000 137.327 > 65 67 Ba 0.24091769394272 0.59668520849108 0.25000000000000 137.327 > 65 68 Ba 0.74091769394272 0.59668520849108 0.25000000000000 137.327 > 65 69 Ba 0.24091769394272 0.15331479150892 0.75000000000000 137.327 > 69 70 Ba 0.74091769394272 0.15331479150892 0.75000000000000 137.327 > 69 71 Ba 0.24091769394272 0.65331479150892 0.75000000000000 137.327 > 69 72 Ba 0.74091769394272 0.65331479150892 0.75000000000000 137.327 > 69 73 Ba 0.25908230605728 0.34668520849108 0.25000000000000 137.327 > 73 74 Ba 0.75908230605728 0.34668520849108 0.25000000000000 137.327 > 73 75 Ba 0.25908230605728 0.84668520849108 0.25000000000000 137.327 > 73 76 Ba 0.75908230605728 0.84668520849108 0.25000000000000 137.327 > 73 77 Ba 0.25908230605728 0.40331479150892 0.75000000000000 137.327 > 77 78 Ba 0.75908230605728 0.40331479150892 0.75000000000000 137.327 > 77 79 Ba 0.25908230605728 0.90331479150892 0.75000000000000 137.327 > 77 80 Ba 0.75908230605728 0.90331479150892 0.75000000000000 137.327 > 77 81 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 81 82 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 81 83 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 81 84 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 81 85 U 0.00000000000000 0.25000000000000 0.00000000000000 238.029 > 85 86 U 0.50000000000000 0.25000000000000 0.00000000000000 238.029 > 85 87 U 0.00000000000000 0.75000000000000 0.00000000000000 238.029 > 85 88 U 0.50000000000000 0.75000000000000 0.00000000000000 238.029 > 85 89 U 0.00000000000000 0.25000000000000 0.50000000000000 238.029 > 89 90 U 0.50000000000000 0.25000000000000 0.50000000000000 238.029 > 89 91 U 0.00000000000000 0.75000000000000 0.50000000000000 238.029 > 89 92 U 0.50000000000000 0.75000000000000 0.50000000000000 238.029 > 89 93 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 93 94 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 93 95 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 93 96 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4576486 0.0000000 0.0000000 0.0000000 4.9548359 0.0000000 0.0000000 0.0000000 5.0529971 -------------------------- Born effective charges -------------------------- 1 O -1.4118453 0.1695748 0.0000000 0.1898616 -1.0130401 0.0000000 0.0000000 0.0000000 -5.2223236 2 O -1.4118453 -0.1695748 0.0000000 -0.1898616 -1.0130401 0.0000000 0.0000000 0.0000000 -5.2223236 3 O -1.4118453 -0.1695748 0.0000000 -0.1898616 -1.0130401 0.0000000 0.0000000 0.0000000 -5.2223236 4 O -1.4118453 0.1695748 0.0000000 0.1898616 -1.0130401 0.0000000 0.0000000 0.0000000 -5.2223236 5 O -1.5426757 0.0000000 0.0000000 0.0000000 -4.8901583 -0.0809651 0.0000000 -0.0347651 -1.1544130 6 O -1.5426757 0.0000000 0.0000000 0.0000000 -4.8901583 0.0809651 0.0000000 0.0347651 -1.1544130 7 O -1.5426757 0.0000000 0.0000000 0.0000000 -4.8901583 -0.0809651 0.0000000 -0.0347651 -1.1544130 8 O -1.5426757 0.0000000 0.0000000 0.0000000 -4.8901583 0.0809651 0.0000000 0.0347651 -1.1544130 9 O -2.8874092 0.6224852 -0.7528641 0.7221379 -1.5173621 0.1514114 -0.8168904 0.2245982 -1.4562036 10 O -2.8874092 -0.6224852 0.7528641 -0.7221379 -1.5173621 0.1514114 0.8168904 0.2245982 -1.4562036 11 O -2.8874092 -0.6224852 -0.7528641 -0.7221379 -1.5173621 -0.1514114 -0.8168904 -0.2245982 -1.4562036 12 O -2.8874092 0.6224852 0.7528641 0.7221379 -1.5173621 -0.1514114 0.8168904 -0.2245982 -1.4562036 13 O -2.8874092 0.6224852 -0.7528641 0.7221379 -1.5173621 0.1514114 -0.8168904 0.2245982 -1.4562036 14 O -2.8874092 -0.6224852 0.7528641 -0.7221379 -1.5173621 0.1514114 0.8168904 0.2245982 -1.4562036 15 O -2.8874092 -0.6224852 -0.7528641 -0.7221379 -1.5173621 -0.1514114 -0.8168904 -0.2245982 -1.4562036 16 O -2.8874092 0.6224852 0.7528641 0.7221379 -1.5173621 -0.1514114 0.8168904 -0.2245982 -1.4562036 17 Ba 3.4996983 0.4932422 0.0000000 0.0398703 2.6402389 0.0000000 0.0000000 0.0000000 2.7220446 18 Ba 3.4996983 -0.4932422 0.0000000 -0.0398703 2.6402389 0.0000000 0.0000000 0.0000000 2.7220446 19 Ba 3.4996983 -0.4932422 0.0000000 -0.0398703 2.6402389 0.0000000 0.0000000 0.0000000 2.7220446 20 Ba 3.4996983 0.4932422 0.0000000 0.0398703 2.6402389 0.0000000 0.0000000 0.0000000 2.7220446 21 U 5.2296410 -0.1643358 0.3668102 0.6179171 6.2976837 -0.0722642 -0.3117507 0.0438728 6.5670993 22 U 5.2296410 0.1643358 -0.3668102 -0.6179171 6.2976837 -0.0722642 0.3117507 0.0438728 6.5670993 23 U 5.2296410 0.1643358 0.3668102 -0.6179171 6.2976837 0.0722642 -0.3117507 -0.0438728 6.5670993 24 U 5.2296410 -0.1643358 -0.3668102 0.6179171 6.2976837 0.0722642 0.3117507 -0.0438728 6.5670993 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 9 6 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 80 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 1.588 ( 0.000 0.000 0.000) 0.000 1.776 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 4.974 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.478 ( 0.000 0.000 0.000) 0.000 6.813 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 7.011 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.304 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.852 ( 0.000 0.000 0.000) 0.000 8.269 ( 0.000 0.000 0.000) 0.000 8.358 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 10.251 ( 0.000 0.000 0.000) 0.000 10.349 ( 0.000 0.000 0.000) 0.000 10.582 ( 0.000 0.000 0.000) 0.000 10.800 ( 0.000 0.000 0.000) 0.000 11.064 ( 0.000 0.000 0.000) 0.000 11.101 ( 0.000 0.000 0.000) 0.000 11.246 ( 0.000 0.000 0.000) 0.000 11.297 ( 0.000 0.000 0.000) 0.000 12.519 ( 0.000 0.000 0.000) 0.000 12.630 ( 0.000 0.000 0.000) 0.000 13.732 ( 0.000 0.000 0.000) 0.000 13.769 ( 0.000 0.000 0.000) 0.000 15.066 ( 0.000 0.000 0.000) 0.000 15.621 ( 0.000 0.000 0.000) 0.000 15.690 ( 0.000 0.000 0.000) 0.000 19.848 ( 0.000 0.000 0.000) 0.000 20.635 ( 0.000 0.000 0.000) 0.000 21.290 ( 0.000 0.000 0.000) 0.000 21.298 ( 0.000 0.000 0.000) 0.000 21.556 ( 0.000 0.000 0.000) 0.000 21.838 ( 0.000 0.000 0.000) 0.000 22.284 ( 0.000 0.000 0.000) 0.000 22.577 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.11 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( 14.460 0.000 0.000) 14.460 0.461 ( 23.660 0.000 0.000) 23.660 0.816 ( 41.439 0.000 0.000) 41.439 1.519 ( -0.486 0.000 0.000) 0.486 1.993 ( 15.582 0.000 0.000) 15.582 2.001 ( -4.867 0.000 0.000) 4.867 2.127 ( 0.157 0.000 0.000) 0.157 2.198 ( 2.035 0.000 0.000) 2.035 2.352 ( 2.730 0.000 0.000) 2.730 2.567 ( -10.728 0.000 0.000) 10.728 2.587 ( 0.244 0.000 0.000) 0.244 2.814 ( -7.733 0.000 0.000) 7.733 2.889 ( -1.849 0.000 0.000) 1.849 2.965 ( -6.185 0.000 0.000) 6.185 3.118 ( 1.514 0.000 0.000) 1.514 3.146 ( -8.041 0.000 0.000) 8.041 3.296 ( 12.451 0.000 0.000) 12.451 3.314 ( -2.217 0.000 0.000) 2.217 3.315 ( 2.365 0.000 0.000) 2.365 3.702 ( 3.632 0.000 0.000) 3.632 4.061 ( -0.569 0.000 0.000) 0.569 4.755 ( -0.053 0.000 0.000) 0.053 4.818 ( -0.984 0.000 0.000) 0.984 5.001 ( 2.675 0.000 0.000) 2.675 5.017 ( -2.215 0.000 0.000) 2.215 5.385 ( -6.824 0.000 0.000) 6.824 5.611 ( -0.671 0.000 0.000) 0.671 5.822 ( 1.152 0.000 0.000) 1.152 5.972 ( 0.109 0.000 0.000) 0.109 6.224 ( 0.595 0.000 0.000) 0.595 6.355 ( -3.257 0.000 0.000) 3.257 6.444 ( -3.426 0.000 0.000) 3.426 6.694 ( -15.867 0.000 0.000) 15.867 6.742 ( -6.905 0.000 0.000) 6.905 6.989 ( -1.346 0.000 0.000) 1.346 7.139 ( -10.392 0.000 0.000) 10.392 7.195 ( -6.733 0.000 0.000) 6.733 7.231 ( 8.578 0.000 0.000) 8.578 7.267 ( -10.090 0.000 0.000) 10.090 7.304 ( -0.035 0.000 0.000) 0.035 7.455 ( -0.460 0.000 0.000) 0.460 7.847 ( 14.925 0.000 0.000) 14.925 7.918 ( 6.279 0.000 0.000) 6.279 8.351 ( 6.748 0.000 0.000) 6.748 8.424 ( 6.648 0.000 0.000) 6.648 8.636 ( 3.065 0.000 0.000) 3.065 8.667 ( 6.432 0.000 0.000) 6.432 9.249 ( 2.051 0.000 0.000) 2.051 9.597 ( 0.531 0.000 0.000) 0.531 10.240 ( -1.021 0.000 0.000) 1.021 10.335 ( -1.470 0.000 0.000) 1.470 10.569 ( -1.300 0.000 0.000) 1.300 10.965 ( -4.970 0.000 0.000) 4.970 11.023 ( -3.967 0.000 0.000) 3.967 11.208 ( 6.898 0.000 0.000) 6.898 11.208 ( -4.077 0.000 0.000) 4.077 12.044 ( -1.554 0.000 0.000) 1.554 12.514 ( -0.454 0.000 0.000) 0.454 12.645 ( 1.588 0.000 0.000) 1.588 13.732 ( -0.054 0.000 0.000) 0.054 13.767 ( -0.219 0.000 0.000) 0.219 15.027 ( -3.942 0.000 0.000) 3.942 15.464 ( -21.861 0.000 0.000) 21.861 15.481 ( -13.662 0.000 0.000) 13.662 20.018 ( 16.226 0.000 0.000) 16.226 20.724 ( 8.634 0.000 0.000) 8.634 21.278 ( -1.519 0.000 0.000) 1.519 21.598 ( 4.251 0.000 0.000) 4.251 21.884 ( 4.078 0.000 0.000) 4.078 22.294 ( 1.027 0.000 0.000) 1.027 22.578 ( 0.122 0.000 0.000) 0.122 24.200 ( -2.983 0.000 0.000) 2.983 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.22 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 19.512 0.000 0.000) 19.512 0.898 ( 21.656 0.000 0.000) 21.656 1.541 ( 31.449 0.000 0.000) 31.449 1.617 ( 9.581 0.000 0.000) 9.581 1.906 ( -4.530 0.000 0.000) 4.530 2.162 ( 5.742 0.000 0.000) 5.742 2.235 ( -0.984 0.000 0.000) 0.984 2.267 ( 10.835 0.000 0.000) 10.835 2.365 ( -6.334 0.000 0.000) 6.334 2.399 ( 1.989 0.000 0.000) 1.989 2.564 ( -3.160 0.000 0.000) 3.160 2.634 ( -9.096 0.000 0.000) 9.096 2.820 ( -8.059 0.000 0.000) 8.059 2.880 ( 0.123 0.000 0.000) 0.123 2.982 ( -9.063 0.000 0.000) 9.063 3.152 ( 1.932 0.000 0.000) 1.932 3.229 ( -5.838 0.000 0.000) 5.838 3.397 ( 6.246 0.000 0.000) 6.246 3.522 ( 10.621 0.000 0.000) 10.621 3.763 ( 2.183 0.000 0.000) 2.183 4.047 ( -0.857 0.000 0.000) 0.857 4.758 ( 0.363 0.000 0.000) 0.363 4.792 ( -1.554 0.000 0.000) 1.554 4.894 ( -11.757 0.000 0.000) 11.757 5.068 ( 4.049 0.000 0.000) 4.049 5.270 ( -3.634 0.000 0.000) 3.634 5.580 ( -2.496 0.000 0.000) 2.496 5.846 ( 1.084 0.000 0.000) 1.084 5.975 ( 0.216 0.000 0.000) 0.216 6.140 ( -11.502 0.000 0.000) 11.502 6.279 ( -4.579 0.000 0.000) 4.579 6.349 ( -6.510 0.000 0.000) 6.510 6.506 ( -1.288 0.000 0.000) 1.288 6.581 ( -8.928 0.000 0.000) 8.928 6.854 ( -10.854 0.000 0.000) 10.854 6.940 ( -14.213 0.000 0.000) 14.213 7.014 ( -2.948 0.000 0.000) 2.948 7.202 ( -1.838 0.000 0.000) 1.838 7.301 ( -0.226 0.000 0.000) 0.226 7.334 ( 2.566 0.000 0.000) 2.566 7.451 ( 0.121 0.000 0.000) 0.121 8.063 ( 8.180 0.000 0.000) 8.180 8.127 ( 14.170 0.000 0.000) 14.170 8.473 ( 5.514 0.000 0.000) 5.514 8.595 ( 10.543 0.000 0.000) 10.543 8.723 ( 5.843 0.000 0.000) 5.843 8.833 ( 9.843 0.000 0.000) 9.843 9.292 ( 2.066 0.000 0.000) 2.066 9.609 ( 0.624 0.000 0.000) 0.624 10.218 ( -1.079 0.000 0.000) 1.079 10.293 ( -3.007 0.000 0.000) 3.007 10.537 ( -1.921 0.000 0.000) 1.921 10.880 ( -3.828 0.000 0.000) 3.828 10.929 ( -5.428 0.000 0.000) 5.428 11.092 ( -7.762 0.000 0.000) 7.762 11.343 ( 7.069 0.000 0.000) 7.069 12.000 ( -2.904 0.000 0.000) 2.904 12.505 ( -0.382 0.000 0.000) 0.382 12.689 ( 2.858 0.000 0.000) 2.858 13.732 ( 0.117 0.000 0.000) 0.117 13.762 ( -0.174 0.000 0.000) 0.174 14.925 ( -6.366 0.000 0.000) 6.366 14.943 ( -30.036 0.000 0.000) 30.036 15.151 ( -19.178 0.000 0.000) 19.178 20.391 ( 20.738 0.000 0.000) 20.738 20.927 ( 11.487 0.000 0.000) 11.487 21.261 ( 0.108 0.000 0.000) 0.108 21.705 ( 6.354 0.000 0.000) 6.354 21.965 ( 3.798 0.000 0.000) 3.798 22.319 ( 1.478 0.000 0.000) 1.478 22.580 ( 0.079 0.000 0.000) 0.079 24.125 ( -4.540 0.000 0.000) 4.540 ======================= Grid point 3 (4/80) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 22.210 0.000 0.000) 22.210 1.271 ( 16.470 0.000 0.000) 16.470 1.810 ( 7.422 0.000 0.000) 7.422 1.848 ( -0.804 0.000 0.000) 0.804 1.851 ( 2.750 0.000 0.000) 2.750 2.098 ( -8.384 0.000 0.000) 8.384 2.293 ( -5.499 0.000 0.000) 5.499 2.406 ( 5.850 0.000 0.000) 5.850 2.407 ( -3.347 0.000 0.000) 3.347 2.480 ( -3.174 0.000 0.000) 3.174 2.486 ( 23.945 0.000 0.000) 23.945 2.581 ( 1.876 0.000 0.000) 1.876 2.695 ( -2.840 0.000 0.000) 2.840 2.812 ( -8.180 0.000 0.000) 8.180 2.875 ( -0.942 0.000 0.000) 0.942 3.130 ( -3.361 0.000 0.000) 3.361 3.186 ( 1.481 0.000 0.000) 1.481 3.539 ( 7.681 0.000 0.000) 7.681 3.693 ( 6.990 0.000 0.000) 6.990 3.778 ( -0.554 0.000 0.000) 0.554 4.034 ( -0.177 0.000 0.000) 0.177 4.591 ( -18.386 0.000 0.000) 18.386 4.763 ( -1.397 0.000 0.000) 1.397 4.768 ( 0.599 0.000 0.000) 0.599 5.143 ( 3.523 0.000 0.000) 3.523 5.242 ( -0.208 0.000 0.000) 0.208 5.524 ( -3.052 0.000 0.000) 3.052 5.857 ( 0.025 0.000 0.000) 0.025 5.879 ( -12.949 0.000 0.000) 12.949 5.980 ( 0.240 0.000 0.000) 0.240 6.177 ( -5.805 0.000 0.000) 5.805 6.203 ( -8.034 0.000 0.000) 8.034 6.433 ( -5.932 0.000 0.000) 5.932 6.560 ( 4.424 0.000 0.000) 4.424 6.694 ( -5.041 0.000 0.000) 5.041 6.702 ( -10.107 0.000 0.000) 10.107 6.953 ( -3.520 0.000 0.000) 3.520 7.170 ( -1.385 0.000 0.000) 1.385 7.298 ( -0.150 0.000 0.000) 0.150 7.350 ( -0.397 0.000 0.000) 0.397 7.456 ( 0.287 0.000 0.000) 0.287 8.211 ( 6.769 0.000 0.000) 6.769 8.382 ( 12.040 0.000 0.000) 12.040 8.561 ( 3.684 0.000 0.000) 3.684 8.799 ( 9.921 0.000 0.000) 9.921 8.845 ( 6.258 0.000 0.000) 6.258 9.006 ( 7.521 0.000 0.000) 7.521 9.314 ( 0.028 0.000 0.000) 0.028 9.618 ( 0.287 0.000 0.000) 0.287 10.204 ( -0.421 0.000 0.000) 0.421 10.223 ( -3.999 0.000 0.000) 3.999 10.503 ( -1.444 0.000 0.000) 1.444 10.818 ( -2.579 0.000 0.000) 2.579 10.831 ( -4.395 0.000 0.000) 4.395 10.933 ( -8.089 0.000 0.000) 8.089 11.473 ( 6.270 0.000 0.000) 6.270 11.936 ( -3.656 0.000 0.000) 3.656 12.503 ( 0.236 0.000 0.000) 0.236 12.745 ( 2.740 0.000 0.000) 2.740 13.738 ( 0.496 0.000 0.000) 0.496 13.764 ( 0.515 0.000 0.000) 0.515 14.396 ( -25.356 0.000 0.000) 25.356 14.802 ( -5.841 0.000 0.000) 5.841 14.804 ( -15.769 0.000 0.000) 15.769 20.752 ( 15.755 0.000 0.000) 15.755 21.129 ( 8.838 0.000 0.000) 8.838 21.280 ( 1.558 0.000 0.000) 1.558 21.822 ( 5.434 0.000 0.000) 5.434 22.019 ( 1.813 0.000 0.000) 1.813 22.346 ( 1.187 0.000 0.000) 1.187 22.580 ( -0.077 0.000 0.000) 0.077 24.040 ( -3.961 0.000 0.000) 3.961 ======================= Grid point 4 (5/80) ======================= q-point: ( 0.44 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 19.751 0.000 0.000) 19.751 1.484 ( 5.141 0.000 0.000) 5.141 1.758 ( -12.195 0.000 0.000) 12.195 1.842 ( -1.188 0.000 0.000) 1.188 1.895 ( 4.695 0.000 0.000) 4.695 1.982 ( -3.272 0.000 0.000) 3.272 2.270 ( -7.182 0.000 0.000) 7.182 2.286 ( 3.919 0.000 0.000) 3.919 2.472 ( 0.311 0.000 0.000) 0.311 2.510 ( 3.739 0.000 0.000) 3.739 2.586 ( 0.035 0.000 0.000) 0.035 2.595 ( -1.340 0.000 0.000) 1.340 2.672 ( -6.336 0.000 0.000) 6.336 2.847 ( -1.419 0.000 0.000) 1.419 2.970 ( 15.661 0.000 0.000) 15.661 3.115 ( 0.749 0.000 0.000) 0.749 3.201 ( -0.206 0.000 0.000) 0.206 3.655 ( 3.578 0.000 0.000) 3.578 3.758 ( -0.913 0.000 0.000) 0.913 3.784 ( 2.471 0.000 0.000) 2.471 4.060 ( 3.931 0.000 0.000) 3.931 4.250 ( -15.219 0.000 0.000) 15.219 4.743 ( -0.550 0.000 0.000) 0.550 4.777 ( 0.279 0.000 0.000) 0.279 5.192 ( 1.380 0.000 0.000) 1.380 5.244 ( 0.173 0.000 0.000) 0.173 5.477 ( -1.459 0.000 0.000) 1.459 5.698 ( -5.119 0.000 0.000) 5.119 5.851 ( -0.376 0.000 0.000) 0.376 5.984 ( 0.148 0.000 0.000) 0.148 6.080 ( -3.816 0.000 0.000) 3.816 6.085 ( -2.943 0.000 0.000) 2.943 6.358 ( -1.965 0.000 0.000) 1.965 6.569 ( -3.557 0.000 0.000) 3.557 6.629 ( 2.116 0.000 0.000) 2.116 6.649 ( -0.500 0.000 0.000) 0.500 6.895 ( -1.999 0.000 0.000) 1.999 7.152 ( -0.494 0.000 0.000) 0.494 7.296 ( -0.037 0.000 0.000) 0.037 7.337 ( -0.552 0.000 0.000) 0.552 7.460 ( 0.123 0.000 0.000) 0.123 8.305 ( 2.681 0.000 0.000) 2.681 8.559 ( 5.378 0.000 0.000) 5.378 8.610 ( 1.337 0.000 0.000) 1.337 8.939 ( 2.937 0.000 0.000) 2.937 8.943 ( 4.301 0.000 0.000) 4.301 9.105 ( 2.688 0.000 0.000) 2.688 9.299 ( -1.019 0.000 0.000) 1.019 9.620 ( 0.019 0.000 0.000) 0.019 10.158 ( -2.160 0.000 0.000) 2.160 10.200 ( -0.013 0.000 0.000) 0.013 10.485 ( -0.479 0.000 0.000) 0.479 10.775 ( -1.219 0.000 0.000) 1.219 10.784 ( -0.955 0.000 0.000) 0.955 10.811 ( -3.971 0.000 0.000) 3.971 11.569 ( 3.170 0.000 0.000) 3.170 11.873 ( -2.279 0.000 0.000) 2.279 12.511 ( 0.369 0.000 0.000) 0.369 12.784 ( 1.115 0.000 0.000) 1.115 13.748 ( 0.404 0.000 0.000) 0.404 13.789 ( 2.071 0.000 0.000) 2.071 14.027 ( -11.764 0.000 0.000) 11.764 14.587 ( -6.122 0.000 0.000) 6.122 14.720 ( -2.356 0.000 0.000) 2.356 20.963 ( 5.786 0.000 0.000) 5.786 21.247 ( 3.239 0.000 0.000) 3.239 21.307 ( 0.904 0.000 0.000) 0.904 21.897 ( 2.107 0.000 0.000) 2.107 22.039 ( 0.402 0.000 0.000) 0.402 22.362 ( 0.435 0.000 0.000) 0.435 22.578 ( -0.082 0.000 0.000) 0.082 23.985 ( -1.556 0.000 0.000) 1.556 ======================= Grid point 9 (6/80) ======================= q-point: ( 0.00 0.17 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 0.000 20.586 0.000) 20.586 0.473 ( 0.000 22.625 0.000) 22.625 1.006 ( 0.000 47.151 0.000) 47.151 1.756 ( 0.000 -5.767 0.000) 5.767 1.834 ( 0.000 20.599 0.000) 20.599 1.940 ( 0.000 -9.790 0.000) 9.790 2.195 ( 0.000 6.024 0.000) 6.024 2.213 ( 0.000 2.144 0.000) 2.144 2.443 ( 0.000 10.511 0.000) 10.511 2.545 ( 0.000 -3.346 0.000) 3.346 2.701 ( 0.000 1.580 0.000) 1.580 2.920 ( 0.000 -4.098 0.000) 4.098 2.927 ( 0.000 -3.328 0.000) 3.328 2.979 ( 0.000 2.231 0.000) 2.231 3.172 ( 0.000 6.146 0.000) 6.146 3.176 ( 0.000 6.339 0.000) 6.339 3.278 ( 0.000 -1.526 0.000) 1.526 3.279 ( 0.000 1.880 0.000) 1.880 3.347 ( 0.000 4.836 0.000) 4.836 3.560 ( 0.000 -8.690 0.000) 8.690 3.623 ( 0.000 -3.959 0.000) 3.959 4.279 ( 0.000 -7.296 0.000) 7.296 4.630 ( 0.000 -12.434 0.000) 12.434 4.692 ( 0.000 -12.223 0.000) 12.223 5.074 ( 0.000 8.538 0.000) 8.538 5.278 ( 0.000 -0.926 0.000) 0.926 5.504 ( 0.000 -7.839 0.000) 7.839 5.870 ( 0.000 5.551 0.000) 5.551 6.065 ( 0.000 4.057 0.000) 4.057 6.075 ( 0.000 -11.230 0.000) 11.230 6.358 ( 0.000 -2.715 0.000) 2.715 6.562 ( 0.000 5.946 0.000) 5.946 6.787 ( 0.000 -2.302 0.000) 2.302 6.841 ( 0.000 -13.051 0.000) 13.051 6.872 ( 0.000 -5.407 0.000) 5.407 7.013 ( 0.000 1.763 0.000) 1.763 7.223 ( 0.000 -2.220 0.000) 2.220 7.344 ( 0.000 -0.472 0.000) 0.472 7.448 ( 0.000 9.055 0.000) 9.055 7.482 ( 0.000 -8.090 0.000) 8.090 7.692 ( 0.000 18.667 0.000) 18.667 7.782 ( 0.000 -7.464 0.000) 7.464 8.223 ( 0.000 -4.440 0.000) 4.440 8.319 ( 0.000 -1.618 0.000) 1.618 8.654 ( 0.000 11.916 0.000) 11.916 8.743 ( 0.000 13.426 0.000) 13.426 8.852 ( 0.000 8.809 0.000) 8.809 9.200 ( 0.000 -2.630 0.000) 2.630 9.797 ( 0.000 17.585 0.000) 17.585 10.220 ( 0.000 -2.908 0.000) 2.908 10.329 ( 0.000 -1.138 0.000) 1.138 10.512 ( 0.000 -6.481 0.000) 6.481 10.692 ( 0.000 -8.312 0.000) 8.312 10.975 ( 0.000 -7.783 0.000) 7.783 11.131 ( 0.000 -0.757 0.000) 0.757 11.224 ( 0.000 -1.459 0.000) 1.459 11.347 ( 0.000 5.580 0.000) 5.580 12.308 ( 0.000 -19.887 0.000) 19.887 13.730 ( 0.000 -0.204 0.000) 0.204 13.740 ( 0.000 -2.010 0.000) 2.010 15.247 ( 0.000 16.823 0.000) 16.823 15.663 ( 0.000 3.378 0.000) 3.378 15.699 ( 0.000 0.908 0.000) 0.908 17.247 ( 0.000 -13.728 0.000) 13.728 19.907 ( 0.000 5.558 0.000) 5.558 20.588 ( 0.000 -4.457 0.000) 4.457 21.329 ( 0.000 3.592 0.000) 3.592 21.564 ( 0.000 0.647 0.000) 0.647 21.834 ( 0.000 -0.373 0.000) 0.373 22.041 ( 0.000 -3.765 0.000) 3.765 22.306 ( 0.000 2.146 0.000) 2.146 22.562 ( 0.000 -1.459 0.000) 1.459 ======================= Grid point 10 (7/80) ======================= q-point: ( 0.11 0.17 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 15.661 15.429 0.000) 21.985 0.663 ( 17.703 15.828 0.000) 23.747 1.127 ( 14.567 32.152 0.000) 35.298 1.689 ( 2.245 10.320 0.000) 10.561 1.920 ( -2.080 -7.972 0.000) 8.239 2.013 ( 8.075 4.131 0.000) 9.070 2.203 ( -0.100 1.269 0.000) 1.273 2.235 ( 5.933 8.547 0.000) 10.405 2.450 ( -0.621 7.125 0.000) 7.152 2.555 ( 0.409 -2.810 0.000) 2.840 2.652 ( -3.963 7.348 0.000) 8.349 2.812 ( -8.466 -1.398 0.000) 8.580 2.912 ( -3.357 3.157 0.000) 4.609 3.003 ( 3.289 -7.287 0.000) 7.995 3.096 ( -7.176 9.860 0.000) 12.195 3.176 ( -7.359 2.626 0.000) 7.813 3.275 ( 4.393 -1.178 0.000) 4.548 3.323 ( -2.691 0.947 0.000) 2.853 3.338 ( 8.375 1.832 0.000) 8.573 3.627 ( 4.298 -7.823 0.000) 8.926 3.773 ( 8.683 -16.269 0.000) 18.441 4.397 ( 9.310 -18.422 0.000) 20.641 4.636 ( 0.526 -11.851 0.000) 11.862 4.680 ( -1.187 -12.472 0.000) 12.528 5.098 ( 2.401 8.373 0.000) 8.711 5.276 ( -0.489 -1.188 0.000) 1.285 5.490 ( -1.277 -7.647 0.000) 7.752 5.878 ( 0.763 5.165 0.000) 5.221 6.065 ( -0.058 4.754 0.000) 4.754 6.101 ( 2.463 -10.908 0.000) 11.182 6.328 ( -2.780 -2.264 0.000) 3.585 6.508 ( -6.464 4.894 0.000) 8.108 6.619 ( -15.618 -3.666 0.000) 16.043 6.755 ( -3.704 0.914 0.000) 3.815 6.807 ( -3.563 -12.282 0.000) 12.789 7.109 ( -9.419 -1.360 0.000) 9.517 7.165 ( 6.577 -2.074 0.000) 6.896 7.297 ( -11.497 -0.084 0.000) 11.497 7.379 ( 3.762 0.181 0.000) 3.767 7.552 ( 0.922 4.229 0.000) 4.328 7.579 ( -6.362 8.955 0.000) 10.985 7.925 ( 9.359 2.412 0.000) 9.665 8.259 ( 1.672 -2.105 0.000) 2.688 8.369 ( 5.213 -2.914 0.000) 5.972 8.563 ( -8.462 29.340 0.000) 30.536 8.681 ( -0.081 7.966 0.000) 7.967 8.851 ( 5.949 12.110 0.000) 13.493 9.222 ( 2.076 -2.596 0.000) 3.324 9.804 ( 0.734 17.594 0.000) 17.609 10.191 ( -2.167 -3.918 0.000) 4.478 10.316 ( -1.274 -0.915 0.000) 1.569 10.502 ( -1.089 -6.279 0.000) 6.373 10.796 ( 2.329 -12.003 0.000) 12.226 11.025 ( 6.784 -7.580 0.000) 10.173 11.109 ( -2.156 3.008 0.000) 3.700 11.273 ( -1.232 -0.778 0.000) 1.457 11.366 ( 7.331 -7.567 0.000) 10.536 12.306 ( -0.232 -19.691 0.000) 19.692 13.727 ( -0.283 -0.661 0.000) 0.719 13.740 ( -0.056 -1.599 0.000) 1.600 15.096 ( -86.920 69.648 0.000) 111.382 15.202 ( -32.029 32.696 0.000) 45.770 15.482 ( -21.133 1.655 0.000) 21.197 15.521 ( -13.943 3.063 0.000) 14.275 20.070 ( 15.614 4.932 0.000) 16.375 20.682 ( 9.074 -4.023 0.000) 9.926 21.349 ( 0.276 6.327 0.000) 6.333 21.621 ( 4.412 1.970 0.000) 4.832 21.880 ( 4.219 -0.275 0.000) 4.228 22.316 ( 0.929 2.055 0.000) 2.255 22.564 ( 0.170 -1.416 0.000) 1.426 23.178 ( 50.445 -55.800 0.000) 75.222 ======================= Grid point 11 (8/80) ======================= q-point: ( 0.22 0.17 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 11.801 22.888 0.000) 25.751 0.988 ( 18.508 8.294 0.000) 20.281 1.518 ( 21.706 4.207 0.000) 22.110 1.851 ( 10.289 15.346 0.000) 18.476 1.871 ( -2.459 -4.105 0.000) 4.785 2.115 ( 7.245 -2.102 0.000) 7.544 2.230 ( 2.256 -0.090 0.000) 2.258 2.380 ( -5.932 3.696 0.000) 6.990 2.402 ( 7.638 7.758 0.000) 10.887 2.512 ( -3.873 0.607 0.000) 3.920 2.629 ( -8.911 0.460 0.000) 8.923 2.630 ( 0.661 12.907 0.000) 12.924 2.873 ( -1.044 -0.151 0.000) 1.055 2.925 ( -9.627 9.324 0.000) 13.402 3.009 ( -4.057 1.925 0.000) 4.491 3.079 ( -1.083 -5.130 0.000) 5.243 3.252 ( -3.693 2.443 0.000) 4.428 3.367 ( 6.156 -2.155 0.000) 6.522 3.521 ( 9.273 -0.291 0.000) 9.278 3.690 ( 1.781 -8.610 0.000) 8.792 3.874 ( 2.958 -12.465 0.000) 12.811 4.497 ( -0.561 -23.008 0.000) 23.015 4.649 ( -1.996 -13.163 0.000) 13.313 4.649 ( 0.870 -10.771 0.000) 10.806 5.160 ( 3.831 8.085 0.000) 8.947 5.258 ( -1.025 -0.194 0.000) 1.044 5.463 ( -1.482 -7.395 0.000) 7.542 5.894 ( 0.662 4.391 0.000) 4.440 6.059 ( -0.633 5.513 0.000) 5.549 6.136 ( -2.237 -4.247 0.000) 4.800 6.263 ( -3.864 -1.014 0.000) 3.995 6.274 ( -11.478 -5.458 0.000) 12.710 6.402 ( -9.302 -0.381 0.000) 9.309 6.683 ( -3.237 4.127 0.000) 5.245 6.714 ( -5.255 -9.334 0.000) 10.711 6.919 ( -11.067 -3.403 0.000) 11.578 7.038 ( -12.889 -0.656 0.000) 12.906 7.223 ( 0.369 -5.479 0.000) 5.491 7.467 ( 2.816 5.404 0.000) 6.094 7.486 ( -1.746 5.530 0.000) 5.799 7.503 ( -4.472 15.467 0.000) 16.101 8.099 ( 8.498 3.701 0.000) 9.269 8.321 ( 6.547 4.134 0.000) 7.743 8.508 ( 8.788 -5.739 0.000) 10.496 8.533 ( 2.204 15.341 0.000) 15.498 8.754 ( 6.525 5.113 0.000) 8.290 8.994 ( 8.086 12.423 0.000) 14.823 9.267 ( 2.220 -2.425 0.000) 3.288 9.823 ( 1.223 17.787 0.000) 17.829 10.153 ( -1.521 -5.477 0.000) 5.685 10.279 ( -2.733 -0.378 0.000) 2.759 10.475 ( -1.565 -5.713 0.000) 5.924 10.780 ( -1.992 -7.703 0.000) 7.957 10.999 ( -5.870 3.803 0.000) 6.994 11.110 ( -5.948 0.543 0.000) 5.973 11.278 ( 6.949 -4.078 0.000) 8.057 11.550 ( 8.767 -19.079 0.000) 20.996 12.302 ( -0.033 -19.193 0.000) 19.193 13.722 ( -0.107 -1.240 0.000) 1.245 13.738 ( -0.127 -1.196 0.000) 1.203 13.750 ( -41.093 63.472 0.000) 75.613 14.977 ( -29.178 3.178 0.000) 29.351 15.004 ( -10.423 6.819 0.000) 12.456 15.184 ( -19.555 2.342 0.000) 19.695 20.431 ( 20.076 3.722 0.000) 20.418 20.895 ( 12.072 -3.038 0.000) 12.449 21.356 ( 0.646 8.687 0.000) 8.711 21.739 ( 7.359 3.059 0.000) 7.970 21.966 ( 4.181 0.366 0.000) 4.197 22.339 ( 1.352 1.847 0.000) 2.289 22.567 ( 0.167 -1.292 0.000) 1.303 23.691 ( 11.204 -35.231 0.000) 36.969 ======================= Grid point 12 (9/80) ======================= q-point: ( 0.33 0.17 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 16.459 16.216 0.000) 23.105 1.324 ( 15.666 4.763 0.000) 16.374 1.851 ( 1.025 -0.745 0.000) 1.267 1.873 ( 8.303 4.542 0.000) 9.464 1.905 ( 4.280 4.068 0.000) 5.905 2.172 ( -7.660 5.362 0.000) 9.350 2.296 ( -2.884 1.679 0.000) 3.338 2.374 ( 4.837 -0.053 0.000) 4.837 2.412 ( -6.356 -0.561 0.000) 6.381 2.470 ( 10.197 -1.638 0.000) 10.328 2.561 ( -0.964 -0.092 0.000) 0.968 2.632 ( -0.617 14.523 0.000) 14.536 2.759 ( -7.172 5.782 0.000) 9.213 2.862 ( -0.411 -1.573 0.000) 1.626 2.946 ( 0.143 8.972 0.000) 8.973 3.091 ( 2.384 -4.049 0.000) 4.699 3.213 ( -0.306 5.326 0.000) 5.335 3.502 ( 7.175 -2.817 0.000) 7.708 3.673 ( 6.302 -1.969 0.000) 6.602 3.692 ( -1.343 -9.599 0.000) 9.692 3.916 ( 2.091 -7.983 0.000) 8.252 4.383 ( -10.175 -15.341 0.000) 18.408 4.609 ( -1.983 -14.154 0.000) 14.292 4.669 ( 1.062 -9.827 0.000) 9.884 5.234 ( 3.656 8.123 0.000) 8.908 5.246 ( -0.283 0.312 0.000) 0.421 5.431 ( -1.787 -6.449 0.000) 6.692 5.898 ( -0.262 3.735 0.000) 3.745 5.921 ( -12.871 4.008 0.000) 13.481 6.041 ( -1.345 4.621 0.000) 4.813 6.186 ( -3.554 1.267 0.000) 3.773 6.215 ( -7.035 0.433 0.000) 7.049 6.245 ( -0.872 -12.152 0.000) 12.183 6.635 ( -5.048 -4.533 0.000) 6.784 6.647 ( -0.377 4.078 0.000) 4.096 6.683 ( -8.820 -4.281 0.000) 9.804 6.868 ( -6.264 -4.823 0.000) 7.905 7.206 ( -1.623 -8.601 0.000) 8.752 7.422 ( -3.494 17.590 0.000) 17.934 7.431 ( -1.545 9.262 0.000) 9.390 7.545 ( 2.682 4.756 0.000) 5.460 8.243 ( 6.362 3.237 0.000) 7.138 8.467 ( 6.770 -2.699 0.000) 7.289 8.597 ( 4.666 12.357 0.000) 13.208 8.679 ( 8.303 -8.304 0.000) 11.743 8.894 ( 7.250 5.316 0.000) 8.990 9.135 ( 6.065 11.197 0.000) 12.735 9.294 ( 0.379 -1.967 0.000) 2.004 9.850 ( 1.591 18.725 0.000) 18.792 10.138 ( -0.001 -5.734 0.000) 5.734 10.212 ( -3.996 -0.068 0.000) 3.997 10.448 ( -1.129 -5.009 0.000) 5.135 10.744 ( -1.506 -5.950 0.000) 6.138 10.881 ( -5.864 2.874 0.000) 6.530 10.952 ( -8.546 1.493 0.000) 8.676 11.424 ( 6.979 -3.983 0.000) 8.035 11.666 ( 3.316 -16.760 0.000) 17.085 12.307 ( 0.522 -18.656 0.000) 18.663 13.260 ( -14.331 37.588 0.000) 40.227 13.726 ( 0.608 -1.757 0.000) 1.860 13.736 ( -0.000 -1.109 0.000) 1.109 14.445 ( -24.543 4.752 0.000) 24.999 14.812 ( -8.790 0.229 0.000) 8.793 14.831 ( -16.036 1.586 0.000) 16.114 20.780 ( 15.295 2.684 0.000) 15.529 21.107 ( 9.284 -2.062 0.000) 9.510 21.374 ( 1.141 8.782 0.000) 8.856 21.881 ( 6.884 4.768 0.000) 8.374 22.027 ( 1.990 1.573 0.000) 2.536 22.363 ( 1.108 1.657 0.000) 1.993 22.569 ( 0.022 -1.119 0.000) 1.119 23.790 ( 1.449 -22.423 0.000) 22.470 ======================= Grid point 13 (10/80) ======================= q-point: ( 0.44 0.17 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 15.690 7.551 0.000) 17.412 1.547 ( 6.455 4.629 0.000) 7.943 1.779 ( -8.009 6.495 0.000) 10.311 1.921 ( 5.604 0.511 0.000) 5.627 2.037 ( -5.581 5.532 0.000) 7.858 2.038 ( -2.878 13.590 0.000) 13.891 2.260 ( 6.353 -2.308 0.000) 6.759 2.264 ( -6.500 -0.396 0.000) 6.512 2.493 ( 5.289 0.626 0.000) 5.326 2.515 ( -3.347 -4.589 0.000) 5.680 2.562 ( -1.630 -5.106 0.000) 5.359 2.604 ( -2.285 11.858 0.000) 12.076 2.665 ( -2.448 3.296 0.000) 4.106 2.853 ( -0.452 0.217 0.000) 0.502 3.069 ( 9.053 1.639 0.000) 9.200 3.147 ( 1.389 0.038 0.000) 1.390 3.222 ( 0.866 10.051 0.000) 10.088 3.610 ( 3.328 -3.625 0.000) 4.921 3.652 ( -2.077 -9.989 0.000) 10.203 3.756 ( 2.228 -2.706 0.000) 3.505 3.984 ( 5.821 -5.736 0.000) 8.172 4.158 ( -11.751 -7.758 0.000) 14.081 4.580 ( -0.867 -15.008 0.000) 15.033 4.684 ( 0.430 -9.216 0.000) 9.226 5.244 ( 0.032 0.059 0.000) 