----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:54:19]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.199987579999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.251176880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.358333719999997 Atomic positions (fractional): *1 Tl 0.63278585070601 0.75000000000000 0.10357073147228 204.383 2 Tl 0.36721414929399 0.25000000000000 0.89642926852772 204.383 3 Tl 0.13278585070601 0.75000000000000 0.39642926852772 204.383 4 Tl 0.86721414929399 0.25000000000000 0.60357073147228 204.383 *5 Tl 0.79158159951132 0.75000000000000 0.34919440754136 204.383 6 Tl 0.20841840048868 0.25000000000000 0.65080559245864 204.383 7 Tl 0.29158159951132 0.75000000000000 0.15080559245864 204.383 8 Tl 0.70841840048868 0.25000000000000 0.84919440754136 204.383 *9 Sn 0.95961219177332 0.25000000000000 0.11140693222401 118.710 10 Sn 0.04038780822668 0.75000000000000 0.88859306777599 118.710 11 Sn 0.45961219177332 0.25000000000000 0.38859306777599 118.710 12 Sn 0.54038780822668 0.75000000000000 0.61140693222401 118.710 *13 O 0.89217746834251 0.75000000000000 0.00912463084625 15.999 14 O 0.10782253165749 0.25000000000000 0.99087536915375 15.999 15 O 0.39217746834251 0.75000000000000 0.49087536915375 15.999 16 O 0.60782253165749 0.25000000000000 0.50912463084625 15.999 *17 O 0.54263806986301 0.75000000000000 0.30667508853573 15.999 18 O 0.45736193013699 0.25000000000000 0.69332491146427 15.999 19 O 0.04263806986301 0.75000000000000 0.19332491146427 15.999 20 O 0.95736193013699 0.25000000000000 0.80667508853573 15.999 *21 O 0.78600888570185 0.25000000000000 0.19173573795207 15.999 22 O 0.21399111429815 0.75000000000000 0.80826426204793 15.999 23 O 0.28600888570185 0.25000000000000 0.30826426204793 15.999 24 O 0.71399111429815 0.75000000000000 0.69173573795207 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.199987579999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.251176880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.358333719999997 Atomic positions (fractional): *1 Tl 0.63278585070601 0.75000000000000 0.10357073147228 204.383 > 1 2 Tl 0.36721414929399 0.25000000000000 0.89642926852772 204.383 > 2 3 Tl 0.13278585070601 0.75000000000000 0.39642926852772 204.383 > 3 4 Tl 0.86721414929399 0.25000000000000 0.60357073147228 204.383 > 4 *5 Tl 0.79158159951132 0.75000000000000 0.34919440754136 204.383 > 5 6 Tl 0.20841840048868 0.25000000000000 0.65080559245864 204.383 > 6 7 Tl 0.29158159951132 0.75000000000000 0.15080559245864 204.383 > 7 8 Tl 0.70841840048868 0.25000000000000 0.84919440754136 204.383 > 8 *9 Sn 0.95961219177332 0.25000000000000 0.11140693222401 118.710 > 9 10 Sn 0.04038780822668 0.75000000000000 0.88859306777599 118.710 > 10 11 Sn 0.45961219177332 0.25000000000000 0.38859306777599 118.710 > 11 12 Sn 0.54038780822668 0.75000000000000 0.61140693222401 118.710 > 12 *13 O 0.89217746834251 0.75000000000000 0.00912463084625 15.999 > 13 14 O 0.10782253165749 0.25000000000000 0.99087536915375 15.999 > 14 15 O 0.39217746834251 0.75000000000000 0.49087536915375 15.999 > 15 16 O 0.60782253165749 0.25000000000000 