0.067 5.288 ( 1.632 8.605 0.000) 8.758 5.402 ( -0.951 -5.455 0.000) 5.537 5.740 ( -5.161 4.075 0.000) 6.576 5.889 ( -0.450 3.464 0.000) 3.494 6.009 ( -1.376 2.291 0.000) 2.672 6.092 ( -3.752 0.700 0.000) 3.817 6.150 ( -0.447 5.644 0.000) 5.662 6.246 ( -0.095 -9.007 0.000) 9.007 6.485 ( -5.058 -5.555 0.000) 7.512 6.656 ( 0.677 1.898 0.000) 2.015 6.670 ( 2.025 -1.778 0.000) 2.695 6.768 ( -4.093 -8.296 0.000) 9.251 7.177 ( -1.003 -10.180 0.000) 10.229 7.376 ( -1.266 17.159 0.000) 17.206 7.414 ( -0.380 9.402 0.000) 9.409 7.577 ( 0.817 6.172 0.000) 6.225 8.331 ( 2.462 2.601 0.000) 3.582 8.544 ( 1.649 -6.219 0.000) 6.434 8.693 ( 3.656 11.357 0.000) 11.931 8.798 ( 3.466 -9.920 0.000) 10.508 9.005 ( 3.621 6.388 0.000) 7.343 9.213 ( 1.973 9.959 0.000) 10.153 9.285 ( -0.794 -1.412 0.000) 1.620 9.880 ( 1.195 20.903 0.000) 20.937 10.143 ( -2.526 -0.987 0.000) 2.712 10.146 ( 0.429 -5.042 0.000) 5.060 10.433 ( -0.367 -4.574 0.000) 4.589 10.727 ( -0.255 -5.239 0.000) 5.245 10.795 ( -2.733 1.115 0.000) 2.952 10.824 ( -3.903 0.995 0.000) 4.028 11.528 ( 3.301 -3.629 0.000) 4.906 11.690 ( -0.102 -13.165 0.000) 13.166 12.318 ( 0.452 -18.378 0.000) 18.383 13.104 ( -3.361 25.946 0.000) 26.162 13.737 ( 0.106 -0.858 0.000) 0.864 13.747 ( 1.210 -3.052 0.000) 3.283 14.095 ( -10.482 6.422 0.000) 12.293 14.610 ( -6.182 1.159 0.000) 6.290 14.691 ( -3.398 -3.374 0.000) 4.789 20.986 ( 5.621 2.102 0.000) 6.001 21.232 ( 3.398 -1.495 0.000) 3.712 21.392 ( 0.562 8.132 0.000) 8.152 21.987 ( 3.951 6.633 0.000) 7.721 22.039 ( -0.717 1.789 0.000) 1.927 22.378 ( 0.414 1.566 0.000) 1.619 22.569 ( -0.035 -0.979 0.000) 0.980 23.796 ( -0.143 -17.494 0.000) 17.494 ======================= Grid point 18 (11/80) ======================= q-point: ( 0.00 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.000 21.800 0.000) 21.800 0.925 ( 0.000 21.134 0.000) 21.134 1.551 ( 0.000 -11.226 0.000) 11.226 1.683 ( 0.000 -14.870 0.000) 14.870 1.935 ( 0.000 39.045 0.000) 39.045 2.263 ( 0.000 3.048 0.000) 3.048 2.275 ( 0.000 18.238 0.000) 18.238 2.348 ( 0.000 8.139 0.000) 8.139 2.453 ( 0.000 -5.200 0.000) 5.200 2.647 ( 0.000 7.334 0.000) 7.334 2.732 ( 0.000 1.107 0.000) 1.107 2.834 ( 0.000 -5.412 0.000) 5.412 2.868 ( 0.000 -0.959 0.000) 0.959 3.043 ( 0.000 3.903 0.000) 3.903 3.214 ( 0.000 -3.407 0.000) 3.407 3.272 ( 0.000 4.290 0.000) 4.290 3.282 ( 0.000 -17.744 0.000) 17.744 3.372 ( 0.000 7.565 0.000) 7.565 3.435 ( 0.000 17.922 0.000) 17.922 3.512 ( 0.000 9.988 0.000) 9.988 3.513 ( 0.000 -5.914 0.000) 5.914 4.083 ( 0.000 -10.923 0.000) 10.923 4.263 ( 0.000 -21.718 0.000) 21.718 4.348 ( 0.000 -20.510 0.000) 20.510 5.266 ( 0.000 0.049 0.000) 0.049 5.290 ( 0.000 11.709 0.000) 11.709 5.365 ( 0.000 -5.206 0.000) 5.206 5.809 ( 0.000 -13.556 0.000) 13.556 6.025 ( 0.000 9.164 0.000) 9.164 6.140 ( 0.000 3.254 0.000) 3.254 6.288 ( 0.000 -3.641 0.000) 3.641 6.537 ( 0.000 -14.958 0.000) 14.958 6.644 ( 0.000 1.829 0.000) 1.829 6.731 ( 0.000 -2.815 0.000) 2.815 6.906 ( 0.000 7.871 0.000) 7.871 7.061 ( 0.000 2.482 0.000) 2.482 7.197 ( 0.000 -0.130 0.000) 0.130 7.314 ( 0.000 -1.741 0.000) 1.741 7.322 ( 0.000 -6.610 0.000) 6.610 7.557 ( 0.000 -12.976 0.000) 12.976 7.668 ( 0.000 11.504 0.000) 11.504 8.068 ( 0.000 15.915 0.000) 15.915 8.092 ( 0.000 -8.062 0.000) 8.062 8.327 ( 0.000 1.293 0.000) 1.293 8.846 ( 0.000 7.529 0.000) 7.529 9.047 ( 0.000 14.210 0.000) 14.210 9.120 ( 0.000 -4.901 0.000) 4.901 9.133 ( 0.000 14.189 0.000) 14.189 10.112 ( 0.000 6.147 0.000) 6.147 10.154 ( 0.000 -2.027 0.000) 2.027 10.342 ( 0.000 -9.089 0.000) 9.089 10.462 ( 0.000 20.844 0.000) 20.844 10.484 ( 0.000 -12.080 0.000) 12.080 10.848 ( 0.000 -3.842 0.000) 3.842 10.956 ( 0.000 -9.360 0.000) 9.360 11.326 ( 0.000 5.897 0.000) 5.897 11.426 ( 0.000 1.765 0.000) 1.765 11.753 ( 0.000 -32.175 0.000) 32.175 13.713 ( 0.000 -0.530 0.000) 0.530 13.724 ( 0.000 -0.452 0.000) 0.452 15.710 ( 0.000 26.766 0.000) 26.766 15.723 ( 0.000 1.241 0.000) 1.241 15.725 ( 0.000 2.062 0.000) 2.062 16.850 ( 0.000 -24.036 0.000) 24.036 20.064 ( 0.000 9.234 0.000) 9.234 20.457 ( 0.000 -8.083 0.000) 8.083 21.427 ( 0.000 5.526 0.000) 5.526 21.571 ( 0.000 -0.361 0.000) 0.361 21.829 ( 0.000 0.132 0.000) 0.132 21.943 ( 0.000 -5.237 0.000) 5.237 22.367 ( 0.000 3.595 0.000) 3.595 22.517 ( 0.000 -2.898 0.000) 2.898 ======================= Grid point 19 (12/80) ======================= q-point: ( 0.11 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 15.680 17.085 0.000) 23.190 1.007 ( 8.099 18.235 0.000) 19.952 1.577 ( 2.423 -3.631 0.000) 4.366 1.692 ( 0.975 -13.624 0.000) 13.659 1.964 ( 4.540 28.123 0.000) 28.488 2.239 ( -3.546 14.383 0.000) 14.814 2.252 ( -0.534 3.513 0.000) 3.553 2.425 ( 5.703 7.231 0.000) 9.209 2.459 ( 0.189 -5.147 0.000) 5.151 2.598 ( -4.174 5.877 0.000) 7.209 2.748 ( 0.787 0.306 0.000) 0.844 2.777 ( -6.459 -2.291 0.000) 6.854 2.871 ( 2.325 -3.424 0.000) 4.139 3.067 ( 2.018 9.312 0.000) 9.528 3.219 ( -4.427 3.057 0.000) 5.379 3.247 ( 3.371 -1.895 0.000) 3.867 3.291 ( -0.188 -9.950 0.000) 9.952 3.347 ( -5.170 10.356 0.000) 11.575 3.456 ( 2.299 12.657 0.000) 12.864 3.464 ( -0.987 -0.761 0.000) 1.246 3.586 ( 6.169 -1.683 0.000) 6.394 4.101 ( 1.340 -13.062 0.000) 13.130 4.282 ( 1.778 -21.211 0.000) 21.285 4.330 ( -1.833 -20.829 0.000) 20.909 5.265 ( -0.121 0.163 0.000) 0.203 5.311 ( 2.178 11.668 0.000) 11.870 5.357 ( -0.715 -4.839 0.000) 4.891 5.834 ( 2.566 -13.701 0.000) 13.940 6.020 ( -0.437 8.033 0.000) 8.045 6.155 ( 1.204 4.224 0.000) 4.392 6.265 ( -2.087 -3.662 0.000) 4.214 6.530 ( -0.873 -13.373 0.000) 13.402 6.577 ( -7.050 0.906 0.000) 7.108 6.602 ( -12.815 1.172 0.000) 12.868 6.818 ( -3.458 6.340 0.000) 7.221 7.095 ( -9.661 0.275 0.000) 9.665 7.122 ( 0.365 -3.455 0.000) 3.474 7.222 ( -9.984 -5.306 0.000) 11.306 7.370 ( 6.490 0.421 0.000) 6.503 7.575 ( 1.396 -6.953 0.000) 7.092 7.709 ( 3.497 10.320 0.000) 10.896 8.115 ( 4.668 12.869 0.000) 13.690 8.131 ( 3.647 -8.449 0.000) 9.203 8.354 ( 2.801 0.512 0.000) 2.847 8.828 ( -0.415 8.286 0.000) 8.296 9.047 ( -4.677 11.070 0.000) 12.018 9.129 ( 6.190 12.743 0.000) 14.167 9.162 ( 2.368 1.531 0.000) 2.820 10.110 ( -0.217 5.611 0.000) 5.616 10.114 ( -3.434 -1.890 0.000) 3.920 10.333 ( -0.854 -8.561 0.000) 8.603 10.466 ( 0.370 21.227 0.000) 21.230 10.524 ( 2.447 -14.887 0.000) 15.087 10.915 ( 6.968 -3.007 0.000) 7.590 11.012 ( 4.844 -8.235 0.000) 9.554 11.295 ( -2.944 4.634 0.000) 5.489 11.380 ( -4.400 1.406 0.000) 4.619 11.755 ( 0.227 -31.953 0.000) 31.953 13.708 ( -0.402 -0.426 0.000) 0.586 13.724 ( -0.032 -0.585 0.000) 0.586 15.526 ( -19.213 2.412 0.000) 19.364 15.531 ( -17.499 19.583 0.000) 26.262 15.572 ( -14.999 1.309 0.000) 15.056 15.993 ( -69.028 9.991 0.000) 69.747 20.210 ( 14.037 8.255 0.000) 16.285 20.563 ( 10.303 -7.298 0.000) 12.626 21.509 ( 5.430 8.461 0.000) 10.054 21.662 ( 5.760 1.462 0.000) 5.943 21.884 ( 5.404 1.210 0.000) 5.538 22.366 ( 35.268 -26.423 0.000) 44.068 22.374 ( 0.705 3.476 0.000) 3.547 22.520 ( 0.296 -2.825 0.000) 2.841 ======================= Grid point 20 (13/80) ======================= q-point: ( 0.22 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 12.331 12.490 0.000) 17.551 1.307 ( 15.120 15.146 0.000) 21.401 1.669 ( 8.801 4.554 0.000) 9.909 1.721 ( 2.162 -10.098 0.000) 10.327 2.089 ( 1.754 2.027 0.000) 2.680 2.175 ( 2.018 14.105 0.000) 14.249 2.264 ( 1.688 3.438 0.000) 3.830 2.444 ( -2.059 -2.198 0.000) 3.012 2.484 ( 0.036 0.569 0.000) 0.570 2.505 ( -5.224 4.482 0.000) 6.884 2.670 ( -3.453 1.945 0.000) 3.963 2.759 ( 0.711 -3.897 0.000) 3.962 2.930 ( 2.523 -2.589 0.000) 3.615 3.092 ( 0.048 20.172 0.000) 20.172 3.132 ( -3.504 5.573 0.000) 6.583 3.157 ( -11.512 10.257 0.000) 15.419 3.309 ( 1.296 -5.148 0.000) 5.308 3.340 ( 6.141 -0.163 0.000) 6.143 3.479 ( 1.768 1.311 0.000) 2.201 3.524 ( 4.604 2.357 0.000) 5.172 3.719 ( 6.409 -2.774 0.000) 6.983 4.108 ( -0.982 -16.229 0.000) 16.259 4.280 ( -3.205 -21.798 0.000) 22.032 4.325 ( 2.630 -19.688 0.000) 19.862 5.261 ( -0.360 0.417 0.000) 0.551 5.341 ( -0.893 -4.246 0.000) 4.338 5.370 ( 3.783 11.688 0.000) 12.285 5.900 ( 4.000 -13.782 0.000) 14.351 6.010 ( -0.530 6.385 0.000) 6.407 6.170 ( -0.038 5.564 0.000) 5.564 6.225 ( -1.804 -3.017 0.000) 3.516 6.310 ( -15.576 4.605 0.000) 16.243 6.412 ( -10.088 0.236 0.000) 10.090 6.502 ( -1.816 -10.300 0.000) 10.459 6.766 ( -2.444 4.899 0.000) 5.475 6.871 ( -12.972 -0.662 0.000) 12.989 6.983 ( -13.152 -4.084 0.000) 13.772 7.082 ( -3.286 -8.157 0.000) 8.794 7.511 ( 6.931 2.040 0.000) 7.225 7.594 ( 0.502 1.116 0.000) 1.224 7.763 ( 1.528 11.762 0.000) 11.861 8.219 ( 5.196 -8.919 0.000) 10.322 8.228 ( 6.508 8.347 0.000) 10.585 8.433 ( 5.290 -1.768 0.000) 5.577 8.849 ( 1.979 9.174 0.000) 9.385 8.994 ( 0.600 13.979 0.000) 13.992 9.208 ( 2.670 -1.152 0.000) 2.908 9.268 ( 7.143 11.721 0.000) 13.726 10.051 ( -2.633 -2.041 0.000) 3.331 10.105 ( -0.178 4.290 0.000) 4.293 10.311 ( -1.400 -7.134 0.000) 7.270 10.474 ( 0.334 22.297 0.000) 22.299 10.545 ( -0.114 -15.575 0.000) 15.575 11.036 ( 0.286 -0.332 0.000) 0.438 11.083 ( 1.127 -2.744 0.000) 2.966 11.243 ( -0.279 0.516 0.000) 0.586 11.318 ( 1.034 -4.254 0.000) 4.378 11.763 ( 0.605 -31.458 0.000) 31.464 13.700 ( -0.370 -0.375 0.000) 0.527 13.722 ( -0.139 -0.759 0.000) 0.771 14.757 ( -52.262 32.300 0.000) 61.438 15.065 ( -26.741 4.960 0.000) 27.197 15.146 ( -22.301 5.196 0.000) 22.899 15.209 ( -21.055 -0.453 0.000) 21.060 20.536 ( 18.300 6.272 0.000) 19.345 20.806 ( 13.690 -5.546 0.000) 14.771 21.578 ( 2.002 11.230 0.000) 11.408 21.799 ( 7.526 1.187 0.000) 7.619 22.022 ( 8.642 7.399 0.000) 11.377 22.392 ( 1.047 3.189 0.000) 3.357 22.527 ( 0.395 -2.621 0.000) 2.650 22.939 ( 21.909 -34.294 0.000) 40.695 ======================= Grid point 21 (14/80) ======================= q-point: ( 0.33 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 12.309 7.519 0.000) 14.424 1.535 ( 9.370 16.005 0.000) 18.546 1.782 ( 4.309 -6.085 0.000) 7.456 1.921 ( 15.068 -0.257 0.000) 15.070 1.992 ( -5.252 3.451 0.000) 6.284 2.258 ( -4.217 3.202 0.000) 5.295 2.266 ( 1.053 -6.099 0.000) 6.189 2.381 ( -6.027 -2.217 0.000) 6.422 2.448 ( 2.767 6.744 0.000) 7.289 2.495 ( 1.898 5.309 0.000) 5.638 2.640 ( -0.923 7.018 0.000) 7.079 2.784 ( 1.636 -6.078 0.000) 6.294 2.907 ( -8.412 1.875 0.000) 8.619 2.925 ( -5.648 0.300 0.000) 5.656 3.067 ( -2.324 25.519 0.000) 25.625 3.151 ( 3.500 5.352 0.000) 6.395 3.351 ( 2.638 -6.711 0.000) 7.211 3.464 ( 6.169 -0.115 0.000) 6.170 3.526 ( 2.958 10.393 0.000) 10.806 3.616 ( 4.484 -3.096 0.000) 5.449 3.809 ( 3.195 -2.268 0.000) 3.919 4.063 ( -3.521 -15.032 0.000) 15.439 4.215 ( -3.379 -23.253 0.000) 23.497 4.375 ( 2.298 -18.052 0.000) 18.198 5.253 ( -0.405 0.456 0.000) 0.610 5.323 ( -0.956 -3.761 0.000) 3.881 5.448 ( 4.144 12.006 0.000) 12.701 5.975 ( 3.572 -12.994 0.000) 13.476 5.998 ( -0.707 5.652 0.000) 5.697 6.035 ( -12.378 6.560 0.000) 14.009 6.146 ( -2.839 5.832 0.000) 6.486 6.199 ( -0.154 -1.372 0.000) 1.381 6.222 ( -9.063 -0.952 0.000) 9.113 6.480 ( -0.521 -9.759 0.000) 9.773 6.616 ( -12.418 0.079 0.000) 12.418 6.725 ( -1.736 4.160 0.000) 4.508 6.779 ( -7.782 -4.636 0.000) 9.058 7.017 ( -3.265 -9.398 0.000) 9.949 7.598 ( -0.050 5.308 0.000) 5.309 7.617 ( 4.032 2.361 0.000) 4.672 7.765 ( -0.930 15.410 0.000) 15.438 8.310 ( 3.863 -10.412 0.000) 11.106 8.344 ( 5.151 6.089 0.000) 7.976 8.544 ( 5.716 -4.517 0.000) 7.285 8.891 ( 2.659 11.478 0.000) 11.782 9.071 ( 6.197 9.793 0.000) 11.589 9.248 ( 1.257 -0.467 0.000) 1.341 9.392 ( 5.388 10.614 0.000) 11.903 10.023 ( -0.220 -2.611 0.000) 2.620 10.105 ( 0.118 2.451 0.000) 2.453 10.283 ( -1.432 -4.854 0.000) 5.061 10.476 ( -0.061 23.642 0.000) 23.642 10.534 ( -0.690 -14.992 0.000) 15.008 10.940 ( -7.211 2.574 0.000) 7.657 10.978 ( -8.554 0.748 0.000) 8.587 11.344 ( 6.888 -3.141 0.000) 7.570 11.399 ( 5.027 -8.238 0.000) 9.651 11.778 ( 0.937 -31.068 0.000) 31.082 13.696 ( 0.063 -0.550 0.000) 0.554 13.719 ( -0.103 -0.899 0.000) 0.905 14.010 ( -26.601 32.055 0.000) 41.655 14.578 ( -22.255 7.643 0.000) 23.531 14.765 ( -16.359 -5.985 0.000) 17.419 14.828 ( -17.296 -2.350 0.000) 17.455 20.856 ( 14.026 4.485 0.000) 14.725 21.046 ( 10.531 -3.822 0.000) 11.203 21.604 ( 0.953 12.053 0.000) 12.090 21.917 ( 4.614 -2.196 0.000) 5.110 22.186 ( 7.614 15.051 0.000) 16.867 22.411 ( 0.888 2.888 0.000) 3.022 22.533 ( 0.271 -2.345 0.000) 2.360 23.221 ( 8.891 -30.314 0.000) 31.591 ======================= Grid point 22 (15/80) ======================= q-point: ( 0.44 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 6.262 4.951 0.000) 7.983 1.663 ( 3.260 8.041 0.000) 8.677 1.877 ( 4.496 -4.576 0.000) 6.415 1.913 ( -1.223 1.655 0.000) 2.058 2.152 ( -4.732 4.566 0.000) 6.576 2.213 ( 10.203 -1.353 0.000) 10.293 2.257 ( -5.028 -0.613 0.000) 5.065 2.274 ( 3.878 4.043 0.000) 5.603 2.469 ( -5.960 3.225 0.000) 6.777 2.538 ( 4.023 4.541 0.000) 6.067 2.561 ( -5.902 8.869 0.000) 10.653 2.757 ( -3.405 4.611 0.000) 5.732 2.800 ( -0.125 -3.348 0.000) 3.350 2.928 ( 1.874 -10.100 0.000) 10.272 3.026 ( -1.341 24.984 0.000) 25.020 3.213 ( 2.207 1.984 0.000) 2.968 3.393 ( 1.419 -10.925 0.000) 11.016 3.554 ( 2.634 -0.809 0.000) 2.756 3.566 ( 0.657 18.914 0.000) 18.925 3.680 ( 1.826 -4.429 0.000) 4.791 3.871 ( 3.964 -4.390 0.000) 5.915 3.981 ( -4.756 -8.315 0.000) 9.579 4.164 ( -1.546 -24.459 0.000) 24.508 4.406 ( 0.857 -17.210 0.000) 17.231 5.247 ( -0.175 0.279 0.000) 0.329 5.308 ( -0.496 -3.358 0.000) 3.395 5.515 ( 2.268 12.643 0.000) 12.845 5.860 ( -5.213 7.134 0.000) 8.835 5.988 ( -0.250 6.094 0.000) 6.099 6.028 ( 1.954 -10.939 0.000) 11.112 6.084 ( -2.361 5.025 0.000) 5.552 6.090 ( -4.253 -2.257 0.000) 4.815 6.236 ( 3.734 -0.200 0.000) 3.739 6.378 ( -8.097 -5.598 0.000) 9.844 6.525 ( 0.925 -4.945 0.000) 5.030 6.675 ( -3.139 -3.822 0.000) 4.946 6.704 ( -0.461 3.100 0.000) 3.134 6.968 ( -1.512 -9.678 0.000) 9.796 7.596 ( -0.069 6.800 0.000) 6.801 7.667 ( 1.259 2.420 0.000) 2.727 7.746 ( -0.723 17.594 0.000) 17.609 8.358 ( 1.176 -11.481 0.000) 11.541 8.414 ( 1.973 5.210 0.000) 5.571 8.628 ( 2.500 -6.191 0.000) 6.677 8.941 ( 1.825 10.787 0.000) 10.940 9.187 ( 5.013 6.772 0.000) 8.425 9.248 ( -1.422 2.044 0.000) 2.490 9.463 ( 1.851 10.959 0.000) 11.114 10.032 ( 0.667 -3.348 0.000) 3.414 10.108 ( 0.187 0.456 0.000) 0.493 10.261 ( -0.677 -2.348 0.000) 2.444 10.473 ( -0.162 24.617 0.000) 24.617 10.525 ( -0.191 -14.645 0.000) 14.646 10.823 ( -3.785 1.406 0.000) 4.038 10.843 ( -4.253 0.681 0.000) 4.307 11.444 ( 3.173 -3.926 0.000) 5.047 11.465 ( 1.458 -7.059 0.000) 7.208 11.794 ( 0.531 -30.980 0.000) 30.984 13.691 ( -7.764 28.522 0.000) 29.560 13.702 ( 0.367 -1.011 0.000) 1.076 13.718 ( -0.055 -0.987 0.000) 0.989 14.269 ( -8.835 9.688 0.000) 13.111 14.548 ( -5.878 -11.250 0.000) 12.693 14.591 ( -6.656 -3.577 0.000) 7.557 21.045 ( 5.157 3.453 0.000) 6.206 21.187 ( 3.853 -2.798 0.000) 4.762 21.616 ( 0.311 12.372 0.000) 12.376 21.975 ( 1.514 -3.841 0.000) 4.128 22.290 ( 2.860 18.263 0.000) 18.485 22.423 ( 0.342 2.710 0.000) 2.732 22.537 ( 0.082 -2.129 0.000) 2.131 23.321 ( 2.251 -26.942 0.000) 27.036 ======================= Grid point 27 (16/80) ======================= q-point: ( 0.00 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 -18.398 0.000) 18.398 1.235 ( 0.000 18.398 0.000) 18.398 1.336 ( 0.000 -18.580 0.000) 18.580 1.336 ( 0.000 18.580 0.000) 18.580 2.346 ( 0.000 -4.873 0.000) 4.873 2.346 ( 0.000 4.873 0.000) 4.873 2.449 ( 0.000 -2.226 0.000) 2.226 2.449 ( 0.000 2.226 0.000) 2.226 2.636 ( 0.000 -20.869 0.000) 20.869 2.636 ( 0.000 20.869 0.000) 20.869 2.732 ( 0.000 -1.541 0.000) 1.541 2.732 ( 0.000 1.541 0.000) 1.541 2.914 ( 0.000 -9.509 0.000) 9.509 2.914 ( 0.000 9.509 0.000) 9.509 3.131 ( 0.000 -4.385 0.000) 4.385 3.131 ( 0.000 4.385 0.000) 4.385 3.374 ( 0.000 -5.689 0.000) 5.689 3.374 ( 0.000 5.689 0.000) 5.689 3.623 ( 0.000 -7.681 0.000) 7.681 3.623 ( 0.000 7.681 0.000) 7.681 3.882 ( 0.000 -23.620 0.000) 23.620 3.882 ( 0.000 23.620 0.000) 23.620 3.914 ( 0.000 -1.665 0.000) 1.665 3.914 ( 0.000 1.665 0.000) 1.665 5.289 ( 0.000 -2.281 0.000) 2.281 5.289 ( 0.000 2.281 0.000) 2.281 5.540 ( 0.000 -12.496 0.000) 12.496 5.540 ( 0.000 12.496 0.000) 12.496 6.197 ( 0.000 -0.257 0.000) 0.257 6.197 ( 0.000 0.257 0.000) 0.257 6.264 ( 0.000 -9.195 0.000) 9.195 6.264 ( 0.000 9.195 0.000) 9.195 6.680 ( 0.000 -2.074 0.000) 2.074 6.680 ( 0.000 2.074 0.000) 2.074 7.068 ( 0.000 -4.102 0.000) 4.102 7.068 ( 0.000 4.102 0.000) 4.102 7.224 ( 0.000 -2.886 0.000) 2.886 7.224 ( 0.000 2.886 0.000) 2.886 7.331 ( 0.000 -6.064 0.000) 6.064 7.331 ( 0.000 6.064 0.000) 6.064 7.899 ( 0.000 -10.528 0.000) 10.528 7.899 ( 0.000 10.528 0.000) 10.528 8.297 ( 0.000 -5.785 0.000) 5.785 8.297 ( 0.000 5.785 0.000) 5.785 8.994 ( 0.000 -6.812 0.000) 6.812 8.994 ( 0.000 6.812 0.000) 6.812 9.260 ( 0.000 -3.610 0.000) 3.610 9.260 ( 0.000 3.610 0.000) 3.610 10.187 ( 0.000 -5.017 0.000) 5.017 10.187 ( 0.000 5.017 0.000) 5.017 10.229 ( 0.000 -10.161 0.000) 10.161 10.229 ( 0.000 10.161 0.000) 10.161 10.831 ( 0.000 -2.445 0.000) 2.445 10.831 ( 0.000 2.445 0.000) 2.445 11.061 ( 0.000 -33.290 0.000) 33.290 11.061 ( 0.000 33.290 0.000) 33.290 11.417 ( 0.000 -2.591 0.000) 2.591 11.417 ( 0.000 2.591 0.000) 2.591 13.714 ( 0.000 -0.422 0.000) 0.422 13.714 ( 0.000 0.422 0.000) 0.422 15.742 ( 0.000 -0.288 0.000) 0.288 15.742 ( 0.000 0.288 0.000) 0.288 16.295 ( 0.000 -28.810 0.000) 28.810 16.295 ( 0.000 28.810 0.000) 28.810 20.267 ( 0.000 -9.980 0.000) 9.980 20.267 ( 0.000 9.980 0.000) 9.980 21.531 ( 0.000 -3.821 0.000) 3.821 21.531 ( 0.000 3.821 0.000) 3.821 21.854 ( 0.000 -2.753 0.000) 2.753 21.854 ( 0.000 2.753 0.000) 2.753 22.446 ( 0.000 -3.821 0.000) 3.821 22.446 ( 0.000 3.821 0.000) 3.821 ======================= Grid point 29 (17/80) ======================= q-point: ( 0.11 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 9.944 -15.692 0.000) 18.578 1.337 ( 9.944 15.692 0.000) 18.578 1.374 ( 3.851 -16.968 0.000) 17.400 1.374 ( 3.851 16.968 0.000) 17.400 2.345 ( 0.184 -5.364 0.000) 5.367 2.345 ( 0.184 5.364 0.000) 5.367 2.383 ( -6.490 -8.672 0.000) 10.832 2.383 ( -6.490 8.672 0.000) 10.832 2.609 ( -1.756 -15.488 0.000) 15.587 2.609 ( -1.756 15.488 0.000) 15.587 2.702 ( -2.888 -4.002 0.000) 4.935 2.702 ( -2.888 4.002 0.000) 4.935 2.971 ( 4.731 -12.783 0.000) 13.631 2.971 ( 4.731 12.783 0.000) 13.631 3.191 ( 5.812 -3.674 0.000) 6.876 3.191 ( 5.813 3.674 0.000) 6.876 3.331 ( -4.227 -5.937 0.000) 7.287 3.331 ( -4.227 5.937 0.000) 7.287 3.653 ( 2.858 -5.879 0.000) 6.536 3.653 ( 2.858 5.879 0.000) 6.536 3.860 ( -2.262 -23.466 0.000) 23.575 3.860 ( -2.262 23.466 0.000) 23.575 3.914 ( 0.197 -3.587 0.000) 3.593 3.914 ( 0.197 3.587 0.000) 3.593 5.287 ( -0.186 -2.092 0.000) 2.100 5.287 ( -0.186 2.092 0.000) 2.100 5.562 ( 2.307 -12.630 0.000) 12.839 5.562 ( 2.307 12.630 0.000) 12.839 6.169 ( -2.022 -5.352 0.000) 5.721 6.169 ( -2.022 5.352 0.000) 5.721 6.289 ( 1.685 -9.237 0.000) 9.389 6.289 ( 1.685 9.237 0.000) 9.389 6.598 ( -8.310 -1.071 0.000) 8.379 6.598 ( -8.310 1.071 0.000) 8.379 6.990 ( -5.301 -8.738 0.000) 10.220 6.990 ( -5.301 8.738 0.000) 10.220 7.130 ( -9.388 -3.189 0.000) 9.915 7.130 ( -9.388 3.189 0.000) 9.915 7.432 ( 7.576 -5.548 0.000) 9.391 7.432 ( 7.576 5.548 0.000) 9.391 7.931 ( 3.219 -10.644 0.000) 11.120 7.931 ( 3.219 10.644 0.000) 11.120 8.318 ( 2.151 -5.545 0.000) 5.947 8.318 ( 2.151 5.545 0.000) 5.947 8.989 ( 0.062 -7.152 0.000) 7.153 8.989 ( 0.062 7.152 0.000) 7.153 9.285 ( 2.193 -2.659 0.000) 3.446 9.285 ( 2.193 2.659 0.000) 3.446 10.182 ( -0.436 -4.985 0.000) 5.004 10.182 ( -0.436 4.985 0.000) 5.004 10.215 ( -1.236 -12.452 0.000) 12.514 10.215 ( -1.236 12.452 0.000) 12.514 10.904 ( 6.785 -2.126 0.000) 7.111 10.904 ( 6.785 2.126 0.000) 7.111 11.067 ( 0.565 -33.179 0.000) 33.184 11.067 ( 0.565 33.179 0.000) 33.184 11.372 ( -4.485 -2.246 0.000) 5.016 11.372 ( -4.485 2.246 0.000) 5.016 13.711 ( -0.234 -0.535 0.000) 0.584 13.711 ( -0.234 0.535 0.000) 0.584 15.569 ( -16.893 -1.409 0.000) 16.952 15.569 ( -16.893 1.409 0.000) 16.952 15.901 ( -36.058 -14.242 0.000) 38.769 15.901 ( -36.058 14.242 0.000) 38.769 20.392 ( 12.082 -8.982 0.000) 15.056 20.392 ( 12.082 8.982 0.000) 15.056 21.649 ( 7.657 -3.727 0.000) 8.516 21.649 ( 7.657 3.727 0.000) 8.516 21.989 ( 14.968 -10.903 0.000) 18.518 21.989 ( 14.968 10.903 0.000) 18.518 22.451 ( 0.477 -3.721 0.000) 3.751 22.451 ( 0.477 3.721 0.000) 3.751 ======================= Grid point 31 (18/80) ======================= q-point: ( 0.22 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 6.765 -12.961 0.000) 14.620 1.478 ( 6.765 12.961 0.000) 14.620 1.575 ( 13.783 -10.774 0.000) 17.494 1.575 ( 13.783 10.774 0.000) 17.494 2.227 ( -8.782 -7.453 0.000) 11.518 2.227 ( -8.782 7.453 0.000) 11.518 2.355 ( 0.405 -4.942 0.000) 4.959 2.355 ( 0.405 4.942 0.000) 4.959 2.600 ( 1.194 -8.452 0.000) 8.536 2.600 ( 1.194 8.452 0.000) 8.536 2.637 ( -3.212 -6.870 0.000) 7.584 2.637 ( -3.212 6.870 0.000) 7.584 3.039 ( 0.402 -11.996 0.000) 12.003 3.039 ( 0.402 11.996 0.000) 12.003 3.237 ( -4.103 -2.803 0.000) 4.969 3.237 ( -4.103 2.803 0.000) 4.969 3.329 ( 7.948 -2.766 0.000) 8.415 3.329 ( 7.948 2.766 0.000) 8.415 3.722 ( 4.095 -8.989 0.000) 9.877 3.722 ( 4.095 8.989 0.000) 9.877 3.797 ( -4.240 -23.052 0.000) 23.439 3.797 ( -4.240 23.052 0.000) 23.439 3.929 ( 1.531 -11.758 0.000) 11.857 3.929 ( 1.531 11.758 0.000) 11.857 5.281 ( -0.437 -1.768 0.000) 1.822 5.281 ( -0.437 1.768 0.000) 1.822 5.624 ( 4.024 -12.871 0.000) 13.485 5.624 ( 4.024 12.871 0.000) 13.485 6.135 ( -1.417 -5.416 0.000) 5.599 6.135 ( -1.417 5.416 0.000) 5.599 6.310 ( 0.315 -8.157 0.000) 8.163 6.310 ( 0.315 8.157 0.000) 8.163 6.390 ( -12.316 -2.616 0.000) 12.591 6.390 ( -12.316 2.616 0.000) 12.591 6.900 ( -13.228 -3.253 0.000) 13.622 6.900 ( -13.228 3.253 0.000) 13.622 6.904 ( -3.804 -8.322 0.000) 9.150 6.904 ( -3.804 8.322 0.000) 9.150 7.563 ( 5.677 -2.774 0.000) 6.319 7.563 ( 5.677 2.774 0.000) 6.319 8.005 ( 3.858 -11.408 0.000) 12.043 8.005 ( 3.858 11.408 0.000) 12.043 8.378 ( 4.011 -4.903 0.000) 6.334 8.378 ( 4.011 4.903 0.000) 6.334 9.011 ( 2.277 -6.540 0.000) 6.924 9.011 ( 2.277 6.540 0.000) 6.924 9.335 ( 3.091 -6.152 0.000) 6.885 9.335 ( 3.091 6.152 0.000) 6.885 10.172 ( -0.594 -4.844 0.000) 4.880 10.172 ( -0.594 4.844 0.000) 4.880 10.192 ( -1.020 -15.525 0.000) 15.558 10.192 ( -1.020 15.525 0.000) 15.558 11.036 ( 4.323 -1.127 0.000) 4.467 11.036 ( 4.323 1.127 0.000) 4.467 11.081 ( 0.910 -33.043 0.000) 33.056 11.081 ( 0.910 33.043 0.000) 33.056 11.274 ( -3.655 -1.713 0.000) 4.036 11.274 ( -3.655 1.713 0.000) 4.036 13.706 ( -0.310 -0.708 0.000) 0.772 13.706 ( -0.310 0.708 0.000) 0.772 15.142 ( -38.542 -7.404 0.000) 39.247 15.142 ( -38.542 7.404 0.000) 39.247 15.162 ( -23.664 -3.938 0.000) 23.990 15.162 ( -23.664 3.938 0.000) 23.990 20.675 ( 15.955 -6.849 0.000) 17.362 20.675 ( 15.955 6.849 0.000) 17.362 21.754 ( 3.951 -5.356 0.000) 6.656 21.754 ( 3.951 5.356 0.000) 6.656 22.340 ( 18.175 -23.084 0.000) 29.380 22.340 ( 18.175 23.084 0.000) 29.380 22.463 ( 0.701 -3.461 0.000) 3.531 22.463 ( 0.701 3.461 0.000) 3.531 ======================= Grid point 33 (19/80) ======================= q-point: ( 0.33 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 8.033 -8.592 0.000) 11.762 1.623 ( 8.033 8.592 0.000) 11.762 1.808 ( 7.778 -10.098 0.000) 12.746 1.808 ( 7.778 10.098 0.000) 12.746 2.107 ( -0.845 -7.800 0.000) 7.846 2.107 ( -0.845 7.800 0.000) 7.846 2.323 ( -4.324 -3.148 0.000) 5.349 2.323 ( -4.324 3.148 0.000) 5.349 2.620 ( 1.904 -9.022 0.000) 9.221 2.620 ( 1.904 9.022 0.000) 9.221 2.651 ( 3.423 -7.067 0.000) 7.853 2.651 ( 3.423 7.067 0.000) 7.853 2.939 ( -9.263 -6.755 0.000) 11.464 2.939 ( -9.263 6.755 0.000) 11.464 3.216 ( 0.766 -1.730 0.000) 1.892 3.216 ( 0.766 1.730 0.000) 1.892 3.474 ( 6.609 -3.254 0.000) 7.366 3.474 ( 6.609 3.254 0.000) 7.366 3.706 ( -4.949 -22.127 0.000) 22.674 3.706 ( -4.949 22.127 0.000) 22.674 3.799 ( 3.697 -8.992 0.000) 9.722 3.799 ( 3.697 8.992 0.000) 9.722 3.968 ( 2.217 -19.189 0.000) 19.316 3.968 ( 2.217 19.189 0.000) 19.316 5.271 ( -0.595 -1.506 0.000) 1.619 5.271 ( -0.595 1.506 0.000) 1.619 5.708 ( 4.445 -12.911 0.000) 13.655 5.708 ( 4.445 12.911 0.000) 13.655 6.118 ( -0.223 -5.615 0.000) 5.619 6.118 ( -0.223 5.615 0.000) 5.619 6.162 ( -10.731 -4.919 0.000) 11.805 6.162 ( -10.731 4.919 0.000) 11.805 6.291 ( -2.616 -8.216 0.000) 8.623 6.291 ( -2.616 8.216 0.000) 8.623 6.676 ( -8.980 -4.816 0.000) 10.190 6.676 ( -8.980 4.816 0.000) 10.190 6.840 ( -2.893 -7.257 0.000) 7.813 6.840 ( -2.893 7.257 0.000) 7.813 7.644 ( 2.842 -0.129 0.000) 2.845 7.644 ( 2.842 0.129 0.000) 2.845 8.062 ( 1.971 -13.400 0.000) 13.544 8.062 ( 1.971 13.400 0.000) 13.544 8.461 ( 4.206 -4.613 0.000) 6.243 8.461 ( 4.206 4.613 0.000) 6.243 9.068 ( 3.195 -6.343 0.000) 7.102 9.068 ( 3.195 6.343 0.000) 7.102 9.405 ( 4.028 -8.879 0.000) 9.750 9.405 ( 4.028 8.879 0.000) 9.750 10.161 ( -0.477 -4.594 0.000) 4.618 10.161 ( -0.477 4.594 0.000) 4.618 10.178 ( -0.383 -16.532 0.000) 16.536 10.178 ( -0.383 16.532 0.000) 16.536 10.977 ( -7.810 -0.919 0.000) 7.864 10.977 ( -7.810 0.919 0.000) 7.864 11.099 ( 0.892 -33.221 0.000) 33.233 11.099 ( 0.892 33.221 0.000) 33.233 11.315 ( 5.506 -0.754 0.000) 5.557 11.315 ( 5.506 0.754 0.000) 5.557 13.701 ( -0.143 -0.748 0.000) 0.762 13.701 ( -0.143 0.748 0.000) 0.762 14.526 ( -24.610 -17.945 0.000) 30.458 14.526 ( -24.610 17.945 0.000) 30.458 14.732 ( -19.540 -6.617 0.000) 20.630 14.732 ( -19.540 6.617 0.000) 20.630 20.955 ( 12.274 -4.817 0.000) 13.185 20.955 ( 12.274 4.817 0.000) 13.185 21.814 ( 2.415 -7.683 0.000) 8.053 21.814 ( 2.415 7.683 0.000) 8.053 22.475 ( 0.584 -3.144 0.000) 3.198 22.475 ( 0.584 3.144 0.000) 3.198 22.621 ( 10.805 -26.361 0.000) 28.489 22.621 ( 10.805 26.361 0.000) 28.489 ======================= Grid point 35 (20/80) ======================= q-point: ( 0.44 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 4.925 -6.107 0.000) 7.845 1.759 ( 4.925 6.107 0.000) 7.845 1.831 ( -1.549 -7.485 0.000) 7.643 1.831 ( -1.549 7.485 0.000) 7.643 2.224 ( -4.212 -2.600 0.000) 4.950 2.224 ( -4.212 2.600 0.000) 4.950 2.230 ( 8.515 -3.034 0.000) 9.040 2.230 ( 8.515 3.034 0.000) 9.040 2.673 ( 2.216 -7.582 0.000) 7.899 2.673 ( 2.216 7.582 0.000) 7.899 2.675 ( -3.160 -11.725 0.000) 12.144 2.675 ( -3.160 11.725 0.000) 12.144 2.781 ( -3.435 -5.974 0.000) 6.891 2.781 ( -3.435 5.974 0.000) 6.891 3.229 ( 0.385 -2.881 0.000) 2.907 3.229 ( 0.385 2.881 0.000) 2.907 3.566 ( 2.740 -10.334 0.000) 10.691 3.566 ( 2.740 10.334 0.000) 10.691 3.627 ( -2.640 -17.388 0.000) 17.587 3.627 ( -2.640 17.388 0.000) 17.587 3.852 ( 1.488 -3.127 0.000) 3.463 3.852 ( 1.488 3.127 0.000) 3.463 4.002 ( 1.036 -21.149 0.000) 21.174 4.002 ( 1.036 21.149 0.000) 21.174 5.261 ( -0.306 -1.307 0.000) 1.342 5.261 ( -0.306 1.307 0.000) 1.342 5.781 ( 2.651 -12.747 0.000) 13.019 5.781 ( 2.651 12.747 0.000) 13.019 6.005 ( -4.925 -6.122 0.000) 7.857 6.005 ( -4.925 6.122 0.000) 7.857 6.131 ( 1.539 -7.055 0.000) 7.221 6.131 ( 1.539 7.055 0.000) 7.221 6.219 ( -3.829 -7.367 0.000) 8.303 6.219 ( -3.829 7.367 0.000) 8.303 6.573 ( -2.189 -5.511 0.000) 5.930 6.573 ( -2.189 5.511 0.000) 5.930 6.799 ( -1.203 -6.392 0.000) 6.504 6.799 ( -1.203 6.392 0.000) 6.504 7.678 ( 0.798 -1.454 0.000) 1.658 7.678 ( 0.798 1.454 0.000) 1.658 8.083 ( 0.411 -15.019 0.000) 15.024 8.083 ( 0.411 15.019 0.000) 15.025 8.522 ( 1.825 -4.892 0.000) 5.221 8.522 ( 1.825 4.892 0.000) 5.221 9.116 ( 1.483 -6.562 0.000) 6.727 9.116 ( 1.483 6.562 0.000) 6.727 9.472 ( 2.246 -9.773 0.000) 10.027 9.472 ( 2.246 9.773 0.000) 10.027 10.155 ( -0.184 -4.399 0.000) 4.403 10.155 ( -0.184 4.399 0.000) 4.403 10.176 ( 0.030 -16.323 0.000) 16.323 10.176 ( 0.030 16.323 0.000) 16.323 10.845 ( -4.360 -0.574 0.000) 4.398 10.845 ( -4.360 0.575 0.000) 4.398 11.112 ( 0.390 -33.605 0.000) 33.607 11.112 ( 0.390 33.605 0.000) 33.607 11.398 ( 2.445 -0.414 0.000) 2.480 11.398 ( 2.445 0.414 0.000) 2.480 13.700 ( 0.033 -0.592 0.000) 0.593 13.700 ( 0.033 0.592 0.000) 0.593 14.213 ( -8.106 -21.252 0.000) 22.745 14.213 ( -8.106 21.252 0.000) 22.745 14.463 ( -7.575 -8.420 0.000) 11.326 14.463 ( -7.575 8.420 0.000) 11.326 21.120 ( 4.504 -3.610 0.000) 5.772 21.120 ( 4.504 3.610 0.000) 5.772 21.846 ( 0.821 -8.955 0.000) 8.993 21.846 ( 0.821 8.955 0.000) 8.993 22.483 ( 0.221 -2.919 0.000) 2.928 22.483 ( 0.221 2.919 0.000) 2.928 22.756 ( 3.404 -26.297 0.000) 26.516 22.756 ( 3.404 26.297 0.000) 26.516 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 0.000 0.000 18.708) 18.708 0.479 ( 0.000 0.000 23.104) 23.104 1.053 ( 0.000 0.000 48.919) 48.919 1.720 ( 0.000 0.000 9.874) 9.874 1.786 ( 0.000 0.000 1.329) 1.329 1.978 ( 0.000 0.000 -11.729) 11.729 2.114 ( 0.000 0.000 5.035) 5.035 2.202 ( 0.000 0.000 -1.191) 1.191 2.334 ( 0.000 0.000 -2.375) 2.375 2.674 ( 0.000 0.000 2.733) 2.733 2.768 ( 0.000 0.000 1.526) 1.526 2.876 ( 0.000 0.000 -1.637) 1.637 2.895 ( 0.000 0.000 -2.697) 2.697 2.927 ( 0.000 0.000 -3.164) 3.164 3.062 ( 0.000 0.000 -4.762) 4.762 3.076 ( 0.000 0.000 4.342) 4.342 3.324 ( 0.000 0.000 1.416) 1.416 3.436 ( 0.000 0.000 13.739) 13.739 3.465 ( 0.000 0.000 3.394) 3.394 3.608 ( 0.000 0.000 -4.409) 4.409 3.730 ( 0.000 0.000 7.400) 7.400 4.339 ( 0.000 0.000 -2.056) 2.056 4.635 ( 0.000 0.000 -11.588) 11.588 4.824 ( 0.000 0.000 -0.212) 0.212 4.985 ( 0.000 0.000 -1.172) 1.172 5.185 ( 0.000 0.000 -8.595) 8.595 5.631 ( 0.000 0.000 1.764) 1.764 5.685 ( 0.000 0.000 -9.591) 9.591 5.942 ( 0.000 0.000 -2.812) 2.812 6.041 ( 0.000 0.000 -21.985) 21.985 6.198 ( 0.000 0.000 -0.914) 0.914 6.508 ( 0.000 0.000 -7.435) 7.435 7.016 ( 0.000 0.000 2.322) 2.322 7.028 ( 0.000 0.000 1.626) 1.626 7.097 ( 0.000 0.000 6.503) 6.503 7.162 ( 0.000 0.000 22.094) 22.094 7.234 ( 0.000 0.000 -2.270) 2.270 7.236 ( 0.000 0.000 0.428) 0.428 7.427 ( 0.000 0.000 0.425) 0.425 7.508 ( 0.000 0.000 -0.859) 0.859 7.629 ( 0.000 0.000 -14.875) 14.875 7.653 ( 0.000 0.000 6.929) 6.929 8.386 ( 0.000 0.000 2.989) 2.989 8.467 ( 0.000 0.000 13.019) 13.019 8.521 ( 0.000 0.000 14.636) 14.636 8.565 ( 0.000 0.000 -0.911) 0.911 8.677 ( 0.000 0.000 6.661) 6.661 9.146 ( 0.000 0.000 -7.491) 7.491 9.801 ( 0.000 0.000 18.678) 18.678 10.225 ( 0.000 0.000 -2.228) 2.228 10.418 ( 0.000 0.000 6.209) 6.209 10.581 ( 0.000 0.000 -0.585) 0.585 10.798 ( 0.000 0.000 0.641) 0.641 11.007 ( 0.000 0.000 -5.471) 5.471 11.069 ( 0.000 0.000 -3.013) 3.013 11.140 ( 0.000 0.000 -9.448) 9.448 11.252 ( 0.000 0.000 -4.149) 4.149 12.599 ( 0.000 0.000 0.213) 0.213 12.627 ( 0.000 0.000 -0.234) 0.234 13.288 ( 0.000 0.000 -36.692) 36.692 15.303 ( 0.000 0.000 16.874) 16.874 15.708 ( 0.000 0.000 1.577) 1.577 15.787 ( 0.000 0.000 15.823) 15.823 17.899 ( 0.000 0.000 -17.259) 17.259 20.668 ( 0.000 0.000 3.354) 3.354 21.212 ( 0.000 0.000 -3.015) 3.015 21.240 ( 0.000 0.000 -4.758) 4.758 21.279 ( 0.000 0.000 -1.770) 1.770 21.688 ( 0.000 0.000 10.465) 10.465 21.908 ( 0.000 0.000 6.444) 6.444 22.271 ( 0.000 0.000 -1.406) 1.406 22.543 ( 0.000 0.000 -3.345) 3.345 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.11 0.00 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 5.676 0.000 19.608) 20.413 0.648 ( 22.583 0.000 8.932) 24.285 1.271 ( 20.589 0.000 38.298) 43.482 1.613 ( -2.135 0.000 7.921) 8.203 1.967 ( -0.140 0.000 -9.832) 9.833 1.976 ( 10.167 0.000 -3.778) 10.846 2.079 ( -3.041 0.000 2.982) 4.259 2.257 ( 6.122 0.000 2.796) 6.731 2.373 ( 3.274 0.000 -0.771) 3.364 2.556 ( -10.324 0.000 3.179) 10.802 2.757 ( -0.768 0.000 6.685) 6.729 2.824 ( -2.259 0.000 -1.543) 2.736 2.864 ( -3.692 0.000 1.318) 3.920 2.955 ( -3.539 0.000 1.714) 3.933 3.020 ( 0.782 0.000 -3.360) 3.450 3.183 ( 4.106 0.000 -0.627) 4.154 3.272 ( -0.240 0.000 0.738) 0.776 3.407 ( -1.684 0.000 5.945) 6.179 3.429 ( -1.489 0.000 10.418) 10.524 3.752 ( 1.954 0.000 5.462) 5.801 3.802 ( 8.443 0.000 -17.862) 19.757 4.452 ( 8.487 0.000 -13.937) 16.318 4.640 ( 0.530 0.000 -10.940) 10.953 4.817 ( -0.644 0.000 0.125) 0.656 5.004 ( 1.589 0.000 -3.276) 3.641 5.195 ( 0.885 0.000 -7.178) 7.233 5.622 ( -0.997 0.000 1.504) 1.805 5.692 ( 0.603 0.000 -9.933) 9.951 5.943 ( 0.068 0.000 -2.847) 2.848 6.032 ( -0.965 0.000 -21.263) 21.285 6.206 ( 0.209 0.000 -1.522) 1.536 6.452 ( -5.753 0.000 -6.646) 8.790 6.761 ( -15.830 0.000 4.715) 16.517 6.933 ( -10.577 0.000 8.924) 13.839 7.012 ( -7.343 0.000 -0.032) 7.343 7.141 ( -8.470 0.000 -2.352) 8.790 7.183 ( -7.141 0.000 3.574) 7.986 7.250 ( 0.190 0.000 1.012) 1.030 7.420 ( 2.547 0.000 10.119) 10.434 7.499 ( 6.722 0.000 8.942) 11.187 7.645 ( -2.037 0.000 -5.033) 5.430 7.866 ( 13.651 0.000 2.710) 13.918 8.293 ( -10.379 0.000 28.792) 30.606 8.439 ( 5.518 0.000 1.627) 5.753 8.485 ( 1.368 0.000 9.687) 9.783 8.657 ( 7.119 0.000 0.227) 7.123 8.698 ( 2.282 0.000 5.741) 6.178 9.172 ( 2.396 0.000 -7.064) 7.459 9.810 ( 0.305 0.000 18.077) 18.080 10.231 ( 0.681 0.000 -0.228) 0.718 10.407 ( -1.179 0.000 6.429) 6.536 10.566 ( -1.580 0.000 -0.798) 1.770 10.911 ( 1.386 0.000 -3.453) 3.721 10.964 ( -4.032 0.000 -5.612) 6.911 11.083 ( 7.487 0.000 -8.179) 11.089 11.113 ( -2.948 0.000 -8.295) 8.804 11.368 ( 9.400 0.000 -13.341) 16.320 12.588 ( -1.098 0.000 0.742) 1.325 12.640 ( 1.341 0.000 -0.460) 1.418 13.300 ( 1.200 0.000 -35.801) 35.821 15.207 ( -9.502 0.000 12.168) 15.439 15.441 ( -28.378 0.000 5.756) 28.956 15.672 ( -11.410 0.000 17.539) 20.924 16.151 ( -99.154 0.000 80.033) 127.424 20.190 ( 0.788 0.000 14.639) 14.660 20.740 ( 7.044 0.000 1.392) 7.180 21.280 ( 0.360 0.000 0.707) 0.793 21.679 ( 3.751 0.000 7.212) 8.129 21.959 ( 4.835 0.000 6.973) 8.485 22.280 ( 0.938 0.000 -1.464) 1.739 22.511 ( 1.126 0.000 -7.888) 7.968 23.226 ( 51.269 0.000 -54.805) 75.047 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.22 0.00 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 13.168 0.000 11.214) 17.296 1.073 ( 21.263 0.000 8.357) 22.846 1.662 ( 13.285 0.000 11.583) 17.626 1.667 ( 6.681 0.000 4.493) 8.052 1.975 ( -1.497 0.000 5.913) 6.100 2.104 ( 12.496 0.000 -3.018) 12.855 2.119 ( 5.116 0.000 -10.565) 11.739 2.343 ( -8.586 0.000 1.179) 8.667 2.429 ( 7.700 0.000 10.561) 13.070 2.433 ( 3.104 0.000 2.115) 3.756 2.716 ( -4.492 0.000 10.990) 11.872 2.718 ( -6.872 0.000 6.854) 9.706 2.823 ( -7.489 0.000 1.346) 7.609 2.844 ( 0.199 0.000 -1.492) 1.505 3.082 ( 3.599 0.000 -4.722) 5.937 3.103 ( -6.309 0.000 10.179) 11.975 3.279 ( -5.129 0.000 4.092) 6.561 3.420 ( 3.248 0.000 1.893) 3.759 3.493 ( 8.932 0.000 -1.584) 9.072 3.782 ( 0.665 0.000 2.204) 2.303 3.881 ( 1.435 0.000 -14.798) 14.867 4.530 ( -1.564 0.000 -18.363) 18.429 4.656 ( 1.010 0.000 -9.629) 9.681 4.800 ( -1.102 0.000 0.917) 1.433 5.023 ( 0.040 0.000 -8.150) 8.150 5.226 ( 2.657 0.000 -1.563) 3.082 5.590 ( -2.347 0.000 1.272) 2.670 5.703 ( 0.335 0.000 -10.427) 10.432 5.945 ( 0.210 0.000 -2.904) 2.912 6.002 ( -2.261 0.000 -19.560) 19.690 6.147 ( -8.309 0.000 -0.895) 8.358 6.295 ( -10.129 0.000 -6.188) 11.870 6.532 ( -5.754 0.000 2.332) 6.209 6.709 ( -10.747 0.000 4.906) 11.814 6.848 ( -10.057 0.000 -0.078) 10.057 6.907 ( -13.078 0.000 -2.318) 13.282 7.070 ( -4.087 0.000 2.999) 5.070 7.238 ( -0.692 0.000 2.754) 2.839 7.504 ( 3.461 0.000 13.567) 14.001 7.538 ( -5.314 0.000 10.502) 11.769 7.625 ( 4.370 0.000 15.735) 16.330 8.116 ( 12.280 0.000 -0.284) 12.283 8.252 ( 3.517 0.000 18.894) 19.218 8.514 ( 1.710 0.000 4.171) 4.507 8.590 ( 9.691 0.000 -0.669) 9.714 8.769 ( 5.016 0.000 4.099) 6.478 8.826 ( 9.541 0.000 -0.407) 9.550 9.224 ( 2.670 0.000 -6.127) 6.683 9.806 ( -0.750 0.000 15.249) 15.267 10.255 ( 1.954 0.000 5.295) 5.645 10.373 ( -2.420 0.000 7.270) 7.662 10.523 ( -2.690 0.000 -1.795) 3.234 10.857 ( -4.001 0.000 -1.463) 4.260 10.870 ( -5.290 0.000 -5.550) 7.667 11.025 ( -6.019 0.000 -5.520) 8.167 11.266 ( 8.818 0.000 -7.670) 11.687 11.538 ( 7.218 0.000 -22.624) 23.747 12.564 ( -1.123 0.000 1.730) 2.063 12.678 ( 2.506 0.000 -1.033) 2.711 13.331 ( 1.842 0.000 -33.644) 33.694 14.672 ( -36.674 0.000 45.966) 58.804 14.977 ( -13.294 0.000 4.187) 13.938 15.070 ( -34.195 0.000 21.497) 40.391 15.389 ( -16.856 0.000 18.341) 24.910 20.438 ( 18.352 0.000 4.608) 18.922 20.912 ( 10.198 0.000 -1.520) 10.310 21.297 ( 1.272 0.000 4.070) 4.264 21.770 ( 5.422 0.000 5.994) 8.082 22.064 ( 5.431 0.000 9.054) 10.558 22.303 ( 1.325 0.000 -1.598) 2.075 22.514 ( -0.227 0.000 -6.802) 6.806 23.723 ( 10.254 0.000 -32.815) 34.380 ======================= Grid point 66 (24/80) ======================= q-point: ( 0.33 0.00 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 18.740 0.000 3.508) 19.065 1.449 ( 17.107 0.000 9.414) 19.526 1.750 ( 0.339 0.000 -3.168) 3.186 1.788 ( 2.831 0.000 -1.635) 3.269 1.933 ( -1.270 0.000 3.618) 3.834 2.166 ( -2.208 0.000 -2.259) 3.159 2.217 ( -0.573 0.000 1.738) 1.830 2.404 ( 6.895 0.000 -2.566) 7.357 2.525 ( 0.554 0.000 8.632) 8.650 2.549 ( -2.940 0.000 12.512) 12.853 2.594 ( 4.907 0.000 5.846) 7.633 2.639 ( -0.587 0.000 4.133) 4.174 2.727 ( 2.524 0.000 3.317) 4.168 2.841 ( -0.747 0.000 1.471) 1.650 2.995 ( -4.724 0.000 14.172) 14.938 3.146 ( 2.809 0.000 -3.631) 4.591 3.180 ( -3.346 0.000 5.245) 6.222 3.518 ( 6.106 0.000 -1.515) 6.291 3.656 ( 7.119 0.000 -3.245) 7.824 3.771 ( -1.643 0.000 -0.472) 1.710 3.897 ( 0.952 0.000 -11.859) 11.897 4.400 ( -11.092 0.000 -12.362) 16.609 4.675 ( 0.917 0.000 -8.667) 8.716 4.778 ( -1.105 0.000 1.652) 1.988 5.016 ( -0.460 0.000 -11.173) 11.182 5.289 ( 3.445 0.000 1.880) 3.925 5.538 ( -2.754 0.000 1.582) 3.176 5.700 ( -0.704 0.000 -9.470) 9.496 5.926 ( -10.158 0.000 -0.789) 10.188 5.945 ( -3.407 0.000 -17.214) 17.548 5.955 ( -1.032 0.000 -1.600) 1.904 6.092 ( -10.228 0.000 -7.575) 12.728 6.512 ( 1.289 0.000 -2.978) 3.244 6.546 ( -6.199 0.000 3.797) 7.269 6.675 ( -7.072 0.000 -1.704) 7.274 6.687 ( -9.223 0.000 -1.629) 9.366 7.010 ( -2.419 0.000 5.612) 6.111 7.228 ( -0.347 0.000 4.506) 4.519 7.459 ( -2.621 0.000 12.132) 12.412 7.540 ( 0.612 0.000 16.008) 16.019 7.683 ( 1.591 0.000 18.874) 18.941 8.332 ( 10.051 0.000 -4.391) 10.968 8.348 ( 5.377 0.000 12.727) 13.816 8.547 ( 1.493 0.000 0.169) 1.502 8.780 ( 9.322 0.000 -2.068) 9.549 8.877 ( 5.748 0.000 2.886) 6.431 8.992 ( 7.158 0.000 -1.220) 7.261 9.261 ( 0.982 0.000 -4.752) 4.852 9.786 ( -1.095 0.000 11.544) 11.596 10.302 ( 2.666 0.000 11.811) 12.108 10.315 ( -3.403 0.000 8.544) 9.197 10.470 ( -2.639 0.000 -3.774) 4.606 10.779 ( -3.868 0.000 -5.090) 6.393 10.785 ( -3.281 0.000 -2.469) 4.106 10.901 ( -6.401 0.000 -2.015) 6.711 11.409 ( 6.147 0.000 -5.955) 8.558 11.631 ( 2.651 0.000 -21.262) 21.426 12.552 ( -0.101 0.000 2.489) 2.491 12.729 ( 2.527 0.000 -1.568) 2.974 13.366 ( 1.696 0.000 -31.403) 31.448 14.202 ( -14.858 0.000 30.429) 33.862 14.496 ( -25.326 0.000 12.024) 28.036 14.742 ( -10.277 0.000 0.814) 10.309 15.075 ( -14.780 0.000 14.396) 20.632 20.775 ( 15.176 0.000 2.291) 15.348 21.103 ( 9.128 0.000 -2.034) 9.352 21.320 ( 0.819 0.000 4.395) 4.471 21.871 ( 4.662 0.000 4.491) 6.473 22.151 ( 3.509 0.000 11.840) 12.349 22.326 ( 0.949 0.000 -1.835) 2.066 22.506 ( -0.587 0.000 -7.482) 7.505 23.811 ( 1.130 0.000 -20.486) 20.517 ======================= Grid point 67 (25/80) ======================= q-point: ( 0.44 0.00 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 18.426 0.000 -1.400) 18.479 1.659 ( 3.908 0.000 10.503) 11.207 1.694 ( -11.958 0.000 -3.800) 12.547 1.750 ( -0.127 0.000 -7.518) 7.519 1.999 ( 8.574 0.000 9.127) 12.523 2.114 ( -1.495 0.000 8.889) 9.014 2.277 ( 3.639 0.000 -0.683) 3.702 2.329 ( -11.775 0.000 5.588) 13.033 2.462 ( 1.225 0.000 -0.274) 1.256 2.510 ( -0.853 0.000 2.060) 2.229 2.595 ( -1.904 0.000 -0.019) 1.905 2.641 ( -0.262 0.000 3.741) 3.750 2.822 ( -0.212 0.000 1.286) 1.303 2.918 ( -3.228 0.000 18.661) 18.938 3.020 ( 13.551 0.000 4.949) 14.426 3.170 ( 1.031 0.000 6.122) 6.208 3.177 ( -0.025 0.000 -2.376) 2.376 3.615 ( 3.043 0.000 -3.365) 4.537 3.728 ( -0.845 0.000 -2.769) 2.895 3.759 ( 2.024 0.000 -2.500) 3.217 3.943 ( 4.307 0.000 -9.307) 10.255 4.160 ( -11.744 0.000 -6.692) 13.516 4.688 ( 0.333 0.000 -8.332) 8.338 4.762 ( -0.481 0.000 1.980) 2.038 5.009 ( -0.200 0.000 -12.820) 12.821 5.340 ( 1.544 0.000 3.107) 3.470 5.498 ( -1.191 0.000 2.003) 2.331 5.679 ( -1.129 0.000 -2.999) 3.204 5.770 ( -4.163 0.000 -5.501) 6.899 5.894 ( -1.150 0.000 -14.441) 14.486 5.937 ( -5.176 0.000 -9.497) 10.816 5.958 ( 0.186 0.000 -2.501) 2.508 6.468 ( -1.989 0.000 4.233) 4.677 6.526 ( -0.551 0.000 -3.213) 3.260 6.577 ( -1.849 0.000 -3.826) 4.249 6.588 ( -2.128 0.000 -4.482) 4.961 6.976 ( -0.966 0.000 7.787) 7.846 7.225 ( -0.013 0.000 5.506) 5.506 7.431 ( -0.597 0.000 11.699) 11.714 7.542 ( -0.114 0.000 17.414) 17.415 7.697 ( 0.171 0.000 19.410) 19.411 8.429 ( 2.539 0.000 11.375) 11.655 8.478 ( 4.370 0.000 -7.506) 8.685 8.565 ( 0.426 0.000 -2.330) 2.369 8.914 ( 3.927 0.000 -3.070) 4.984 8.965 ( 2.745 0.000 2.285) 3.571 9.086 ( 2.556 0.000 -1.596) 3.014 9.264 ( -0.299 0.000 -3.152) 3.166 9.770 ( -0.507 0.000 9.392) 9.406 10.259 ( -1.852 0.000 9.461) 9.640 10.345 ( 1.377 0.000 16.545) 16.602 10.430 ( -1.245 0.000 -5.599) 5.736 10.734 ( -0.760 0.000 -4.911) 4.970 10.738 ( -1.418 0.000 -4.111) 4.349 10.802 ( -3.238 0.000 1.088) 3.416 11.496 ( 2.637 0.000 -6.572) 7.081 11.653 ( 0.136 0.000 -17.744) 17.744 12.557 ( 0.356 0.000 2.962) 2.983 12.765 ( 1.067 0.000 -1.786) 2.081 13.390 ( 0.713 0.000 -30.136) 30.144 14.033 ( -3.842 0.000 19.659) 20.031 14.146 ( -10.004 0.000 11.511) 15.251 14.607 ( -3.510 0.000 2.303) 4.198 14.865 ( -6.100 0.000 8.665) 10.597 20.980 ( 5.688 0.000 1.735) 5.946 21.246 ( 5.568 0.000 -0.299) 5.576 21.315 ( -1.688 0.000 2.299) 2.852 21.936 ( 1.839 0.000 3.613) 4.054 22.196 ( 1.180 0.000 13.996) 14.046 22.337 ( 0.268 0.000 -2.335) 2.350 22.496 ( -0.368 0.000 -8.262) 8.270 23.814 ( -0.190 0.000 -15.726) 15.727 ======================= Grid point 72 (26/80) ======================= q-point: ( 0.00 0.17 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.000 14.264 12.394) 18.897 0.903 ( 0.000 21.728 19.335) 29.085 1.308 ( 0.000 27.286 32.477) 42.418 1.760 ( 0.000 -4.297 1.110) 4.438 1.893 ( 0.000 13.267 3.061) 13.615 2.047 ( 0.000 -5.721 7.713) 9.603 2.064 ( 0.000 7.339 -10.320) 12.664 2.222 ( 0.000 2.699 0.345) 2.721 2.417 ( 0.000 6.478 -5.844) 8.724 2.692 ( 0.000 1.509 1.865) 2.399 2.720 ( 0.000 -2.705 10.580) 10.920 2.883 ( 0.000 -0.438 1.557) 1.617 2.884 ( 0.000 -1.438 -2.708) 3.066 2.948 ( 0.000 2.252 -1.582) 2.752 3.114 ( 0.000 6.682 -5.810) 8.854 3.152 ( 0.000 5.457 -1.313) 5.612 3.358 ( 0.000 3.496 0.869) 3.602 3.377 ( 0.000 -4.253 6.573) 7.829 3.428 ( 0.000 -0.690 10.192) 10.215 3.575 ( 0.000 -3.558 0.466) 3.588 3.657 ( 0.000 -6.593 6.401) 9.190 4.266 ( 0.000 -6.917 -1.468) 7.071 4.539 ( 0.000 -9.542 -9.034) 13.140 4.691 ( 0.000 -12.166 -0.147) 12.167 5.041 ( 0.000 4.270 -5.553) 7.005 5.215 ( 0.000 3.345 -4.191) 5.362 5.479 ( 0.000 -10.249 -0.882) 10.287 5.726 ( 0.000 3.866 -11.177) 11.827 5.954 ( 0.000 -0.443 -8.295) 8.307 6.019 ( 0.000 -1.847 -21.932) 22.009 6.094 ( 0.000 -9.373 0.900) 9.416 6.363 ( 0.000 -7.854 -10.054) 12.758 6.854 ( 0.000 -4.475 3.699) 5.806 6.898 ( 0.000 -3.377 1.188) 3.579 7.034 ( 0.000 -4.368 10.774) 11.626 7.194 ( 0.000 1.380 15.998) 16.058 7.202 ( 0.000 -1.036 -1.456) 1.787 7.431 ( 0.000 10.752 -1.166) 10.815 7.568 ( 0.000 -6.127 8.691) 10.634 7.612 ( 0.000 -2.351 -12.431) 12.651 7.693 ( 0.000 8.430 7.127) 11.039 7.727 ( 0.000 12.623 10.480) 16.407 8.236 ( 0.000 -9.693 4.156) 10.547 8.486 ( 0.000 -1.279 9.464) 9.550 8.672 ( 0.000 15.975 2.248) 16.132 8.722 ( 0.000 13.159 -1.147) 13.209 8.787 ( 0.000 7.754 2.098) 8.033 9.152 ( 0.000 0.342 -4.259) 4.273 9.959 ( 0.000 13.075 14.177) 19.286 10.181 ( 0.000 -3.492 -2.875) 4.523 10.393 ( 0.000 -1.081 6.237) 6.330 10.511 ( 0.000 -6.707 -0.970) 6.776 10.684 ( 0.000 -8.482 -0.316) 8.488 10.931 ( 0.000 -7.260 -3.734) 8.164 11.086 ( 0.000 1.621 -3.842) 4.170 11.181 ( 0.000 -2.811 -3.929) 4.831 11.258 ( 0.000 5.675 -7.874) 9.706 12.336 ( 0.000 -19.246 2.474) 19.404 13.001 ( 0.000 16.507 -31.243) 35.335 13.295 ( 0.000 0.448 -36.363) 36.365 15.466 ( 0.000 15.297 15.663) 21.894 15.728 ( 0.000 1.955 2.647) 3.291 15.818 ( 0.000 2.361 14.786) 14.973 17.586 ( 0.000 -23.786 1.377) 23.826 20.413 ( 0.000 -20.828 30.332) 36.795 20.629 ( 0.000 -3.779 4.010) 5.510 21.274 ( 0.000 3.206 -5.197) 6.107 21.583 ( 0.000 0.813 -2.672) 2.793 21.871 ( 0.000 6.564 -5.834) 8.782 21.904 ( 0.000 -0.353 6.498) 6.508 22.301 ( 0.000 2.367 -1.254) 2.679 22.530 ( 0.000 -1.241 -3.137) 3.374 ======================= Grid point 73 (27/80) ======================= q-point: ( 0.11 0.17 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 17.018 10.966 8.322) 21.889 0.963 ( 5.761 23.010 14.483) 27.793 1.405 ( 9.638 14.366 27.237) 32.267 1.737 ( 3.290 8.939 5.664) 11.082 1.969 ( 1.530 0.305 -0.834) 1.769 2.027 ( -0.238 0.031 1.041) 1.068 2.084 ( 2.587 3.651 -7.663) 8.874 2.298 ( 8.108 4.941 5.379) 10.913 2.459 ( 3.146 6.770 -3.956) 8.449 2.612 ( -6.803 3.444 1.230) 7.724 2.717 ( -1.572 -1.836 10.360) 10.638 2.824 ( -5.472 -0.380 2.800) 6.159 2.865 ( -1.515 2.272 -3.067) 4.107 2.956 ( 2.811 -2.793 -1.916) 4.401 3.090 ( -5.725 7.451 -0.534) 9.411 3.214 ( 2.511 3.825 0.056) 4.575 3.282 ( -1.411 1.454 1.190) 2.350 3.367 ( -0.670 -2.914 4.958) 5.790 3.432 ( -0.294 0.279 8.354) 8.364 3.647 ( 3.903 -9.191 -1.538) 10.103 3.703 ( 4.653 -6.120 0.140) 7.689 4.319 ( 4.321 -10.130 -5.139) 12.154 4.550 ( 1.015 -8.994 -8.438) 12.375 4.683 ( -0.814 -12.339 0.259) 12.368 5.049 ( 0.543 3.514 -7.154) 7.989 5.229 ( 1.539 3.859 -2.534) 4.866 5.470 ( -0.796 -10.168 -0.672) 10.221 5.729 ( 0.220 3.464 -11.405) 11.921 5.955 ( -0.051 -0.251 -8.910) 8.913 6.011 ( -0.894 -1.678 -20.769) 20.856 6.112 ( 1.649 -9.101 0.291) 9.254 6.337 ( -2.827 -6.645 -9.146) 11.654 6.680 ( -15.364 -3.136 4.273) 16.253 6.835 ( -3.717 -3.569 1.866) 5.481 6.955 ( -10.144 0.671 8.794) 13.442 7.126 ( -2.567 -3.053 0.831) 4.074 7.218 ( -6.952 -0.894 3.287) 7.741 7.415 ( -2.086 1.133 7.539) 7.904 7.452 ( -3.944 7.735 2.325) 8.988 7.568 ( 2.081 2.078 6.288) 6.942 7.798 ( 3.340 12.161 3.867) 13.190 7.909 ( 12.852 -0.657 8.960) 15.681 8.280 ( 3.775 -7.819 4.197) 9.643 8.489 ( 0.312 -0.464 7.508) 7.529 8.581 ( -5.931 20.734 4.083) 21.949 8.700 ( 0.826 6.930 1.454) 7.129 8.856 ( 6.185 10.889 1.898) 12.666 9.174 ( 2.155 0.072 -4.193) 4.715 9.961 ( -0.429 12.029 12.476) 17.336 10.179 ( 0.382 -3.849 0.179) 3.872 10.386 ( -0.748 -0.548 6.673) 6.737 10.496 ( -1.451 -6.517 -1.119) 6.770 10.746 ( 2.261 -10.700 -3.869) 11.601 10.963 ( 4.121 -5.343 -4.718) 8.234 11.063 ( -1.555 2.868 -3.639) 4.888 11.183 ( -1.746 1.531 -7.482) 7.834 11.287 ( 4.606 -3.086 -6.302) 8.394 12.337 ( 0.065 -19.027 2.705) 19.219 12.992 ( -0.927 16.768 -28.954) 33.472 13.305 ( 1.069 0.334 -35.461) 35.478 15.340 ( -12.243 12.326 11.339) 20.746 15.489 ( -24.012 3.736 3.294) 24.523 15.702 ( -11.661 2.349 16.615) 20.434 16.335 ( -87.334 10.569 50.513) 101.442 20.225 ( 4.718 3.553 13.606) 14.833 20.717 ( 8.348 -2.496 3.393) 9.350 21.326 ( 1.759 4.401 -1.917) 5.113 21.698 ( 4.297 1.493 6.700) 8.098 21.953 ( 4.750 -0.543 6.742) 8.265 22.297 ( 1.648 1.341 -2.253) 3.097 22.479 ( 5.050 -4.140 -10.694) 12.530 22.811 ( 45.067 -26.937 -23.571) 57.552 ======================= Grid point 74 (28/80) ======================= q-point: ( 0.22 0.17 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 9.937 18.373 6.394) 21.845 1.173 ( 16.356 10.586 9.467) 21.661 1.634 ( 12.987 1.074 11.684) 17.502 1.837 ( 2.216 10.398 -0.049) 10.632 1.984 ( -1.153 0.865 6.505) 6.663 2.090 ( 9.947 0.394 -2.028) 10.159 2.170 ( 7.626 2.192 -4.779) 9.263 2.414 ( -6.164 2.876 7.206) 9.909 2.492 ( 7.162 6.406 3.708) 10.299 2.528 ( -0.027 9.719 -4.180) 10.580 2.668 ( -3.662 -4.519 10.132) 11.683 2.707 ( -5.842 2.043 5.206) 8.088 2.850 ( -0.523 0.855 -0.887) 1.339 2.941 ( -7.720 8.515 0.460) 11.503 3.025 ( 2.566 -3.721 -0.504) 4.548 3.124 ( -5.577 1.768 8.524) 10.338 3.298 ( -3.382 2.096 3.488) 5.291 3.383 ( 3.946 -2.515 1.345) 4.869 3.502 ( 7.554 0.518 -0.774) 7.611 3.687 ( 0.522 -10.059 -1.183) 10.142 3.786 ( 3.274 -5.682 -5.423) 8.510 4.366 ( -0.651 -12.876 -8.857) 15.642 4.574 ( 1.406 -8.093 -7.287) 10.981 4.661 ( -1.481 -12.836 1.194) 12.976 5.053 ( -0.191 2.611 -10.200) 10.531 5.276 ( 3.306 4.867 0.848) 5.944 5.450 ( -1.337 -9.635 -0.555) 9.743 5.731 ( -0.139 2.606 -11.732) 12.019 5.942 ( -1.600 -1.174 -12.256) 12.415 5.989 ( -1.177 -0.854 -15.969) 16.035 6.133 ( -0.719 -4.896 -1.607) 5.203 6.238 ( -8.429 -2.395 -5.320) 10.252 6.410 ( -10.017 -5.219 3.777) 11.910 6.674 ( -9.792 -3.444 -2.159) 10.602 6.829 ( -4.747 2.961 7.003) 8.963 6.983 ( -14.653 0.124 0.451) 14.661 7.021 ( -6.490 -3.519 1.702) 7.576 7.381 ( -1.291 -0.015 8.981) 9.073 7.425 ( -0.444 6.680 3.827) 7.711 7.661 ( 5.339 2.962 15.578) 16.732 7.770 ( -4.697 12.121 12.609) 18.110 8.148 ( 11.674 0.089 6.293) 13.262 8.367 ( 5.032 1.175 5.933) 7.868 8.519 ( 2.172 9.452 2.485) 10.012 8.561 ( 4.098 -0.128 0.897) 4.197 8.773 ( 6.229 4.098 1.479) 7.601 8.992 ( 7.454 11.849 0.304) 14.002 9.222 ( 2.439 -0.421 -3.965) 4.674 9.936 ( -1.876 9.134 7.057) 11.693 10.204 ( 1.970 -3.544 6.445) 7.614 10.365 ( -1.352 1.236 8.869) 9.056 10.460 ( -2.173 -5.853 -1.815) 6.501 10.735 ( -2.072 -8.268 -4.255) 9.526 10.946 ( -4.884 2.908 -4.245) 7.094 11.042 ( -5.320 0.818 -5.591) 7.761 11.219 ( 7.939 -2.717 -5.414) 9.986 11.402 ( 6.134 -9.164 -10.927) 15.524 12.340 ( 0.316 -18.403 3.204) 18.682 12.970 ( -1.187 16.725 -22.604) 28.144 13.333 ( 1.664 0.071 -33.264) 33.306 14.827 ( -39.140 12.991 30.531) 51.311 15.055 ( -17.023 6.621 4.798) 18.885 15.148 ( -37.419 7.730 27.728) 47.210 15.407 ( -17.884 1.091 17.117) 24.779 20.484 ( 17.820 4.305 5.248) 19.069 20.917 ( 11.504 -0.350 1.919) 11.668 21.359 ( 1.648 6.463 0.733) 6.710 21.800 ( 6.259 2.619 5.640) 8.823 22.057 ( 5.395 -0.613 8.328) 9.942 22.322 ( 1.279 1.797 -1.717) 2.796 22.499 ( -0.026 -1.560 -7.071) 7.241 23.406 ( 17.408 -26.581 -23.890) 39.753 ======================= Grid point 75 (29/80) ======================= q-point: ( 0.33 0.17 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 13.788 14.359 1.572) 19.969 1.497 ( 15.973 4.537 9.588) 19.174 1.816 ( 0.943 4.035 -1.618) 4.448 1.857 ( 2.635 5.200 -0.341) 5.840 1.982 ( 3.486 4.235 4.438) 7.055 2.176 ( 1.374 -2.373 -4.528) 5.294 2.243 ( -5.985 6.142 1.858) 8.775 2.416 ( 4.666 -0.533 4.662) 6.618 2.520 ( -4.870 0.549 6.666) 8.274 2.595 ( 0.129 0.557 3.008) 3.062 2.601 ( -1.699 3.663 2.253) 4.624 2.652 ( 8.097 4.077 11.757) 14.846 2.791 ( -6.336 6.362 1.533) 9.109 2.841 ( -1.144 -1.739 -0.676) 2.189 3.043 ( -2.211 2.567 9.499) 10.085 3.090 ( 4.094 -1.583 0.513) 4.419 3.255 ( -0.127 6.640 4.507) 8.026 3.483 ( 5.817 -2.647 -1.360) 6.534 3.643 ( 6.110 -1.338 -2.597) 6.772 3.674 ( -1.556 -9.457 -1.330) 9.676 3.835 ( 2.421 -4.049 -6.618) 8.128 4.281 ( -7.849 -10.058 -7.426) 14.762 4.600 ( 1.194 -7.520 -6.455) 9.982 4.630 ( -1.583 -13.476 1.974) 13.712 5.045 ( -0.521 2.424 -12.240) 12.488 5.347 ( 3.776 5.372 2.847) 7.157 5.419 ( -1.797 -8.477 -0.714) 8.694 5.722 ( -0.656 1.944 -10.760) 10.954 5.886 ( -4.308 -2.601 -12.576) 13.546 5.949 ( -4.497 -0.432 -11.828) 12.661 6.026 ( -7.288 5.165 -0.866) 8.974 6.080 ( -5.966 -0.799 -6.624) 8.951 6.338 ( 0.522 -9.084 2.687) 9.487 6.549 ( -3.189 -2.970 -3.308) 5.471 6.711 ( -11.283 0.322 0.628) 11.305 6.724 ( -6.948 2.226 -0.064) 7.296 6.938 ( -2.293 -4.095 8.254) 9.495 7.351 ( -1.618 8.767 1.637) 9.064 7.421 ( -0.271 -4.470 14.937) 15.594 7.670 ( -3.493 12.646 14.154) 19.299 7.752 ( 2.554 4.599 17.343) 18.123 8.339 ( 7.815 0.685 7.971) 11.184 8.462 ( 4.325 -0.895 1.722) 4.740 8.554 ( 2.688 11.135 -2.896) 11.815 8.699 ( 7.917 -6.371 0.233) 10.165 8.908 ( 7.142 4.202 1.246) 8.379 9.121 ( 5.465 10.734 -1.247) 12.109 9.256 ( 0.871 -0.708 -3.330) 3.515 9.903 ( -1.324 7.527 2.597) 8.072 10.234 ( 0.328 -4.569 7.406) 8.709 10.346 ( 0.056 4.331 15.027) 15.639 10.418 ( -1.971 -4.807 -3.011) 6.005 10.695 ( -1.729 -6.421 -4.760) 8.177 10.843 ( -5.211 3.059 -2.907) 6.706 10.910 ( -7.095 0.778 -2.869) 7.693 11.370 ( 6.710 -3.141 -4.948) 8.909 11.498 ( 3.629 -9.977 -13.677) 17.314 12.351 ( 0.783 -17.623 3.710) 18.026 12.952 ( -0.559 15.356 -15.050) 21.509 13.364 ( 1.521 -0.215 -30.949) 30.987 14.268 ( -19.030 7.343 30.174) 36.421 14.549 ( -25.071 4.932 12.546) 28.465 14.784 ( -11.950 3.243 1.663) 12.493 15.070 ( -15.971 -1.078 13.602) 21.006 20.809 ( 14.650 3.252 2.954) 15.294 21.124 ( 9.417 0.678 1.829) 9.617 21.385 ( 0.901 7.287 1.318) 7.460 21.923 ( 6.085 4.649 3.761) 8.531 22.142 ( 3.236 -0.745 10.681) 11.186 22.344 ( 0.955 1.805 -1.873) 2.771 22.494 ( -0.448 -1.244 -7.597) 7.711 23.597 ( 4.797 -19.267 -17.282) 26.323 ======================= Grid point 76 (30/80) ======================= q-point: ( 0.44 0.17 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 12.350 5.955 -3.437) 14.135 1.728 ( 5.969 4.538 11.438) 13.677 1.757 ( -4.249 7.912 -1.913) 9.182 1.872 ( -1.848 7.014 -7.069) 10.128 2.051 ( 5.403 4.853 5.773) 9.277 2.153 ( -2.875 3.843 7.571) 8.965 2.265 ( 6.031 0.187 0.478) 6.053 2.296 ( -10.365 -2.620 3.840) 11.360 2.483 ( -1.519 -0.117 3.217) 3.560 2.557 ( -0.093 6.906 -0.759) 6.948 2.607 ( 0.273 -0.249 2.987) 3.010 2.669 ( -4.203 4.865 2.786) 7.007 2.803 ( 1.819 -1.991 8.013) 8.455 2.836 ( -0.200 -3.720 7.460) 8.339 3.086 ( 5.480 -0.911 2.127) 5.948 3.155 ( 1.808 1.625 1.238) 2.728 3.281 ( 1.704 10.488 6.219) 12.311 3.573 ( 2.662 -3.597 -3.344) 5.586 3.628 ( -1.963 -8.778 -1.482) 9.116 3.731 ( 2.342 -2.441 -2.384) 4.138 3.910 ( 6.005 -2.651 -6.082) 8.949 4.097 ( -10.067 -5.691 -4.621) 12.453 4.604 ( -0.689 -14.277 2.331) 14.483 4.618 ( 0.374 -7.055 -6.184) 9.390 5.036 ( -0.279 2.259 -13.393) 13.585 5.390 ( -0.946 -7.664 -0.797) 7.764 5.405 ( 1.827 6.012 3.448) 7.167 5.716 ( 0.410 2.112 -5.218) 5.644 5.783 ( -4.694 0.436 -6.748) 8.231 5.876 ( -1.265 0.005 -12.883) 12.945 5.910 ( -4.689 -1.070 -10.780) 11.804 6.032 ( -0.385 4.553 -4.576) 6.467 6.373 ( 2.545 -6.349 4.034) 7.941 6.501 ( -4.420 -1.899 0.438) 4.831 6.558 ( -1.606 -3.415 -3.896) 5.424 6.631 ( -3.107 1.459 -4.456) 5.625 6.916 ( -0.409 -3.340 11.031) 11.533 7.328 ( -0.680 10.537 0.222) 10.561 7.413 ( -0.389 -8.669 18.776) 20.685 7.626 ( -1.029 14.097 13.942) 19.854 7.782 ( 0.664 4.827 17.335) 18.007 8.441 ( 2.797 1.280 10.024) 10.486 8.508 ( 0.780 -5.116 -1.453) 5.376 8.621 ( 2.846 12.119 -6.618) 14.098 8.814 ( 3.367 -7.807 0.115) 8.503 9.019 ( 3.610 5.261 1.213) 6.495 9.191 ( 1.781 9.440 -2.193) 9.853 9.256 ( -0.461 -0.859 -2.408) 2.598 9.889 ( -0.237 7.684 0.106) 7.689 10.216 ( -1.163 -3.556 6.963) 7.904 10.364 ( 0.636 3.017 13.697) 14.040 10.394 ( -0.232 -2.308 2.280) 3.253 10.675 ( -0.370 -5.664 -4.985) 7.554 10.765 ( -2.478 1.647 -3.747) 4.785 10.803 ( -3.314 0.214 0.453) 3.351 11.463 ( 2.760 -2.875 -5.736) 6.985 11.538 ( 0.706 -9.030 -13.163) 15.978 12.366 ( 0.571 -17.185 4.081) 17.672 12.948 ( -0.011 13.822 -10.346) 17.265 13.386 ( 0.607 -0.440 -29.555) 29.565 14.047 ( -5.165 2.829 21.754) 22.537 14.206 ( -9.673 5.561 10.828) 15.548 14.630 ( -3.928 1.280 2.307) 4.732 14.842 ( -6.697 -2.700 9.010) 11.546 21.008 ( 5.483 2.535 2.306) 6.466 21.258 ( 4.078 -0.440 3.521) 5.405 21.389 ( -0.280 8.625 -0.403) 8.639 22.013 ( 2.802 7.169 2.136) 7.988 22.178 ( 0.729 -1.755 12.912) 13.051 22.356 ( 0.329 1.925 -2.133) 2.892 22.485 ( -0.294 -1.028 -8.288) 8.357 23.644 ( 0.884 -15.715 -13.938) 21.024 ======================= Grid point 81 (31/80) ======================= q-point: ( 0.00 0.33 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 18.811 4.800) 19.414 1.254 ( 0.000 15.347 23.364) 27.954 1.544 ( 0.000 -11.700 0.017) 11.700 1.840 ( 0.000 -11.558 12.515) 17.036 2.060 ( 0.000 34.855 12.935) 37.178 2.137 ( 0.000 6.052 -10.281) 11.930 2.219 ( 0.000 6.157 -8.969) 10.879 2.375 ( 0.000 10.915 5.080) 12.040 2.480 ( 0.000 -0.014 -5.544) 5.544 2.724 ( 0.000 1.293 1.589) 2.049 2.731 ( 0.000 2.782 11.583) 11.912 2.837 ( 0.000 -2.856 0.715) 2.944 2.872 ( 0.000 -0.046 1.539) 1.539 3.014 ( 0.000 3.446 -1.683) 3.834 3.201 ( 0.000 -0.145 -1.475) 1.482 3.322 ( 0.000 1.484 2.721) 3.099 3.344 ( 0.000 -13.220 4.298) 13.901 3.385 ( 0.000 16.095 -2.263) 16.253 3.457 ( 0.000 -3.135 6.027) 6.794 3.516 ( 0.000 11.075 -0.377) 11.081 3.559 ( 0.000 -0.185 6.917) 6.920 4.074 ( 0.000 -10.847 -0.866) 10.882 