0.50912463084625 15.999 > 16 *17 O 0.54263806986301 0.75000000000000 0.30667508853573 15.999 > 17 18 O 0.45736193013699 0.25000000000000 0.69332491146427 15.999 > 18 19 O 0.04263806986301 0.75000000000000 0.19332491146427 15.999 > 19 20 O 0.95736193013699 0.25000000000000 0.80667508853573 15.999 > 20 *21 O 0.78600888570185 0.25000000000000 0.19173573795207 15.999 > 21 22 O 0.21399111429815 0.75000000000000 0.80826426204793 15.999 > 22 23 O 0.28600888570185 0.25000000000000 0.30826426204793 15.999 > 23 24 O 0.71399111429815 0.75000000000000 0.69173573795207 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.199987579999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.004707520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.358333719999997 Atomic positions (fractional): *1 Tl 0.63278585070601 0.18750000000000 0.10357073147228 204.383 > 1 2 Tl 0.63278585070601 0.43750000000000 0.10357073147228 204.383 > 1 3 Tl 0.63278585070601 0.68750000000000 0.10357073147228 204.383 > 1 4 Tl 0.63278585070601 0.93750000000000 0.10357073147228 204.383 > 1 5 Tl 0.36721414929399 0.06250000000000 0.89642926852772 204.383 > 2 6 Tl 0.36721414929399 0.31250000000000 0.89642926852772 204.383 > 2 7 Tl 0.36721414929399 0.56250000000000 0.89642926852772 204.383 > 2 8 Tl 0.36721414929399 0.81250000000000 0.89642926852772 204.383 > 2 9 Tl 0.13278585070601 0.18750000000000 0.39642926852772 204.383 > 3 10 Tl 0.13278585070601 0.43750000000000 0.39642926852772 204.383 > 3 11 Tl 0.13278585070601 0.68750000000000 0.39642926852772 204.383 > 3 12 Tl 0.13278585070601 0.93750000000000 0.39642926852772 204.383 > 3 13 Tl 0.86721414929399 0.06250000000000 0.60357073147228 204.383 > 4 14 Tl 0.86721414929399 0.31250000000000 0.60357073147228 204.383 > 4 15 Tl 0.86721414929399 0.56250000000000 0.60357073147228 204.383 > 4 16 Tl 0.86721414929399 0.81250000000000 0.60357073147228 204.383 > 4 *17 Tl 0.79158159951132 0.18750000000000 0.34919440754136 204.383 > 5 18 Tl 0.79158159951132 0.43750000000000 0.34919440754136 204.383 > 5 19 Tl 0.79158159951132 0.68750000000000 0.34919440754136 204.383 > 5 20 Tl 0.79158159951132 0.93750000000000 0.34919440754136 204.383 > 5 21 Tl 0.20841840048868 0.06250000000000 0.65080559245864 204.383 > 6 22 Tl 0.20841840048868 0.31250000000000 0.65080559245864 204.383 > 6 23 Tl 0.20841840048868 0.56250000000000 0.65080559245864 204.383 > 6 24 Tl 0.20841840048868 0.81250000000000 0.65080559245864 204.383 > 6 25 Tl 0.29158159951132 0.18750000000000 0.15080559245864 204.383 > 7 26 Tl 0.29158159951132 0.43750000000000 0.15080559245864 204.383 > 7 27 Tl 0.29158159951132 0.68750000000000 0.15080559245864 204.383 > 7 28 Tl 0.29158159951132 0.93750000000000 0.15080559245864 204.383 > 7 29 Tl 0.70841840048868 0.06250000000000 0.84919440754136 204.383 > 8 30 Tl 0.70841840048868 0.31250000000000 0.84919440754136 204.383 > 8 31 Tl 0.70841840048868 0.56250000000000 0.84919440754136 204.383 > 8 32 Tl 0.70841840048868 0.81250000000000 0.84919440754136 204.383 > 8 *33 Sn 0.95961219177332 0.06250000000000 0.11140693222401 118.710 > 9 34 Sn 0.95961219177332 0.31250000000000 