4.252 ( 0.000 -17.175 -1.838) 17.273 4.351 ( 0.000 -19.989 0.235) 19.991 5.114 ( 0.000 2.747 -10.324) 10.683 5.294 ( 0.000 -7.246 -5.247) 8.946 5.348 ( 0.000 9.254 1.297) 9.345 5.807 ( 0.000 -11.870 -1.214) 11.932 5.838 ( 0.000 6.737 -14.644) 16.120 5.980 ( 0.000 -1.569 -21.029) 21.088 5.986 ( 0.000 -1.746 -12.727) 12.846 6.186 ( 0.000 -9.217 -17.147) 19.467 6.810 ( 0.000 0.493 8.014) 8.029 6.941 ( 0.000 -4.427 11.640) 12.453 6.970 ( 0.000 7.810 2.418) 8.176 7.190 ( 0.000 -1.964 8.530) 8.753 7.193 ( 0.000 0.804 1.912) 2.074 7.465 ( 0.000 -5.192 8.868) 10.276 7.518 ( 0.000 -4.589 1.078) 4.714 7.608 ( 0.000 -1.224 11.412) 11.477 7.704 ( 0.000 8.081 9.862) 12.750 8.061 ( 0.000 -7.160 1.011) 7.231 8.078 ( 0.000 14.582 1.191) 14.631 8.418 ( 0.000 -4.693 4.542) 6.531 8.903 ( 0.000 8.065 5.385) 9.698 9.021 ( 0.000 14.209 -1.837) 14.327 9.084 ( 0.000 15.781 -3.393) 16.142 9.145 ( 0.000 -1.563 2.485) 2.935 10.109 ( 0.000 -2.173 -3.785) 4.364 10.129 ( 0.000 0.633 1.026) 1.205 10.332 ( 0.000 -9.413 -1.817) 9.587 10.458 ( 0.000 -9.820 -1.688) 9.964 10.570 ( 0.000 16.747 9.198) 19.107 10.820 ( 0.000 -3.201 -1.833) 3.689 10.962 ( 0.000 -6.098 1.810) 6.361 11.265 ( 0.000 5.537 -5.632) 7.898 11.334 ( 0.000 1.350 -7.990) 8.103 11.818 ( 0.000 -29.205 5.720) 29.760 13.208 ( 0.000 5.406 -35.858) 36.263 13.298 ( 0.000 -0.308 -35.714) 35.715 15.779 ( 0.000 3.131 5.352) 6.201 15.853 ( 0.000 0.527 12.227) 12.238 15.899 ( 0.000 25.216 13.128) 28.429 17.054 ( 0.000 -27.395 8.645) 28.727 20.269 ( 0.000 1.836 17.827) 17.921 20.519 ( 0.000 -6.561 6.100) 8.958 21.365 ( 0.000 5.309 -6.111) 8.095 21.560 ( 0.000 -2.637 -3.846) 4.664 21.896 ( 0.000 -0.292 6.379) 6.386 21.910 ( 0.000 -0.529 0.215) 0.571 22.359 ( 0.000 3.246 -1.202) 3.462 22.491 ( 0.000 -2.521 -2.569) 3.599 ======================= Grid point 82 (32/80) ======================= q-point: ( 0.11 0.33 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 13.493 15.872 3.891) 21.192 1.323 ( 6.776 14.060 21.266) 26.379 1.570 ( 2.450 -5.673 0.191) 6.182 1.845 ( 0.610 -10.027 11.886) 15.562 2.051 ( 1.053 19.066 5.375) 19.838 2.159 ( 1.664 7.511 -6.224) 9.896 2.178 ( -2.632 10.977 -4.635) 12.202 2.461 ( 6.155 8.135 4.615) 11.196 2.517 ( 3.135 -1.648 -3.219) 4.786 2.650 ( -5.262 3.412 5.960) 8.652 2.731 ( -2.395 -0.176 4.134) 4.780 2.826 ( -3.066 -0.112 3.425) 4.598 2.877 ( 3.066 -1.649 2.037) 4.033 3.005 ( -0.597 7.072 -3.971) 8.132 3.181 ( -2.063 0.989 -2.758) 3.583 3.301 ( -1.706 0.804 4.308) 4.703 3.336 ( -0.317 -8.103 2.519) 8.492 3.407 ( -1.649 8.626 4.130) 9.705 3.427 ( -0.952 9.401 -1.313) 9.540 3.551 ( -0.116 2.278 7.918) 8.240 3.570 ( 5.940 -2.493 -0.601) 6.470 4.082 ( 0.486 -12.370 -1.755) 12.503 4.274 ( 2.059 -16.850 -1.317) 17.026 4.341 ( -1.037 -19.871 0.909) 19.919 5.114 ( -0.027 2.769 -10.605) 10.960 5.289 ( -0.444 -6.798 -4.937) 8.413 5.370 ( 2.168 9.101 1.533) 9.480 5.813 ( 0.063 -4.617 -7.394) 8.718 5.844 ( 1.126 -0.626 -9.364) 9.452 5.974 ( -0.632 -1.160 -20.814) 20.856 5.992 ( 0.405 -2.168 -12.626) 12.817 6.172 ( -1.331 -8.972 -15.392) 17.865 6.698 ( -11.566 3.685 6.391) 13.719 6.824 ( -7.240 0.612 7.011) 10.097 6.979 ( -3.516 2.216 8.570) 9.524 7.083 ( -5.993 -0.061 1.976) 6.311 7.160 ( -7.650 -4.221 1.520) 8.869 7.316 ( -7.428 -7.110 9.252) 13.832 7.586 ( 6.779 1.993 14.353) 15.998 7.697 ( 1.387 11.932 -0.669) 12.031 7.806 ( 8.955 -6.687 19.215) 22.229 8.032 ( 1.564 2.721 -2.537) 4.035 8.188 ( 7.239 3.257 3.288) 8.592 8.422 ( 0.703 -4.229 3.608) 5.603 8.859 ( -1.922 8.997 2.636) 9.570 9.018 ( -4.309 14.162 -1.820) 14.914 9.118 ( 6.820 12.977 -0.473) 14.668 9.171 ( 1.848 0.982 1.087) 2.359 10.063 ( -3.703 -1.486 -3.102) 5.055 10.145 ( 0.806 -0.691 1.283) 1.665 10.324 ( -0.735 -8.994 -1.816) 9.205 10.478 ( 1.391 -11.475 -3.007) 11.944 10.581 ( 0.914 17.278 9.550) 19.762 10.880 ( 5.898 -2.389 -2.532) 6.849 11.001 ( 3.305 -5.014 0.255) 6.011 11.241 ( -2.308 4.516 -4.960) 7.094 11.297 ( -3.420 0.658 -7.141) 7.945 11.824 ( 0.649 -28.921 6.129) 29.570 13.207 ( -0.019 5.764 -34.681) 35.157 13.306 ( 0.811 -0.444 -34.797) 34.809 15.575 ( -19.939 4.439 5.047) 21.041 15.636 ( -19.193 10.186 8.994) 23.517 15.774 ( -14.124 8.980 15.267) 22.655 16.381 ( -57.023 -6.641 22.297) 61.587 20.335 ( 9.469 6.830 11.581) 16.445 20.630 ( 10.472 -5.839 6.629) 13.701 21.456 ( 6.468 7.930 -5.427) 11.583 21.716 ( 7.617 -0.623 3.741) 8.508 21.943 ( 4.806 -0.130 5.750) 7.496 22.187 ( 24.023 -15.058 -12.294) 30.903 22.375 ( 2.268 1.850 -1.544) 3.309 22.519 ( 4.754 -4.762 -1.420) 6.877 ======================= Grid point 83 (33/80) ======================= q-point: ( 0.22 0.33 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 13.973 12.878 3.607) 19.341 1.476 ( 7.823 14.530 12.524) 20.717 1.663 ( 8.401 -0.614 3.317) 9.053 1.876 ( 3.488 -5.446 10.788) 12.578 2.062 ( -2.939 2.936 -4.048) 5.800 2.141 ( 0.295 2.858 -7.758) 8.272 2.248 ( 7.247 8.880 5.784) 12.838 2.504 ( -4.086 5.041 5.063) 8.231 2.546 ( -1.893 -4.202 2.812) 5.399 2.594 ( 2.276 2.452 7.477) 8.191 2.671 ( -1.343 2.916 -0.432) 3.240 2.766 ( -3.156 -1.930 3.130) 4.846 2.930 ( 0.647 1.734 0.009) 1.851 3.007 ( 1.113 10.661 -3.287) 11.211 3.116 ( -4.342 4.485 -1.728) 6.477 3.238 ( -6.503 8.796 6.060) 12.506 3.327 ( -0.408 0.037 0.595) 0.722 3.355 ( 2.987 -3.608 2.789) 5.452 3.492 ( 4.116 2.684 -0.541) 4.943 3.561 ( 1.721 3.048 4.506) 5.706 3.691 ( 5.453 -1.883 -1.727) 6.022 4.077 ( -1.205 -14.652 -2.581) 14.927 4.302 ( -1.256 -19.593 1.852) 19.721 4.332 ( 1.933 -15.897 0.197) 16.015 5.111 ( -0.379 2.822 -11.231) 11.586 5.279 ( -0.648 -6.373 -4.624) 7.901 5.427 ( 3.713 9.185 2.135) 10.134 5.801 ( -1.070 2.354 -13.438) 13.685 5.873 ( 0.771 -5.920 -7.992) 9.976 5.953 ( -1.423 -1.260 -20.225) 20.314 5.995 ( -0.076 -4.251 -9.520) 10.426 6.141 ( -1.815 -7.549 -11.436) 13.823 6.451 ( -12.491 7.253 6.341) 15.774 6.647 ( -9.926 0.494 3.013) 10.385 6.872 ( -8.154 -1.455 0.422) 8.293 6.921 ( -12.612 -3.715 2.645) 13.411 6.984 ( -5.317 1.593 8.082) 9.805 7.253 ( -0.900 -7.580 14.959) 16.794 7.680 ( -1.037 11.316 2.466) 11.628 7.726 ( 5.054 4.235 14.981) 16.368 7.898 ( 1.386 0.257 15.990) 16.052 8.151 ( 9.033 -2.256 -1.304) 9.401 8.323 ( 6.124 1.263 5.928) 8.616 8.464 ( 4.279 -3.461 1.733) 5.770 8.849 ( 0.167 10.101 -0.281) 10.106 8.975 ( 1.193 13.496 -0.985) 13.585 9.206 ( 1.863 -0.019 -0.257) 1.881 9.254 ( 6.731 11.478 -1.135) 13.354 9.992 ( -3.226 -1.037 -3.263) 4.704 10.154 ( 0.190 -1.916 2.102) 2.850 10.307 ( -0.935 -8.007 -1.711) 8.241 10.491 ( -0.182 -14.517 -4.608) 15.232 10.600 ( 1.107 20.677 11.566) 23.718 10.975 ( 0.863 0.335 -4.648) 4.739 11.036 ( -1.850 -1.186 -3.573) 4.195 11.208 ( 1.503 1.704 -2.436) 3.331 11.259 ( 1.119 -4.314 -5.125) 6.792 11.842 ( 1.200 -28.240 7.095) 29.142 13.207 ( -0.063 6.813 -31.301) 32.034 13.327 ( 1.312 -0.760 -32.490) 32.525 15.080 ( -30.376 10.046 8.217) 33.033 15.208 ( -24.024 6.847 7.449) 26.068 15.333 ( -43.908 7.285 27.408) 52.271 15.411 ( -22.728 -0.549 15.135) 27.312 20.604 ( 16.470 6.939 6.658) 19.072 20.871 ( 13.270 -4.274 6.559) 15.407 21.563 ( 4.205 12.499 -2.691) 13.459 21.854 ( 7.680 1.376 4.865) 9.194 22.058 ( 6.662 2.093 4.482) 8.298 22.371 ( 2.063 2.225 -3.094) 4.334 22.444 ( 1.456 -3.835 -7.796) 8.809 22.824 ( 19.908 -25.989 -9.315) 34.038 ======================= Grid point 84 (34/80) ======================= q-point: ( 0.33 0.33 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 8.739 13.083 0.401) 15.738 1.634 ( 9.524 8.940 8.002) 15.319 1.821 ( 5.354 -2.892 3.312) 6.928 1.972 ( -4.291 3.333 -0.853) 5.500 2.028 ( 12.096 -1.428 9.170) 15.246 2.149 ( 0.191 1.056 -8.943) 9.007 2.340 ( -1.026 -3.995 6.356) 7.578 2.398 ( -5.748 6.763 2.206) 9.146 2.496 ( -0.455 -3.070 5.690) 6.481 2.637 ( -1.978 4.776 0.603) 5.205 2.687 ( 5.573 3.142 11.421) 13.091 2.749 ( 0.489 -3.987 -1.475) 4.279 2.870 ( -5.733 9.039 -2.751) 11.052 2.966 ( -6.291 4.385 3.336) 8.363 3.062 ( -0.426 10.469 2.318) 10.731 3.171 ( 0.580 5.629 1.914) 5.974 3.349 ( 1.842 -5.022 -1.293) 5.503 3.447 ( 5.559 -0.399 0.016) 5.574 3.556 ( 2.139 4.518 1.645) 5.262 3.618 ( 3.770 1.863 1.149) 4.359 3.769 ( 3.241 -1.611 -3.614) 5.115 4.036 ( -3.117 -12.915 -2.067) 13.446 4.260 ( -2.402 -20.324 4.435) 20.940 4.377 ( 2.052 -14.086 -0.398) 14.240 5.100 ( -0.671 2.808 -11.947) 12.291 5.264 ( -0.897 -6.003 -4.632) 7.635 5.505 ( 4.157 9.327 2.570) 10.530 5.777 ( -1.353 2.886 -14.347) 14.697 5.838 ( -3.927 -2.386 -13.643) 14.395 5.924 ( -1.992 -1.805 -17.605) 17.809 5.983 ( -2.187 -5.398 -5.271) 7.855 6.107 ( -1.170 -3.564 -5.701) 6.824 6.269 ( -5.256 5.552 4.480) 8.861 6.502 ( -4.505 -0.633 0.487) 4.575 6.658 ( -12.841 -4.340 2.025) 13.705 6.715 ( -7.343 -3.304 -2.842) 8.539 6.934 ( -1.392 3.974 14.122) 14.736 7.237 ( -1.054 -8.758 17.671) 19.751 7.637 ( -2.456 12.836 0.563) 13.081 7.806 ( 2.894 2.207 15.577) 15.996 7.908 ( 0.068 7.880 14.004) 16.069 8.295 ( 4.990 -8.243 0.238) 9.639 8.423 ( 4.842 3.086 6.802) 8.902 8.575 ( 6.153 -4.266 2.647) 7.942 8.862 ( 1.502 12.647 -2.852) 13.052 9.057 ( 6.072 8.510 -1.093) 10.511 9.232 ( 0.706 0.198 -1.633) 1.790 9.366 ( 4.675 10.071 -2.353) 11.350 9.950 ( -1.056 -0.380 -4.034) 4.187 10.154 ( -0.230 -2.619 2.367) 3.538 10.292 ( -0.581 -6.655 -1.631) 6.877 10.479 ( -0.750 -14.466 -5.237) 15.403 10.621 ( 0.961 21.024 13.454) 24.979 10.909 ( -5.897 3.504 -1.824) 7.098 10.924 ( -7.203 0.483 -3.730) 8.126 11.311 ( 6.111 -1.931 -2.348) 6.825 11.317 ( 3.846 -6.568 -7.057) 10.380 11.869 ( 1.475 -27.518 8.108) 28.726 13.205 ( -0.092 8.252 -26.443) 27.701 13.353 ( 1.235 -1.063 -29.902) 29.947 14.509 ( -24.638 14.669 22.825) 36.650 14.677 ( -24.139 6.740 12.166) 27.859 14.834 ( -16.600 0.819 4.737) 17.282 15.000 ( -19.031 -6.191 12.683) 23.693 20.899 ( 13.149 5.190 4.448) 14.819 21.098 ( 9.690 -3.105 5.630) 11.630 21.620 ( 1.986 14.038 0.245) 14.180 21.997 ( 6.678 -0.737 6.045) 9.038 22.174 ( 4.791 6.698 1.108) 8.310 22.405 ( 1.669 4.291 -1.435) 4.823 22.453 ( 0.024 -2.467 -7.602) 7.993 23.106 ( 9.647 -26.128 -10.286) 29.690 ======================= Grid point 85 (35/80) ======================= q-point: ( 0.44 0.33 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.858 8.326 -3.681) 9.542 1.801 ( 5.499 2.951 9.988) 11.777 1.876 ( 2.594 0.154 -2.791) 3.813 1.933 ( -1.129 -0.981 0.820) 1.706 2.137 ( 1.868 2.173 -1.330) 3.159 2.237 ( -5.684 -1.549 2.038) 6.234 2.270 ( 2.584 6.753 1.513) 7.387 2.348 ( 7.003 4.890 8.485) 12.039 2.499 ( -2.403 -1.912 7.489) 8.094 2.577 ( -4.837 8.372 1.476) 9.781 2.710 ( -1.223 -4.818 -4.998) 7.049 2.771 ( -0.433 3.146 2.113) 3.814 2.781 ( -1.234 2.976 15.870) 16.193 2.896 ( -0.458 6.659 -3.995) 7.779 3.071 ( 0.766 9.586 5.503) 11.079 3.200 ( 1.433 0.700 -1.071) 1.921 3.384 ( 1.386 -9.327 -1.372) 9.529 3.530 ( 2.478 -0.494 -1.274) 2.830 3.565 ( -0.710 9.235 -0.344) 9.269 3.677 ( 1.799 0.064 0.044) 1.801 3.849 ( 5.420 -2.640 -2.010) 6.355 3.957 ( -5.104 -6.937 -1.562) 8.753 4.222 ( -1.221 -20.523 5.628) 21.316 4.403 ( 0.679 -13.526 -0.764) 13.565 5.089 ( -0.371 2.747 -12.487) 12.791 5.248 ( -0.517 -5.640 -4.834) 7.446 5.572 ( 2.282 9.516 2.564) 10.116 5.751 ( -1.451 1.060 -11.139) 11.283 5.774 ( -1.322 -0.586 -15.390) 15.457 5.886 ( -1.161 -0.264 -13.497) 13.550 5.910 ( -3.712 0.871 -7.298) 8.234 6.095 ( -0.391 0.070 -3.309) 3.333 6.265 ( 3.259 -3.000 1.954) 4.841 6.441 ( -6.387 -5.910 3.051) 9.221 6.473 ( -1.954 -0.009 -0.886) 2.146 6.616 ( -2.838 -2.793 -3.588) 5.359 6.918 ( -0.393 3.529 14.890) 15.307 7.217 ( -0.707 -9.456 19.244) 21.453 7.602 ( -0.993 13.458 -0.213) 13.496 7.844 ( 1.144 1.417 14.647) 14.760 7.902 ( -0.478 11.075 14.010) 17.865 8.349 ( 1.174 -9.826 -0.058) 9.896 8.497 ( 2.213 3.711 7.989) 9.082 8.666 ( 2.720 -5.500 3.361) 6.996 8.895 ( 1.339 12.253 -4.522) 13.129 9.167 ( 4.741 5.432 -1.679) 7.403 9.226 ( -1.475 1.809 -2.129) 3.159 9.425 ( 1.480 10.025 -3.482) 10.715 9.945 ( 0.155 -0.119 -5.009) 5.013 10.148 ( -0.256 -2.342 2.681) 3.569 10.285 ( -0.163 -5.458 -2.115) 5.856 10.471 ( -0.080 -13.893 -5.174) 14.826 10.636 ( 0.524 18.824 14.546) 23.795 10.796 ( -3.993 0.960 -3.141) 5.171 10.826 ( -2.913 3.752 2.072) 5.182 11.366 ( 1.430 -6.361 -8.204) 10.480 11.402 ( 2.513 -2.543 -3.600) 5.073 11.892 ( 0.766 -27.102 8.746) 28.489 13.204 ( -0.021 9.290 -22.377) 24.229 13.370 ( 0.488 -1.214 -28.210) 28.240 14.200 ( -7.787 12.010 22.337) 26.529 14.354 ( -8.917 8.185 8.505) 14.793 14.622 ( -5.339 -2.576 3.607) 6.939 14.731 ( -7.896 -8.392 10.874) 15.844 21.076 ( 4.852 3.877 3.442) 7.101 21.225 ( 3.403 -2.566 4.628) 6.291 21.645 ( 0.636 14.683 1.536) 14.776 22.092 ( 2.790 -4.768 9.810) 11.258 22.231 ( 1.271 10.367 -3.431) 10.994 22.432 ( 0.901 6.543 -0.453) 6.620 22.451 ( -0.121 -2.124 -8.123) 8.397 23.218 ( 2.662 -24.037 -9.378) 25.939 ======================= Grid point 90 (36/80) ======================= q-point: ( 0.00 -0.50 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 -17.301 1.007) 17.331 1.233 ( 0.000 17.301 1.007) 17.331 1.567 ( 0.000 -14.470 17.900) 23.017 1.567 ( 0.000 14.470 17.900) 23.017 2.229 ( 0.000 -3.157 -10.714) 11.169 2.229 ( 0.000 3.157 -10.714) 11.169 2.491 ( 0.000 -0.484 -0.022) 0.484 2.491 ( 0.000 0.484 -0.022) 0.484 2.677 ( 0.000 -15.738 5.370) 16.629 2.677 ( 0.000 15.738 5.370) 16.629 2.766 ( 0.000 -1.560 5.641) 5.852 2.766 ( 0.000 1.560 5.641) 5.852 2.930 ( 0.000 -9.244 1.558) 9.375 2.930 ( 0.000 9.244 1.558) 9.375 3.162 ( 0.000 -1.630 3.071) 3.477 3.162 ( 0.000 1.630 3.071) 3.477 3.382 ( 0.000 -4.030 0.624) 4.078 3.382 ( 0.000 4.030 0.624) 4.078 3.632 ( 0.000 -0.810 1.068) 1.340 3.632 ( 0.000 0.810 1.068) 1.340 3.843 ( 0.000 -16.550 -2.349) 16.716 3.843 ( 0.000 16.550 -2.349) 16.716 3.988 ( 0.000 -2.175 5.036) 5.486 3.988 ( 0.000 2.175 5.036) 5.486 5.179 ( 0.000 -4.078 -8.644) 9.558 5.179 ( 0.000 4.078 -8.644) 9.558 5.564 ( 0.000 -11.303 1.246) 11.371 5.564 ( 0.000 11.303 1.246) 11.371 5.961 ( 0.000 -0.964 -20.519) 20.541 5.961 ( 0.000 0.964 -20.519) 20.541 6.002 ( 0.000 -7.937 -15.593) 17.496 6.002 ( 0.000 7.937 -15.593) 17.496 6.857 ( 0.000 -3.551 11.066) 11.622 6.857 ( 0.000 3.551 11.066) 11.622 7.121 ( 0.000 -4.967 2.176) 5.422 7.121 ( 0.000 4.967 2.176) 5.422 7.283 ( 0.000 -8.771 3.821) 9.567 7.283 ( 0.000 8.771 3.821) 9.567 7.531 ( 0.000 -3.476 16.914) 17.268 7.531 ( 0.000 3.476 16.914) 17.268 7.906 ( 0.000 -8.798 1.668) 8.955 7.906 ( 0.000 8.798 1.668) 8.955 8.299 ( 0.000 -7.411 -0.192) 7.413 8.299 ( 0.000 7.411 -0.192) 7.413 9.062 ( 0.000 -6.508 6.296) 9.055 9.062 ( 0.000 6.508 6.296) 9.055 9.229 ( 0.000 -3.215 -2.479) 4.059 9.229 ( 0.000 3.215 -2.479) 4.059 10.132 ( 0.000 -0.322 -4.544) 4.556 10.132 ( 0.000 0.322 -4.544) 4.556 10.229 ( 0.000 -5.554 -1.039) 5.651 10.229 ( 0.000 5.554 -1.039) 5.651 10.797 ( 0.000 -0.022 -1.636) 1.636 10.797 ( 0.000 0.022 -1.636) 1.636 11.163 ( 0.000 -25.113 7.487) 26.205 11.163 ( 0.000 25.113 7.487) 26.205 11.363 ( 0.000 -5.308 -3.732) 6.488 11.363 ( 0.000 5.308 -3.732) 6.488 13.277 ( 0.000 -1.902 -35.410) 35.461 13.277 ( 0.000 1.902 -35.410) 35.461 15.835 ( 0.000 -2.098 8.858) 9.103 15.835 ( 0.000 2.098 8.858) 9.103 16.469 ( 0.000 -28.902 10.703) 30.820 16.469 ( 0.000 28.902 10.703) 30.820 20.374 ( 0.000 -6.963 10.146) 12.305 20.374 ( 0.000 6.963 10.146) 12.305 21.477 ( 0.000 -5.166 -6.174) 8.050 21.477 ( 0.000 5.166 -6.174) 8.050 21.896 ( 0.000 -0.408 4.932) 4.949 21.896 ( 0.000 0.408 4.932) 4.949 22.429 ( 0.000 -3.390 -1.819) 3.848 22.429 ( 0.000 3.390 -1.819) 3.848 ======================= Grid point 92 (37/80) ======================= q-point: ( 0.11 -0.50 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 9.247 -14.899 0.952) 17.561 1.330 ( 9.247 14.899 0.952) 17.561 1.603 ( 3.792 -12.892 17.239) 21.857 1.603 ( 3.792 12.892 17.239) 21.857 2.206 ( -2.401 -1.926 -10.481) 10.924 2.206 ( -2.401 1.926 -10.481) 10.924 2.468 ( -2.614 -4.492 2.664) 5.840 2.468 ( -2.614 4.492 2.664) 5.840 2.651 ( -1.204 -9.500 3.904) 10.341 2.651 ( -1.204 9.500 3.904) 10.341 2.745 ( -2.570 -5.718 6.504) 9.034 2.745 ( -2.570 5.718 6.504) 9.034 2.978 ( 4.067 -10.424 0.654) 11.209 2.978 ( 4.067 10.424 0.654) 11.209 3.168 ( 0.730 -0.455 -1.088) 1.387 3.168 ( 0.730 0.455 -1.088) 1.387 3.373 ( -0.792 -5.561 3.656) 6.703 3.373 ( -0.792 5.561 3.656) 6.703 3.653 ( 2.092 -2.704 0.043) 3.419 3.653 ( 2.092 2.704 0.043) 3.419 3.813 ( -2.792 -17.637 -2.695) 18.059 3.813 ( -2.792 17.637 -2.695) 18.059 4.003 ( 1.424 -2.582 6.108) 6.782 4.003 ( 1.424 2.582 6.108) 6.782 5.180 ( -0.029 -3.966 -8.610) 9.480 5.180 ( -0.029 3.966 -8.610) 9.480 5.584 ( 2.043 -11.242 1.114) 11.480 5.584 ( 2.043 11.242 1.114) 11.480 5.956 ( -0.807 -2.334 -20.605) 20.752 5.956 ( -0.807 2.334 -20.605) 20.752 5.997 ( -0.325 -6.597 -14.866) 16.268 5.997 ( -0.325 6.597 -14.866) 16.268 6.786 ( -7.368 -3.989 9.456) 12.634 6.786 ( -7.368 3.989 9.456) 12.634 7.063 ( -7.248 -4.854 -0.597) 8.744 7.063 ( -7.248 4.854 -0.597) 8.744 7.156 ( -6.735 -6.978 9.492) 13.570 7.156 ( -6.735 6.978 9.492) 13.570 7.667 ( 8.982 -5.772 17.707) 20.676 7.667 ( 8.982 5.772 17.707) 20.676 7.924 ( 2.104 -9.267 -0.129) 9.504 7.924 ( 2.104 9.267 -0.129) 9.504 8.325 ( 2.792 -5.822 0.550) 6.480 8.325 ( 2.792 5.822 0.550) 6.480 9.031 ( -1.916 -6.782 3.762) 7.989 9.031 ( -1.916 6.782 3.762) 7.989 9.267 ( 2.956 -2.544 -1.134) 4.061 9.267 ( 2.956 2.544 -1.134) 4.061 10.117 ( -1.384 -4.957 -5.039) 7.203 10.117 ( -1.384 4.957 -5.039) 7.203 10.225 ( -0.340 -5.522 -0.559) 5.561 10.225 ( -0.340 5.522 -0.559) 5.561 10.859 ( 5.715 -0.952 -2.483) 6.304 10.859 ( 5.715 0.952 -2.483) 6.304 11.161 ( -0.463 -22.083 5.579) 22.781 11.161 ( -0.463 22.083 5.579) 22.781 11.337 ( -2.234 -7.421 -0.887) 7.801 11.337 ( -2.234 7.421 -0.887) 7.801 13.282 ( 0.505 -2.079 -34.442) 34.509 13.282 ( 0.505 2.079 -34.442) 34.509 15.657 ( -17.431 -2.943 8.298) 19.529 15.657 ( -17.431 2.943 8.298) 19.529 16.114 ( -32.861 -17.468 13.794) 39.690 16.114 ( -32.861 17.468 13.794) 39.690 20.488 ( 11.136 -7.595 9.291) 16.372 20.488 ( 11.136 7.595 9.291) 16.372 21.630 ( 11.551 -7.757 -4.309) 14.566 21.630 ( 11.551 7.757 -4.309) 14.566 21.976 ( 9.186 -4.619 1.207) 10.352 21.976 ( 9.186 4.619 1.207) 10.352 22.439 ( 1.164 -3.574 -1.410) 4.014 22.439 ( 1.164 3.574 -1.410) 4.014 ======================= Grid point 94 (38/80) ======================= q-point: ( 0.22 -0.50 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 10.524 -10.798 1.754) 15.180 1.534 ( 10.524 10.798 1.754) 15.180 1.717 ( 8.222 -9.575 14.159) 18.967 1.717 ( 8.222 9.575 14.159) 18.967 2.138 ( -4.502 -3.288 -7.858) 9.634 2.138 ( -4.502 3.288 -7.858) 9.634 2.409 ( -2.623 -6.281 3.126) 7.491 2.409 ( -2.623 6.281 3.126) 7.491 2.653 ( -2.305 -4.405 2.104) 5.398 2.653 ( -2.305 4.405 2.104) 5.398 2.678 ( -0.199 -5.686 7.754) 9.618 2.678 ( -0.199 5.686 7.755) 9.618 3.052 ( 2.510 -10.506 0.893) 10.838 3.052 ( 2.510 10.506 0.893) 10.838 3.161 ( -2.080 -1.933 -4.306) 5.157 3.161 ( -2.080 1.933 -4.306) 5.157 3.384 ( 2.789 -2.903 3.969) 5.653 3.384 ( 2.789 2.903 3.969) 5.653 3.696 ( 0.940 -7.194 -2.400) 7.642 3.696 ( 0.940 7.194 -2.400) 7.642 3.758 ( -1.470 -16.623 -1.863) 16.792 3.758 ( -1.470 16.623 -1.863) 16.792 4.038 ( 2.129 -6.177 7.927) 10.272 4.038 ( 2.129 6.177 7.927) 10.272 5.176 ( -0.368 -3.815 -8.636) 9.448 5.176 ( -0.368 3.815 -8.636) 9.448 5.638 ( 3.412 -10.817 0.527) 11.355 5.638 ( 3.412 10.817 0.527) 11.355 5.922 ( -2.763 -3.441 -20.155) 20.632 5.922 ( -2.763 3.441 -20.155) 20.632 5.993 ( -0.166 -5.091 -13.331) 14.271 5.993 ( -0.166 5.091 -13.331) 14.271 6.608 ( -9.931 -6.026 7.618) 13.892 6.608 ( -9.931 6.026 7.618) 13.892 6.848 ( -12.714 -2.175 -3.000) 13.243 6.848 ( -12.714 2.175 -3.000) 13.243 7.094 ( -1.757 -7.325 14.908) 16.703 7.094 ( -1.757 7.325 14.908) 16.703 7.786 ( 3.006 -3.070 17.153) 17.683 7.786 ( 3.006 3.070 17.153) 17.683 7.995 ( 4.999 -10.236 -0.488) 11.402 7.995 ( 4.999 10.236 -0.488) 11.402 8.403 ( 5.095 -3.567 2.507) 6.706 8.403 ( 5.095 3.567 2.507) 6.706 9.018 ( 0.743 -6.245 0.686) 6.327 9.018 ( 0.743 6.245 0.686) 6.327 9.323 ( 2.870 -5.884 -0.992) 6.621 9.323 ( 2.870 5.884 -0.992) 6.621 10.091 ( -1.093 -8.893 -5.533) 10.531 10.091 ( -1.093 8.893 -5.533) 10.531 10.218 ( -0.316 -5.092 0.045) 5.102 10.218 ( -0.316 5.092 0.045) 5.102 10.963 ( 2.915 -3.667 -4.408) 6.432 10.963 ( 2.915 3.667 -4.408) 6.432 11.133 ( -1.667 -13.822 -0.063) 13.923 11.133 ( -1.667 13.822 -0.063) 13.923 11.314 ( 0.749 -14.408 7.213) 16.130 11.314 ( 0.749 14.408 7.213) 16.130 13.295 ( 0.884 -2.526 -31.880) 31.993 13.295 ( 0.884 2.526 -31.880) 31.993 15.237 ( -24.416 -4.640 7.143) 25.859 15.237 ( -24.416 4.640 7.143) 25.859 15.406 ( -36.705 -1.429 17.470) 40.675 15.406 ( -36.705 1.429 17.470) 40.675 20.751 ( 14.841 -6.912 7.626) 18.061 20.751 ( 14.841 6.912 7.626) 18.061 21.795 ( 5.831 -7.743 2.106) 9.920 21.795 ( 5.831 7.743 2.106) 9.920 22.216 ( 12.272 -13.094 -8.194) 19.728 22.216 ( 12.272 13.094 -8.194) 19.728 22.486 ( 4.454 -7.145 0.070) 8.420 22.486 ( 4.454 7.145 0.070) 8.420 ======================= Grid point 96 (39/80) ======================= q-point: ( 0.33 -0.50 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 7.437 -7.023 2.952) 10.647 1.705 ( 7.437 7.023 2.952) 10.647 1.856 ( 2.526 -9.729 5.323) 11.374 1.856 ( 2.526 9.729 5.323) 11.374 2.098 ( 3.654 -5.317 -0.176) 6.453 2.098 ( 3.654 5.317 -0.176) 6.453 2.372 ( -1.962 -5.675 2.667) 6.570 2.372 ( -1.962 5.675 2.667) 6.570 2.570 ( -3.020 -7.241 0.646) 7.872 2.570 ( -3.020 7.241 0.646) 7.872 2.750 ( 4.754 -1.577 5.661) 7.559 2.750 ( 4.754 1.577 5.661) 7.559 2.989 ( -8.286 -6.131 5.646) 11.753 2.989 ( -8.286 6.131 5.646) 11.753 3.164 ( 2.237 -1.281 -4.133) 4.871 3.164 ( 2.237 1.281 -4.133) 4.871 3.459 ( 3.884 -4.711 -1.365) 6.256 3.459 ( 3.884 4.711 -1.365) 6.256 3.652 ( -3.280 -14.382 -3.296) 15.115 3.652 ( -3.280 14.382 -3.296) 15.115 3.796 ( 3.321 -8.498 -0.276) 9.128 3.796 ( 3.321 8.498 -0.276) 9.128 4.077 ( 1.759 -10.851 8.404) 13.837 4.077 ( 1.759 10.851 8.404) 13.837 5.165 ( -0.691 -3.756 -8.844) 9.633 5.165 ( -0.691 3.756 -8.844) 9.633 5.704 ( 3.102 -9.016 -1.349) 9.630 5.704 ( 3.102 9.016 -1.349) 9.630 5.854 ( -3.893 -3.010 -17.878) 18.543 5.854 ( -3.893 3.010 -17.878) 18.543 5.991 ( 0.068 -4.999 -11.412) 12.459 5.991 ( 0.068 4.999 -11.412) 12.459 6.435 ( -7.964 -7.617 6.033) 12.564 6.435 ( -7.964 7.617 6.033) 12.564 6.634 ( -8.566 -3.268 -2.324) 9.458 6.634 ( -8.566 3.268 -2.324) 9.458 7.062 ( -1.614 -7.781 16.843) 18.623 7.062 ( -1.614 7.781 16.843) 18.623 7.809 ( 0.179 -2.946 11.691) 12.058 7.809 ( 0.179 2.946 11.691) 12.058 8.082 ( 3.417 -10.492 3.473) 11.568 8.082 ( 3.417 10.492 3.473) 11.568 8.505 ( 5.074 -3.525 4.531) 7.662 8.505 ( 5.074 3.525 4.531) 7.662 9.053 ( 2.381 -6.494 -1.500) 7.077 9.053 ( 2.381 6.494 -1.500) 7.077 9.380 ( 3.077 -8.509 -2.301) 9.336 9.380 ( 3.077 8.509 -2.301) 9.336 10.078 ( -0.331 -10.178 -5.376) 11.515 10.078 ( -0.331 10.178 -5.376) 11.515 10.215 ( 0.004 -3.902 0.425) 3.925 10.215 ( 0.004 3.902 0.425) 3.925 10.909 ( -6.547 -2.666 -4.374) 8.313 10.909 ( -6.547 2.666 -4.374) 8.313 11.150 ( 2.191 -16.527 0.136) 16.672 11.150 ( 2.191 16.527 0.136) 16.672 11.363 ( 3.587 -12.622 8.107) 15.424 11.363 ( 3.587 12.622 8.107) 15.424 13.313 ( 0.911 -3.052 -28.732) 28.908 13.313 ( 0.911 3.052 -28.732) 28.908 14.779 ( -22.459 -3.053 10.662) 25.047 14.779 ( -22.459 3.053 10.662) 25.048 14.822 ( -22.130 -5.353 13.143) 26.289 14.822 ( -22.130 5.353 13.143) 26.289 21.009 ( 11.189 -5.145 5.753) 13.593 21.009 ( 11.189 5.145 5.753) 13.593 21.880 ( 3.394 -9.743 4.993) 11.462 21.880 ( 3.394 9.743 4.993) 11.462 22.356 ( 3.102 -6.950 -9.413) 12.105 22.356 ( 3.102 6.950 -9.413) 12.105 22.619 ( 7.849 -18.201 -1.340) 19.867 22.619 ( 7.849 18.201 -1.340) 19.867 ======================= Grid point 98 (40/80) ======================= q-point: ( 0.44 -0.50 0.17) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.110 -7.506 -2.644) 7.958 1.790 ( 0.110 7.506 -2.644) 7.958 1.867 ( 2.458 -3.517 5.392) 6.891 1.867 ( 2.458 3.517 5.392) 6.891 2.181 ( 0.044 -2.563 0.454) 2.603 2.181 ( 0.044 2.563 0.454) 2.603 2.389 ( 6.016 -2.021 8.774) 10.828 2.389 ( 6.016 2.021 8.774) 10.828 2.540 ( -1.831 -8.257 -4.365) 9.518 2.540 ( -1.831 8.257 -4.365) 9.518 2.799 ( -3.677 -5.428 2.861) 7.153 2.799 ( -3.677 5.428 2.861) 7.153 2.848 ( -0.815 -4.366 9.718) 10.684 2.848 ( -0.815 4.366 9.718) 10.684 3.198 ( 0.978 -2.758 -2.109) 3.607 3.198 ( 0.978 2.758 -2.109) 3.607 3.501 ( 0.447 -12.491 -5.701) 13.737 3.501 ( 0.447 12.491 -5.701) 13.737 3.614 ( -0.479 -12.175 -0.487) 12.194 3.614 ( -0.479 12.175 -0.487) 12.194 3.847 ( 1.578 -2.913 -0.226) 3.320 3.847 ( 1.578 2.913 -0.226) 3.320 4.100 ( 0.585 -13.077 7.860) 15.269 4.100 ( 0.585 13.077 7.860) 15.269 5.154 ( -0.394 -3.717 -9.098) 9.836 5.154 ( -0.394 3.717 -9.098) 9.836 5.739 ( 0.340 -3.601 -8.628) 9.355 5.739 ( 0.340 3.601 -8.628) 9.355 5.800 ( -1.122 -5.090 -9.948) 11.231 5.800 ( -1.122 5.090 -9.948) 11.231 5.999 ( 0.533 -6.716 -10.379) 12.374 5.999 ( 0.533 6.716 -10.379) 12.374 6.314 ( -3.857 -6.021 5.246) 8.868 6.314 ( -3.857 6.021 5.246) 8.868 6.533 ( -2.275 -4.558 -1.922) 5.444 6.533 ( -2.275 4.558 -1.922) 5.444 7.037 ( -0.761 -7.630 17.775) 19.359 7.037 ( -0.761 7.630 17.775) 19.359 7.808 ( -0.124 -5.520 8.842) 10.424 7.808 ( -0.124 5.520 8.842) 10.424 8.122 ( 0.957 -11.138 5.520) 12.468 8.122 ( 0.957 11.138 5.520) 12.468 8.579 ( 2.135 -3.806 5.655) 7.143 8.579 ( 2.135 3.806 5.655) 7.143 9.091 ( 1.237 -7.043 -2.581) 7.602 9.091 ( 1.237 7.043 -2.581) 7.602 9.430 ( 1.612 -9.273 -3.891) 10.185 9.430 ( 1.612 9.273 -3.891) 10.185 10.075 ( -0.027 -9.962 -4.972) 11.133 10.075 ( -0.027 9.962 -4.972) 11.133 10.218 ( 0.255 -2.765 0.716) 2.868 10.218 ( 0.255 2.765 0.716) 2.868 10.797 ( -3.744 -1.009 -2.886) 4.834 10.797 ( -3.744 1.009 -2.886) 4.834 11.180 ( 0.758 -19.900 1.857) 20.001 11.180 ( 0.758 19.900 1.857) 20.001 11.420 ( 1.810 -9.163 6.043) 11.125 11.420 ( 1.810 9.163 6.043) 11.125 13.327 ( 0.404 -3.385 -26.494) 26.712 13.327 ( 0.404 3.385 -26.494) 26.712 14.471 ( -8.366 -8.455 13.508) 17.998 14.471 ( -8.366 8.455 13.508) 17.998 14.539 ( -7.673 -2.853 8.453) 11.767 14.539 ( -7.673 2.853 8.453) 11.767 21.158 ( 4.008 -3.804 4.369) 7.044 21.158 ( 4.008 3.804 4.369) 7.045 21.926 ( 1.236 -11.282 6.300) 12.981 21.926 ( 1.236 11.282 6.300) 12.981 22.385 ( 0.556 -4.357 -8.406) 9.484 22.385 ( 0.556 4.357 -8.406) 9.484 22.729 ( 3.017 -21.392 -2.831) 21.788 22.729 ( 3.017 21.392 -2.831) 21.788 ======================= Grid point 126 (41/80) ======================= q-point: ( 0.00 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.000 0.000 23.492) 23.492 0.932 ( 0.000 0.000 21.272) 21.272 1.680 ( 0.000 0.000 -13.706) 13.706 1.705 ( 0.000 0.000 -15.353) 15.353 1.846 ( 0.000 0.000 4.850) 4.850 1.939 ( 0.000 0.000 31.181) 31.181 2.217 ( 0.000 0.000 -5.801) 5.801 2.227 ( 0.000 0.000 6.937) 6.937 2.234 ( 0.000 0.000 5.880) 5.880 2.761 ( 0.000 0.000 1.452) 1.452 2.800 ( 0.000 0.000 -7.180) 7.180 2.824 ( 0.000 0.000 3.137) 3.137 2.851 ( 0.000 0.000 -3.839) 3.839 2.953 ( 0.000 0.000 -4.835) 4.835 2.955 ( 0.000 0.000 10.746) 10.746 3.201 ( 0.000 0.000 7.252) 7.252 3.343 ( 0.000 0.000 0.153) 0.153 3.471 ( 0.000 0.000 -9.183) 9.183 3.582 ( 0.000 0.000 9.187) 9.187 3.737 ( 0.000 0.000 14.540) 14.540 3.998 ( 0.000 0.000 19.120) 19.120 4.253 ( 0.000 0.000 -7.242) 7.242 4.308 ( 0.000 0.000 -19.796) 19.796 4.786 ( 0.000 0.000 -16.269) 16.269 4.831 ( 0.000 0.000 1.468) 1.468 5.063 ( 0.000 0.000 -5.482) 5.482 5.517 ( 0.000 0.000 -5.651) 5.651 5.650 ( 0.000 0.000 -14.653) 14.653 5.683 ( 0.000 0.000 3.321) 3.321 5.862 ( 0.000 0.000 -4.732) 4.732 6.189 ( 0.000 0.000 0.422) 0.422 6.345 ( 0.000 0.000 -7.455) 7.455 7.071 ( 0.000 0.000 2.420) 2.420 7.080 ( 0.000 0.000 3.595) 3.595 7.173 ( 0.000 0.000 1.477) 1.477 7.187 ( 0.000 0.000 -2.159) 2.159 7.228 ( 0.000 0.000 -1.478) 1.478 7.334 ( 0.000 0.000 -9.042) 9.042 7.439 ( 0.000 0.000 0.739) 0.739 7.484 ( 0.000 0.000 -1.361) 1.361 7.603 ( 0.000 0.000 15.970) 15.970 7.817 ( 0.000 0.000 6.366) 6.366 8.494 ( 0.000 0.000 7.517) 7.517 8.570 ( 0.000 0.000 2.344) 2.344 8.687 ( 0.000 0.000 6.710) 6.710 8.837 ( 0.000 0.000 13.587) 13.587 8.851 ( 0.000 0.000 9.152) 9.152 8.951 ( 0.000 0.000 -10.844) 10.844 10.192 ( 0.000 0.000 0.350) 0.350 10.231 ( 0.000 0.000 19.800) 19.800 10.512 ( 0.000 0.000 -7.791) 7.791 10.561 ( 0.000 0.000 5.953) 5.953 10.868 ( 0.000 0.000 -6.448) 6.448 10.882 ( 0.000 0.000 7.428) 7.428 10.950 ( 0.000 0.000 -6.273) 6.273 10.992 ( 0.000 0.000 -4.117) 4.117 11.173 ( 0.000 0.000 0.494) 0.494 12.438 ( 0.000 0.000 -44.055) 44.055 12.605 ( 0.000 0.000 0.350) 0.350 12.621 ( 0.000 0.000 -0.375) 0.375 15.595 ( 0.000 0.000 10.559) 10.559 15.740 ( 0.000 0.000 1.096) 1.096 16.228 ( 0.000 0.000 26.458) 26.458 17.426 ( 0.000 0.000 -27.815) 27.815 20.772 ( 0.000 0.000 6.774) 6.774 21.107 ( 0.000 0.000 -7.958) 7.958 21.176 ( 0.000 0.000 -0.403) 0.403 21.234 ( 0.000 0.000 -2.407) 2.407 21.913 ( 0.000 0.000 10.706) 10.706 22.078 ( 0.000 0.000 9.648) 9.648 22.218 ( 0.000 0.000 -3.974) 3.974 22.440 ( 0.000 0.000 -6.688) 6.688 ======================= Grid point 127 (42/80) ======================= q-point: ( 0.11 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 12.020 0.000 16.008) 20.018 0.936 ( 0.485 0.000 19.124) 19.130 1.694 ( 0.307 0.000 -14.724) 14.728 1.741 ( 0.514 0.000 -16.024) 16.032 1.793 ( 0.862 0.000 7.446) 7.496 2.022 ( 9.163 0.000 27.103) 28.610 2.150 ( -3.824 0.000 3.782) 5.378 2.317 ( 5.755 0.000 2.954) 6.469 2.321 ( 6.505 0.000 -1.321) 6.638 2.684 ( -7.227 0.000 1.481) 7.377 2.755 ( -2.824 0.000 -1.249) 3.088 2.791 ( 2.962 0.000 4.112) 5.068 2.915 ( -2.441 0.000 0.665) 2.530 2.965 ( 5.196 0.000 -0.753) 5.250 3.102 ( 9.492 0.000 -3.682) 10.181 3.149 ( -2.861 0.000 9.719) 10.131 3.339 ( -0.181 0.000 3.438) 3.442 3.485 ( -2.545 0.000 -7.168) 7.607 3.581 ( 2.626 0.000 5.137) 5.769 3.684 ( -5.240 0.000 12.812) 13.842 3.975 ( -2.118 0.000 17.214) 17.344 4.268 ( 1.135 0.000 -8.695) 8.769 4.339 ( 2.810 0.000 -17.357) 17.583 4.778 ( -0.840 0.000 -16.488) 16.509 4.835 ( 0.362 0.000 2.127) 2.158 5.091 ( 2.837 0.000 -5.831) 6.484 5.519 ( 0.194 0.000 -5.788) 5.791 5.645 ( -0.577 0.000 -13.154) 13.167 5.674 ( -0.971 0.000 1.976) 2.201 5.860 ( -0.180 0.000 -4.978) 4.981 6.181 ( -1.225 0.000 -0.440) 1.302 6.302 ( -4.532 0.000 -6.688) 8.079 6.844 ( -15.290 0.000 3.368) 15.656 6.969 ( -14.296 0.000 -3.144) 14.637 7.065 ( -6.207 0.000 4.243) 7.519 7.106 ( -10.560 0.000 -1.112) 10.618 7.189 ( -7.358 0.000 -1.494) 7.508 7.252 ( 1.136 0.000 -1.091) 1.575 7.550 ( 6.826 0.000 -1.649) 7.023 7.550 ( 8.227 0.000 1.901) 8.444 7.786 ( 12.559 0.000 14.958) 19.531 7.979 ( 12.476 0.000 6.482) 14.059 8.505 ( 1.176 0.000 5.292) 5.421 8.607 ( 3.107 0.000 3.981) 5.050 8.659 ( -3.050 0.000 5.050) 5.899 8.804 ( -1.411 0.000 14.331) 14.400 8.823 ( -0.965 0.000 3.330) 3.467 9.008 ( 4.312 0.000 -6.255) 7.597 10.120 ( -4.338 0.000 7.234) 8.435 10.333 ( 6.939 0.000 12.301) 14.123 10.478 ( -2.891 0.000 -7.109) 7.675 10.572 ( 0.489 0.000 5.982) 6.002 10.823 ( -4.096 0.000 -6.467) 7.655 10.944 ( 5.995 0.000 3.156) 6.775 10.953 ( -0.126 0.000 -4.923) 4.925 10.957 ( -2.886 0.000 -0.645) 2.958 11.207 ( 2.805 0.000 -1.992) 3.440 12.467 ( 2.807 0.000 -43.449) 43.539 12.600 ( -0.492 0.000 0.590) 0.769 12.628 ( 0.738 0.000 -0.707) 1.022 15.416 ( -16.538 0.000 7.777) 18.275 15.503 ( -22.620 0.000 2.012) 22.710 16.107 ( -12.973 0.000 23.422) 26.775 16.817 ( -54.075 0.000 0.632) 54.079 20.490 ( -10.563 0.000 12.826) 16.616 20.758 ( 1.001 0.000 -0.588) 1.161 21.343 ( 8.139 0.000 6.676) 10.527 21.822 ( 8.221 0.000 2.240) 8.520 22.139 ( 5.906 0.000 9.440) 11.135 22.163 ( 19.326 0.000 -19.415) 27.394 22.231 ( 1.531 0.000 -2.962) 3.334 22.585 ( 21.546 0.000 -13.437) 25.393 ======================= Grid point 128 (43/80) ======================= q-point: ( 0.22 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 4.369 0.000 13.439) 14.131 1.175 ( 15.572 0.000 3.937) 16.062 1.701 ( 1.281 0.000 -7.888) 7.991 1.731 ( 0.987 0.000 -3.208) 3.356 1.916 ( 8.442 0.000 -3.300) 9.064 2.042 ( -4.373 0.000 0.350) 4.387 2.273 ( 10.445 0.000 13.513) 17.080 2.350 ( -2.422 0.000 0.324) 2.443 2.491 ( 12.276 0.000 2.838) 12.600 2.610 ( -0.101 0.000 1.959) 1.961 2.716 ( -1.683 0.000 -1.709) 2.399 2.809 ( -4.052 0.000 3.667) 5.465 2.899 ( 3.052 0.000 7.543) 8.137 2.954 ( -4.184 0.000 4.236) 5.954 3.163 ( 0.982 0.000 12.987) 13.024 3.259 ( 5.290 0.000 -6.008) 8.005 3.351 ( 1.780 0.000 9.253) 9.423 3.411 ( -1.678 0.000 -6.675) 6.883 3.572 ( -4.442 0.000 8.903) 9.949 3.654 ( 3.702 0.000 -1.539) 4.009 3.919 ( -3.862 0.000 13.955) 14.480 4.271 ( -1.498 0.000 -9.915) 10.028 4.398 ( 2.954 0.000 -14.440) 14.739 4.752 ( -1.881 0.000 -17.182) 17.284 4.842 ( 0.232 0.000 3.646) 3.653 5.161 ( 4.093 0.000 -6.812) 7.947 5.524 ( 0.392 0.000 -5.926) 5.939 5.626 ( -1.523 0.000 -6.446) 6.624 5.649 ( -1.461 0.000 -3.765) 4.038 5.857 ( -0.188 0.000 -5.609) 5.612 6.111 ( -7.050 0.000 -1.683) 7.248 6.169 ( -9.304 0.000 -5.133) 10.626 6.587 ( -9.936 0.000 2.777) 10.317 6.704 ( -11.734 0.000 -3.050) 12.124 6.859 ( -12.352 0.000 -0.024) 12.352 6.867 ( -12.720 0.000 -1.449) 12.803 7.146 ( 0.131 0.000 4.813) 4.814 7.275 ( 1.264 0.000 0.193) 1.279 7.646 ( 3.200 0.000 3.204) 4.528 7.721 ( 8.499 0.000 4.405) 9.572 7.994 ( 8.427 0.000 18.156) 20.016 8.184 ( 7.292 0.000 8.252) 11.012 8.557 ( 5.139 0.000 -2.863) 5.883 8.583 ( -3.735 0.000 2.877) 4.715 8.651 ( 1.251 0.000 12.178) 12.242 8.846 ( 3.371 0.000 1.487) 3.684 8.852 ( 5.958 0.000 5.295) 7.971 9.089 ( 3.940 0.000 -5.365) 6.656 10.034 ( -4.565 0.000 7.199) 8.525 10.410 ( -4.110 0.000 -8.469) 9.413 10.464 ( 6.346 0.000 9.711) 11.601 10.571 ( -0.559 0.000 9.488) 9.505 10.731 ( -5.105 0.000 -6.601) 8.345 10.905 ( -2.183 0.000 6.183) 6.557 10.937 ( -1.492 0.000 -1.474) 2.098 11.084 ( 7.754 0.000 -5.908) 9.748 11.262 ( 2.894 0.000 -3.705) 4.701 12.536 ( 4.116 0.000 -41.934) 42.135 12.591 ( -0.260 0.000 1.232) 1.259 12.651 ( 1.668 0.000 -1.614) 2.321 14.993 ( -27.298 0.000 5.738) 27.894 15.058 ( -18.689 0.000 2.888) 18.911 15.748 ( -23.052 0.000 15.195) 27.609 15.765 ( -49.866 0.000 23.994) 55.338 20.570 ( 13.076 0.000 7.799) 15.225 20.854 ( 8.577 0.000 -4.500) 9.686 21.463 ( 3.851 0.000 12.885) 13.448 21.913 ( 3.850 0.000 6.417) 7.483 22.228 ( 1.997 0.000 -1.746) 2.653 22.286 ( 0.552 0.000 -15.262) 15.272 22.323 ( 8.246 0.000 11.592) 14.226 23.065 ( 20.067 0.000 -27.715) 34.217 ======================= Grid point 129 (44/80) ======================= q-point: ( 0.33 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 10.899 0.000 6.110) 12.495 1.434 ( 9.775 0.000 -7.230) 12.158 1.746 ( -0.975 0.000 -2.269) 2.470 1.757 ( 3.892 0.000 -0.125) 3.894 1.993 ( 1.397 0.000 2.315) 2.704 2.074 ( 7.514 0.000 -3.261) 8.191 2.306 ( -0.580 0.000 4.603) 4.639 2.396 ( 3.629 0.000 2.278) 4.285 2.632 ( 1.452 0.000 -1.604) 2.164 2.655 ( -2.642 0.000 -6.160) 6.703 2.677 ( -3.231 0.000 2.498) 4.084 2.690 ( -7.182 0.000 2.728) 7.682 2.942 ( -0.437 0.000 8.835) 8.846 2.956 ( 9.129 0.000 17.943) 20.132 3.138 ( -0.729 0.000 4.668) 4.724 3.290 ( -0.665 0.000 6.334) 6.369 3.385 ( 2.861 0.000 12.885) 13.199 3.463 ( 5.025 0.000 -5.231) 7.254 3.595 ( 5.304 0.000 -0.488) 5.327 3.721 ( 3.871 0.000 -1.788) 4.264 3.824 ( -6.037 0.000 10.477) 12.092 4.194 ( -6.631 0.000 -7.728) 10.183 4.443 ( 1.631 0.000 -13.379) 13.478 4.712 ( -2.096 0.000 -18.544) 18.662 4.842 ( -0.260 0.000 5.012) 5.019 5.234 ( 3.100 0.000 -8.729) 9.263 5.536 ( 1.066 0.000 -5.529) 5.631 5.588 ( -2.262 0.000 0.562) 2.331 5.626 ( -0.677 0.000 -8.182) 8.210 5.840 ( -3.362 0.000 -6.233) 7.082 5.934 ( -8.133 0.000 -1.105) 8.207 5.968 ( -10.589 0.000 -4.148) 11.372 6.478 ( -2.384 0.000 -0.257) 2.398 6.540 ( -5.555 0.000 -2.542) 6.109 6.646 ( -9.255 0.000 -1.087) 9.319 6.651 ( -9.364 0.000 -1.537) 9.489 7.153 ( 0.358 0.000 7.290) 7.299 7.297 ( 1.002 0.000 1.416) 1.735 7.685 ( 1.295 0.000 9.723) 9.809 7.859 ( 5.647 0.000 10.627) 12.034 8.097 ( 2.452 0.000 19.891) 20.042 8.258 ( 1.672 0.000 0.210) 1.685 8.538 ( -0.909 0.000 -0.135) 0.918 8.680 ( 2.055 0.000 14.346) 14.493 8.693 ( 7.636 0.000 -7.152) 10.462 8.932 ( 4.853 0.000 1.256) 5.013 8.978 ( 6.154 0.000 1.050) 6.243 9.154 ( 2.708 0.000 -4.888) 5.589 9.953 ( -3.661 0.000 6.233) 7.229 10.326 ( -4.387 0.000 -9.877) 10.807 10.547 ( -1.991 0.000 13.364) 13.512 10.565 ( 3.949 0.000 3.057) 4.994 10.649 ( -2.835 0.000 -6.369) 6.972 10.877 ( -0.732 0.000 16.269) 16.286 10.901 ( -2.086 0.000 2.576) 3.315 11.209 ( 4.711 0.000 -15.389) 16.094 11.319 ( 3.098 0.000 -1.572) 3.474 12.595 ( 0.660 0.000 1.994) 2.100 12.612 ( 3.532 0.000 -39.957) 40.113 12.688 ( 2.017 0.000 -2.870) 3.508 14.555 ( -16.957 0.000 9.700) 19.535 14.762 ( -11.095 0.000 -0.019) 11.095 14.970 ( -33.051 0.000 24.240) 40.988 15.294 ( -22.607 0.000 6.013) 23.393 20.846 ( 13.552 0.000 4.584) 14.306 21.045 ( 10.221 0.000 -3.848) 10.922 21.497 ( 0.037 0.000 13.567) 13.567 21.982 ( 3.312 0.000 5.360) 6.301 22.253 ( 0.920 0.000 -3.978) 4.083 22.271 ( -1.589 0.000 -14.964) 15.049 22.470 ( 6.215 0.000 17.283) 18.367 23.322 ( 8.030 0.000 -24.846) 26.112 ======================= Grid point 130 (45/80) ======================= q-point: ( 0.44 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 9.667 0.000 -2.180) 9.909 1.534 ( 1.766 0.000 -10.768) 10.912 1.672 ( -5.524 0.000 1.884) 5.837 1.795 ( 0.359 0.000 1.171) 1.225 2.155 ( 13.711 0.000 4.379) 14.393 2.208 ( 6.643 0.000 0.190) 6.646 2.303 ( -1.831 0.000 3.678) 4.109 2.407 ( -7.098 0.000 0.971) 7.164 2.511 ( -5.344 0.000 2.898) 6.079 2.570 ( -3.717 0.000 2.529) 4.496 2.593 ( -2.886 0.000 -0.177) 2.891 2.659 ( 0.884 0.000 -3.019) 3.146 2.892 ( -2.813 0.000 7.519) 8.028 3.112 ( 2.514 0.000 1.225) 2.797 3.197 ( 5.496 0.000 7.863) 9.594 3.284 ( 0.080 0.000 10.989) 10.990 3.480 ( 5.813 0.000 20.706) 21.506 3.543 ( 2.518 0.000 -3.249) 4.110 3.665 ( -1.558 0.000 -2.174) 2.675 3.715 ( -1.940 0.000 3.567) 4.060 3.831 ( 8.206 0.000 -0.869) 8.252 4.025 ( -10.443 0.000 -4.387) 11.327 4.461 ( 0.378 0.000 -13.525) 13.530 4.680 ( -0.954 0.000 -19.818) 19.841 4.835 ( -0.273 0.000 5.608) 5.614 5.272 ( 0.898 0.000 -11.083) 11.120 5.550 ( -1.256 0.000 2.421) 2.727 5.576 ( 3.304 0.000 -4.705) 5.749 5.632 ( 1.081 0.000 -7.354) 7.433 5.694 ( -7.713 0.000 -3.065) 8.300 5.804 ( -5.538 0.000 -3.271) 6.432 5.886 ( -0.160 0.000 -4.363) 4.366 6.466 ( 0.908 0.000 -2.026) 2.220 6.482 ( -0.670 0.000 -1.877) 1.993 6.516 ( -4.207 0.000 -1.885) 4.610 6.517 ( -4.645 0.000 -1.949) 5.037 7.157 ( 0.083 0.000 8.547) 8.548 7.311 ( 0.382 0.000 1.981) 2.017 7.703 ( 0.556 0.000 14.015) 14.026 7.930 ( 1.802 0.000 18.128) 18.217 8.112 ( -0.108 0.000 18.620) 18.620 8.280 ( 0.708 0.000 -10.887) 10.910 8.535 ( 0.122 0.000 -0.933) 0.941 8.717 ( 1.290 0.000 14.433) 14.491 8.802 ( 3.089 0.000 -8.222) 8.784 9.007 ( 2.394 0.000 0.835) 2.535 9.063 ( 2.357 0.000 0.171) 2.363 9.189 ( 0.902 0.000 -3.849) 3.953 9.903 ( -1.415 0.000 5.300) 5.485 10.260 ( -2.032 0.000 -10.480) 10.675 10.508 ( -1.403 0.000 12.795) 12.871 10.614 ( 1.236 0.000 -4.439) 4.608 10.623 ( -0.402 0.000 -3.055) 3.082 10.868 ( -1.070 0.000 5.231) 5.339 10.872 ( -0.025 0.000 25.461) 25.461 11.262 ( 1.147 0.000 -19.403) 19.436 11.370 ( 1.641 0.000 -0.871) 1.858 12.610 ( 0.667 0.000 2.442) 2.531 12.662 ( 1.463 0.000 -39.275) 39.303 12.718 ( 0.881 0.000 -2.945) 3.073 14.371 ( -1.850 0.000 13.627) 13.752 14.503 ( -15.555 0.000 19.265) 24.761 14.648 ( -1.380 0.000 0.636) 1.520 14.949 ( -11.307 0.000 -1.245) 11.375 21.035 ( 5.384 0.000 3.608) 6.481 21.204 ( 5.166 0.000 -3.503) 6.241 21.480 ( -1.232 0.000 13.890) 13.945 22.032 ( 1.594 0.000 5.352) 5.584 22.240 ( -1.223 0.000 -16.466) 16.512 22.265 ( 0.310 0.000 -4.498) 4.509 22.550 ( 2.054 0.000 19.441) 19.549 23.412 ( 2.033 0.000 -21.974) 22.068 ======================= Grid point 135 (46/80) ======================= q-point: ( 0.00 0.17 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 7.043 20.769) 21.930 1.222 ( 0.000 21.725 14.677) 26.219 1.741 ( 0.000 -0.068 -3.179) 3.180 1.746 ( 0.000 3.485 -17.747) 18.086 1.855 ( 0.000 4.636 -2.939) 5.489 2.064 ( 0.000 11.874 24.405) 27.140 2.179 ( 0.000 -3.191 6.865) 7.570 2.242 ( 0.000 2.660 -4.502) 5.229 2.300 ( 0.000 4.398 4.195) 6.078 2.788 ( 0.000 2.736 3.795) 4.678 2.854 ( 0.000 0.574 -0.699) 0.904 2.859 ( 0.000 3.854 4.582) 5.987 2.933 ( 0.000 10.203 -8.436) 13.239 2.972 ( 0.000 1.292 7.241) 7.355 2.979 ( 0.000 2.849 -0.866) 2.978 3.183 ( 0.000 -0.948 5.938) 6.014 3.361 ( 0.000 2.118 -0.864) 2.287 3.423 ( 0.000 -4.026 -7.446) 8.465 3.539 ( 0.000 -3.173 10.655) 11.118 3.752 ( 0.000 0.693 12.722) 12.741 3.927 ( 0.000 -6.656 19.354) 20.466 4.206 ( 0.000 -5.002 -4.839) 6.960 4.262 ( 0.000 -4.496 -17.892) 18.448 4.655 ( 0.000 -11.717 -6.767) 13.531 4.850 ( 0.000 1.594 -7.108) 7.284 5.120 ( 0.000 5.457 -7.761) 9.487 5.504 ( 0.000 -13.447 3.518) 13.900 5.525 ( 0.000 0.821 -6.857) 6.906 5.633 ( 0.000 -1.231 -13.955) 14.009 5.778 ( 0.000 -6.961 -8.621) 11.081 6.105 ( 0.000 -9.635 0.502) 9.648 6.209 ( 0.000 -12.035 -5.548) 13.252 6.920 ( 0.000 -5.136 1.563) 5.369 6.932 ( 0.000 -1.632 2.046) 2.617 7.141 ( 0.000 -2.710 2.221) 3.504 7.199 ( 0.000 3.136 1.999) 3.719 7.322 ( 0.000 -1.450 -8.182) 8.310 7.379 ( 0.000 10.368 -3.914) 11.082 7.600 ( 0.000 -0.912 14.548) 14.577 7.747 ( 0.000 18.572 2.619) 18.756 7.771 ( 0.000 -2.793 8.139) 8.604 7.846 ( 0.000 19.099 -0.282) 19.101 8.362 ( 0.000 -9.567 6.776) 11.723 8.569 ( 0.000 -4.948 -1.743) 5.246 8.764 ( 0.000 10.541 5.891) 12.075 8.837 ( 0.000 4.749 11.230) 12.193 8.914 ( 0.000 4.203 7.582) 8.669 9.054 ( 0.000 7.537 -5.097) 9.098 10.138 ( 0.000 -4.738 -0.182) 4.741 10.251 ( 0.000 -0.423 11.933) 11.940 10.425 ( 0.000 -7.831 -8.295) 11.407 10.545 ( 0.000 -1.456 3.806) 4.075 10.722 ( 0.000 -5.602 6.040) 8.238 10.874 ( 0.000 -3.492 -0.347) 3.509 11.019 ( 0.000 6.070 -4.023) 7.282 11.078 ( 0.000 4.347 -8.677) 9.705 11.130 ( 0.000 -2.916 6.221) 6.871 12.399 ( 0.000 -16.545 3.583) 16.929 12.453 ( 0.000 1.308 -43.420) 43.440 12.629 ( 0.000 -1.533 -10.135) 10.250 15.728 ( 0.000 12.372 8.738) 15.147 15.791 ( 0.000 4.975 2.987) 5.803 16.231 ( 0.000 -0.246 24.766) 24.767 17.316 ( 0.000 -10.620 -22.724) 25.084 20.751 ( 0.000 -2.009 7.836) 8.090 20.866 ( 0.000 -14.432 16.000) 21.547 21.128 ( 0.000 1.992 -8.799) 9.022 21.386 ( 0.000 2.476 -12.294) 12.541 21.956 ( 0.000 3.288 8.951) 9.535 22.075 ( 0.000 -0.274 9.682) 9.686 22.248 ( 0.000 2.487 -4.066) 4.766 22.433 ( 0.000 -0.764 -6.437) 6.482 ======================= Grid point 136 (47/80) ======================= q-point: ( 0.11 0.17 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 11.074 7.019 15.675) 20.436 1.220 ( -0.293 21.111 12.081) 24.325 1.720 ( -0.018 0.752 -4.158) 4.226 1.786 ( 3.707 3.217 -13.313) 14.189 1.843 ( -1.060 5.210 -2.141) 5.732 2.102 ( 3.343 5.135 11.866) 13.354 2.197 ( 2.192 4.938 17.158) 17.988 2.289 ( 5.580 0.867 -5.637) 7.979 2.389 ( 6.969 3.846 0.318) 7.966 2.734 ( -9.269 3.517 4.521) 10.896 2.789 ( -3.956 4.543 0.354) 6.034 2.823 ( 2.881 2.877 3.129) 5.135 2.912 ( -1.781 -0.683 1.034) 2.169 3.010 ( 4.211 3.993 1.142) 5.915 3.132 ( 3.761 1.086 1.346) 4.139 3.144 ( 1.619 1.982 3.185) 4.086 3.344 ( -0.895 1.080 1.668) 2.179 3.421 ( -2.073 -4.947 -5.131) 7.422 3.544 ( 1.346 -2.594 7.920) 8.442 3.703 ( -4.428 0.660 9.907) 10.872 3.913 ( -1.413 -5.709 17.607) 18.564 4.213 ( 0.665 -5.638 -5.748) 8.079 4.298 ( 3.126 -3.974 -15.453) 16.259 4.659 ( 0.347 -11.491 -6.524) 13.218 4.843 ( -0.716 1.472 -6.734) 6.930 5.146 ( 2.584 5.231 -8.203) 10.066 5.493 ( -1.042 -11.592 2.196) 11.844 5.529 ( 0.311 -0.951 -5.580) 5.669 5.626 ( -0.740 -1.425 -13.663) 13.757 5.779 ( 0.020 -6.747 -8.917) 11.183 6.111 ( 0.393 -8.835 -0.076) 8.844 6.193 ( -1.733 -10.163 -5.134) 11.517 6.752 ( -13.677 -2.975 2.809) 14.276 6.836 ( -10.012 -2.341 -1.320) 10.366 7.076 ( -7.594 0.877 3.057) 8.233 7.148 ( -2.546 -0.177 2.637) 3.670 7.206 ( -11.108 0.986 -3.459) 11.676 7.386 ( -0.146 10.520 -4.039) 11.270 7.626 ( 0.679 1.598 8.767) 8.937 7.767 ( 8.588 8.053 4.191) 12.496 7.840 ( 6.938 9.676 9.018) 14.936 8.071 ( 13.990 8.827 3.740) 16.959 8.407 ( 4.071 -8.219 6.675) 11.344 8.565 ( -0.816 -5.592 -0.791) 5.706 8.733 ( -0.906 8.037 3.062) 8.648 8.775 ( -5.421 4.879 10.991) 13.191 8.954 ( 3.278 7.712 6.449) 10.575 9.083 ( 2.660 5.914 -3.875) 7.555 10.100 ( -3.321 -2.951 2.385) 5.042 10.296 ( 3.449 -4.031 8.545) 10.058 10.402 ( -2.134 -7.001 -8.053) 10.882 10.563 ( 1.780 -1.395 3.319) 4.016 10.705 ( -1.883 -5.369 3.857) 6.874 10.895 ( 1.624 -2.187 -0.675) 2.807 11.016 ( -1.915 2.796 -8.141) 8.818 11.052 ( 0.780 5.907 2.837) 6.599 11.174 ( 3.096 -2.167 1.058) 3.924 12.403 ( 0.438 -15.841 2.933) 16.116 12.483 ( 2.905 1.105 -41.834) 41.949 12.640 ( 1.169 -0.856 -9.939) 10.045 15.533 ( -17.980 10.715 6.771) 21.999 15.563 ( -21.968 5.652 3.496) 22.951 16.107 ( -13.378 -0.482 21.571) 25.387 16.773 ( -48.880 -4.980 -0.966) 49.142 20.524 ( -5.754 3.390 13.711) 15.251 20.792 ( 3.688 2.644 2.244) 5.063 21.315 ( 8.455 -2.072 2.827) 9.153 21.793 ( 14.346 -3.836 -4.272) 15.452 22.085 ( 11.355 -3.546 -4.819) 12.835 22.149 ( 9.049 -1.052 4.540) 10.178 22.262 ( 1.450 2.280 -4.652) 5.380 22.529 ( 13.745 -4.175 -8.735) 16.813 ======================= Grid point 137 (48/80) ======================= q-point: ( 0.22 0.17 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 4.765 12.712 9.968) 16.842 1.290 ( 10.965 11.149 3.905) 16.118 1.759 ( 2.278 6.526 -5.485) 8.824 1.817 ( 1.799 4.978 -5.071) 7.330 1.914 ( 7.010 -0.290 0.328) 7.023 2.108 ( -0.932 4.444 1.808) 4.887 2.307 ( 4.432 4.021 9.644) 11.350 2.391 ( 3.242 3.352 -4.905) 6.768 2.520 ( 6.801 2.662 0.900) 7.359 2.601 ( -2.052 -0.727 3.014) 3.718 2.736 ( -1.920 3.036 2.994) 4.676 2.855 ( -1.196 -2.059 5.933) 6.393 2.872 ( -1.027 4.950 1.966) 5.424 3.001 ( -3.803 2.575 6.157) 7.681 3.143 ( 2.135 -1.234 12.286) 12.531 3.260 ( 2.936 0.095 -4.955) 5.760 3.351 ( -0.760 -1.577 3.047) 3.514 3.375 ( 2.440 -0.621 -1.745) 3.063 3.563 ( -0.234 -0.295 6.768) 6.779 3.644 ( 0.445 -1.162 2.013) 2.367 3.869 ( -3.396 -4.453 14.099) 15.170 4.214 ( -1.096 -5.653 -5.719) 8.115 4.361 ( 3.089 -3.540 -12.971) 13.796 4.664 ( 0.023 -10.689 -6.395) 12.456 4.822 ( -1.500 0.958 -5.720) 5.991 5.209 ( 3.628 4.574 -9.703) 11.324 5.466 ( -1.734 -10.777 1.604) 11.033 5.535 ( 0.394 -1.559 -4.905) 5.162 5.605 ( -1.383 -1.792 -12.618) 12.819 5.775 ( -0.547 -6.602 -9.514) 11.593 6.097 ( -2.964 -5.354 -1.506) 6.302 6.137 ( -4.406 -3.941 -3.867) 7.064 6.493 ( -11.333 -3.539 3.718) 12.442 6.619 ( -10.388 -2.538 -2.917) 11.084 6.892 ( -10.869 1.388 0.393) 10.964 6.945 ( -13.972 1.612 -2.974) 14.376 7.128 ( -0.246 1.131 7.674) 7.760 7.372 ( -1.032 9.462 -3.021) 9.986 7.687 ( 4.613 -0.198 12.048) 12.903 7.894 ( 3.149 12.375 2.223) 12.962 8.004 ( 9.235 2.067 15.172) 17.882 8.295 ( 7.643 7.901 7.420) 13.263 8.505 ( 6.487 -4.279 0.633) 7.797 8.537 ( -0.824 -5.029 0.235) 5.102 8.676 ( -3.596 4.413 10.879) 12.278 8.788 ( 6.000 3.153 -0.282) 6.784 9.024 ( 3.892 9.389 2.753) 10.530 9.141 ( 3.041 4.023 -2.855) 5.796 10.025 ( -4.229 -1.705 3.736) 5.895 10.345 ( -0.680 -7.585 -1.326) 7.730 10.354 ( -0.873 -6.444 -1.834) 6.756 10.594 ( -0.031 -6.193 -4.526) 7.670 10.672 ( -0.121 2.433 10.456) 10.736 10.909 ( -0.259 0.204 1.051) 1.101 10.958 ( -3.303 1.356 -1.819) 4.008 11.120 ( 4.872 2.798 -3.135) 6.434 11.237 ( 3.600 -1.528 1.629) 4.236 12.417 ( 1.003 -14.607 3.447) 15.041 12.553 ( 4.147 1.151 -39.998) 40.228 12.673 ( 2.208 0.581 -9.495) 9.766 15.059 ( -27.457 6.289 6.114) 28.824 15.142 ( -20.533 7.714 2.948) 22.131 15.738 ( -23.607 -1.438 13.956) 27.462 15.787 ( -48.359 1.145 19.670) 52.219 20.634 ( 13.000 6.024 8.942) 16.890 20.931 ( 10.063 6.771 -2.169) 12.321 21.445 ( 4.644 -1.363 9.707) 10.846 21.931 ( 4.807 1.420 5.133) 7.175 22.215 ( 3.724 -2.274 -5.198) 6.787 22.283 ( 0.852 0.484 -9.550) 9.600 22.305 ( 6.462 -1.492 8.209) 10.553 22.915 ( 19.356 -12.881 -21.054) 31.366 ======================= Grid point 138 (49/80) ======================= q-point: ( 0.33 0.17 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 7.385 11.119 4.077) 13.957 1.511 ( 8.976 6.485 -5.845) 12.522 1.793 ( 2.161 4.718 -0.606) 5.224 1.871 ( 1.789 6.825 -2.479) 7.478 2.021 ( 4.053 1.887 2.679) 5.212 2.143 ( 5.019 7.316 -0.010) 8.872 2.294 ( -1.557 -0.122 3.485) 3.819 2.445 ( 2.320 5.152 -0.340) 5.661 2.588 ( -2.907 -4.838 -0.084) 5.645 2.607 ( 0.787 -3.561 -5.123) 6.288 2.671 ( -4.821 1.956 4.155) 6.658 2.785 ( -5.810 6.194 -1.596) 8.641 2.914 ( -0.511 -2.289 8.596) 8.910 2.974 ( 7.208 1.575 16.817) 18.364 3.151 ( -0.175 1.664 5.493) 5.742 3.278 ( 0.071 -1.476 5.792) 5.978 3.368 ( 3.516 -2.202 2.785) 4.997 3.463 ( 4.653 0.787 1.446) 4.935 3.599 ( 4.106 0.524 0.148) 4.142 3.702 ( 4.859 -1.483 -0.311) 5.090 3.781 ( -5.731 -3.633 11.757) 13.575 4.156 ( -5.181 -3.941 -3.682) 7.478 4.408 ( 1.744 -3.313 -12.022) 12.592 4.658 ( -0.595 -9.436 -7.148) 11.852 4.789 ( -1.752 -0.110 -4.464) 4.796 5.270 ( 2.362 3.332 -12.795) 13.431 5.427 ( -2.245 -10.443 1.270) 10.757 5.550 ( 1.302 -1.497 -3.957) 4.426 5.580 ( -0.923 -1.845 -10.431) 10.633 5.742 ( -3.427 -6.728 -9.505) 12.139 5.993 ( -7.518 -0.490 -1.742) 7.733 6.014 ( -6.503 4.664 -1.806) 8.204 6.377 ( -1.123 -6.440 1.988) 6.833 6.485 ( -3.493 -2.919 -3.085) 5.499 6.693 ( -9.617 1.526 -1.557) 9.861 6.698 ( -10.948 1.560 -1.431) 11.150 7.132 ( 0.362 0.487 9.228) 9.248 7.352 ( -0.921 7.475 -1.234) 7.632 7.773 ( 3.871 -2.609 15.839) 16.512 7.914 ( -0.186 10.467 9.370) 14.050 8.134 ( 3.496 3.818 17.364) 18.119 8.374 ( 2.749 6.540 -2.118) 7.404 8.516 ( -0.824 0.161 -2.082) 2.245 8.664 ( 2.150 -0.039 12.685) 12.866 8.671 ( 8.136 -1.625 -1.584) 8.446 8.923 ( 7.192 2.306 -0.560) 7.573 9.094 ( 3.090 7.413 -0.620) 8.055 9.190 ( 1.887 3.177 -2.478) 4.449 9.949 ( -3.367 -0.887 3.323) 4.813 10.280 ( -3.721 -4.227 -9.522) 11.062 10.366 ( 0.123 -9.796 4.445) 10.758 10.561 ( -1.954 -8.203 -7.560) 11.325 10.699 ( 1.512 6.031 9.561) 11.405 10.895 ( -2.685 -0.489 2.112) 3.451 10.903 ( -0.323 2.305 11.734) 11.962 11.197 ( 2.760 -1.340 -12.811) 13.174 11.314 ( 4.155 0.430 4.329) 6.016 12.441 ( 1.518 -13.367 4.690) 14.247 12.629 ( 3.484 1.305 -38.593) 38.772 12.720 ( 2.416 1.772 -9.025) 9.509 14.607 ( -18.006 5.284 9.790) 21.166 14.810 ( -13.074 4.247 0.694) 13.763 15.004 ( -32.761 2.675 21.323) 39.181 15.277 ( -22.694 -1.964 5.770) 23.498 20.902 ( 12.988 5.222 5.997) 15.229 21.138 ( 10.551 8.237 -2.261) 13.575 21.492 ( 0.465 -0.130 11.290) 11.300 22.017 ( 4.116 3.080 4.294) 6.698 22.246 ( -0.235 -1.796 -12.781) 12.909 22.283 ( 0.176 2.220 -5.681) 6.102 22.433 ( 5.749 -3.383 15.574) 16.942 23.183 ( 9.069 -12.648 -21.171) 26.276 ======================= Grid point 139 (50/80) ======================= q-point: ( 0.44 0.17 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 5.569 5.225 -2.269) 7.967 1.606 ( 2.237 6.201 -11.019) 12.841 1.787 ( -2.784 8.458 1.625) 9.052 1.898 ( 1.037 6.684 1.613) 6.954 2.150 ( 10.017 -0.297 3.421) 10.589 2.236 ( 4.220 3.355 0.330) 5.401 2.302 ( -0.775 0.795 3.544) 3.714 2.391 ( -9.198 -0.755 1.992) 9.441 2.519 ( 1.201 2.313 -0.337) 2.627 2.580 ( -3.273 2.722 3.659) 5.613 2.643 ( 1.518 -0.381 -2.841) 3.244 2.689 ( -3.899 5.475 -1.144) 6.818 2.838 ( -3.402 -4.413 8.094) 9.826 3.121 ( 2.555 0.906 3.688) 4.577 3.186 ( 3.851 -0.791 7.915) 8.838 3.280 ( 0.221 -1.323 10.256) 10.343 3.465 ( 5.820 -2.740 4.037) 7.595 3.531 ( 1.935 0.528 6.130) 6.450 3.648 ( -5.147 -1.599 3.653) 6.511 3.677 ( 1.087 -2.743 -0.902) 3.085 3.833 ( 8.180 0.022 2.892) 8.676 4.021 ( -8.366 -0.796 -0.948) 8.457 4.428 ( 0.427 -3.198 -12.197) 12.616 4.646 ( -0.443 -8.550 -7.972) 11.698 4.762 ( -0.846 -1.067 -3.759) 3.998 5.295 ( 0.459 1.979 -16.015) 16.144 5.390 ( -1.271 -10.455 1.221) 10.602 5.582 ( 1.623 -3.045 -6.291) 7.176 5.587 ( 1.787 -0.405 -5.548) 5.843 5.652 ( -4.891 -4.005 -8.021) 10.212 5.852 ( -4.965 3.696 1.018) 6.272 5.950 ( -1.106 3.951 -3.564) 5.435 6.403 ( 2.916 -4.829 0.299) 5.649 6.466 ( 0.807 -2.006 -2.558) 3.349 6.521 ( -6.697 -0.384 -0.887) 6.766 6.556 ( -4.752 1.781 -2.561) 5.685 7.137 ( 0.169 0.104 9.764) 9.766 7.339 ( -0.346 6.149 -0.199) 6.162 7.822 ( 1.120 -7.662 19.425) 20.912 7.913 ( 0.229 14.519 13.422) 19.774 8.151 ( -0.435 1.658 15.144) 15.241 8.429 ( 2.324 11.055 -9.877) 15.006 8.500 ( -0.733 -1.381 -0.129) 1.569 8.715 ( 2.057 0.086 13.923) 14.075 8.781 ( 2.862 -1.607 -3.384) 4.714 9.036 ( 3.724 3.084 -0.482) 4.859 9.134 ( 0.988 4.943 -2.106) 5.463 9.209 ( 0.164 2.426 -2.268) 3.325 9.904 ( -1.229 -0.208 2.404) 2.708 10.223 ( -1.775 -3.235 -10.265) 10.908 10.362 ( -0.279 -9.390 5.188) 10.731 10.539 ( -0.448 -7.338 -7.230) 10.311 10.714 ( 0.249 4.587 3.951) 6.059 10.851 ( -1.424 -1.448 5.976) 6.311 10.908 ( 0.359 3.465 19.777) 20.082 11.229 ( 0.718 -2.864 -15.948) 16.219 11.375 ( 1.800 1.031 3.539) 4.102 12.467 ( 0.902 -12.739 5.691) 13.982 12.677 ( 1.345 1.376 -38.123) 38.171 12.756 ( 1.124 2.400 -8.502) 8.905 14.406 ( -2.528 3.705 13.501) 14.227 14.532 ( -15.133 2.855 17.714) 23.472 14.673 ( -2.635 1.801 0.890) 3.314 14.936 ( -11.018 -1.588 -0.597) 11.148 21.083 ( 5.126 4.353 5.015) 8.389 21.303 ( 5.802 9.087 -2.978) 11.185 21.474 ( -1.815 -0.341 12.740) 12.874 22.080 ( 2.051 4.372 4.063) 6.311 22.226 ( -1.062 -1.531 -16.273) 16.380 22.291 ( 0.300 2.687 -4.215) 5.008 22.508 ( 1.969 -3.888 17.950) 18.471 23.289 ( 2.490 -11.467 -19.482) 22.743 ======================= Grid point 144 (51/80) ======================= q-point: ( 0.00 0.33 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.000 12.194 14.417) 18.882 1.563 ( 0.000 -2.447 4.482) 5.106 1.653 ( 0.000 6.260 12.477) 13.959 1.829 ( 0.000 4.217 -19.042) 19.503 1.995 ( 0.000 3.971 -9.531) 10.325 2.083 ( 0.000 -5.944 10.342) 11.928 2.274 ( 0.000 5.235 -12.231) 13.305 2.385 ( 0.000 2.640 -4.005) 4.797 2.475 ( 0.000 21.967 22.106) 31.164 2.861 ( 0.000 2.115 4.611) 5.073 2.886 ( 0.000 3.835 7.446) 8.375 2.903 ( 0.000 1.083 1.771) 2.076 2.997 ( 0.000 0.864 1.617) 1.833 3.019 ( 0.000 -0.398 10.880) 10.887 3.159 ( 0.000 4.550 -2.884) 5.387 3.263 ( 0.000 13.289 -1.931) 13.428 3.332 ( 0.000 -4.540 -4.923) 6.697 3.455 ( 0.000 6.627 0.013) 6.627 3.525 ( 0.000 5.137 7.235) 8.873 3.687 ( 0.000 -10.894 15.343) 18.817 3.785 ( 0.000 -3.265 13.702) 14.085 4.042 ( 0.000 -10.225 -2.520) 10.531 4.133 ( 0.000 -7.177 -11.061) 13.185 4.333 ( 0.000 -18.465 -3.859) 18.864 4.909 ( 0.000 4.442 -6.689) 8.030 5.240 ( 0.000 -11.445 1.598) 11.556 5.286 ( 0.000 10.447 -10.660) 14.925 5.544 ( 0.000 0.685 -9.720) 9.744 5.633 ( 0.000 2.157 -11.367) 11.570 5.634 ( 0.000 -6.060 -14.074) 15.323 5.839 ( 0.000 -14.190 -1.340) 14.253 5.941 ( 0.000 -12.429 -7.875) 14.714 6.924 ( 0.000 3.682 3.244) 4.907 6.992 ( 0.000 5.390 -0.258) 5.396 7.077 ( 0.000 -3.303 3.458) 4.782 7.257 ( 0.000 -5.076 -4.865) 7.031 7.300 ( 0.000 6.479 8.304) 10.533 7.549 ( 0.000 -3.823 11.845) 12.447 7.611 ( 0.000 10.635 -3.952) 11.346 7.754 ( 0.000 0.857 8.605) 8.647 7.980 ( 0.000 2.786 8.768) 9.200 8.119 ( 0.000 9.991 1.827) 10.157 8.158 ( 0.000 -9.189 7.118) 11.624 8.432 ( 0.000 -7.548 -3.264) 8.223 9.021 ( 0.000 12.569 2.925) 12.905 9.037 ( 0.000 9.517 6.367) 11.450 9.071 ( 0.000 12.600 3.082) 12.972 9.195 ( 0.000 5.037 0.833) 5.105 10.035 ( 0.000 -3.727 -2.270) 4.364 10.152 ( 0.000 -7.593 2.213) 7.909 10.233 ( 0.000 -9.193 -7.852) 12.090 10.393 ( 0.000 -12.380 -5.239) 13.443 10.763 ( 0.000 5.698 7.750) 9.619 10.826 ( 0.000 -1.228 3.212) 3.439 11.072 ( 0.000 1.811 -2.118) 2.787 11.141 ( 0.000 1.499 -10.191) 10.300 11.189 ( 0.000 8.932 12.483) 15.350 11.970 ( 0.000 -23.493 9.247) 25.247 12.487 ( 0.000 1.961 -40.682) 40.730 12.584 ( 0.000 -2.533 -24.012) 24.145 15.920 ( 0.000 7.606 7.869) 10.944 16.086 ( 0.000 20.959 3.877) 21.314 16.194 ( 0.000 -3.742 20.287) 20.629 17.001 ( 0.000 -19.335 -12.637) 23.099 20.672 ( 0.000 -4.571 19.772) 20.293 20.697 ( 0.000 -2.916 10.955) 11.337 21.188 ( 0.000 3.714 -10.872) 11.489 21.363 ( 0.000 -3.459 -13.846) 14.272 22.016 ( 0.000 2.247 8.380) 8.676 22.066 ( 0.000 -0.579 9.624) 9.641 22.306 ( 0.000 2.930 -4.197) 5.118 22.408 ( 0.000 -1.696 -5.733) 5.979 ======================= Grid point 145 (52/80) ======================= q-point: ( 0.11 0.33 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 