0.11140693222401 118.710 > 9 35 Sn 0.95961219177332 0.56250000000000 0.11140693222401 118.710 > 9 36 Sn 0.95961219177332 0.81250000000000 0.11140693222401 118.710 > 9 37 Sn 0.04038780822668 0.18750000000000 0.88859306777599 118.710 > 10 38 Sn 0.04038780822668 0.43750000000000 0.88859306777599 118.710 > 10 39 Sn 0.04038780822668 0.68750000000000 0.88859306777599 118.710 > 10 40 Sn 0.04038780822668 0.93750000000000 0.88859306777599 118.710 > 10 41 Sn 0.45961219177332 0.06250000000000 0.38859306777599 118.710 > 11 42 Sn 0.45961219177332 0.31250000000000 0.38859306777599 118.710 > 11 43 Sn 0.45961219177332 0.56250000000000 0.38859306777599 118.710 > 11 44 Sn 0.45961219177332 0.81250000000000 0.38859306777599 118.710 > 11 45 Sn 0.54038780822668 0.18750000000000 0.61140693222401 118.710 > 12 46 Sn 0.54038780822668 0.43750000000000 0.61140693222401 118.710 > 12 47 Sn 0.54038780822668 0.68750000000000 0.61140693222401 118.710 > 12 48 Sn 0.54038780822668 0.93750000000000 0.61140693222401 118.710 > 12 *49 O 0.89217746834251 0.18750000000000 0.00912463084625 15.999 > 13 50 O 0.89217746834251 0.43750000000000 0.00912463084625 15.999 > 13 51 O 0.89217746834251 0.68750000000000 0.00912463084625 15.999 > 13 52 O 0.89217746834251 0.93750000000000 0.00912463084625 15.999 > 13 53 O 0.10782253165749 0.06250000000000 0.99087536915375 15.999 > 14 54 O 0.10782253165749 0.31250000000000 0.99087536915375 15.999 > 14 55 O 0.10782253165749 0.56250000000000 0.99087536915375 15.999 > 14 56 O 0.10782253165749 0.81250000000000 0.99087536915375 15.999 > 14 57 O 0.39217746834251 0.18750000000000 0.49087536915375 15.999 > 15 58 O 0.39217746834251 0.43750000000000 0.49087536915375 15.999 > 15 59 O 0.39217746834251 0.68750000000000 0.49087536915375 15.999 > 15 60 O 0.39217746834251 0.93750000000000 0.49087536915375 15.999 > 15 61 O 0.60782253165749 0.06250000000000 0.50912463084625 15.999 > 16 62 O 0.60782253165749 0.31250000000000 0.50912463084625 15.999 > 16 63 O 0.60782253165749 0.56250000000000 0.50912463084625 15.999 > 16 64 O 0.60782253165749 0.81250000000000 0.50912463084625 15.999 > 16 *65 O 0.54263806986301 0.18750000000000 0.30667508853573 15.999 > 17 66 O 0.54263806986301 0.43750000000000 0.30667508853573 15.999 > 17 67 O 0.54263806986301 0.68750000000000 0.30667508853573 15.999 > 17 68 O 0.54263806986301 0.93750000000000 0.30667508853573 15.999 > 17 69 O 0.45736193013699 0.06250000000000 0.69332491146427 15.999 > 18 70 O 0.45736193013699 0.31250000000000 0.69332491146427 15.999 > 18 71 O 0.45736193013699 0.56250000000000 0.69332491146427 15.999 > 18 72 O 0.45736193013699 0.81250000000000 0.69332491146427 15.999 > 18 73 O 0.04263806986301 0.18750000000000 0.19332491146427 15.999 > 19 74 O 0.04263806986301 0.43750000000000 0.19332491146427 15.999 > 19 75 O 0.04263806986301 0.68750000000000 0.19332491146427 15.999 > 19 76 O 0.04263806986301 0.93750000000000 0.19332491146427 15.999 > 19 77 O 0.95736193013699 0.06250000000000 0.80667508853573 15.999 > 20 78 O 0.95736193013699 0.31250000000000 0.80667508853573 15.999 > 20 79 O 0.95736193013699 0.56250000000000 0.80667508853573 15.999 > 20 80 O 0.95736193013699 0.81250000000000 0.80667508853573 15.999 > 20 *81 O 0.78600888570185 0.06250000000000 0.19173573795207 15.999 > 21 82 O 0.78600888570185 0.31250000000000 0.19173573795207 15.999 > 21 83 O 0.78600888570185 0.56250000000000 0.19173573795207 15.999 > 21 84 O 0.78600888570185 0.81250000000000 0.19173573795207 15.999 > 21 85 O 0.21399111429815 0.18750000000000 0.80826426204793 15.999 > 22 86 O 0.21399111429815 0.43750000000000 0.80826426204793 15.999 > 22 87 O 0.21399111429815 0.68750000000000 0.80826426204793 15.999 > 22 88 O 0.21399111429815 0.93750000000000 0.80826426204793 15.999 > 22 89 O 0.28600888570185 0.06250000000000 0.30826426204793 15.999 > 23 90 O 0.28600888570185 0.31250000000000 0.30826426204793 15.999 > 23 91 O 0.28600888570185 0.56250000000000 0.30826426204793 15.999 > 23 92 O 0.28600888570185 0.81250000000000 0.30826426204793 15.999 > 23 93 O 0.71399111429815 0.18750000000000 0.69173573795207 15.999 > 24 94 O 0.71399111429815 0.43750000000000 0.69173573795207 15.999 > 24 95 O 0.71399111429815 0.68750000000000 0.69173573795207 15.999 > 24 96 O 0.71399111429815 0.93750000000000 0.69173573795207 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7099881 0.0000000 0.0000000 0.0000000 9.1262722 0.0000000 0.0000000 0.0000000 7.4581924 -------------------------- Born effective charges -------------------------- 1 Tl 2.0423800 0.0000000 0.1885122 0.0000000 1.5889659 0.0000000 0.3987528 0.0000000 2.2002862 2 Tl 2.0423800 0.0000000 0.1885122 0.0000000 1.5889659 0.0000000 0.3987528 0.0000000 2.2002862 3 Tl 2.0423800 0.0000000 -0.1885122 0.0000000 1.5889659 0.0000000 -0.3987528 0.0000000 2.2002862 4 Tl 2.0423800 0.0000000 -0.1885122 0.0000000 1.5889659 0.0000000 -0.3987528 0.0000000 2.2002862 5 Tl 1.8423297 0.0000000 0.0085703 0.0000000 1.5798793 0.0000000 -0.1565326 0.0000000 2.4041195 6 Tl 1.8423297 0.0000000 0.0085703 0.0000000 1.5798793 0.0000000 -0.1565326 0.0000000 2.4041195 7 Tl 1.8423297 0.0000000 -0.0085703 0.0000000 1.5798793 0.0000000 0.1565326 0.0000000 2.4041195 8 Tl 1.8423297 0.0000000 -0.0085703 0.0000000 1.5798793 0.0000000 0.1565326 0.0000000 2.4041195 9 Sn 3.8812746 0.0000000 -0.2393136 0.0000000 4.4896958 0.0000000 -0.3536896 0.0000000 3.7272008 10 Sn 3.8812746 0.0000000 -0.2393136 0.0000000 4.4896958 0.0000000 -0.3536896 0.0000000 3.7272008 11 Sn 3.8812746 0.0000000 0.2393136 0.0000000 4.4896958 0.0000000 0.3536896 0.0000000 3.7272008 12 Sn 3.8812746 0.0000000 0.2393136 0.0000000 4.4896958 0.0000000 0.3536896 0.0000000 3.7272008 13 O -2.2779228 0.0000000 0.0525050 0.0000000 -2.5037542 0.0000000 0.1356573 0.0000000 -2.7006920 14 O -2.2779228 0.0000000 0.0525050 0.0000000 -2.5037542 0.0000000 0.1356573 0.0000000 -2.7006920 15 O -2.2779228 0.0000000 -0.0525050 0.0000000 -2.5037542 0.0000000 -0.1356573 0.0000000 -2.7006920 16 O -2.2779228 0.0000000 -0.0525050 0.0000000 -2.5037542 0.0000000 -0.1356573 0.0000000 -2.7006920 17 O -2.9130159 0.0000000 0.3543274 0.0000000 -2.0544214 0.0000000 0.2919974 0.0000000 -2.5605698 18 O -2.9130159 0.0000000 0.3543274 0.0000000 -2.0544214 0.0000000 0.2919974 0.0000000 -2.5605698 19 O -2.9130159 0.0000000 -0.3543274 0.0000000 -2.0544214 0.0000000 -0.2919974 0.0000000 -2.5605698 20 O -2.9130159 0.0000000 -0.3543274 0.0000000 -2.0544214 0.0000000 -0.2919974 0.0000000 -2.5605698 21 O -2.5750455 0.0000000 -0.3502656 0.0000000 -3.1003654 0.0000000 -0.4635254 0.0000000 -3.0703447 22 O -2.5750455 0.0000000 -0.3502656 0.0000000 -3.1003654 0.0000000 -0.4635254 0.0000000 -3.0703447 23 O -2.5750455 0.0000000 0.3502656 0.0000000 -3.1003654 0.0000000 0.4635254 0.0000000 -3.0703447 24 O -2.5750455 0.0000000 0.3502656 0.0000000 -3.1003654 0.0000000 0.4635254 0.0000000 -3.0703447 ---------------------------------------------------------------------------- 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: 1422 Number of blocks in projector: 1422 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: 360 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 210 Use standard eigh solver. Tree of FC basis block matrices: - (1422, 1392), data: False |-- (210, 204), data: True |-- (210, 204), data: True |-- (210, 204), data: True |-- (216, 216), data: True |-- (216, 216), data: True |-- (360, 348), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 400 - Time: 0.292 Solver_block: 200 / 400 - Time: 0.294 Solver_block: 300 / 400 - Time: 0.290 Solver_block: 400 / 400 - Time: 0.290 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.189 --------------------------------- 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: 1422 Number of blocks in projector: 1422 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: 360 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 210 Use standard eigh solver. Tree of FC basis block matrices: - (1422, 1392), data: False |-- (210, 204), data: True |-- (210, 204), data: True |-- (210, 204), data: True |-- (216, 216), data: True |-- (216, 216), data: True |-- (360, 348), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:54:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:54:37]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.199987579999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.251176880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.358333719999997 Atomic positions (fractional): 1 Tl 0.63278585070601 0.75000000000000 0.10357073147228 204.383 2 Tl 0.36721414929399 0.25000000000000 0.89642926852772 204.383 3 Tl 0.13278585070601 0.75000000000000 0.39642926852772 204.383 4 Tl 0.86721414929399 0.25000000000000 0.60357073147228 204.383 5 Tl 0.79158159951132 0.75000000000000 0.34919440754136 204.383 6 Tl 0.20841840048868 0.25000000000000 0.65080559245864 204.383 7 Tl 0.29158159951132 0.75000000000000 0.15080559245864 204.383 8 Tl 0.70841840048868 0.25000000000000 0.84919440754136 204.383 9 Sn 0.95961219177332 0.25000000000000 0.11140693222401 118.710 10 Sn 0.04038780822668 0.75000000000000 0.88859306777599 118.710 11 Sn 0.45961219177332 0.25000000000000 0.38859306777599 118.710 12 Sn 0.54038780822668 0.75000000000000 0.61140693222401 118.710 13 O 0.89217746834251 0.75000000000000 0.00912463084625 15.999 14 O 0.10782253165749 0.25000000000000 0.99087536915375 15.999 15 O 