10.528 11.351 11.686) 19.397 1.561 ( -0.306 3.897 2.898) 4.866 1.718 ( 6.535 4.062 12.401) 14.594 1.855 ( 2.365 3.723 -15.448) 16.066 1.945 ( -3.417 3.066 -7.464) 8.763 2.099 ( 1.185 -4.177 7.940) 9.049 2.314 ( 3.212 4.776 -9.028) 10.707 2.390 ( 2.175 3.138 0.117) 3.820 2.546 ( 5.134 15.070 11.919) 19.888 2.795 ( -7.734 2.586 6.737) 10.577 2.887 ( 0.908 3.799 5.624) 6.847 2.895 ( -3.225 0.701 4.070) 5.240 2.938 ( -0.807 5.492 -1.729) 5.814 3.047 ( 2.188 -1.911 11.376) 11.741 3.124 ( -4.378 -0.026 -1.692) 4.694 3.276 ( 1.775 2.952 -3.114) 4.643 3.358 ( 0.454 5.989 -3.490) 6.946 3.447 ( -0.382 9.304 -3.536) 9.961 3.503 ( -0.295 -0.587 11.171) 11.190 3.671 ( -2.609 -5.106 11.192) 12.575 3.781 ( 0.223 -4.853 14.101) 14.915 4.037 ( -0.262 -10.882 -2.484) 11.165 4.179 ( 3.878 -7.038 -9.060) 12.110 4.343 ( 0.934 -17.771 -2.630) 17.989 4.904 ( -0.596 4.582 -6.909) 8.312 5.236 ( -0.367 -11.165 1.297) 11.246 5.307 ( 1.961 9.896 -11.566) 15.347 5.538 ( -0.486 0.601 -8.869) 8.903 5.614 ( -1.217 -1.684 -13.233) 13.395 5.650 ( 0.756 -2.204 -11.988) 12.212 5.858 ( 1.848 -13.600 -1.575) 13.815 5.947 ( 0.603 -12.086 -7.386) 14.177 6.792 ( -11.746 5.340 3.137) 13.279 6.875 ( -10.397 4.225 -0.606) 11.239 7.029 ( -6.651 -3.813 0.804) 7.709 7.136 ( -10.121 -4.264 -3.200) 11.440 7.264 ( -2.450 6.871 10.863) 13.085 7.564 ( 1.485 -5.168 14.136) 15.124 7.636 ( 0.496 11.909 -5.087) 12.960 7.856 ( 10.295 2.998 7.505) 13.088 8.018 ( 2.113 3.370 4.541) 6.037 8.178 ( 6.809 -4.376 11.151) 13.779 8.264 ( 9.186 0.674 3.409) 9.821 8.435 ( 0.255 -6.240 -2.171) 6.612 8.918 ( -4.823 10.876 3.760) 12.478 9.030 ( -3.359 14.204 2.768) 14.856 9.145 ( 5.433 10.057 3.316) 11.902 9.193 ( -0.038 3.880 0.361) 3.897 10.012 ( -2.301 -3.870 -0.911) 4.593 10.157 ( 0.351 -8.330 0.647) 8.363 10.229 ( -0.507 -8.337 -7.360) 11.132 10.384 ( -0.912 -12.997 -6.316) 14.479 10.774 ( 1.547 7.002 6.829) 9.903 10.865 ( 3.127 -0.766 2.075) 3.830 11.053 ( -2.218 1.912 -4.017) 4.971 11.131 ( -0.706 0.248 -8.451) 8.484 11.217 ( 2.918 8.953 15.033) 17.739 11.986 ( 1.624 -22.951 9.725) 24.979 12.515 ( 2.804 1.907 -39.755) 39.899 12.606 ( 2.287 -2.168 -23.409) 23.620 15.711 ( -20.262 8.528 7.497) 23.226 15.823 ( -22.528 14.844 6.506) 27.752 16.076 ( -14.613 -1.592 14.878) 20.915 16.589 ( -38.193 -12.959 -1.886) 40.375 20.625 ( 3.097 6.056 15.221) 16.672 20.822 ( 10.253 -0.761 11.047) 15.091 21.305 ( 8.269 2.329 -7.928) 11.690 21.637 ( 20.240 -10.313 -14.058) 26.714 22.056 ( 4.102 0.641 5.014) 6.510 22.121 ( 5.576 -1.606 8.341) 10.161 22.317 ( 0.999 2.963 -4.284) 5.304 22.449 ( 5.136 -3.478 -5.374) 8.207 ======================= Grid point 146 (53/80) ======================= q-point: ( 0.22 0.33 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 10.979 10.657 6.716) 16.710 1.564 ( 1.618 11.307 0.582) 11.437 1.871 ( 3.899 -1.816 6.680) 7.945 1.905 ( 2.890 3.374 -6.150) 7.586 1.912 ( 4.390 5.335 -6.243) 9.312 2.132 ( 2.213 -2.876 8.696) 9.423 2.367 ( 2.460 1.151 -2.861) 3.944 2.466 ( 3.821 -1.332 -6.552) 7.701 2.590 ( -2.271 7.188 2.518) 7.948 2.650 ( -5.680 6.391 5.747) 10.302 2.828 ( -1.079 -0.116 4.919) 5.037 2.872 ( -1.324 8.822 5.718) 10.596 2.974 ( -1.354 -1.766 9.168) 9.434 2.995 ( -2.526 2.717 -2.105) 4.265 3.139 ( 4.769 -0.980 4.467) 6.608 3.279 ( -1.198 -2.659 -2.222) 3.667 3.341 ( -2.481 9.202 -0.576) 9.548 3.433 ( 0.708 4.167 2.704) 5.018 3.572 ( 5.900 2.049 5.488) 8.314 3.609 ( -2.548 -2.413 5.370) 6.415 3.774 ( -1.533 -3.375 11.409) 11.996 4.035 ( -0.073 -11.506 -0.345) 11.511 4.255 ( 3.679 -6.356 -7.359) 10.397 4.362 ( 0.874 -16.243 0.239) 16.268 4.884 ( -1.388 4.946 -7.672) 9.232 5.224 ( -0.919 -10.779 0.739) 10.844 5.349 ( 1.940 8.103 -15.676) 17.752 5.531 ( 0.087 1.197 -5.494) 5.624 5.584 ( -1.898 -2.322 -13.288) 13.622 5.660 ( 0.183 -1.522 -10.856) 10.964 5.897 ( 1.627 -11.683 -2.256) 12.010 5.962 ( 1.061 -11.173 -6.166) 12.805 6.546 ( -12.561 6.929 3.479) 14.762 6.653 ( -11.259 4.627 -1.539) 12.270 6.852 ( -10.390 -4.638 -0.350) 11.384 6.908 ( -12.862 -4.486 -2.249) 13.806 7.235 ( -0.843 8.161 12.811) 15.213 7.591 ( 0.476 -3.106 13.182) 13.551 7.635 ( 0.074 9.620 -1.541) 9.743 8.042 ( 0.635 0.491 2.432) 2.561 8.076 ( 11.300 3.255 10.068) 15.481 8.312 ( 4.436 -5.925 13.748) 15.614 8.454 ( 3.445 -1.205 -0.549) 3.691 8.466 ( 10.867 0.738 3.946) 11.585 8.849 ( -2.732 10.605 1.518) 11.056 8.986 ( 0.014 13.272 1.406) 13.347 9.185 ( -0.200 3.211 -1.403) 3.510 9.246 ( 4.260 7.515 0.425) 8.649 9.958 ( -2.994 -3.389 0.718) 4.579 10.161 ( 0.134 -8.815 -1.231) 8.902 10.214 ( -0.960 -6.609 -6.863) 9.576 10.360 ( -1.518 -13.216 -7.907) 15.475 10.812 ( 1.555 7.611 5.733) 9.655 10.914 ( 1.505 0.232 -0.304) 1.553 10.990 ( -3.688 2.290 -2.501) 5.010 11.128 ( 0.632 -2.300 -7.167) 7.553 11.296 ( 4.938 8.670 17.169) 19.858 12.029 ( 2.643 -21.632 10.973) 24.400 12.586 ( 4.224 1.893 -37.596) 37.880 12.665 ( 3.653 -1.288 -21.891) 22.231 15.234 ( -26.941 10.010 7.580) 29.723 15.341 ( -25.546 10.226 4.800) 27.932 15.673 ( -25.208 -4.795 10.273) 27.640 15.767 ( -42.847 -3.737 11.326) 44.476 20.799 ( 12.872 9.305 11.887) 19.838 21.058 ( 13.049 2.460 9.680) 16.432 21.460 ( 7.137 5.317 -4.864) 10.142 21.917 ( 9.468 -5.549 -5.385) 12.224 22.147 ( 4.333 -1.883 -2.341) 5.272 22.247 ( 6.211 -3.247 5.518) 8.920 22.338 ( 1.215 3.800 -4.217) 5.805 22.633 ( 12.980 -12.260 -9.083) 20.032 ======================= Grid point 147 (54/80) ======================= q-point: ( 0.33 0.33 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 3.024 12.588 1.187) 13.001 1.662 ( 6.803 7.392 -3.214) 10.548 1.864 ( 0.259 1.084 -1.094) 1.561 1.942 ( -0.241 -0.995 -7.501) 7.570 2.060 ( 6.082 2.993 7.749) 10.296 2.221 ( 7.642 -1.651 8.119) 11.271 2.378 ( -2.755 3.097 -3.515) 5.435 2.482 ( -1.547 -2.774 -2.711) 4.176 2.520 ( -0.972 -1.038 4.096) 4.336 2.632 ( 1.500 11.064 -2.674) 11.481 2.748 ( -4.361 0.613 3.048) 5.356 2.874 ( -2.458 3.236 3.568) 5.408 2.899 ( -3.858 2.926 3.295) 5.857 3.050 ( 6.491 5.458 8.310) 11.873 3.219 ( 1.943 -1.307 7.917) 8.256 3.230 ( -4.103 3.685 -3.310) 6.432 3.312 ( 1.737 -2.276 5.240) 5.971 3.479 ( 3.257 1.105 2.033) 3.995 3.592 ( 0.363 -3.231 1.454) 3.562 3.690 ( 4.174 0.911 -2.409) 4.904 3.732 ( -0.293 0.505 12.655) 12.669 4.023 ( -1.580 -8.867 2.323) 9.302 4.310 ( 1.982 -5.890 -6.964) 9.333 4.370 ( -0.093 -14.805 3.103) 15.127 4.854 ( -1.683 5.396 -8.869) 10.517 5.201 ( -1.463 -10.343 0.013) 10.446 5.362 ( -0.570 4.482 -21.080) 21.558 5.533 ( -1.918 -2.217 -11.523) 11.890 5.564 ( 1.828 1.746 -2.984) 3.911 5.655 ( -0.499 0.676 -8.860) 8.899 5.896 ( -1.822 -7.945 -2.391) 8.495 5.986 ( 0.916 -8.445 -5.647) 10.200 6.355 ( -6.387 5.570 3.925) 9.339 6.488 ( -5.390 3.311 -1.972) 6.626 6.657 ( -10.233 -4.611 -0.699) 11.245 6.683 ( -9.221 -2.918 -1.102) 9.735 7.223 ( -0.541 7.752 13.258) 15.367 7.580 ( -1.032 8.780 1.419) 8.954 7.636 ( -0.332 -4.178 12.577) 13.257 8.055 ( 1.087 -1.426 3.801) 4.202 8.243 ( 3.546 5.534 17.126) 18.344 8.338 ( 2.310 -3.600 4.502) 6.210 8.582 ( 7.720 1.852 5.448) 9.629 8.649 ( 7.578 -0.638 3.739) 8.474 8.807 ( -1.531 12.366 0.242) 12.463 9.038 ( 4.604 7.558 -1.100) 8.918 9.177 ( -0.639 1.082 -3.069) 3.316 9.310 ( 2.234 6.541 -3.025) 7.545 9.909 ( -1.859 -1.741 0.787) 2.666 10.161 ( -0.193 -7.628 -3.217) 8.281 10.195 ( -0.972 -5.162 -5.700) 7.751 10.335 ( -0.805 -12.486 -8.166) 14.941 10.810 ( -1.563 4.254 3.893) 5.975 10.883 ( -4.042 -0.650 1.293) 4.294 10.975 ( 1.782 4.701 2.564) 5.644 11.148 ( 1.099 -3.214 -8.901) 9.527 11.390 ( 4.451 8.053 16.898) 19.240 12.082 ( 2.682 -20.317 12.433) 23.969 12.665 ( 3.696 2.068 -35.524) 35.775 12.736 ( 3.437 -0.376 -20.118) 20.413 14.768 ( -19.827 9.711 9.008) 23.844 14.912 ( -18.052 4.822 3.527) 19.015 15.051 ( -30.461 1.294 14.495) 33.759 15.196 ( -22.641 -6.070 5.541) 24.087 21.043 ( 11.278 7.932 9.538) 16.765 21.281 ( 9.462 1.378 10.667) 14.325 21.564 ( 3.693 10.266 -4.375) 11.755 22.058 ( 5.867 -2.560 -4.863) 8.039 22.199 ( 1.145 -0.374 -5.564) 5.693 22.348 ( 4.127 -4.389 9.797) 11.501 22.366 ( 1.855 6.033 -3.502) 7.218 22.861 ( 9.408 -16.910 -12.727) 23.161 ======================= Grid point 148 (55/80) ======================= q-point: ( 0.44 0.33 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 0.902 8.928 -1.779) 9.149 1.746 ( 2.298 6.502 -9.190) 11.490 1.869 ( -1.500 -1.695 -0.703) 2.370 1.946 ( 2.092 -1.818 -0.443) 2.807 2.163 ( 5.151 1.529 4.251) 6.852 2.293 ( -5.352 -3.462 2.996) 7.043 2.299 ( -0.541 3.475 -0.177) 3.521 2.495 ( 2.422 6.145 -2.077) 6.924 2.558 ( 5.113 0.200 3.536) 6.220 2.643 ( 0.080 4.276 3.896) 5.786 2.744 ( 2.415 7.347 -2.639) 8.172 2.765 ( -6.173 2.693 9.497) 11.643 2.823 ( -4.728 6.980 -1.358) 8.539 3.163 ( 2.716 3.422 7.751) 8.898 3.184 ( 0.572 0.647 -1.251) 1.520 3.211 ( -1.471 -4.430 8.613) 9.797 3.379 ( 3.476 -4.183 6.006) 8.103 3.533 ( 1.968 -0.582 1.511) 2.548 3.573 ( -2.617 -5.156 2.080) 6.145 3.686 ( 0.153 1.772 0.214) 1.791 3.837 ( 5.932 0.619 4.263) 7.331 3.969 ( -3.686 -4.329 4.651) 7.346 4.333 ( 0.502 -5.751 -7.251) 9.268 4.362 ( -0.454 -14.124 4.963) 14.977 4.828 ( -0.799 5.705 -9.855) 11.415 5.176 ( -0.842 -9.903 -0.595) 9.956 5.344 ( -0.785 2.499 -22.504) 22.656 5.494 ( -1.408 -5.079 -13.253) 14.262 5.601 ( 0.860 3.334 -1.483) 3.748 5.658 ( 1.069 4.353 -6.778) 8.126 5.846 ( -2.406 -4.453 -0.524) 5.088 5.987 ( -0.393 -3.294 -6.052) 6.902 6.313 ( 0.871 -0.765 2.977) 3.194 6.440 ( -0.353 0.912 -1.997) 2.224 6.489 ( -5.983 -2.961 1.056) 6.758 6.560 ( -3.686 -1.564 -2.101) 4.522 7.215 ( -0.235 7.179 13.367) 15.174 7.564 ( -0.454 13.391 -2.948) 13.720 7.625 ( -0.525 -9.954 18.399) 20.925 8.081 ( 1.214 -5.997 3.145) 6.880 8.228 ( -1.701 10.437 15.816) 19.026 8.415 ( 2.873 -2.362 9.478) 10.182 8.696 ( 3.411 4.433 4.196) 6.992 8.750 ( 3.170 0.652 3.299) 4.621 8.788 ( -0.800 10.120 0.878) 10.189 9.123 ( 3.300 1.802 -2.368) 4.444 9.161 ( -0.847 2.097 -4.040) 4.630 9.331 ( 0.175 6.022 -5.685) 8.284 9.888 ( -0.478 -0.238 0.149) 0.555 10.155 ( -0.254 -3.005 -8.203) 8.740 10.181 ( -0.408 -7.386 -1.070) 7.474 10.331 ( 0.106 -11.698 -7.775) 14.047 10.778 ( -1.192 1.706 4.015) 4.522 10.818 ( -2.068 -1.422 4.652) 5.286 11.006 ( 0.978 5.306 4.640) 7.117 11.163 ( 0.365 -3.216 -11.036) 11.500 11.452 ( 1.754 7.670 16.194) 18.004 12.121 ( 1.216 -19.661 13.378) 23.812 12.716 ( 1.447 2.286 -34.392) 34.498 12.786 ( 1.477 0.137 -18.943) 19.001 14.526 ( -4.558 7.439 11.120) 14.134 14.610 ( -13.203 4.351 13.242) 19.199 14.698 ( -5.894 0.291 3.088) 6.660 14.870 ( -9.800 -5.005 1.867) 11.161 21.197 ( 4.246 6.205 8.402) 11.275 21.405 ( 3.354 -2.256 12.955) 13.571 21.607 ( 0.990 15.189 -5.929) 16.335 22.139 ( 2.312 -4.796 -12.727) 13.796 22.206 ( -0.055 4.048 -0.277) 4.058 22.393 ( 1.152 6.499 -1.993) 6.895 22.406 ( 1.271 -4.023 11.332) 12.092 22.980 ( 3.051 -17.248 -13.218) 21.943 ======================= Grid point 153 (56/80) ======================= q-point: ( 0.00 -0.50 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.000 -13.789 8.448) 16.171 1.322 ( 0.000 13.789 8.448) 16.171 1.851 ( 0.000 -5.738 -0.790) 5.792 1.851 ( 0.000 5.738 -0.790) 5.792 1.995 ( 0.000 -0.458 -1.806) 1.863 1.995 ( 0.000 0.458 -1.806) 1.863 2.377 ( 0.000 -3.495 -8.847) 9.512 2.377 ( 0.000 3.495 -8.847) 9.512 2.835 ( 0.000 -6.716 7.003) 9.703 2.835 ( 0.000 6.716 7.003) 9.703 2.960 ( 0.000 -5.361 0.934) 5.442 2.960 ( 0.000 5.361 0.934) 5.442 2.976 ( 0.000 -3.459 11.863) 12.357 2.976 ( 0.000 3.459 11.863) 12.357 3.229 ( 0.000 -4.914 0.825) 4.983 3.229 ( 0.000 4.914 0.825) 4.983 3.451 ( 0.000 -7.827 10.035) 12.727 3.451 ( 0.000 7.827 10.035) 12.727 3.675 ( 0.000 -10.107 3.255) 10.618 3.675 ( 0.000 10.107 3.255) 10.618 3.788 ( 0.000 -16.648 -2.996) 16.915 3.788 ( 0.000 16.648 -2.996) 16.915 4.046 ( 0.000 -2.805 -2.055) 3.477 4.046 ( 0.000 2.805 -2.055) 3.477 5.038 ( 0.000 -8.085 -2.296) 8.405 5.038 ( 0.000 8.085 -2.296) 8.405 5.518 ( 0.000 -9.141 -18.666) 20.784 5.518 ( 0.000 9.141 -18.666) 20.784 5.583 ( 0.000 -6.403 -1.647) 6.612 5.583 ( 0.000 6.403 -1.647) 6.612 5.734 ( 0.000 -7.489 -10.154) 12.617 5.734 ( 0.000 7.489 -10.154) 12.617 7.006 ( 0.000 -3.689 4.064) 5.489 7.006 ( 0.000 3.689 4.064) 5.489 7.125 ( 0.000 -7.109 -1.927) 7.365 7.125 ( 0.000 7.109 -1.927) 7.365 7.442 ( 0.000 -6.552 11.442) 13.186 7.442 ( 0.000 6.552 11.442) 13.186 7.756 ( 0.000 -2.480 2.174) 3.298 7.756 ( 0.000 2.480 2.174) 3.298 8.017 ( 0.000 -3.799 9.120) 9.880 8.017 ( 0.000 3.799 9.120) 9.880 8.281 ( 0.000 -6.893 -1.917) 7.155 8.281 ( 0.000 6.893 -1.917) 7.155 9.194 ( 0.000 -0.476 2.553) 2.597 9.194 ( 0.000 0.476 2.553) 2.597 9.216 ( 0.000 -1.832 4.598) 4.949 9.216 ( 0.000 1.832 4.598) 4.949 10.035 ( 0.000 -2.826 -3.699) 4.655 10.035 ( 0.000 2.826 -3.699) 4.655 10.162 ( 0.000 -5.883 -5.527) 8.071 10.162 ( 0.000 5.883 -5.527) 8.071 10.815 ( 0.000 -0.355 3.862) 3.878 10.815 ( 0.000 0.355 3.862) 3.878 11.134 ( 0.000 -2.203 -8.751) 9.024 11.134 ( 0.000 2.203 -8.751) 9.024 11.498 ( 0.000 -20.666 16.256) 26.293 11.498 ( 0.000 20.666 16.256) 26.293 12.532 ( 0.000 -2.378 -34.475) 34.557 12.532 ( 0.000 2.378 -34.475) 34.557 16.078 ( 0.000 -7.136 14.188) 15.881 16.078 ( 0.000 7.136 14.188) 15.881 16.553 ( 0.000 -23.269 -3.330) 23.506 16.553 ( 0.000 23.269 -3.330) 23.506 20.647 ( 0.000 -1.347 15.664) 15.722 20.647 ( 0.000 1.347 15.664) 15.722 21.275 ( 0.000 -4.593 -12.992) 13.780 21.275 ( 0.000 4.593 -12.992) 13.780 22.050 ( 0.000 -1.122 9.153) 9.222 22.050 ( 0.000 1.122 9.153) 9.222 22.363 ( 0.000 -2.563 -4.819) 5.459 22.363 ( 0.000 2.563 -4.819) 5.459 ======================= Grid point 155 (57/80) ======================= q-point: ( 0.11 -0.50 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 8.139 -11.818 7.194) 16.052 1.408 ( 8.139 11.818 7.194) 16.052 1.872 ( 2.003 -4.823 -2.095) 5.627 1.872 ( 2.003 4.823 -2.095) 5.627 1.997 ( 0.277 -4.286 0.867) 4.381 1.997 ( 0.277 4.286 0.867) 4.381 2.390 ( 1.078 -2.348 -8.358) 8.749 2.390 ( 1.078 2.348 -8.358) 8.749 2.790 ( -3.837 -4.530 7.665) 9.695 2.790 ( -3.837 4.530 7.665) 9.695 2.951 ( -2.158 -4.100 6.262) 7.789 2.951 ( -2.158 4.100 6.262) 7.789 2.998 ( 1.985 -3.776 4.669) 6.324 2.998 ( 1.985 3.776 4.669) 6.324 3.164 ( -3.589 -6.667 0.200) 7.574 3.164 ( -3.589 6.667 0.201) 7.574 3.500 ( 2.593 -3.539 9.643) 10.594 3.500 ( 2.593 3.539 9.643) 10.594 3.659 ( -0.959 -10.419 0.735) 10.489 3.659 ( -0.959 10.419 0.735) 10.489 3.769 ( -1.575 -15.893 -0.727) 15.987 3.769 ( -1.575 15.893 -0.727) 15.987 4.085 ( 3.548 -2.041 -0.752) 4.161 4.085 ( 3.548 2.041 -0.752) 4.161 5.036 ( -0.319 -8.171 -2.572) 8.572 5.036 ( -0.319 8.171 -2.572) 8.572 5.515 ( -0.514 -7.164 -19.865) 21.124 5.515 ( -0.514 7.164 -19.865) 21.124 5.597 ( 1.530 -8.074 -0.590) 8.239 5.597 ( 1.530 8.074 -0.590) 8.239 5.742 ( 0.880 -7.227 -9.688) 12.118 5.742 ( 0.880 7.227 -9.688) 12.118 6.906 ( -9.281 -4.280 3.407) 10.773 6.906 ( -9.281 4.280 3.407) 10.773 7.019 ( -10.129 -5.538 -2.714) 11.859 7.019 ( -10.129 5.538 -2.714) 11.859 7.425 ( -0.555 -7.800 14.432) 16.414 7.425 ( -0.555 7.800 14.432) 16.414 7.845 ( 5.696 -6.441 -3.131) 9.151 7.845 ( 5.696 6.441 -3.131) 9.151 8.053 ( 4.245 -3.874 12.781) 14.014 8.053 ( 4.245 3.874 12.781) 14.014 8.332 ( 5.217 -3.820 -0.515) 6.487 8.332 ( 5.217 3.820 -0.515) 6.487 9.120 ( -4.256 -6.182 4.847) 8.935 9.120 ( -4.256 6.182 4.847) 8.935 9.268 ( 2.217 -1.390 0.788) 2.733 9.268 ( 2.217 1.390 0.788) 2.733 10.015 ( -1.643 -4.516 -3.474) 5.930 10.015 ( -1.643 4.516 -3.474) 5.930 10.163 ( 0.006 -4.816 -5.664) 7.435 10.163 ( 0.006 4.816 -5.664) 7.435 10.852 ( 3.306 -1.141 2.358) 4.218 10.852 ( 3.306 1.141 2.358) 4.218 11.109 ( -2.407 -2.370 -7.578) 8.297 11.109 ( -2.407 2.370 -7.578) 8.297 11.524 ( 2.598 -20.259 16.924) 26.526 11.524 ( 2.598 20.259 16.924) 26.526 12.559 ( 2.700 -2.285 -33.624) 33.809 12.559 ( 2.700 2.285 -33.624) 33.809 15.882 ( -19.125 -6.900 12.939) 24.099 15.882 ( -19.125 6.900 12.939) 24.099 16.265 ( -27.294 -17.077 -0.093) 32.196 16.265 ( -27.294 17.077 -0.093) 32.196 20.751 ( 10.089 -5.547 15.760) 19.518 20.751 ( 10.089 5.547 15.760) 19.518 21.427 ( 13.416 -8.954 -14.362) 21.597 21.427 ( 13.416 8.954 -14.362) 21.597 22.085 ( 3.610 -1.780 8.167) 9.105 22.085 ( 3.610 1.780 8.167) 9.105 22.381 ( 1.924 -3.211 -4.523) 5.871 22.381 ( 1.924 3.211 -4.523) 5.871 ======================= Grid point 157 (58/80) ======================= q-point: ( 0.22 -0.50 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 9.265 -7.720 4.161) 12.757 1.588 ( 9.265 7.720 4.161) 12.757 1.903 ( 0.088 -3.487 -6.891) 7.723 1.903 ( 0.088 3.487 -6.891) 7.723 2.028 ( 4.146 -5.764 7.890) 10.614 2.028 ( 4.146 5.764 7.890) 10.614 2.399 ( -0.440 -2.793 -5.101) 5.832 2.399 ( -0.440 2.793 -5.101) 5.832 2.722 ( -3.009 -3.170 5.351) 6.909 2.722 ( -3.009 3.170 5.351) 6.909 2.862 ( -5.241 -5.074 4.943) 8.811 2.862 ( -5.241 5.074 4.943) 8.811 3.046 ( 2.892 -1.729 1.251) 3.595 3.046 ( 2.892 1.729 1.251) 3.595 3.152 ( 1.269 -6.650 1.632) 6.964 3.152 ( 1.269 6.650 1.632) 6.964 3.503 ( -1.751 -4.884 7.409) 9.045 3.503 ( -1.751 4.884 7.409) 9.045 3.638 ( -2.047 -11.595 -2.766) 12.095 3.638 ( -2.047 11.595 -2.766) 12.095 3.768 ( 2.218 -12.308 4.776) 13.387 3.768 ( 2.218 12.308 4.776) 13.387 4.158 ( 3.653 -0.817 1.032) 3.883 4.158 ( 3.653 0.817 1.032) 3.883 5.024 ( -0.907 -8.450 -3.268) 9.106 5.024 ( -0.907 8.450 -3.268) 9.106 5.493 ( -1.881 -5.097 -20.082) 20.804 5.493 ( -1.881 5.097 -20.082) 20.804 5.639 ( 2.615 -8.641 -0.642) 9.051 5.639 ( 2.615 8.641 -0.642) 9.051 5.764 ( 1.355 -6.172 -8.589) 10.663 5.764 ( 1.355 6.172 -8.589) 10.663 6.702 ( -11.001 -6.095 2.648) 12.852 6.702 ( -11.001 6.095 2.648) 12.852 6.794 ( -12.051 -4.880 -2.402) 13.222 6.794 ( -12.051 4.880 -2.402) 13.222 7.422 ( -0.096 -9.332 16.019) 18.539 7.422 ( -0.096 9.332 16.019) 18.539 7.897 ( 0.191 -11.631 -5.507) 12.870 7.897 ( 0.191 11.631 -5.507) 12.870 8.178 ( 7.561 -6.116 15.030) 17.902 8.178 ( 7.561 6.116 15.030) 17.902 8.467 ( 8.303 -0.928 2.236) 8.649 8.467 ( 8.303 0.928 2.236) 8.649 9.053 ( -2.470 -7.120 3.745) 8.416 9.053 ( -2.470 7.120 3.745) 8.416 9.295 ( 0.826 -5.258 -2.473) 5.869 9.295 ( 0.826 5.258 -2.473) 5.869 9.988 ( -0.959 -7.230 -3.068) 7.912 9.988 ( -0.959 7.230 -3.068) 7.912 10.161 ( -0.204 -3.438 -5.943) 6.869 10.161 ( -0.204 3.438 -5.943) 6.869 10.905 ( 0.885 -1.664 -0.310) 1.910 10.905 ( 0.885 1.664 -0.310) 1.910 11.062 ( -1.451 -3.906 -5.287) 6.731 11.062 ( -1.451 3.906 -5.287) 6.731 11.590 ( 4.030 -19.264 18.569) 27.059 11.590 ( 4.030 19.264 18.569) 27.059 12.628 ( 4.226 -2.108 -31.552) 31.903 12.628 ( 4.226 2.108 -31.552) 31.903 15.424 ( -26.346 -6.002 10.396) 28.952 15.424 ( -26.346 6.003 10.396) 28.952 15.647 ( -33.827 -5.785 4.753) 34.646 15.647 ( -33.827 5.785 4.753) 34.646 20.985 ( 12.913 -7.807 15.019) 21.290 20.985 ( 12.913 7.807 15.019) 21.290 21.685 ( 11.755 -14.038 -13.931) 23.007 21.685 ( 11.755 14.038 -13.931) 23.007 22.176 ( 5.176 -3.265 5.180) 8.018 22.176 ( 5.176 3.265 5.180) 8.018 22.443 ( 4.707 -6.652 -4.233) 9.183 22.443 ( 4.707 6.652 -4.233) 9.183 ======================= Grid point 159 (59/80) ======================= q-point: ( 0.33 -0.50 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 3.839 -5.584 0.371) 6.787 1.720 ( 3.839 5.584 0.371) 6.787 1.876 ( -1.640 -3.640 -4.641) 6.122 1.876 ( -1.640 3.640 -4.641) 6.122 2.147 ( 6.419 -4.860 5.563) 9.786 2.147 ( 6.419 4.860 5.563) 9.786 2.388 ( 0.114 -3.155 -1.881) 3.675 2.388 ( 0.114 3.155 -1.881) 3.675 2.651 ( -3.486 -7.037 6.056) 9.917 2.651 ( -3.486 7.037 6.056) 9.917 2.830 ( 1.380 -6.529 0.811) 6.722 2.830 ( 1.380 6.529 0.811) 6.722 3.072 ( -1.441 -7.339 0.130) 7.480 3.072 ( -1.441 7.339 0.130) 7.480 3.185 ( 2.399 -3.610 4.789) 6.459 3.185 ( 2.399 3.610 4.789) 6.459 3.462 ( -2.217 -8.846 4.381) 10.117 3.462 ( -2.217 8.846 4.381) 10.117 3.602 ( -0.823 -10.264 -1.708) 10.437 3.602 ( -0.823 10.264 -1.708) 10.437 3.828 ( 3.257 -8.543 5.526) 10.683 3.828 ( 3.257 8.543 5.526) 10.683 4.213 ( 1.863 -1.384 1.882) 2.988 4.213 ( 1.863 1.384 1.882) 2.988 5.002 ( -1.280 -8.742 -4.124) 9.751 5.002 ( -1.280 8.742 -4.124) 9.751 5.446 ( -2.702 -4.164 -19.315) 19.943 5.446 ( -2.702 4.164 -19.315) 19.943 5.686 ( 1.948 -5.796 -1.695) 6.345 5.686 ( 1.948 5.796 -1.695) 6.345 5.793 ( 1.650 -6.008 -7.339) 9.627 5.793 ( 1.650 6.008 -7.339) 9.627 6.511 ( -8.567 -7.338 2.329) 11.518 6.511 ( -8.567 7.338 2.329) 11.518 6.596 ( -7.826 -4.560 -1.745) 9.224 6.596 ( -7.826 4.560 -1.745) 9.224 7.415 ( -0.650 -10.174 16.589) 19.471 7.415 ( -0.650 10.174 16.589) 19.471 7.881 ( -1.307 -12.804 -4.320) 13.576 7.881 ( -1.307 12.804 -4.320) 13.576 8.305 ( 5.209 -1.469 15.582) 16.495 8.305 ( 5.209 1.469 15.582) 16.495 8.626 ( 7.703 -1.910 5.052) 9.408 8.626 ( 7.703 1.910 5.052) 9.408 9.024 ( -0.739 -7.826 0.403) 7.871 9.024 ( -0.739 7.826 0.403) 7.871 9.307 ( 0.554 -7.544 -5.479) 9.340 9.307 ( 0.554 7.544 -5.479) 9.340 9.982 ( 0.220 -9.013 -2.633) 9.392 9.982 ( 0.220 9.013 -2.633) 9.392 10.158 ( -0.037 -2.553 -6.164) 6.672 10.158 ( -0.037 2.553 -6.164) 6.672 10.864 ( -3.962 -1.398 1.003) 4.319 10.864 ( -3.962 1.398 1.003) 4.319 11.073 ( 1.613 -4.201 -6.069) 7.556 11.073 ( 1.613 4.201 -6.069) 7.556 11.667 ( 3.681 -18.241 20.127) 27.411 11.667 ( 3.681 18.241 20.127) 27.411 12.709 ( 3.854 -1.998 -29.344) 29.663 12.709 ( 3.854 1.998 -29.344) 29.663 14.949 ( -21.533 -4.489 8.347) 23.526 14.949 ( -21.533 4.489 8.347) 23.526 15.068 ( -24.807 -2.969 6.678) 25.861 15.068 ( -24.807 2.969 6.678) 25.861 21.203 ( 9.095 -6.846 13.237) 17.459 21.203 ( 9.095 6.846 13.237) 17.459 21.856 ( 6.172 -14.582 -11.417) 19.521 21.856 ( 6.172 14.582 -11.417) 19.521 22.259 ( 3.262 -4.193 3.836) 6.552 22.259 ( 3.262 4.193 3.836) 6.552 22.551 ( 5.794 -12.171 -5.350) 14.503 22.551 ( 5.794 12.171 -5.350) 14.503 ======================= Grid point 161 (60/80) ======================= q-point: ( 0.44 -0.50 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -0.746 -8.325 -1.442) 8.481 1.736 ( -0.746 8.325 -1.442) 8.481 1.876 ( 0.965 -4.480 -4.566) 6.469 1.876 ( 0.965 4.480 -4.566) 6.469 2.212 ( 0.584 -3.438 3.159) 4.705 2.212 ( 0.584 3.438 3.159) 4.705 2.408 ( 1.051 -6.613 -3.833) 7.715 2.408 ( 1.051 6.613 -3.833) 7.715 2.646 ( 2.495 -3.183 9.768) 10.572 2.646 ( 2.495 3.183 9.768) 10.572 2.845 ( -0.933 -2.965 1.267) 3.357 2.845 ( -0.933 2.965 1.267) 3.357 3.021 ( -1.943 -11.394 2.969) 11.934 3.021 ( -1.943 11.394 2.969) 11.934 3.223 ( 0.932 -2.901 1.086) 3.234 3.223 ( 0.932 2.901 1.086) 3.234 3.430 ( -0.784 -8.542 4.668) 9.766 3.430 ( -0.784 8.542 4.668) 9.766 3.606 ( 0.560 -7.815 -0.539) 7.854 3.606 ( 0.560 7.815 -0.539) 7.854 3.875 ( 1.349 -3.533 4.704) 6.035 3.875 ( 1.349 3.533 4.704) 6.035 4.232 ( 0.334 -2.114 2.078) 2.983 4.232 ( 0.334 2.114 2.078) 2.983 4.982 ( -0.669 -8.830 -4.762) 10.055 4.982 ( -0.669 8.830 -4.762) 10.055 5.403 ( -1.383 -3.512 -18.614) 18.993 5.403 ( -1.383 3.512 -18.614) 18.993 5.709 ( 0.547 -6.105 -2.395) 6.581 5.709 ( 0.547 6.105 -2.395) 6.581 5.822 ( 0.998 -9.283 -6.876) 11.595 5.822 ( 0.998 9.283 -6.876) 11.595 6.390 ( -3.462 -5.712 2.971) 7.311 6.390 ( -3.462 5.712 2.971) 7.311 6.501 ( -2.301 -3.626 -1.820) 4.664 6.501 ( -2.301 3.626 -1.820) 4.664 7.403 ( -0.409 -10.391 16.890) 19.835 7.403 ( -0.409 10.391 16.890) 19.835 7.861 ( -0.649 -13.579 -3.806) 14.118 7.861 ( -0.649 13.579 -3.806) 14.118 8.371 ( 1.718 -3.309 16.674) 17.086 8.371 ( 1.718 3.309 16.674) 17.086 8.738 ( 3.366 -1.209 7.874) 8.648 8.738 ( 3.366 1.209 7.874) 8.648 9.016 ( -0.263 -8.749 -3.407) 9.392 9.016 ( -0.263 8.749 -3.407) 9.392 9.316 ( 0.315 -7.291 -7.591) 10.530 9.316 ( 0.315 7.291 -7.591) 10.530 9.989 ( 0.301 -9.782 -2.279) 10.048 9.989 ( 0.301 9.782 -2.279) 10.048 10.160 ( 0.170 -3.142 -6.352) 7.089 10.160 ( 0.170 3.142 -6.352) 7.089 10.798 ( -2.197 -0.671 3.703) 4.358 10.798 ( -2.197 0.671 3.703) 4.358 11.097 ( 0.705 -3.459 -7.653) 8.428 11.097 ( 0.705 3.459 -7.653) 8.428 11.719 ( 1.508 -17.701 20.898) 27.428 11.719 ( 1.508 17.701 20.898) 27.428 12.763 ( 1.578 -2.021 -27.988) 28.105 12.763 ( 1.578 2.021 -27.988) 28.105 14.653 ( -8.301 -3.105 7.520) 11.623 14.653 ( -8.301 3.105 7.520) 11.623 14.739 ( -8.884 -6.576 6.468) 12.806 14.739 ( -8.884 6.576 6.468) 12.806 21.321 ( 3.092 -5.415 11.764) 13.314 21.321 ( 3.092 5.415 11.764) 13.314 21.931 ( 1.892 -14.277 -10.483) 17.813 21.931 ( 1.892 14.277 -10.483) 17.813 22.300 ( 1.093 -4.543 4.800) 6.699 22.300 ( 1.093 4.543 4.800) 6.699 22.635 ( 2.429 -14.996 -6.430) 16.496 22.635 ( 2.429 14.996 -6.430) 16.496 ======================= Grid point 189 (61/80) ======================= q-point: ( 0.00 0.00 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 0.000 0.000 -24.460) 24.460 1.268 ( 0.000 0.000 24.460) 24.460 1.338 ( 0.000 0.000 -18.556) 18.556 1.338 ( 0.000 0.000 18.556) 18.556 1.986 ( 0.000 0.000 -8.536) 8.536 1.986 ( 0.000 0.000 8.536) 8.536 2.311 ( 0.000 0.000 -0.498) 0.498 2.311 ( 0.000 0.000 0.498) 0.498 2.537 ( 0.000 0.000 -19.200) 19.200 2.537 ( 0.000 0.000 19.200) 19.200 2.786 ( 0.000 0.000 -2.257) 2.257 2.786 ( 0.000 0.000 2.257) 2.257 2.882 ( 0.000 0.000 -2.722) 2.722 2.882 ( 0.000 0.000 2.722) 2.722 3.232 ( 0.000 0.000 -13.994) 13.994 3.232 ( 0.000 0.000 13.994) 13.994 3.316 ( 0.000 0.000 -3.276) 3.276 3.316 ( 0.000 0.000 3.276) 3.276 3.884 ( 0.000 0.000 -19.869) 19.869 3.884 ( 0.000 0.000 19.869) 19.869 4.028 ( 0.000 0.000 -13.897) 13.897 4.028 ( 0.000 0.000 13.897) 13.897 4.421 ( 0.000 0.000 -19.921) 19.921 4.421 ( 0.000 0.000 19.921) 19.921 4.912 ( 0.000 0.000 -6.981) 6.981 4.912 ( 0.000 0.000 6.981) 6.981 5.481 ( 0.000 0.000 -2.550) 2.550 5.481 ( 0.000 0.000 2.550) 2.550 5.765 ( 0.000 0.000 -4.586) 4.586 5.765 ( 0.000 0.000 4.586) 4.586 6.229 ( 0.000 0.000 -3.746) 3.746 6.229 ( 0.000 0.000 3.746) 3.746 7.117 ( 0.000 0.000 -1.441) 1.441 7.117 ( 0.000 0.000 1.441) 1.441 7.179 ( 0.000 0.000 -2.525) 2.525 7.179 ( 0.000 0.000 2.525) 2.525 7.208 ( 0.000 0.000 -3.154) 3.154 7.208 ( 0.000 0.000 3.154) 3.154 7.458 ( 0.000 0.000 -1.123) 1.123 7.458 ( 0.000 0.000 1.123) 1.123 7.834 ( 0.000 0.000 -5.361) 5.361 7.834 ( 0.000 0.000 5.361) 5.361 8.622 ( 0.000 0.000 -1.428) 1.428 8.622 ( 0.000 0.000 1.428) 1.428 8.762 ( 0.000 0.000 -5.185) 5.185 8.762 ( 0.000 0.000 5.185) 5.185 8.975 ( 0.000 0.000 -0.882) 0.882 8.975 ( 0.000 0.000 0.882) 0.882 10.297 ( 0.000 0.000 -10.062) 10.062 10.297 ( 0.000 0.000 10.062) 10.062 10.524 ( 0.000 0.000 -9.525) 9.525 10.524 ( 0.000 0.000 9.525) 9.525 10.871 ( 0.000 0.000 -5.702) 5.702 10.871 ( 0.000 0.000 5.702) 5.702 10.921 ( 0.000 0.000 -2.150) 2.150 10.921 ( 0.000 0.000 2.150) 2.150 11.590 ( 0.000 0.000 -36.507) 36.507 11.590 ( 0.000 0.000 36.507) 36.507 12.613 ( 0.000 0.000 -0.405) 0.405 12.613 ( 0.000 0.000 0.405) 0.405 15.728 ( 0.000 0.000 -2.941) 2.941 15.728 ( 0.000 0.000 2.941) 2.941 16.820 ( 0.000 0.000 -30.576) 30.576 16.820 ( 0.000 0.000 30.576) 30.576 20.933 ( 0.000 0.000 -8.670) 8.670 20.933 ( 0.000 0.000 8.670) 8.670 21.190 ( 0.000 0.000 -1.627) 1.627 21.190 ( 0.000 0.000 1.627) 1.627 22.102 ( 0.000 0.000 -7.573) 7.573 22.102 ( 0.000 0.000 7.573) 7.573 22.276 ( 0.000 0.000 -9.275) 9.275 22.276 ( 0.000 0.000 9.275) 9.275 ======================= Grid point 191 (62/80) ======================= q-point: ( 0.11 0.00 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -2.957 0.000 -4.160) 5.104 1.214 ( -2.957 0.000 4.160) 5.104 1.432 ( 7.375 0.000 -0.839) 7.422 1.432 ( 7.375 0.000 0.839) 7.422 1.983 ( 0.044 0.000 -9.504) 9.504 1.983 ( 0.044 0.000 9.504) 9.504 2.335 ( 1.937 0.000 -1.300) 2.333 2.335 ( 1.937 0.000 1.300) 2.333 2.543 ( 0.302 0.000 -14.156) 14.160 2.543 ( 0.302 0.000 14.156) 14.160 2.796 ( 1.095 0.000 -5.491) 5.599 2.796 ( 1.095 0.000 5.491) 5.599 2.942 ( 5.691 0.000 -2.296) 6.137 2.942 ( 5.691 0.000 2.297) 6.137 3.175 ( -3.004 0.000 -8.329) 8.854 3.175 ( -3.004 0.000 8.329) 8.854 3.368 ( 2.737 0.000 -0.230) 2.747 3.368 ( 2.737 0.000 0.230) 2.747 3.815 ( -5.550 0.000 -9.329) 10.855 3.815 ( -5.550 0.000 9.329) 10.855 4.078 ( 3.757 0.000 -4.499) 5.862 4.078 ( 3.757 0.000 4.499) 5.862 4.405 ( -1.757 0.000 -20.174) 20.250 4.405 ( -1.757 0.000 20.174) 20.250 4.930 ( 1.758 0.000 -7.604) 7.804 