0.39217746834251 0.75000000000000 0.49087536915375 15.999 16 O 0.60782253165749 0.25000000000000 0.50912463084625 15.999 17 O 0.54263806986301 0.75000000000000 0.30667508853573 15.999 18 O 0.45736193013699 0.25000000000000 0.69332491146427 15.999 19 O 0.04263806986301 0.75000000000000 0.19332491146427 15.999 20 O 0.95736193013699 0.25000000000000 0.80667508853573 15.999 21 O 0.78600888570185 0.25000000000000 0.19173573795207 15.999 22 O 0.21399111429815 0.75000000000000 0.80826426204793 15.999 23 O 0.28600888570185 0.25000000000000 0.30826426204793 15.999 24 O 0.71399111429815 0.75000000000000 0.69173573795207 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.199987579999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.004707520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.358333719999997 Atomic positions (fractional): 1 Tl 0.63278585070601 0.18750000000000 0.10357073147228 204.383 > 1 2 Tl 0.63278585070601 0.43750000000000 0.10357073147228 204.383 > 1 3 Tl 0.63278585070601 0.68750000000000 0.10357073147228 204.383 > 1 4 Tl 0.63278585070601 0.93750000000000 0.10357073147228 204.383 > 1 5 Tl 0.36721414929399 0.06250000000000 0.89642926852772 204.383 > 5 6 Tl 0.36721414929399 0.31250000000000 0.89642926852772 204.383 > 5 7 Tl 0.36721414929399 0.56250000000000 0.89642926852772 204.383 > 5 8 Tl 0.36721414929399 0.81250000000000 0.89642926852772 204.383 > 5 9 Tl 0.13278585070601 0.18750000000000 0.39642926852772 204.383 > 9 10 Tl 0.13278585070601 0.43750000000000 0.39642926852772 204.383 > 9 11 Tl 0.13278585070601 0.68750000000000 0.39642926852772 204.383 > 9 12 Tl 0.13278585070601 0.93750000000000 0.39642926852772 204.383 > 9 13 Tl 0.86721414929399 0.06250000000000 0.60357073147228 204.383 > 13 14 Tl 0.86721414929399 0.31250000000000 0.60357073147228 204.383 > 13 15 Tl 0.86721414929399 0.56250000000000 0.60357073147228 204.383 > 13 16 Tl 0.86721414929399 0.81250000000000 0.60357073147228 204.383 > 13 17 Tl 0.79158159951132 0.18750000000000 0.34919440754136 204.383 > 17 18 Tl 0.79158159951132 0.43750000000000 0.34919440754136 204.383 > 17 19 Tl 0.79158159951132 0.68750000000000 0.34919440754136 204.383 > 17 20 Tl 0.79158159951132 0.93750000000000 0.34919440754136 204.383 > 17 21 Tl 0.20841840048868 0.06250000000000 0.65080559245864 204.383 > 21 22 Tl 0.20841840048868 0.31250000000000 0.65080559245864 204.383 > 21 23 Tl 0.20841840048868 0.56250000000000 0.65080559245864 204.383 > 21 24 Tl 0.20841840048868 0.81250000000000 0.65080559245864 204.383 > 21 25 Tl 0.29158159951132 0.18750000000000 0.15080559245864 204.383 > 25 26 Tl 0.29158159951132 0.43750000000000 0.15080559245864 204.383 > 25 27 Tl 0.29158159951132 0.68750000000000 0.15080559245864 204.383 > 25 28 Tl 0.29158159951132 0.93750000000000 0.15080559245864 204.383 > 25 29 Tl 0.70841840048868 0.06250000000000 0.84919440754136 204.383 > 29 30 Tl 0.70841840048868 0.31250000000000 0.84919440754136 204.383 > 29 31 Tl 0.70841840048868 0.56250000000000 0.84919440754136 204.383 > 29 32 Tl 0.70841840048868 0.81250000000000 0.84919440754136 204.383 > 29 33 Sn 0.95961219177332 0.06250000000000 0.11140693222401 