4.930 ( 1.758 0.000 7.604) 7.804 5.481 ( 0.002 0.000 -2.441) 2.441 5.481 ( 0.002 0.000 2.441) 2.441 5.756 ( -0.810 0.000 -4.875) 4.942 5.756 ( -0.810 0.000 4.875) 4.942 6.204 ( -2.902 0.000 -2.867) 4.079 6.204 ( -2.902 0.000 2.867) 4.079 6.905 ( -14.859 0.000 -2.899) 15.139 6.905 ( -14.859 0.000 2.899) 15.139 7.098 ( -11.172 0.000 -0.099) 11.172 7.098 ( -11.172 0.000 0.099) 11.172 7.207 ( 0.958 0.000 -2.815) 2.974 7.207 ( 0.958 0.000 2.815) 2.974 7.549 ( 8.399 0.000 -0.821) 8.439 7.549 ( 8.399 0.000 0.821) 8.439 8.007 ( 14.038 0.000 -5.121) 14.943 8.007 ( 14.038 0.000 5.121) 14.943 8.630 ( -1.282 0.000 -4.737) 4.907 8.630 ( -1.282 0.000 4.737) 4.907 8.732 ( -0.546 0.000 -6.783) 6.805 8.732 ( -0.546 0.000 6.783) 6.805 8.985 ( 0.856 0.000 -2.118) 2.285 8.985 ( 0.856 0.000 2.118) 2.285 10.271 ( -2.651 0.000 -10.050) 10.394 10.271 ( -2.651 0.000 10.050) 10.394 10.546 ( 1.949 0.000 -7.926) 8.162 10.546 ( 1.949 0.000 7.926) 8.162 10.835 ( -2.248 0.000 -5.968) 6.377 10.835 ( -2.248 0.000 5.968) 6.377 10.952 ( 2.009 0.000 -3.931) 4.415 10.952 ( 2.009 0.000 3.931) 4.415 11.621 ( 3.129 0.000 -36.997) 37.129 11.621 ( 3.129 0.000 36.997) 37.129 12.613 ( 0.064 0.000 -0.709) 0.712 12.613 ( 0.064 0.000 0.709) 0.712 15.512 ( -20.211 0.000 -1.719) 20.284 15.512 ( -20.211 0.000 1.719) 20.284 16.568 ( -25.194 0.000 -20.236) 32.314 16.568 ( -25.194 0.000 20.236) 32.314 20.687 ( -7.090 0.000 -6.561) 9.660 20.687 ( -7.090 0.000 6.561) 9.660 21.579 ( 19.763 0.000 -16.176) 25.539 21.579 ( 19.763 0.000 16.176) 25.539 22.118 ( 1.352 0.000 -5.759) 5.916 22.118 ( 1.352 0.000 5.759) 5.916 22.363 ( 9.926 0.000 -10.341) 14.334 22.363 ( 9.926 0.000 10.341) 14.334 ======================= Grid point 193 (63/80) ======================= q-point: ( 0.22 0.00 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 1.597 0.000 -5.603) 5.826 1.196 ( 1.597 0.000 5.603) 5.826 1.592 ( 8.684 0.000 -2.425) 9.016 1.592 ( 8.684 0.000 2.425) 9.016 1.991 ( 0.649 0.000 -5.089) 5.131 1.991 ( 0.649 0.000 5.089) 5.131 2.374 ( 2.126 0.000 -1.670) 2.703 2.374 ( 2.126 0.000 1.670) 2.703 2.545 ( 0.272 0.000 -5.069) 5.076 2.545 ( 0.272 0.000 5.069) 5.076 2.803 ( -1.908 0.000 -4.486) 4.875 2.803 ( -1.908 0.000 4.486) 4.875 3.072 ( 7.896 0.000 -6.201) 10.040 3.072 ( 7.896 0.000 6.201) 10.040 3.167 ( 1.677 0.000 -11.386) 11.508 3.167 ( 1.677 0.000 11.386) 11.508 3.384 ( -0.587 0.000 -5.238) 5.271 3.384 ( -0.587 0.000 5.238) 5.271 3.720 ( -3.315 0.000 -0.571) 3.364 3.720 ( -3.315 0.000 0.571) 3.364 4.141 ( 2.408 0.000 -0.946) 2.587 4.141 ( 2.408 0.000 0.946) 2.587 4.354 ( -3.445 0.000 -20.381) 20.670 4.354 ( -3.445 0.000 20.381) 20.670 4.970 ( 2.112 0.000 -9.201) 9.440 4.970 ( 2.112 0.000 9.201) 9.440 5.482 ( 0.223 0.000 -2.061) 2.073 5.482 ( 0.223 0.000 2.061) 2.073 5.736 ( -1.256 0.000 -5.713) 5.850 5.736 ( -1.256 0.000 5.713) 5.850 6.103 ( -7.850 0.000 -1.264) 7.951 6.103 ( -7.850 0.000 1.264) 7.951 6.643 ( -11.232 0.000 -2.771) 11.568 6.643 ( -11.232 0.000 2.771) 11.568 6.852 ( -12.871 0.000 -0.025) 12.871 6.852 ( -12.871 0.000 0.025) 12.871 7.239 ( 1.920 0.000 -3.587) 4.068 7.239 ( 1.920 0.000 3.587) 4.068 7.711 ( 8.149 0.000 -3.027) 8.693 7.711 ( 8.149 0.000 3.027) 8.693 8.279 ( 13.284 0.000 -6.351) 14.724 8.279 ( 13.284 0.000 6.351) 14.724 8.531 ( -7.260 0.000 -3.952) 8.266 8.531 ( -7.260 0.000 3.952) 8.266 8.795 ( 5.234 0.000 -4.739) 7.061 8.795 ( 5.234 0.000 4.739) 7.061 9.008 ( 1.782 0.000 -5.554) 5.833 9.008 ( 1.782 0.000 5.554) 5.833 10.200 ( -4.457 0.000 -10.103) 11.043 10.200 ( -4.457 0.000 10.103) 11.043 10.574 ( 0.448 0.000 -4.555) 4.577 10.574 ( 0.448 0.000 4.555) 4.577 10.813 ( 0.301 0.000 -9.643) 9.648 10.813 ( 0.301 0.000 9.643) 9.648 10.984 ( 1.215 0.000 -5.531) 5.663 10.984 ( 1.215 0.000 5.531) 5.663 11.700 ( 4.708 0.000 -37.893) 38.184 11.700 ( 4.708 0.000 37.893) 38.184 12.619 ( 0.628 0.000 -1.503) 1.629 12.619 ( 0.628 0.000 1.503) 1.629 15.071 ( -22.999 0.000 -1.764) 23.067 15.071 ( -22.999 0.000 1.764) 23.067 15.950 ( -36.068 0.000 -2.893) 36.184 15.950 ( -36.068 0.000 2.893) 36.184 20.730 ( 9.297 0.000 -7.403) 11.884 20.730 ( 9.297 0.000 7.403) 11.884 21.803 ( 5.215 0.000 -18.279) 19.008 21.803 ( 5.215 0.000 18.279) 19.008 22.141 ( 0.973 0.000 -4.156) 4.268 22.141 ( 0.973 0.000 4.156) 4.268 22.625 ( 14.734 0.000 -17.094) 22.568 22.625 ( 14.734 0.000 17.094) 22.568 ======================= Grid point 195 (64/80) ======================= q-point: ( 0.33 0.00 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 5.389 0.000 -8.057) 9.694 1.270 ( 5.389 0.000 8.057) 9.694 1.726 ( 3.988 0.000 -0.982) 4.107 1.726 ( 3.988 0.000 0.982) 4.107 2.031 ( 5.150 0.000 -1.565) 5.383 2.031 ( 5.150 0.000 1.565) 5.383 2.412 ( 1.243 0.000 -4.505) 4.674 2.412 ( 1.243 0.000 4.505) 4.674 2.560 ( 0.991 0.000 -2.129) 2.348 2.560 ( 0.991 0.000 2.129) 2.348 2.711 ( -6.786 0.000 -0.656) 6.817 2.711 ( -6.786 0.000 0.656) 6.817 3.141 ( -4.817 0.000 -8.025) 9.360 3.141 ( -4.817 0.000 8.025) 9.360 3.243 ( 8.759 0.000 -9.387) 12.838 3.243 ( 8.759 0.000 9.387) 12.838 3.424 ( 5.398 0.000 -3.243) 6.298 3.424 ( 5.398 0.000 3.243) 6.298 3.698 ( 0.591 0.000 -5.639) 5.670 3.698 ( 0.591 0.000 5.639) 5.670 4.161 ( -0.224 0.000 -2.468) 2.478 4.161 ( -0.224 0.000 2.468) 2.478 4.277 ( -4.425 0.000 -18.999) 19.508 4.277 ( -4.425 0.000 18.999) 19.508 5.001 ( 0.935 0.000 -10.866) 10.906 5.001 ( 0.935 0.000 10.866) 10.906 5.494 ( 1.192 0.000 -1.469) 1.892 5.494 ( 1.192 0.000 1.469) 1.892 5.705 ( -2.261 0.000 -6.326) 6.718 5.705 ( -2.261 0.000 6.326) 6.718 5.923 ( -9.475 0.000 -0.499) 9.489 5.923 ( -9.475 0.000 0.499) 9.489 6.494 ( -4.551 0.000 -1.637) 4.837 6.494 ( -4.551 0.000 1.637) 4.837 6.633 ( -9.546 0.000 -0.069) 9.547 6.633 ( -9.546 0.000 0.069) 9.547 7.272 ( 1.402 0.000 -3.856) 4.103 7.272 ( 1.402 0.000 3.856) 4.103 7.860 ( 7.303 0.000 -6.906) 10.051 7.860 ( 7.303 0.000 6.906) 10.051 8.389 ( -7.145 0.000 -3.450) 7.934 8.389 ( -7.145 0.000 3.450) 7.934 8.490 ( 8.361 0.000 -8.121) 11.656 8.490 ( 8.361 0.000 8.121) 11.656 8.890 ( 4.271 0.000 -5.597) 7.041 8.890 ( 4.271 0.000 5.597) 7.041 9.058 ( 3.190 0.000 -5.346) 6.225 9.058 ( 3.190 0.000 5.346) 6.225 10.111 ( -4.437 0.000 -9.835) 10.789 10.111 ( -4.437 0.000 9.835) 10.789 10.564 ( -1.130 0.000 -1.177) 1.632 10.564 ( -1.130 0.000 1.177) 1.632 10.840 ( 1.980 0.000 -14.364) 14.499 10.840 ( 1.980 0.000 14.364) 14.499 10.999 ( 0.362 0.000 -6.475) 6.485 10.999 ( 0.362 0.000 6.475) 6.485 11.787 ( 4.064 0.000 -38.550) 38.764 11.787 ( 4.064 0.000 38.550) 38.764 12.638 ( 1.335 0.000 -2.327) 2.683 12.638 ( 1.335 0.000 2.327) 2.683 14.710 ( -13.276 0.000 -5.310) 14.299 14.710 ( -13.276 0.000 5.310) 14.299 15.289 ( -30.991 0.000 -7.184) 31.812 15.289 ( -30.991 0.000 7.184) 31.812 20.950 ( 11.647 0.000 -5.261) 12.780 20.950 ( 11.647 0.000 5.261) 12.780 21.847 ( 0.381 0.000 -18.794) 18.798 21.847 ( 0.381 0.000 18.794) 18.798 22.154 ( 0.408 0.000 -4.865) 4.882 22.154 ( 0.408 0.000 4.865) 4.882 22.857 ( 8.911 0.000 -20.693) 22.531 22.857 ( 8.911 0.000 20.693) 22.531 ======================= Grid point 197 (65/80) ======================= q-point: ( 0.44 0.00 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 3.121 0.000 -4.996) 5.890 1.362 ( 3.121 0.000 4.996) 5.890 1.746 ( -0.414 0.000 -4.474) 4.493 1.746 ( -0.414 0.000 4.474) 4.493 2.198 ( 10.795 0.000 -0.811) 10.825 2.198 ( 10.795 0.000 0.811) 10.825 2.380 ( -5.969 0.000 -3.459) 6.899 2.380 ( -5.969 0.000 3.459) 6.899 2.568 ( -0.079 0.000 -4.479) 4.480 2.568 ( -0.079 0.000 4.479) 4.480 2.594 ( -3.694 0.000 -0.062) 3.694 2.594 ( -3.694 0.000 0.062) 3.694 3.060 ( -2.303 0.000 -6.943) 7.315 3.060 ( -2.303 0.000 6.943) 7.315 3.360 ( 2.988 0.000 -4.911) 5.749 3.360 ( 2.988 0.000 4.911) 5.749 3.534 ( 4.304 0.000 -2.518) 4.987 3.534 ( 4.304 0.000 2.518) 4.987 3.719 ( 0.966 0.000 -8.255) 8.311 3.719 ( 0.966 0.000 8.255) 8.311 4.151 ( -0.062 0.000 -6.168) 6.169 4.151 ( -0.062 0.000 6.168) 6.168 4.197 ( -3.369 0.000 -19.814) 20.099 4.197 ( -3.369 0.000 19.814) 20.099 5.008 ( -0.003 0.000 -11.637) 11.637 5.008 ( -0.003 0.000 11.637) 11.637 5.536 ( 3.266 0.000 -0.775) 3.357 5.536 ( 3.266 0.000 0.775) 3.357 5.631 ( -5.175 0.000 -2.993) 5.978 5.631 ( -5.175 0.000 2.993) 5.978 5.804 ( -2.508 0.000 -2.847) 3.794 5.804 ( -2.508 0.000 2.847) 3.794 6.453 ( 0.029 0.000 -0.532) 0.532 6.453 ( 0.029 0.000 0.532) 0.532 6.496 ( -4.663 0.000 -0.025) 4.663 6.496 ( -4.663 0.000 0.025) 4.663 7.290 ( 0.469 0.000 -4.038) 4.065 7.290 ( 0.469 0.000 4.038) 4.065 7.981 ( 4.481 0.000 -12.528) 13.305 7.981 ( 4.481 0.000 12.528) 13.305 8.271 ( -4.350 0.000 -6.580) 7.888 8.271 ( -4.350 0.000 6.580) 7.888 8.595 ( 2.619 0.000 -10.142) 10.475 8.595 ( 2.619 0.000 10.142) 10.475 8.950 ( 1.779 0.000 -7.239) 7.455 8.950 ( 1.779 0.000 7.239) 7.455 9.110 ( 1.637 0.000 -3.818) 4.155 9.110 ( 1.637 0.000 3.818) 4.155 10.047 ( -1.910 0.000 -9.322) 9.516 10.047 ( -1.910 0.000 9.322) 9.516 10.545 ( -0.573 0.000 -0.785) 0.972 10.545 ( -0.573 0.000 0.785) 0.972 10.872 ( 1.031 0.000 -17.785) 17.814 10.872 ( 1.031 0.000 17.785) 17.814 11.000 ( -0.112 0.000 -6.688) 6.689 11.000 ( -0.112 0.000 6.688) 6.689 11.844 ( 1.594 0.000 -38.885) 38.918 11.844 ( 1.594 0.000 38.885) 38.918 12.662 ( 0.819 0.000 -2.672) 2.794 12.662 ( 0.819 0.000 2.672) 2.794 14.591 ( 0.756 0.000 -6.987) 7.028 14.591 ( 0.756 0.000 6.987) 7.028 14.817 ( -16.887 0.000 -11.275) 20.305 14.817 ( -16.887 0.000 11.275) 20.305 21.120 ( 5.048 0.000 -4.424) 6.713 21.120 ( 5.048 0.000 4.424) 6.713 21.842 ( -0.443 0.000 -20.114) 20.119 21.842 ( -0.443 0.000 20.114) 20.119 22.158 ( 0.079 0.000 -5.683) 5.683 22.158 ( 0.079 0.000 5.683) 5.683 22.967 ( 2.735 0.000 -21.333) 21.508 22.967 ( 2.735 0.000 21.333) 21.508 ======================= Grid point 207 (66/80) ======================= q-point: ( 0.00 0.17 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 3.599 -23.464) 23.738 1.305 ( 0.000 3.599 23.464) 23.738 1.514 ( 0.000 13.624 -13.757) 19.362 1.514 ( 0.000 13.624 13.757) 19.362 1.970 ( 0.000 -1.013 -9.802) 9.854 1.970 ( 0.000 -1.013 9.802) 9.854 2.299 ( 0.000 -1.162 -3.871) 4.042 2.299 ( 0.000 -1.162 3.871) 4.042 2.639 ( 0.000 8.821 -19.574) 21.470 2.639 ( 0.000 8.821 19.574) 21.470 2.829 ( 0.000 3.779 -1.498) 4.065 2.829 ( 0.000 3.779 1.498) 4.065 2.940 ( 0.000 5.644 -3.298) 6.536 2.940 ( 0.000 5.644 3.298) 6.536 3.212 ( 0.000 -1.725 -12.742) 12.858 3.212 ( 0.000 -1.725 12.742) 12.858 3.310 ( 0.000 -0.085 -4.516) 4.517 3.310 ( 0.000 -0.085 4.516) 4.517 3.857 ( 0.000 -2.268 -19.878) 20.007 3.857 ( 0.000 -2.268 19.878) 20.007 4.012 ( 0.000 -1.930 -11.807) 11.963 4.012 ( 0.000 -1.930 11.807) 11.963 4.361 ( 0.000 -6.680 -18.730) 19.886 4.361 ( 0.000 -6.680 18.730) 19.886 4.905 ( 0.000 0.506 -9.720) 9.733 4.905 ( 0.000 0.506 9.720) 9.733 5.478 ( 0.000 -0.047 -2.211) 2.211 5.478 ( 0.000 -0.047 2.211) 2.211 5.615 ( 0.000 -11.723 -7.068) 13.689 5.615 ( 0.000 -11.723 7.068) 13.689 6.130 ( 0.000 -10.907 -2.326) 11.153 6.130 ( 0.000 -10.907 2.326) 11.153 6.943 ( 0.000 -4.014 -0.670) 4.070 6.943 ( 0.000 -4.014 0.670) 4.070 7.192 ( 0.000 -1.428 -3.885) 4.139 7.192 ( 0.000 -1.428 3.885) 4.139 7.281 ( 0.000 7.991 -5.211) 9.540 7.281 ( 0.000 7.991 5.211) 9.540 7.804 ( 0.000 20.299 -2.841) 20.497 7.804 ( 0.000 20.299 2.841) 20.497 7.817 ( 0.000 -1.590 -4.544) 4.814 7.817 ( 0.000 -1.590 4.544) 4.814 8.482 ( 0.000 -8.618 -5.416) 10.178 8.482 ( 0.000 -8.618 5.416) 10.178 8.922 ( 0.000 10.374 -8.196) 13.221 8.922 ( 0.000 10.374 8.196) 13.221 8.991 ( 0.000 2.525 -2.023) 3.235 8.991 ( 0.000 2.525 2.023) 3.235 10.224 ( 0.000 -6.558 -8.815) 10.987 10.224 ( 0.000 -6.558 8.815) 10.987 10.456 ( 0.000 -6.788 -8.872) 11.171 10.456 ( 0.000 -6.788 8.872) 11.171 10.880 ( 0.000 1.168 -7.888) 7.974 10.880 ( 0.000 1.168 7.888) 7.974 10.931 ( 0.000 0.824 -5.441) 5.503 10.931 ( 0.000 0.824 5.441) 5.503 11.618 ( 0.000 2.884 -36.376) 36.490 11.618 ( 0.000 2.885 36.376) 36.490 12.485 ( 0.000 -11.337 -5.115) 12.437 12.485 ( 0.000 -11.337 5.115) 12.437 15.820 ( 0.000 8.695 -0.926) 8.744 15.820 ( 0.000 8.695 0.926) 8.744 16.781 ( 0.000 -4.168 -28.065) 28.373 16.781 ( 0.000 -4.168 28.065) 28.373 20.934 ( 0.000 0.132 -9.752) 9.753 20.934 ( 0.000 0.132 9.752) 9.753 21.140 ( 0.000 -4.263 -12.078) 12.808 21.140 ( 0.000 -4.263 12.078) 12.808 22.131 ( 0.000 2.466 -7.421) 7.820 22.131 ( 0.000 2.466 7.421) 7.820 22.272 ( 0.000 -0.372 -9.151) 9.158 22.272 ( 0.000 -0.372 9.151) 9.158 ======================= Grid point 209 (67/80) ======================= q-point: ( 0.11 0.17 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.171 6.675 -13.965) 15.479 1.308 ( 0.171 6.675 13.965) 15.479 1.554 ( 4.232 11.009 -7.609) 14.036 1.554 ( 4.232 11.009 7.609) 14.036 1.986 ( 2.122 0.207 -10.209) 10.429 1.986 ( 2.122 0.207 10.209) 10.429 2.325 ( 2.185 -0.962 -4.093) 4.738 2.325 ( 2.185 -0.962 4.093) 4.738 2.622 ( -2.265 7.343 -13.304) 15.364 2.622 ( -2.265 7.343 13.304) 15.364 2.838 ( 1.145 3.772 -4.714) 6.146 2.838 ( 1.145 3.772 4.714) 6.146 2.970 ( 3.111 2.358 -4.565) 6.006 2.970 ( 3.111 2.358 4.565) 6.006 3.186 ( -1.251 1.751 -7.464) 7.768 3.186 ( -1.251 1.751 7.464) 7.768 3.340 ( 1.830 -2.433 -2.768) 4.115 3.340 ( 1.830 -2.433 2.768) 4.115 3.790 ( -5.289 -1.973 -10.073) 11.547 3.790 ( -5.289 -1.973 10.073) 11.547 4.061 ( 3.582 -2.034 -4.037) 5.767 4.061 ( 3.582 -2.034 4.037) 5.767 4.355 ( -0.692 -5.649 -19.089) 19.920 4.355 ( -0.692 -5.649 19.089) 19.920 4.917 ( 1.120 -0.095 -10.516) 10.576 4.917 ( 1.120 -0.095 10.516) 10.576 5.476 ( -0.205 -0.254 -2.096) 2.121 5.476 ( -0.205 -0.254 2.096) 2.121 5.611 ( -0.425 -11.263 -7.187) 13.368 5.611 ( -0.425 -11.263 7.187) 13.368 6.125 ( -0.757 -9.545 -1.753) 9.734 6.125 ( -0.757 -9.545 1.753) 9.734 6.800 ( -12.309 -2.710 -2.023) 12.765 6.800 ( -12.309 -2.710 2.023) 12.765 7.115 ( -8.359 -0.687 -2.373) 8.716 7.115 ( -8.359 -0.687 2.373) 8.716 7.278 ( -0.699 7.456 -6.164) 9.699 7.278 ( -0.699 7.456 6.164) 9.699 7.748 ( 3.179 10.589 -3.636) 11.639 7.748 ( 3.179 10.589 3.636) 11.639 8.048 ( 13.380 4.971 -6.875) 15.843 8.048 ( 13.380 4.971 6.875) 15.843 8.508 ( 2.297 -7.332 -3.616) 8.491 8.508 ( 2.297 -7.332 3.616) 8.491 8.834 ( -5.665 6.334 -4.947) 9.832 8.834 ( -5.665 6.334 4.947) 9.832 9.047 ( 3.168 6.050 -1.618) 7.019 9.047 ( 3.168 6.050 1.618) 7.019 10.206 ( -1.892 -5.947 -8.776) 10.769 10.206 ( -1.892 -5.947 8.776) 10.769 10.459 ( 0.059 -8.135 -8.033) 11.433 10.459 ( 0.059 -8.135 8.033) 11.433 10.853 ( -1.340 1.789 -7.142) 7.484 10.853 ( -1.340 1.789 7.142) 7.484 10.962 ( 1.861 0.666 -5.629) 5.966 10.962 ( 1.861 0.666 5.629) 5.966 11.652 ( 3.371 3.083 -36.619) 36.903 11.652 ( 3.371 3.083 36.619) 36.903 12.495 ( 1.040 -10.535 -5.301) 11.840 12.495 ( 1.040 -10.535 5.301) 11.840 15.603 ( -20.477 8.525 -0.340) 22.183 15.603 ( -20.477 8.525 0.340) 22.183 16.533 ( -24.717 -3.857 -18.805) 31.295 16.533 ( -24.717 -3.857 18.805) 31.295 20.742 ( -4.216 5.204 -7.221) 9.849 20.742 ( -4.216 5.204 7.221) 9.849 21.503 ( 19.837 -6.969 -15.141) 25.910 21.503 ( 19.837 -6.969 15.141) 25.910 22.142 ( 0.995 2.188 -6.347) 6.787 22.142 ( 0.995 2.188 6.347) 6.787 22.346 ( 8.163 -1.542 -9.575) 12.676 22.346 ( 8.163 -1.542 9.575) 12.676 ======================= Grid point 211 (68/80) ======================= q-point: ( 0.22 0.17 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 1.428 9.863 -3.728) 10.640 1.319 ( 1.428 9.863 3.728) 10.640 1.669 ( 7.296 6.473 -1.400) 9.853 1.669 ( 7.296 6.473 1.400) 9.853 2.047 ( 3.379 4.735 -7.202) 9.258 2.047 ( 3.379 4.735 7.202) 9.258 2.363 ( 1.613 -0.893 -2.065) 2.768 2.363 ( 1.613 -0.893 2.065) 2.768 2.566 ( -2.288 2.169 -4.289) 5.323 2.566 ( -2.288 2.169 4.289) 5.323 2.840 ( -2.778 3.703 -4.067) 6.162 2.840 ( -2.778 3.703 4.067) 6.162 3.056 ( 6.329 -1.576 -10.597) 12.444 3.056 ( 6.329 -1.576 10.597) 12.444 3.191 ( 0.756 2.064 -8.769) 9.040 3.191 ( 0.756 2.064 8.769) 9.040 3.362 ( 1.207 -1.644 -6.011) 6.347 3.362 ( 1.207 -1.644 6.011) 6.347 3.701 ( -3.191 -1.346 -2.517) 4.281 3.701 ( -3.191 -1.346 2.517) 4.281 4.119 ( 2.126 -2.443 -7.292) 7.979 4.119 ( 2.126 -2.443 7.292) 7.979 4.332 ( -1.774 -3.050 -19.436) 19.753 4.332 ( -1.774 -3.050 19.436) 19.753 4.941 ( 1.111 -1.654 -12.415) 12.574 4.941 ( 1.111 -1.654 12.415) 12.574 5.470 ( -0.396 -1.170 -1.920) 2.283 5.470 ( -0.396 -1.170 1.920) 2.283 5.599 ( -0.750 -9.871 -7.238) 12.263 5.599 ( -0.750 -9.871 7.238) 12.263 6.088 ( -3.570 -4.797 -0.910) 6.049 6.088 ( -3.570 -4.797 0.910) 6.049 6.560 ( -10.939 -2.694 -2.956) 11.648 6.560 ( -10.939 -2.694 2.956) 11.648 6.901 ( -12.414 1.186 -1.099) 12.519 6.901 ( -12.414 1.186 1.099) 12.519 7.276 ( 0.396 5.711 -6.261) 8.483 7.276 ( 0.396 5.711 6.261) 8.483 7.858 ( 6.818 8.948 -5.184) 12.387 7.858 ( 6.818 8.948 5.184) 12.387 8.279 ( 9.624 0.011 -11.033) 14.640 8.279 ( 9.624 0.011 11.033) 14.640 8.531 ( -0.840 0.453 -4.977) 5.068 8.531 ( -0.840 0.453 4.977) 5.068 8.779 ( 1.460 1.070 -0.794) 1.976 8.779 ( 1.460 1.070 0.794) 1.976 9.097 ( 2.240 6.737 -3.253) 7.810 9.097 ( 2.240 6.737 3.253) 7.810 10.152 ( -3.680 -4.572 -9.012) 10.755 10.152 ( -3.680 -4.572 9.012) 10.755 10.451 ( -0.858 -10.239 -6.073) 11.936 10.451 ( -0.858 -10.239 6.073) 11.936 10.850 ( 0.954 2.464 -6.901) 7.390 10.850 ( 0.954 2.464 6.901) 7.390 10.987 ( 0.775 0.247 -6.323) 6.375 10.987 ( 0.775 0.247 6.323) 6.375 11.736 ( 4.983 3.497 -37.013) 37.511 11.736 ( 4.983 3.497 37.013) 37.511 12.524 ( 1.916 -8.663 -5.870) 10.638 12.524 ( 1.916 -8.663 5.870) 10.638 15.150 ( -24.015 7.418 -2.353) 25.245 15.150 ( -24.015 7.418 2.353) 25.245 15.928 ( -35.295 -2.584 -3.305) 35.544 15.928 ( -35.295 -2.584 3.305) 35.544 20.817 ( 9.873 8.142 -8.176) 15.186 20.817 ( 9.873 8.142 8.176) 15.186 21.756 ( 7.096 -4.808 -18.649) 20.525 21.756 ( 7.096 -4.808 18.649) 20.525 22.162 ( 1.003 2.079 -5.262) 5.746 22.162 ( 1.003 2.079 5.262) 5.746 22.566 ( 12.985 -5.208 -14.513) 20.158 22.566 ( 12.985 -5.208 14.513) 20.158 ======================= Grid point 213 (69/80) ======================= q-point: ( 0.33 0.17 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 3.375 8.408 -6.965) 11.428 1.368 ( 3.375 8.408 6.965) 11.428 1.802 ( 5.443 4.961 -2.159) 7.675 1.802 ( 5.443 4.961 2.159) 7.675 2.099 ( 3.167 7.170 -3.812) 8.716 2.099 ( 3.167 7.170 3.812) 8.716 2.398 ( 1.681 -0.957 -5.717) 6.035 2.398 ( 1.681 -0.957 5.717) 6.035 2.548 ( -0.232 -1.433 -2.378) 2.786 2.548 ( -0.232 -1.433 2.378) 2.786 2.740 ( -6.159 3.299 -2.757) 7.512 2.740 ( -6.159 3.299 2.757) 7.512 3.111 ( -3.746 -2.644 -8.907) 10.018 3.111 ( -3.746 -2.644 8.907) 10.018 3.238 ( 6.646 -0.487 -8.576) 10.860 3.238 ( 6.646 -0.487 8.576) 10.860 3.429 ( 5.353 0.598 -5.811) 7.923 3.429 ( 5.353 0.598 5.811) 7.923 3.677 ( 0.396 -1.540 -3.580) 3.917 3.677 ( 0.396 -1.540 3.580) 3.917 4.138 ( -0.020 -2.472 -13.133) 13.364 4.138 ( -0.020 -2.472 13.133) 13.364 4.288 ( -2.696 0.040 -19.639) 19.823 4.288 ( -2.696 0.040 19.639) 19.823 4.952 ( -0.014 -3.482 -14.129) 14.551 4.952 ( -0.014 -3.482 14.129) 14.551 5.462 ( -0.419 -3.843 -2.647) 4.685 5.462 ( -0.419 -3.843 2.647) 4.685 5.581 ( -1.195 -6.827 -5.646) 8.939 5.581 ( -1.195 -6.827 5.646) 8.939 5.984 ( -6.463 1.686 -0.747) 6.721 5.984 ( -6.463 1.686 0.747) 6.721 6.426 ( -2.981 -3.904 -2.711) 5.611 6.426 ( -2.981 -3.904 2.711) 5.611 6.678 ( -10.274 1.650 -0.268) 10.410 6.678 ( -10.274 1.650 0.268) 10.410 7.285 ( 0.399 3.850 -5.510) 6.734 7.285 ( 0.399 3.850 5.510) 6.734 7.988 ( 6.631 6.806 -4.281) 10.422 7.988 ( 6.631 6.806 4.281) 10.422 8.342 ( -3.392 -0.851 -6.314) 7.218 8.342 ( -3.392 -0.851 6.314) 7.218 8.553 ( 4.443 4.502 -9.229) 11.188 8.553 ( 4.443 4.502 9.229) 11.188 8.866 ( 5.858 -0.637 -5.593) 8.124 8.866 ( 5.858 -0.637 5.593) 8.124 9.134 ( 1.488 5.453 -3.609) 6.707 9.134 ( 1.488 5.453 3.609) 6.707 10.074 ( -3.986 -3.366 -9.041) 10.439 10.074 ( -3.986 -3.366 9.041) 10.439 10.434 ( -0.734 -10.484 -4.118) 11.287 10.434 ( -0.734 -10.484 4.118) 11.287 10.878 ( 1.718 2.116 -9.490) 9.874 10.878 ( 1.718 2.116 9.490) 9.874 10.992 ( -0.281 -0.539 -7.105) 7.131 10.992 ( -0.281 -0.539 7.105) 7.131 11.828 ( 4.294 3.920 -37.305) 37.755 11.828 ( 4.294 3.920 37.305) 37.755 12.565 ( 2.191 -6.891 -6.594) 9.786 12.565 ( 2.191 -6.891 6.594) 9.786 14.764 ( -14.730 5.136 -5.272) 16.466 14.764 ( -14.730 5.136 5.272) 16.466 15.281 ( -30.343 -1.180 -6.031) 30.959 15.281 ( -30.343 -1.180 6.031) 30.959 21.037 ( 11.316 8.137 -6.619) 15.430 21.037 ( 11.316 8.137 6.619) 15.430 21.825 ( 1.162 -2.424 -19.147) 19.335 21.825 ( 1.162 -2.424 19.147) 19.335 22.180 ( 0.802 2.593 -5.220) 5.884 22.180 ( 0.802 2.593 5.220) 5.884 22.781 ( 8.676 -6.954 -18.270) 21.388 22.781 ( 8.676 -6.954 18.270) 21.388 ======================= Grid point 215 (70/80) ======================= q-point: ( 0.44 0.17 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 1.900 5.818 -5.521) 8.242 1.425 ( 1.900 5.818 5.521) 8.242 1.852 ( 0.531 6.998 -4.173) 8.166 1.852 ( 0.531 6.998 4.173) 8.166 2.213 ( 8.136 2.114 -2.469) 8.761 2.213 ( 8.136 2.114 2.469) 8.761 2.367 ( -5.820 0.007 -2.805) 6.461 2.367 ( -5.820 0.007 2.805) 6.461 2.554 ( 1.282 -0.792 -3.984) 4.260 2.554 ( 1.282 -0.792 3.984) 4.260 2.649 ( -3.070 4.729 -2.820) 6.304 2.649 ( -3.070 4.729 2.820) 6.304 3.039 ( -2.242 -1.901 -9.192) 9.651 3.039 ( -2.242 -1.901 9.192) 9.651 3.335 ( 2.493 -2.423 -4.598) 5.764 3.335 ( 2.493 -2.423 4.598) 5.764 3.526 ( 3.565 -0.587 -4.469) 5.747 3.526 ( 3.565 -0.587 4.469) 5.747 3.695 ( 0.814 -1.887 -3.554) 4.106 3.695 ( 0.814 -1.887 3.554) 4.106 4.132 ( -0.174 -1.981 -15.951) 16.075 4.132 ( -0.174 -1.981 15.951) 16.075 4.238 ( -1.925 2.616 -22.946) 23.175 4.238 ( -1.925 2.616 22.946) 23.175 4.945 ( -0.392 -4.685 -14.844) 15.571 4.945 ( -0.392 -4.685 14.844) 15.571 5.455 ( -0.255 -8.570 -5.069) 9.960 5.455 ( -0.255 -8.570 5.069) 9.960 5.558 ( -0.850 -1.374 -0.999) 1.900 5.558 ( -0.850 -1.374 0.999) 1.900 5.889 ( -2.669 4.053 -2.449) 5.436 5.889 ( -2.669 4.053 2.449) 5.436 6.421 ( 1.724 -3.019 -1.658) 3.852 6.421 ( 1.724 -3.019 1.658) 3.852 6.520 ( -5.807 1.246 -0.968) 6.018 6.520 ( -5.807 1.246 0.968) 6.018 7.290 ( 0.127 2.746 -4.971) 5.680 7.290 ( 0.127 2.746 4.971) 5.680 8.112 ( 6.348 2.532 -2.218) 7.185 8.112 ( 6.348 2.532 2.218) 7.185 8.239 ( -6.120 4.810 -2.257) 8.104 8.239 ( -6.120 4.810 2.257) 8.104 8.628 ( 2.338 2.764 -10.510) 11.116 8.628 ( 2.338 2.764 10.510) 11.116 8.958 ( 2.878 0.879 -7.985) 8.533 8.958 ( 2.878 0.879 7.985) 8.533 9.151 ( 0.371 3.237 -3.088) 4.489 9.151 ( 0.371 3.237 3.088) 4.489 10.016 ( -1.745 -2.663 -8.647) 9.214 10.016 ( -1.745 -2.663 8.647) 9.214 10.425 ( -0.210 -9.828 -3.342) 10.383 10.425 ( -0.210 -9.828 3.342) 10.383 10.908 ( 1.097 1.976 -13.338) 13.528 10.908 ( 1.097 1.976 13.338) 13.528 10.980 ( -0.669 -1.632 -6.908) 7.130 10.980 ( -0.669 -1.632 6.908) 7.130 11.888 ( 1.695 4.213 -37.505) 37.779 11.888 ( 1.695 4.213 37.505) 37.779 12.599 ( 1.067 -6.008 -7.056) 9.328 12.599 ( 1.067 -6.008 7.056) 9.328 14.619 ( -0.379 2.643 -6.578) 7.099 14.619 ( -0.379 2.643 6.578) 7.099 14.822 ( -16.163 0.240 -10.096) 19.058 14.822 ( -16.163 0.240 10.096) 19.058 21.201 ( 4.827 7.477 -6.049) 10.760 21.201 ( 4.827 7.477 6.049) 10.760 21.828 ( -0.293 -1.530 -20.052) 20.112 21.828 ( -0.293 -1.530 20.052) 20.112 22.191 ( 0.334 3.247 -5.310) 6.233 22.191 ( 0.334 3.247 5.310) 6.233 22.890 ( 2.792 -7.108 -19.307) 20.762 22.890 ( 2.792 -7.108 19.307) 20.762 ======================= Grid point 225 (71/80) ======================= q-point: ( 0.00 0.33 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.000 6.816 -20.427) 21.534 1.414 ( 0.000 6.816 20.427) 21.534 1.687 ( 0.000 -0.561 -7.196) 7.218 1.687 ( 0.000 -0.561 7.196) 7.218 2.021 ( 0.000 7.510 -11.303) 13.570 2.021 ( 0.000 7.510 11.303) 13.570 2.262 ( 0.000 -2.582 -7.469) 7.902 2.262 ( 0.000 -2.582 7.469) 7.902 2.834 ( 0.000 8.261 -11.013) 13.767 2.834 ( 0.000 8.261 11.013) 13.767 2.914 ( 0.000 3.627 -2.089) 4.186 2.914 ( 0.000 3.627 2.089) 4.186 3.093 ( 0.000 7.102 -1.238) 7.209 3.093 ( 0.000 7.102 1.238) 7.209 3.175 ( 0.000 -1.451 -10.215) 10.318 3.175 ( 0.000 -1.451 10.215) 10.318 3.368 ( 0.000 8.427 -6.849) 10.859 3.368 ( 0.000 8.427 6.849) 10.859 3.815 ( 0.000 -0.918 -18.016) 18.040 3.815 ( 0.000 -0.918 18.016) 18.040 3.936 ( 0.000 -5.422 -7.612) 9.346 3.936 ( 0.000 -5.422 7.612) 9.346 4.117 ( 0.000 -16.622 -15.936) 23.027 4.117 ( 0.000 -16.622 15.936) 23.027 4.981 ( 0.000 6.927 -13.258) 14.958 4.981 ( 0.000 6.927 13.258) 14.958 5.372 ( 0.000 -10.997 -10.643) 15.304 5.372 ( 0.000 -10.997 10.643) 15.304 5.497 ( 0.000 2.434 -2.563) 3.535 5.497 ( 0.000 2.434 2.563) 3.535 5.844 ( 0.000 -14.345 -2.045) 14.490 5.844 ( 0.000 -14.345 2.045) 14.490 6.970 ( 0.000 4.446 -1.657) 4.745 6.970 ( 0.000 4.446 1.657) 4.745 7.149 ( 0.000 -2.867 -4.395) 5.248 7.149 ( 0.000 -2.867 4.395) 5.248 7.481 ( 0.000 10.377 -8.396) 13.348 7.481 ( 0.000 10.377 8.396) 13.348 7.769 ( 0.000 -3.191 -6.797) 7.509 7.769 ( 0.000 -3.191 6.797) 7.509 8.097 ( 0.000 7.599 -3.764) 8.480 8.097 ( 0.000 7.599 3.764) 8.480 8.312 ( 0.000 -7.466 -7.530) 10.604 8.312 ( 0.000 -7.466 7.530) 10.604 9.121 ( 0.000 9.463 -1.079) 9.525 9.121 ( 0.000 9.463 1.079) 9.525 9.133 ( 0.000 9.412 -6.272) 11.310 9.133 ( 0.000 9.412 6.272) 11.310 10.069 ( 0.000 -6.752 -6.103) 9.102 10.069 ( 0.000 -6.752 6.103) 9.102 10.253 ( 0.000 -11.961 -7.301) 14.013 10.253 ( 0.000 -11.961 7.301) 14.013 10.917 ( 0.000 1.972 -8.178) 8.413 10.917 ( 0.000 1.972 8.178) 8.413 10.947 ( 0.000 0.550 -8.258) 8.276 10.947 ( 0.000 0.550 8.258) 8.276 11.720 ( 0.000 7.324 -33.513) 34.304 11.720 ( 0.000 7.324 33.513) 34.304 12.205 ( 0.000 -14.591 -14.285) 20.419 12.205 ( 0.000 -14.591 14.285) 20.419 16.063 ( 0.000 14.174 -5.149) 15.080 16.063 ( 0.000 14.174 5.149) 15.080 16.633 ( 0.000 -10.305 -21.514) 23.855 16.633 ( 0.000 -10.305 21.514) 23.855 20.943 ( 0.000 0.857 -12.618) 12.647 20.943 ( 0.000 0.857 12.618) 12.647 21.046 ( 0.000 -4.294 -17.001) 17.535 21.046 ( 0.000 -4.294 17.001) 17.535 22.186 ( 0.000 2.582 -7.481) 7.914 22.186 ( 0.000 2.582 7.481) 7.914 22.259 ( 0.000 -0.950 -8.731) 8.783 22.259 ( 0.000 -0.950 8.731) 8.783 ======================= Grid point 227 (72/80) ======================= q-point: ( 0.11 0.33 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 3.785 7.722 -15.536) 17.757 1.454 ( 3.785 7.722 15.536) 17.757 1.721 ( 2.873 0.753 -6.034) 6.725 1.721 ( 2.873 0.753 6.034) 6.725 2.036 ( 2.431 6.514 -12.378) 14.197 2.036 ( 2.431 6.514 12.378) 14.197 2.289 ( 2.358 -2.912 -6.838) 7.797 2.289 ( 2.358 -2.912 6.838) 7.797 2.806 ( -5.205 8.784 -7.969) 12.953 2.806 ( -5.205 8.784 7.969) 12.953 2.914 ( 1.392 2.374 -3.383) 4.361 2.914 ( 1.392 2.374 3.383) 4.361 3.027 ( -2.445 3.460 -4.846) 6.436 3.027 ( -2.445 3.460 4.846) 6.436 3.238 ( 1.539 -2.163 -4.704) 5.401 3.238 ( 1.539 -2.163 4.704) 5.401 3.344 ( -0.531 9.461 -5.596) 11.005 3.344 ( -0.531 9.461 5.596) 11.005 3.758 ( -4.324 -0.808 -8.594) 9.655 3.758 ( -4.324 -0.808 8.594) 9.655 3.986 ( 3.487 -4.984 -3.218) 6.881 3.986 ( 3.487 -4.984 3.218) 6.881 4.141 ( 2.185 -14.591 -15.713) 21.554 4.141 ( 2.185 -14.591 15.713) 21.554 4.980 ( -0.159 6.452 -13.855) 15.284 4.980 ( -0.159 6.452 13.855) 15.284 5.366 ( -0.708 -10.751 -10.335) 14.930 5.366 ( -0.708 -10.751 10.335) 14.930 5.504 ( 0.759 2.565 -2.775) 3.855 5.504 ( 0.759 2.565 2.775) 3.855 5.857 ( 1.289 -13.882 -1.766) 14.053 5.857 ( 1.289 -13.882 1.766) 14.053 6.843 ( -11.293 5.148 -2.088) 12.586 6.843 ( -11.293 5.148 2.088) 12.586 7.065 ( -8.404 -3.850 -2.860) 9.676 7.065 ( -8.404 -3.850 2.860) 9.676 7.480 ( -0.358 10.977 -9.544) 14.550 7.480 ( -0.358 10.977 9.544) 14.550 7.816 ( 4.496 -2.515 -8.811) 10.207 7.816 ( 4.496 -2.515 8.811) 10.207 8.174 ( 6.653 4.833 -7.666) 11.242 8.174 ( 6.653 4.833 7.666) 11.242 8.370 ( 5.820 -6.035 -4.704) 9.614 8.370 ( 5.820 -6.035 4.704) 9.614 9.024 ( -5.693 12.092 -4.889) 14.231 9.024 ( -5.693 12.092 4.889) 14.231 9.195 ( 2.379 6.641 -0.454) 7.069 9.195 ( 2.379 6.641 0.454) 7.069 10.062 ( -0.789 -6.431 -6.224) 8.984 10.062 ( -0.789 -6.431 6.224) 8.984 10.239 ( -1.415 -12.171 -6.661) 13.946 10.239 ( -1.415 -12.171 6.661) 13.946 10.903 ( -0.534 2.766 -6.595) 7.171 10.903 ( -0.534 2.766 