118.710 > 33 34 Sn 0.95961219177332 0.31250000000000 0.11140693222401 118.710 > 33 35 Sn 0.95961219177332 0.56250000000000 0.11140693222401 118.710 > 33 36 Sn 0.95961219177332 0.81250000000000 0.11140693222401 118.710 > 33 37 Sn 0.04038780822668 0.18750000000000 0.88859306777599 118.710 > 37 38 Sn 0.04038780822668 0.43750000000000 0.88859306777599 118.710 > 37 39 Sn 0.04038780822668 0.68750000000000 0.88859306777599 118.710 > 37 40 Sn 0.04038780822668 0.93750000000000 0.88859306777599 118.710 > 37 41 Sn 0.45961219177332 0.06250000000000 0.38859306777599 118.710 > 41 42 Sn 0.45961219177332 0.31250000000000 0.38859306777599 118.710 > 41 43 Sn 0.45961219177332 0.56250000000000 0.38859306777599 118.710 > 41 44 Sn 0.45961219177332 0.81250000000000 0.38859306777599 118.710 > 41 45 Sn 0.54038780822668 0.18750000000000 0.61140693222401 118.710 > 45 46 Sn 0.54038780822668 0.43750000000000 0.61140693222401 118.710 > 45 47 Sn 0.54038780822668 0.68750000000000 0.61140693222401 118.710 > 45 48 Sn 0.54038780822668 0.93750000000000 0.61140693222401 118.710 > 45 49 O 0.89217746834251 0.18750000000000 0.00912463084625 15.999 > 49 50 O 0.89217746834251 0.43750000000000 0.00912463084625 15.999 > 49 51 O 0.89217746834251 0.68750000000000 0.00912463084625 15.999 > 49 52 O 0.89217746834251 0.93750000000000 0.00912463084625 15.999 > 49 53 O 0.10782253165749 0.06250000000000 0.99087536915375 15.999 > 53 54 O 0.10782253165749 0.31250000000000 0.99087536915375 15.999 > 53 55 O 0.10782253165749 0.56250000000000 0.99087536915375 15.999 > 53 56 O 0.10782253165749 0.81250000000000 0.99087536915375 15.999 > 53 57 O 0.39217746834251 0.18750000000000 0.49087536915375 15.999 > 57 58 O 0.39217746834251 0.43750000000000 0.49087536915375 15.999 > 57 59 O 0.39217746834251 0.68750000000000 0.49087536915375 15.999 > 57 60 O 0.39217746834251 0.93750000000000 0.49087536915375 15.999 > 57 61 O 0.60782253165749 0.06250000000000 0.50912463084625 15.999 > 61 62 O 0.60782253165749 0.31250000000000 0.50912463084625 15.999 > 61 63 O 0.60782253165749 0.56250000000000 0.50912463084625 15.999 > 61 64 O 0.60782253165749 0.81250000000000 0.50912463084625 15.999 > 61 65 O 0.54263806986301 0.18750000000000 0.30667508853573 15.999 > 65 66 O 0.54263806986301 0.43750000000000 0.30667508853573 15.999 > 65 67 O 0.54263806986301 0.68750000000000 0.30667508853573 15.999 > 65 68 O 0.54263806986301 0.93750000000000 0.30667508853573 15.999 > 65 69 O 0.45736193013699 0.06250000000000 0.69332491146427 15.999 > 69 70 O 0.45736193013699 0.31250000000000 0.69332491146427 15.999 > 69 71 O 0.45736193013699 0.56250000000000 0.69332491146427 15.999 > 69 72 O 0.45736193013699 0.81250000000000 0.69332491146427 15.999 > 69 73 O 0.04263806986301 0.18750000000000 0.19332491146427 15.999 > 73 74 O 0.04263806986301 0.43750000000000 0.19332491146427 15.999 > 73 75 O 0.04263806986301 0.68750000000000 0.19332491146427 15.999 > 73 76 O 0.04263806986301 0.93750000000000 0.19332491146427 15.999 > 73 77 O 0.95736193013699 0.06250000000000 0.80667508853573 15.999 > 77 78 O 0.95736193013699 0.31250000000000 0.80667508853573 15.999 > 77 79 