6.595) 7.171 10.970 ( 1.356 -0.095 -6.531) 6.671 10.970 ( 1.356 -0.095 6.531) 6.671 11.757 ( 3.638 7.337 -33.443) 34.431 11.757 ( 3.638 7.337 33.443) 34.431 12.230 ( 2.575 -13.991 -14.484) 20.302 12.230 ( 2.575 -13.991 14.484) 20.302 15.841 ( -21.233 13.827 -4.021) 25.655 15.841 ( -21.233 13.827 4.021) 25.655 16.393 ( -23.592 -9.882 -14.807) 29.555 16.393 ( -23.592 -9.882 14.807) 29.555 20.891 ( 2.931 8.890 -8.454) 12.613 20.891 ( 2.931 8.890 8.454) 12.613 21.318 ( 17.457 -10.414 -12.742) 23.991 21.318 ( 17.457 -10.414 12.742) 23.991 22.197 ( 1.089 2.868 -6.948) 7.595 22.197 ( 1.089 2.868 6.948) 7.595 22.306 ( 4.945 -2.255 -8.346) 9.959 22.306 ( 4.945 -2.255 8.346) 9.959 ======================= Grid point 229 (73/80) ======================= q-point: ( 0.22 0.33 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 3.394 10.032 -5.759) 12.055 1.531 ( 3.394 10.032 5.759) 12.055 1.778 ( 3.226 1.920 -1.326) 3.981 1.778 ( 3.226 1.920 1.326) 3.981 2.137 ( 7.461 3.761 -11.500) 14.215 2.137 ( 7.461 3.761 11.500) 14.215 2.330 ( 1.413 -3.072 -6.818) 7.610 2.330 ( 1.413 -3.072 6.818) 7.610 2.666 ( -6.985 7.853 -3.425) 11.054 2.666 ( -6.985 7.853 3.425) 11.054 2.921 ( -3.800 0.838 -3.764) 5.414 2.921 ( -3.800 0.838 3.764) 5.414 3.029 ( 3.590 1.583 -7.863) 8.787 3.029 ( 3.590 1.583 7.863) 8.787 3.212 ( -1.842 -1.673 -6.083) 6.572 3.212 ( -1.842 -1.673 6.083) 6.572 3.387 ( 3.576 6.510 -5.316) 9.134 3.387 ( 3.576 6.510 5.316) 9.134 3.682 ( -3.178 -0.773 -2.589) 4.171 3.682 ( -3.178 -0.773 2.589) 4.171 4.042 ( 2.264 -4.368 -11.326) 12.349 4.042 ( 2.264 -4.368 11.326) 12.349 4.185 ( 2.113 -10.783 -15.252) 18.798 4.185 ( 2.113 -10.783 15.252) 18.798 4.971 ( -0.883 5.296 -15.221) 16.140 4.971 ( -0.883 5.296 15.221) 16.140 5.342 ( -1.748 -10.253 -9.664) 14.198 5.342 ( -1.748 -10.253 9.664) 14.198 5.526 ( 1.492 2.953 -2.703) 4.272 5.526 ( 1.492 2.953 2.703) 4.272 5.886 ( 1.397 -12.432 -1.448) 12.594 5.886 ( 1.397 -12.432 1.448) 12.594 6.607 ( -11.871 5.875 -2.661) 13.510 6.607 ( -11.871 5.875 2.661) 13.510 6.865 ( -11.395 -4.174 -1.515) 12.230 6.865 ( -11.395 -4.174 1.515) 12.230 7.469 ( -0.719 11.636 -9.826) 15.246 7.469 ( -0.719 11.636 9.826) 15.246 7.901 ( 3.551 -5.300 -11.705) 13.331 7.901 ( 3.551 -5.300 11.705) 13.331 8.316 ( 7.672 3.976 -9.682) 12.977 8.316 ( 7.672 3.976 9.682) 12.977 8.509 ( 7.529 -3.328 -3.920) 9.117 8.509 ( 7.529 -3.328 3.920) 9.117 8.934 ( -2.899 13.079 -6.003) 14.680 8.934 ( -2.899 13.079 6.003) 14.680 9.222 ( 0.588 3.903 -3.493) 5.270 9.222 ( 0.588 3.903 3.493) 5.270 10.038 ( -1.750 -5.134 -7.023) 8.874 10.038 ( -1.750 -5.134 7.023) 8.874 10.209 ( -1.314 -12.032 -5.344) 13.231 10.209 ( -1.314 -12.032 5.344) 13.231 10.902 ( 0.277 2.668 -4.334) 5.097 10.902 ( 0.277 2.668 4.334) 5.097 10.985 ( 0.179 -0.681 -6.034) 6.075 10.985 ( 0.179 -0.681 6.034) 6.075 11.847 ( 5.409 7.478 -33.245) 34.502 11.847 ( 5.409 7.478 33.245) 34.502 12.296 ( 4.051 -12.512 -15.021) 19.965 12.296 ( 4.051 -12.512 15.021) 19.965 15.357 ( -26.518 12.032 -3.370) 29.314 15.357 ( -26.518 12.032 3.370) 29.314 15.824 ( -32.965 -7.823 -3.903) 34.104 15.824 ( -32.965 -7.823 3.903) 34.104 21.045 ( 11.296 13.308 -10.423) 20.331 21.045 ( 11.296 13.308 10.423) 20.331 21.597 ( 10.689 -10.601 -17.436) 23.036 21.597 ( 10.689 -10.601 17.436) 23.036 22.226 ( 1.861 3.972 -6.336) 7.706 22.226 ( 1.861 3.972 6.336) 7.706 22.441 ( 8.561 -6.271 -9.982) 14.569 22.441 ( 8.561 -6.271 9.982) 14.569 ======================= Grid point 231 (74/80) ======================= q-point: ( 0.33 0.33 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 1.041 10.458 -4.533) 11.445 1.571 ( 1.041 10.458 4.533) 11.445 1.849 ( 3.571 -0.770 -1.082) 3.810 1.849 ( 3.571 -0.770 1.082) 3.810 2.240 ( 1.455 3.192 -8.733) 9.411 2.240 ( 1.455 3.192 8.733) 9.411 2.369 ( 3.663 -3.317 -6.516) 8.178 2.369 ( 3.663 -3.317 6.516) 8.178 2.585 ( -1.140 8.267 -2.412) 8.686 2.585 ( -1.140 8.267 2.412) 8.686 2.824 ( -4.366 2.758 -4.163) 6.633 2.824 ( -4.366 2.758 4.163) 6.633 3.065 ( -1.872 -0.014 -9.567) 9.748 3.065 ( -1.872 -0.014 9.567) 9.748 3.216 ( 2.600 -1.957 -6.090) 6.905 3.216 ( 2.601 -1.957 6.090) 6.905 3.460 ( 3.899 2.988 -5.648) 7.485 3.460 ( 3.899 2.988 5.648) 7.485 3.646 ( -0.506 -1.841 -3.483) 3.972 3.646 ( -0.506 -1.841 3.483) 3.972 4.073 ( 1.029 -2.986 -15.491) 15.809 4.073 ( 1.029 -2.986 15.491) 15.809 4.212 ( 0.626 -7.622 -15.438) 17.229 4.212 ( 0.626 -7.622 15.438) 17.229 4.945 ( -1.645 4.195 -16.388) 16.996 4.945 ( -1.645 4.195 16.388) 16.996 5.300 ( -2.475 -9.838 -9.036) 13.586 5.300 ( -2.475 -9.838 9.036) 13.586 5.558 ( 1.760 3.463 -1.373) 4.120 5.558 ( 1.760 3.463 1.373) 4.120 5.898 ( -0.339 -9.262 -2.551) 9.612 5.898 ( -0.339 -9.262 2.551) 9.612 6.430 ( -5.894 4.529 -3.416) 8.180 6.430 ( -5.894 4.529 3.416) 8.180 6.659 ( -9.480 -3.317 -0.911) 10.085 6.659 ( -9.480 -3.317 0.911) 10.085 7.454 ( -0.819 11.390 -9.183) 14.654 7.454 ( -0.819 11.390 9.183) 14.654 7.945 ( 1.169 -9.159 -12.164) 15.271 7.945 ( 1.169 -9.159 12.164) 15.271 8.447 ( 5.377 7.920 -2.575) 9.913 8.447 ( 5.377 7.920 2.575) 9.913 8.625 ( 4.448 0.857 -5.325) 6.991 8.625 ( 4.448 0.857 5.325) 6.991 8.934 ( 2.741 8.437 -8.614) 12.365 8.934 ( 2.741 8.437 8.614) 12.365 9.219 ( -0.888 1.399 -5.907) 6.135 9.219 ( -0.888 1.399 5.907) 6.135 9.999 ( -2.081 -2.809 -7.770) 8.520 9.999 ( -2.081 -2.809 7.770) 8.520 10.197 ( 0.022 -11.344 -4.111) 12.066 10.197 ( 0.022 -11.344 4.111) 12.066 10.910 ( 0.490 1.335 -5.580) 5.758 10.910 ( 0.490 1.335 5.580) 5.758 10.976 ( -1.065 -1.154 -7.280) 7.447 10.976 ( -1.065 -1.154 7.280) 7.447 11.948 ( 4.707 7.744 -33.203) 34.418 11.948 ( 4.707 7.744 33.203) 34.418 12.374 ( 3.722 -10.991 -15.749) 19.562 12.374 ( 3.722 -10.991 15.749) 19.562 14.909 ( -18.516 8.446 -3.991) 20.739 14.909 ( -18.516 8.446 3.991) 20.739 15.223 ( -27.803 -4.729 -2.962) 28.358 15.223 ( -27.803 -4.729 2.962) 28.358 21.261 ( 10.103 12.828 -10.446) 19.384 21.261 ( 10.103 12.828 10.446) 19.384 21.730 ( 3.781 -7.182 -18.584) 20.279 21.730 ( 3.781 -7.182 18.584) 20.279 22.264 ( 2.018 5.612 -5.865) 8.364 22.264 ( 2.018 5.612 5.865) 8.364 22.600 ( 7.211 -9.751 -12.912) 17.714 22.600 ( 7.211 -9.751 12.912) 17.714 ======================= Grid point 233 (75/80) ======================= q-point: ( 0.44 0.33 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.270 8.856 -5.433) 10.393 1.582 ( 0.270 8.856 5.433) 10.393 1.891 ( 0.864 -3.327 -3.027) 4.580 1.891 ( 0.864 -3.327 3.027) 4.580 2.255 ( 1.036 1.432 -3.817) 4.206 2.255 ( 1.036 1.432 3.817) 4.206 2.385 ( -1.680 -1.834 -5.889) 6.393 2.385 ( -1.680 -1.834 5.889) 6.393 2.638 ( 5.213 10.781 -3.206) 12.397 2.638 ( 5.213 10.781 3.206) 12.397 2.762 ( -3.031 5.639 -4.033) 7.566 2.762 ( -3.031 5.639 4.033) 7.566 3.006 ( -2.438 -0.057 -11.334) 11.594 3.006 ( -2.438 -0.057 11.334) 11.594 3.259 ( 1.084 -5.083 -3.787) 6.430 3.259 ( 1.084 -5.083 3.787) 6.430 3.524 ( 2.202 0.804 -4.619) 5.180 3.524 ( 2.202 0.804 4.619) 5.180 3.651 ( 0.415 -2.716 -3.994) 4.848 3.651 ( 0.415 -2.716 3.994) 4.848 4.086 ( 0.365 -1.841 -15.583) 15.695 4.086 ( 0.365 -1.841 15.583) 15.695 4.214 ( -0.202 -5.698 -16.685) 17.632 4.214 ( -0.202 -5.698 16.685) 17.632 4.917 ( -0.966 3.703 -16.913) 17.340 4.917 ( -0.966 3.703 16.913) 17.340 5.260 ( -1.302 -9.573 -8.613) 12.944 5.260 ( -1.302 -9.573 8.613) 12.944 5.586 ( 0.851 3.881 -1.127) 4.130 5.586 ( 0.851 3.881 1.127) 4.130 5.882 ( -0.824 -5.552 -3.799) 6.777 5.882 ( -0.824 -5.552 3.799) 6.777 6.381 ( -0.109 0.999 -3.449) 3.593 6.381 ( -0.109 0.999 3.449) 3.593 6.519 ( -4.590 -1.737 -1.889) 5.259 6.519 ( -4.590 -1.737 1.889) 5.259 7.442 ( -0.377 10.998 -8.670) 14.009 7.442 ( -0.377 10.998 8.670) 14.009 7.955 ( 0.145 -11.465 -12.683) 17.097 7.955 ( 0.145 -11.465 12.683) 17.097 8.510 ( 1.363 13.344 -11.372) 17.585 8.510 ( 1.363 13.344 11.372) 17.585 8.687 ( 1.935 2.344 -10.284) 10.724 8.687 ( 1.935 2.344 10.284) 10.724 8.998 ( 2.664 3.614 -10.390) 11.318 8.998 ( 2.664 3.614 10.390) 11.318 9.195 ( -1.192 -0.301 -6.940) 7.048 9.195 ( -1.192 -0.301 6.940) 7.048 9.969 ( -0.877 -0.802 -7.644) 7.736 9.969 ( -0.877 -0.802 7.644) 7.736 10.202 ( 0.300 -10.724 -3.759) 11.367 10.202 ( 0.300 -10.724 3.759) 11.367 10.924 ( 1.026 -0.152 -8.270) 8.335 10.924 ( 1.026 -0.152 8.270) 8.335 10.949 ( -1.543 -1.188 -8.492) 8.712 10.949 ( -1.543 -1.188 8.492) 8.712 12.014 ( 1.870 7.943 -33.389) 34.372 12.014 ( 1.870 7.943 33.389) 34.372 12.427 ( 1.543 -10.153 -16.363) 19.318 12.427 ( 1.543 -10.153 16.363) 19.318 14.691 ( -3.791 4.047 -4.020) 6.850 14.691 ( -3.791 4.047 4.020) 6.850 14.815 ( -13.456 -1.142 -6.452) 14.966 14.815 ( -13.456 -1.142 6.452) 14.966 21.401 ( 3.979 11.114 -10.750) 15.966 21.401 ( 3.979 11.114 10.750) 15.966 21.766 ( 0.579 -4.831 -19.309) 19.913 21.766 ( 0.579 -4.831 19.309) 19.913 22.295 ( 0.933 6.846 -5.659) 8.931 22.295 ( 0.933 6.846 5.659) 8.931 22.697 ( 2.623 -10.938 -14.445) 18.308 22.697 ( 2.623 -10.938 14.445) 18.308 ======================= Grid point 243 (76/80) ======================= q-point: ( 0.00 -0.50 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.000 -7.952 -15.332) 17.271 1.573 ( 0.000 7.952 -15.332) 17.271 1.573 ( 0.000 -7.952 15.332) 17.271 1.573 ( 0.000 7.952 15.332) 17.271 2.178 ( 0.000 -5.982 -10.391) 11.989 2.178 ( 0.000 5.982 -10.391) 11.989 2.178 ( 0.000 -5.982 10.391) 11.989 2.178 ( 0.000 5.982 10.391) 11.989 2.938 ( 0.000 -1.840 -3.090) 3.596 2.938 ( 0.000 1.840 -3.090) 3.596 2.938 ( 0.000 -1.840 3.090) 3.596 2.938 ( 0.000 1.840 3.090) 3.596 3.160 ( 0.000 -0.560 -6.363) 6.388 3.160 ( 0.000 0.560 -6.363) 6.388 3.160 ( 0.000 -0.560 6.363) 6.388 3.160 ( 0.000 0.560 6.363) 6.388 3.693 ( 0.000 -19.778 -5.988) 20.665 3.693 ( 0.000 -19.778 5.988) 20.665 3.693 ( 0.000 19.778 -5.988) 20.665 3.693 ( 0.000 19.778 5.988) 20.665 3.851 ( 0.000 -4.798 -14.120) 14.913 3.851 ( 0.000 4.798 -14.120) 14.913 3.851 ( 0.000 -4.798 14.120) 14.913 3.851 ( 0.000 4.798 14.120) 14.913 5.161 ( 0.000 -9.760 -13.639) 16.771 5.161 ( 0.000 9.760 -13.639) 16.771 5.161 ( 0.000 -9.760 13.639) 16.771 5.161 ( 0.000 9.760 13.639) 16.771 5.603 ( 0.000 -8.401 -3.046) 8.936 5.603 ( 0.000 -8.401 3.046) 8.936 5.603 ( 0.000 8.401 -3.046) 8.936 5.603 ( 0.000 8.401 3.046) 8.936 7.071 ( 0.000 -4.685 -2.884) 5.501 7.071 ( 0.000 -4.685 2.884) 5.501 7.071 ( 0.000 4.685 -2.884) 5.501 7.071 ( 0.000 4.685 2.884) 5.501 7.668 ( 0.000 -7.065 -9.116) 11.533 7.668 ( 0.000 7.065 -9.116) 11.533 7.668 ( 0.000 -7.065 9.116) 11.533 7.668 ( 0.000 7.065 9.116) 11.533 8.193 ( 0.000 -4.069 -6.983) 8.082 8.193 ( 0.000 4.069 -6.983) 8.082 8.193 ( 0.000 -4.069 6.983) 8.082 8.193 ( 0.000 4.069 6.983) 8.082 9.252 ( 0.000 -0.031 -2.309) 2.309 9.252 ( 0.000 0.031 -2.309) 2.309 9.252 ( 0.000 -0.031 2.309) 2.309 9.252 ( 0.000 0.031 2.309) 2.309 10.041 ( 0.000 -5.779 -4.571) 7.368 10.041 ( 0.000 5.779 -4.571) 7.368 10.041 ( 0.000 -5.779 4.571) 7.368 10.041 ( 0.000 5.779 4.571) 7.368 10.947 ( 0.000 -0.747 -8.570) 8.603 10.947 ( 0.000 0.747 -8.570) 8.603 10.947 ( 0.000 -0.747 8.570) 8.603 10.947 ( 0.000 0.747 8.570) 8.603 11.923 ( 0.000 -12.156 -25.308) 28.076 11.923 ( 0.000 12.156 -25.308) 28.076 11.923 ( 0.000 -12.156 25.308) 28.076 11.923 ( 0.000 12.156 25.308) 28.076 16.369 ( 0.000 -14.626 -13.147) 19.666 16.369 ( 0.000 14.626 -13.147) 19.666 16.369 ( 0.000 -14.626 13.147) 19.666 16.369 ( 0.000 14.626 13.147) 19.666 20.976 ( 0.000 -2.438 -15.939) 16.125 20.976 ( 0.000 2.438 -15.939) 16.125 20.976 ( 0.000 -2.438 15.939) 16.125 20.976 ( 0.000 2.438 15.939) 16.125 22.231 ( 0.000 -1.769 -8.051) 8.243 22.231 ( 0.000 1.769 -8.051) 8.243 22.231 ( 0.000 -1.769 8.051) 8.243 22.231 ( 0.000 1.769 8.051) 8.243 ======================= Grid point 247 (77/80) ======================= q-point: ( 0.11 -0.50 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 4.547 -7.376 -13.061) 15.674 1.621 ( 4.547 5.621 -12.667) 14.585 1.621 ( 4.547 -5.621 12.667) 14.585 1.621 ( 4.547 7.376 13.061) 15.674 2.192 ( 1.449 -6.344 -10.442) 12.304 2.192 ( 1.449 4.968 -10.105) 11.353 2.192 ( 1.449 -4.968 10.105) 11.353 2.192 ( 1.449 6.344 10.442) 12.304 2.918 ( -2.695 -2.083 -4.567) 5.697 2.918 ( -2.695 2.081 -4.566) 5.696 2.918 ( -2.695 -2.081 4.566) 5.696 2.918 ( -2.695 2.083 4.567) 5.697 3.134 ( -1.650 -6.015 -3.751) 7.278 3.134 ( -1.650 -2.462 -0.826) 3.077 3.134 ( -1.650 2.462 0.826) 3.077 3.134 ( -1.650 6.015 3.751) 7.278 3.650 ( -3.191 -14.636 -2.723) 15.226 3.650 ( -3.191 -14.507 2.395) 15.046 3.650 ( -3.191 14.507 -2.395) 15.046 3.650 ( -3.191 14.636 2.723) 15.226 3.913 ( 4.956 -2.149 -13.742) 14.766 3.913 ( 4.956 2.094 -13.739) 14.755 3.913 ( 4.956 -2.094 13.739) 14.755 3.913 ( 4.956 2.149 13.742) 14.766 5.155 ( -0.665 -9.707 -13.610) 16.730 5.155 ( -0.665 9.598 -13.576) 16.639 5.155 ( -0.665 -9.598 13.576) 16.639 5.155 ( -0.665 9.707 13.610) 16.730 5.617 ( 1.441 -8.633 -2.834) 9.200 5.617 ( 1.441 -8.252 2.274) 8.680 5.617 ( 1.441 8.252 -2.274) 8.680 5.617 ( 1.441 8.633 2.834) 9.200 6.963 ( -9.912 -5.643 -2.450) 11.666 6.963 ( -9.912 -4.376 0.596) 10.851 6.963 ( -9.912 4.376 -0.596) 10.851 6.963 ( -9.912 5.643 2.450) 11.666 7.692 ( 1.732 -8.854 -11.027) 14.247 7.692 ( 1.732 8.828 -11.017) 14.224 7.692 ( 1.732 -8.828 11.017) 14.224 7.692 ( 1.732 8.854 11.027) 14.247 8.260 ( 6.532 -4.299 -6.993) 10.490 8.260 ( 6.532 3.345 -6.757) 9.975 8.260 ( 6.532 -3.345 6.757) 9.975 8.260 ( 6.532 4.299 6.993) 10.490 9.231 ( -1.949 -4.759 -4.836) 7.060 9.231 ( -1.949 2.018 -3.890) 4.796 9.231 ( -1.949 -2.018 3.890) 4.796 9.231 ( -1.949 4.759 4.836) 7.060 10.033 ( -0.767 -5.010 -5.086) 7.180 10.033 ( -0.767 1.542 -3.971) 4.328 10.033 ( -0.767 -1.542 3.971) 4.328 10.033 ( -0.767 5.010 5.086) 7.180 10.952 ( 0.400 -1.531 -6.977) 7.154 10.952 ( 0.400 1.401 -6.965) 7.116 10.952 ( 0.400 -1.401 6.965) 7.116 10.952 ( 0.400 1.531 6.977) 7.154 11.957 ( 3.418 -11.877 -25.413) 28.259 11.957 ( 3.418 11.812 -25.399) 28.219 11.957 ( 3.418 -11.812 25.399) 28.219 11.957 ( 3.418 11.877 25.413) 28.259 16.138 ( -22.336 -13.622 -10.595) 28.226 16.138 ( -22.336 -0.130 -5.457) 22.994 16.138 ( -22.336 0.130 5.457) 22.994 16.138 ( -22.336 13.622 10.595) 28.226 21.096 ( 11.179 -8.352 -16.757) 21.806 21.096 ( 11.179 2.320 -15.881) 19.559 21.096 ( 11.179 -2.320 15.881) 19.559 21.096 ( 11.179 8.352 16.757) 21.806 22.255 ( 2.440 -2.644 -7.693) 8.493 22.255 ( 2.440 2.574 -7.683) 8.462 22.255 ( 2.440 -2.574 7.683) 8.462 22.255 ( 2.440 2.644 7.693) 8.493 ======================= Grid point 251 (78/80) ======================= q-point: ( 0.22 -0.50 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 4.326 -5.792 -7.899) 10.708 1.715 ( 4.326 0.085 -6.891) 8.137 1.715 ( 4.326 -0.085 6.891) 8.137 1.715 ( 4.326 5.792 7.899) 10.708 2.234 ( 2.831 -5.317 -9.916) 11.602 2.234 ( 2.831 4.720 -9.780) 11.223 2.234 ( 2.831 -4.720 9.780) 11.223 2.234 ( 2.831 5.317 9.916) 11.602 2.834 ( -5.024 -6.871 -4.575) 9.663 2.834 ( -5.024 -1.866 -1.225) 5.497 2.834 ( -5.024 1.866 1.225) 5.497 2.834 ( -5.024 6.871 4.575) 9.663 3.130 ( 1.034 -5.317 -3.875) 6.660 3.130 ( 1.034 -0.390 -1.586) 1.933 3.130 ( 1.034 0.390 1.586) 1.933 3.130 ( 1.034 5.317 3.875) 6.660 3.593 ( -2.481 -9.735 -2.002) 10.244 3.593 ( -2.481 -9.730 1.991) 10.237 3.593 ( -2.481 9.730 -1.991) 10.237 3.593 ( -2.481 9.735 2.002) 10.244 4.005 ( 4.216 -3.320 -14.353) 15.324 4.005 ( 4.216 3.318 -14.353) 15.323 4.005 ( 4.216 -3.318 14.353) 15.323 4.005 ( 4.216 3.320 14.353) 15.324 5.134 ( -1.522 -9.578 -13.436) 16.571 5.134 ( -1.522 9.346 -13.363) 16.378 5.134 ( -1.522 -9.346 13.363) 16.378 5.134 ( -1.522 9.578 13.436) 16.571 5.653 ( 2.111 -8.936 -2.168) 9.434 5.653 ( 2.111 -8.419 0.841) 8.720 5.653 ( 2.111 8.419 -0.841) 8.720 5.653 ( 2.111 8.936 2.168) 9.434 6.747 ( -11.473 -6.721 -2.007) 13.447 6.747 ( -11.473 -6.290 1.238) 13.142 6.747 ( -11.473 6.290 -1.238) 13.142 6.747 ( -11.473 6.721 2.007) 13.447 7.714 ( 0.366 -11.365 -12.099) 16.604 7.714 ( 0.366 11.133 -12.003) 16.375 7.714 ( 0.366 -11.133 12.003) 16.375 7.714 ( 0.366 11.365 12.099) 16.604 8.416 ( 8.967 -5.031 -7.657) 12.820 8.416 ( 8.967 4.499 -7.509) 12.532 8.416 ( 8.967 -4.499 7.509) 12.532 8.416 ( 8.967 5.031 7.657) 12.820 9.187 ( -2.475 -8.139 -7.679) 11.460 9.187 ( -2.475 3.884 -6.019) 7.579 9.187 ( -2.475 -3.884 6.019) 7.579 9.187 ( -2.475 8.139 7.679) 11.460 10.019 ( -0.537 -4.267 -5.787) 7.210 10.019 ( -0.537 1.861 -5.190) 5.540 10.019 ( -0.537 -1.861 5.190) 5.540 10.019 ( -0.537 4.267 5.787) 7.210 10.955 ( -0.212 -2.135 -4.594) 5.070 10.955 ( -0.212 1.959 -4.559) 4.967 10.955 ( -0.212 -1.959 4.559) 4.967 10.955 ( -0.212 2.135 4.594) 5.070 12.043 ( 5.254 -11.268 -25.664) 28.517 12.043 ( 5.254 11.087 -25.629) 28.414 12.043 ( 5.254 -11.087 25.629) 28.414 12.043 ( 5.254 11.268 25.664) 28.517 15.613 ( -29.728 -10.940 -5.942) 32.230 15.613 ( -29.728 -7.117 -2.151) 30.644 15.613 ( -29.728 7.117 2.151) 30.644 15.613 ( -29.728 10.940 5.942) 32.230 21.335 ( 12.227 -12.551 -17.936) 25.075 21.335 ( 12.227 4.912 -16.200) 20.882 21.335 ( 12.227 -4.912 16.200) 20.882 21.335 ( 12.227 12.551 17.936) 25.075 22.321 ( 4.336 -5.258 -7.376) 10.042 22.321 ( 4.336 5.215 -7.363) 10.010 22.321 ( 4.336 -5.215 7.363) 10.010 22.321 ( 4.336 5.258 7.376) 10.042 ======================= Grid point 255 (79/80) ======================= q-point: ( 0.33 -0.50 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.851 -6.446 -3.695) 7.479 1.764 ( 0.851 -4.385 -1.931) 4.866 1.764 ( 0.851 4.385 1.931) 4.866 1.764 ( 0.851 6.446 3.695) 7.479 2.287 ( 2.201 -3.041 -7.057) 7.993 2.287 ( 2.201 2.717 -6.998) 7.823 2.287 ( 2.201 -2.717 6.998) 7.823 2.287 ( 2.201 3.041 7.057) 7.993 2.774 ( -0.436 -7.047 -5.208) 8.773 2.774 ( -0.436 3.710 -3.343) 5.013 2.774 ( -0.436 -3.710 3.343) 5.013 2.774 ( -0.436 7.047 5.208) 8.773 3.143 ( -0.464 -5.196 -5.445) 7.540 3.143 ( -0.464 5.193 -5.444) 7.538 3.143 ( -0.464 -5.193 5.444) 7.538 3.143 ( -0.464 5.196 5.445) 7.540 3.565 ( -0.278 -6.086 -2.775) 6.695 3.565 ( -0.278 -5.259 1.878) 5.591 3.565 ( -0.278 5.259 -1.878) 5.591 3.565 ( -0.278 6.086 2.775) 6.695 4.068 ( 2.265 -3.787 -14.319) 14.984 4.068 ( 2.265 3.785 -14.319) 14.983 4.068 ( 2.265 -3.785 14.319) 14.983 4.068 ( 2.265 3.787 14.319) 14.984 5.099 ( -2.046 -9.358 -12.999) 16.147 5.099 ( -2.046 9.203 -12.950) 16.018 5.099 ( -2.046 -9.203 12.950) 16.018 5.099 ( -2.046 9.358 12.999) 16.147 5.692 ( 1.773 -8.725 -1.993) 9.123 5.692 ( 1.773 -8.209 0.304) 8.404 5.692 ( 1.773 8.209 -0.304) 8.404 5.692 ( 1.773 8.725 1.993) 9.123 6.555 ( -8.018 -6.295 -2.131) 10.414 6.555 ( -8.018 -5.998 1.709) 10.159 6.555 ( -8.018 5.998 -1.709) 10.159 6.555 ( -8.018 6.295 2.131) 10.414 7.709 ( -0.637 -12.608 -11.907) 17.353 7.709 ( -0.637 11.837 -11.549) 16.550 7.709 ( -0.637 -11.837 11.549) 16.550 7.709 ( -0.637 12.608 11.907) 17.353 8.579 ( 7.568 -3.131 -9.402) 12.470 8.579 ( 7.568 0.878 -9.186) 11.935 8.579 ( 7.568 -0.878 9.186) 11.935 8.579 ( 7.568 3.131 9.402) 12.470 9.143 ( -1.942 -8.591 -9.532) 12.978 9.143 ( -1.942 6.499 -8.766) 11.084 9.143 ( -1.942 -6.499 8.766) 11.084 9.143 ( -1.942 8.591 9.532) 12.978 10.015 ( 0.161 -5.010 -5.710) 7.598 10.015 ( 0.161 3.085 -5.067) 5.935 10.015 ( 0.161 -3.085 5.067) 5.935 10.015 ( 0.161 5.010 5.710) 7.598 10.943 ( -0.893 -1.833 -5.911) 6.253 10.943 ( -0.893 1.822 -5.910) 6.248 10.943 ( -0.893 -1.822 5.910) 6.248 10.943 ( -0.893 1.833 5.911) 6.253 12.142 ( 4.647 -10.741 -25.978) 28.493 12.142 ( 4.647 10.584 -25.950) 28.408 12.142 ( 4.647 -10.584 25.950) 28.408 12.142 ( 4.647 10.741 25.978) 28.493 15.087 ( -23.393 -6.946 -2.833) 24.566 15.087 ( -23.393 -6.160 -1.857) 24.261 15.087 ( -23.393 6.160 1.857) 24.261 15.087 ( -23.393 6.946 2.833) 24.566 21.527 ( 7.457 -11.329 -17.458) 22.108 21.527 ( 7.457 7.718 -16.560) 19.733 21.527 ( 7.457 -7.718 16.560) 19.733 21.527 ( 7.457 11.329 17.458) 22.108 22.409 ( 4.377 -8.352 -8.223) 12.511 22.409 ( 4.377 8.063 -8.094) 12.235 22.409 ( 4.377 -8.063 8.094) 12.235 22.409 ( 4.377 8.352 8.223) 12.511 ======================= Grid point 259 (80/80) ======================= q-point: ( 0.44 -0.50 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -0.334 -8.085 -4.307) 9.167 1.764 ( -0.334 -5.677 1.953) 6.012 1.764 ( -0.334 5.677 -1.953) 6.012 1.764 ( -0.334 8.086 4.307) 9.167 2.309 ( 0.294 -3.914 -5.513) 6.767 2.309 ( 0.294 3.912 -5.512) 6.766 2.309 ( 0.294 -3.912 5.512) 6.766 2.309 ( 0.294 3.914 5.513) 6.767 2.805 ( 2.215 -3.024 -5.259) 6.458 2.805 ( 2.215 2.348 -5.103) 6.038 2.805 ( 2.215 -2.348 5.103) 6.038 2.805 ( 2.215 3.024 5.259) 6.458 3.112 ( -1.860 -8.891 -7.125) 11.544 3.112 ( -1.860 5.485 -5.386) 7.909 3.112 ( -1.860 -5.485 5.386) 7.909 3.112 ( -1.860 8.891 7.125) 11.544 3.575 ( 0.734 -3.965 -3.582) 5.394 3.575 ( 0.734 2.774 -3.043) 4.183 3.575 ( 0.734 -2.774 3.043) 4.183 3.575 ( 0.734 3.965 3.582) 5.394 4.094 ( 0.578 -3.490 -13.777) 14.224 4.094 ( 0.578 3.488 -13.777) 14.223 4.094 ( 0.578 -3.488 13.777) 14.223 4.094 ( 0.578 3.490 13.777) 14.224 5.066 ( -1.055 -9.133 -12.539) 15.549 5.066 ( -1.055 9.112 -12.532) 15.531 5.066 ( -1.055 -9.112 12.532) 15.531 5.066 ( -1.055 9.133 12.539) 15.549 5.716 ( 0.689 -8.332 -3.053) 8.900 5.716 ( 0.689 -7.748 2.269) 8.103 5.716 ( 0.689 7.748 -2.269) 8.103 5.716 ( 0.689 8.332 3.053) 8.900 6.451 ( -2.741 -4.348 -2.924) 5.913 6.451 ( -2.741 -0.002 -0.389) 2.769 6.451 ( -2.741 0.002 0.389) 2.769 6.451 ( -2.741 4.348 2.924) 5.913 7.697 ( -0.410 -13.037 -11.649) 17.488 7.697 ( -0.410 12.826 -11.545) 17.261 7.697 ( -0.410 -12.826 11.545) 17.261 7.697 ( -0.410 13.037 11.649) 17.488 8.686 ( 3.095 -3.016 -12.175) 12.919 8.686 ( 3.095 2.477 -12.120) 12.752 8.686 ( 3.095 -2.477 12.120) 12.752 8.686 ( 3.095 3.016 12.175) 12.919 9.115 ( -0.847 -6.545 -11.100) 12.914 9.115 ( -0.847 6.426 -11.069) 12.827 9.115 ( -0.847 -6.426 11.069) 12.827 9.115 ( -0.847 6.545 11.100) 12.914 10.021 ( 0.259 -6.094 -5.381) 8.134 10.021 ( 0.259 5.141 -4.919) 7.120 10.021 ( 0.259 -5.141 4.919) 7.120 10.021 ( 0.259 6.094 5.381) 8.134 10.928 ( -0.539 -0.762 -8.160) 8.213 10.928 ( -0.539 0.758 -8.160) 8.213 10.928 ( -0.539 -0.758 8.160) 8.213 10.928 ( -0.539 0.762 8.160) 8.213 12.207 ( 1.857 -10.501 -26.221) 28.306 12.207 ( 1.857 10.474 -26.216) 28.292 12.207 ( 1.857 -10.474 26.216) 28.292 12.207 ( 1.857 10.501 26.221) 28.306 14.770 ( -8.773 -2.558 -2.648) 9.514 14.770 ( -8.773 -1.010 -2.135) 9.085 14.770 ( -8.773 1.010 2.135) 9.085 14.770 ( -8.773 2.558 2.648) 9.514 21.620 ( 2.325 -9.191 -16.677) 19.183 21.620 ( 2.325 8.767 -16.575) 18.894 21.620 ( 2.325 -8.767 16.575) 18.894 21.620 ( 2.325 9.191 16.677) 19.183 22.472 ( 1.841 -10.194 -9.240) 13.881 22.472 ( 1.841 9.988 -9.140) 13.664 22.472 ( 1.841 -9.988 9.140) 13.664 22.472 ( 1.841 10.194 9.240) 13.881 =================== 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 3/23328 10.0 269.873 288.141 208.219 0.000 0.000 0.000 3/23328 20.0 51.633 79.145 53.516 0.000 0.000 -0.000 3/23328 30.0 22.843 38.206 28.221 0.000 0.000 -0.000 3/23328 40.0 13.915 24.035 18.714 0.000 0.000 -0.000 3/23328 50.0 9.806 17.258 13.872 0.000 0.000 -0.000 3/23328 60.0 7.506 13.369 10.994 0.000 0.000 -0.000 3/23328 70.0 6.065 10.881 9.117 0.000 0.000 -0.000 3/23328 80.0 5.091 9.171 7.810 0.000 0.000 -0.000 3/23328 90.0 4.395 7.933 6.855 0.000 0.000 -0.000 3/23328 100.0 3.879 6.999 6.131 0.000 0.000 -0.000 3/23328 110.0 3.482 6.272 5.563 0.000 0.000 -0.000 3/23328 120.0 3.171 5.690 5.106 0.000 0.000 -0.000 3/23328 130.0 2.920 5.213 4.731 0.000 0.000 -0.000 3/23328 140.0 2.714 4.815 4.415 0.000 0.000 -0.000 3/23328 150.0 2.543 4.478 4.146 0.000 0.000 -0.000 3/23328 160.0 2.398 4.189 3.913 0.000 0.000 -0.000 3/23328 170.0 2.274 3.937 3.709 0.000 0.000 -0.000 3/23328 180.0 2.165 3.717 3.528 0.000 0.000 -0.000 3/23328 190.0 2.070 3.521 3.366 0.000 0.000 -0.000 3/23328 200.0 1.985 3.346 3.220 0.000 0.000 -0.000 3/23328 210.0 1.909 3.189 3.087 0.000 0.000 -0.000 3/23328 220.0 1.840 3.047 2.966 0.000 0.000 -0.000 3/23328 230.0 1.776 2.918 2.855 0.000 0.000 -0.000 3/23328 240.0 1.718 2.801 2.752 0.000 0.000 -0.000 3/23328 250.0 1.664 2.692 2.658 0.000 0.000 -0.000 3/23328 260.0 1.614 2.593 2.569 0.000 0.000 -0.000 3/23328 270.0 1.567 2.500 2.487 0.000 0.000 -0.000 3/23328 280.0 1.523 2.415 2.410 0.000 0.000 -0.000 3/23328 290.0 1.482 2.335 2.338 0.000 0.000 -0.000 3/23328 300.0 1.443 2.261 2.270 0.000 0.000 -0.000 3/23328 310.0 1.406 2.191 2.206 0.000 0.000 -0.000 3/23328 320.0 1.371 2.126 2.145 0.000 0.000 -0.000 3/23328 330.0 1.338 2.064 2.088 0.000 0.000 -0.000 3/23328 340.0 1.306 2.006 2.034 0.000 0.000 -0.000 3/23328 350.0 1.276 1.952 1.982 0.000 0.000 -0.000 3/23328 360.0 1.247 1.900 1.933 0.000 0.000 -0.000 3/23328 370.0 1.219 1.851 1.887 0.000 0.000 -0.000 3/23328 380.0 1.193 1.804 1.842 0.000 0.000 -0.000 3/23328 390.0 1.168 1.760 1.800 0.000 0.000 -0.000 3/23328 400.0 1.143 1.718 1.759 0.000 0.000 -0.000 3/23328 410.0 1.120 1.678 1.721 0.000 0.000 -0.000 3/23328 420.0 1.097 1.640 1.684 0.000 0.000 -0.000 3/23328 430.0 1.076 1.603 1.648 0.000 0.000 -0.000 3/23328 440.0 1.055 1.568 1.614 0.000 0.000 -0.000 3/23328 450.0 1.035 1.535 1.581 0.000 0.000 -0.000 3/23328 460.0 1.016 1.503 1.550 0.000 0.000 -0.000 3/23328 470.0 0.997 1.472 1.519 0.000 0.000 -0.000 3/23328 480.0 0.979 1.443 1.490 0.000 0.000 -0.000 3/23328 490.0 0.961 1.414 1.462 0.000 0.000 -0.000 3/23328 500.0 0.945 1.387 1.435 0.000 0.000 -0.000 3/23328 510.0 0.928 1.361 1.409 0.000 0.000 -0.000 3/23328 520.0 0.913 1.336 1.384 0.000 0.000 -0.000 3/23328 530.0 0.897 1.311 1.360 0.000 0.000 -0.000 3/23328 540.0 0.883 1.288 1.336 0.000 0.000 -0.000 3/23328 550.0 0.868 1.265 1.313 0.000 0.000 -0.000 3/23328 560.0 0.854 1.243 1.291 0.000 0.000 -0.000 3/23328 570.0 0.841 1.222 1.270 0.000 0.000 -0.000 3/23328 580.0 0.828 1.202 1.250 0.000 0.000 -0.000 3/23328 590.0 0.815 1.182 1.230 0.000 0.000 -0.000 3/23328 600.0 0.803 1.163 1.210 0.000 0.000 -0.000 3/23328 610.0 0.791 1.144 1.192 0.000 0.000 -0.000 3/23328 620.0 0.779 1.126 1.173 0.000 0.000 -0.000 3/23328 630.0 0.768 1.109 1.156 0.000 0.000 -0.000 3/23328 640.0 0.757 1.092 1.139 0.000 0.000 -0.000 3/23328 650.0 0.747 1.076 1.122 0.000 0.000 -0.000 3/23328 660.0 0.736 1.060 1.106 0.000 0.000 -0.000 3/23328 670.0 0.726 1.045 1.090 0.000 0.000 -0.000 3/23328 680.0 0.716 1.030 1.075 0.000 0.000 -0.000 3/23328 690.0 0.707 1.015 1.060 0.000 0.000 -0.000 3/23328 700.0 0.697 1.001 1.046 0.000 0.000 -0.000 3/23328 710.0 0.688 0.987 1.032 0.000 0.000 -0.000 3/23328 720.0 0.679 0.974 1.018 0.000 0.000 -0.000 3/23328 730.0 0.671 0.961 1.004 0.000 0.000 -0.000 3/23328 740.0 0.662 0.948 0.991 0.000 0.000 -0.000 3/23328 750.0 0.654 0.936 0.979 0.000 0.000 -0.000 3/23328 760.0 0.646 0.924 0.966 0.000 0.000 -0.000 3/23328 770.0 0.638 0.912 0.954 0.000 0.000 -0.000 3/23328 780.0 0.630 0.900 0.943 0.000 0.000 -0.000 3/23328 790.0 0.623 0.889 0.931 0.000 0.000 -0.000 3/23328 800.0 0.616 0.878 0.920 0.000 0.000 -0.000 3/23328 810.0 0.608 0.868 0.909 0.000 0.000 -0.000 3/23328 820.0 0.601 0.857 0.898 0.000 0.000 -0.000 3/23328 830.0 0.595 0.847 0.888 0.000 0.000 -0.000 3/23328 840.0 0.588 0.837 0.878 0.000 0.000 -0.000 3/23328 850.0 0.581 0.828 0.868 0.000 0.000 -0.000 3/23328 860.0 0.575 0.818 0.858 0.000 0.000 -0.000 3/23328 870.0 0.569 0.809 0.848 0.000 0.000 -0.000 3/23328 880.0 0.562 0.800 0.839 0.000 0.000 -0.000 3/23328 890.0 0.556 0.791 0.830 0.000 0.000 -0.000 3/23328 900.0 0.551 0.782 0.821 0.000 0.000 -0.000 3/23328 910.0 0.545 0.774 0.812 0.000 0.000 -0.000 3/23328 920.0 0.539 0.766 0.803 0.000 0.000 -0.000 3/23328 930.0 0.534 0.758 0.795 0.000 0.000 -0.000 3/23328 940.0 0.528 0.750 0.787 0.000 0.000 -0.000 3/23328 950.0 0.523 0.742 0.779 0.000 0.000 -0.000 3/23328 960.0 0.518 0.734 0.771 0.000 0.000 -0.000 3/23328 970.0 0.513 0.727 0.763 0.000 0.000 -0.000 3/23328 980.0 0.508 0.719 0.755 0.000 0.000 -0.000 3/23328 990.0 0.503 0.712 0.748 0.000 0.000 -0.000 3/23328 1000.0 0.498 0.705 0.741 0.000 0.000 -0.000 3/23328 Thermal conductivity related properties were written into "kappa-m966.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:02:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|