O 0.95736193013699 0.56250000000000 0.80667508853573 15.999 > 77 80 O 0.95736193013699 0.81250000000000 0.80667508853573 15.999 > 77 81 O 0.78600888570185 0.06250000000000 0.19173573795207 15.999 > 81 82 O 0.78600888570185 0.31250000000000 0.19173573795207 15.999 > 81 83 O 0.78600888570185 0.56250000000000 0.19173573795207 15.999 > 81 84 O 0.78600888570185 0.81250000000000 0.19173573795207 15.999 > 81 85 O 0.21399111429815 0.18750000000000 0.80826426204793 15.999 > 85 86 O 0.21399111429815 0.43750000000000 0.80826426204793 15.999 > 85 87 O 0.21399111429815 0.68750000000000 0.80826426204793 15.999 > 85 88 O 0.21399111429815 0.93750000000000 0.80826426204793 15.999 > 85 89 O 0.28600888570185 0.06250000000000 0.30826426204793 15.999 > 89 90 O 0.28600888570185 0.31250000000000 0.30826426204793 15.999 > 89 91 O 0.28600888570185 0.56250000000000 0.30826426204793 15.999 > 89 92 O 0.28600888570185 0.81250000000000 0.30826426204793 15.999 > 89 93 O 0.71399111429815 0.18750000000000 0.69173573795207 15.999 > 93 94 O 0.71399111429815 0.43750000000000 0.69173573795207 15.999 > 93 95 O 0.71399111429815 0.68750000000000 0.69173573795207 15.999 > 93 96 O 0.71399111429815 0.93750000000000 0.69173573795207 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7099881 0.0000000 0.0000000 0.0000000 9.1262722 0.0000000 0.0000000 0.0000000 7.4581924 -------------------------- Born effective charges -------------------------- 1 Tl 2.0423800 0.0000000 0.1885122 0.0000000 1.5889659 0.0000000 0.3987528 0.0000000 2.2002862 2 Tl 2.0423800 0.0000000 0.1885122 0.0000000 1.5889659 0.0000000 0.3987528 0.0000000 2.2002862 3 Tl 2.0423800 0.0000000 -0.1885122 0.0000000 1.5889659 0.0000000 -0.3987528 0.0000000 2.2002862 4 Tl 2.0423800 0.0000000 -0.1885122 0.0000000 1.5889659 0.0000000 -0.3987528 0.0000000 2.2002862 5 Tl 1.8423297 0.0000000 0.0085703 0.0000000 1.5798793 0.0000000 -0.1565326 0.0000000 2.4041195 6 Tl 1.8423297 0.0000000 0.0085703 0.0000000 1.5798793 0.0000000 -0.1565326 0.0000000 2.4041195 7 Tl 1.8423297 0.0000000 -0.0085703 0.0000000 1.5798793 0.0000000 0.1565326 0.0000000 2.4041195 8 Tl 1.8423297 0.0000000 -0.0085703 0.0000000 1.5798793 0.0000000 0.1565326 0.0000000 2.4041195 9 Sn 3.8812746 0.0000000 -0.2393136 0.0000000 4.4896958 0.0000000 -0.3536896 0.0000000 3.7272008 10 Sn 3.8812746 0.0000000 -0.2393136 0.0000000 4.4896958 0.0000000 -0.3536896 0.0000000 3.7272008 11 Sn 3.8812746 0.0000000 0.2393136 0.0000000 4.4896958 0.0000000 0.3536896 0.0000000 3.7272008 12 Sn 3.8812746 0.0000000 0.2393136 0.0000000 4.4896958 0.0000000 0.3536896 0.0000000 3.7272008 13 O -2.2779228 0.0000000 0.0525050 0.0000000 -2.5037542 0.0000000 0.1356573 0.0000000 -2.7006920 14 O -2.2779228 0.0000000 0.0525050 0.0000000 -2.5037542 0.0000000 0.1356573 0.0000000 -2.7006920 15 O -2.2779228 0.0000000 -0.0525050 0.0000000 -2.5037542 0.0000000 -0.1356573 0.0000000 -2.7006920 16 O -2.2779228 0.0000000 -0.0525050 0.0000000 -2.5037542 0.0000000 -0.1356573 0.0000000 -2.7006920 17 O -2.9130159 0.0000000 0.3543274 0.0000000 -2.0544214 0.0000000 0.2919974 0.0000000 -2.5605698 18 O -2.9130159 0.0000000 0.3543274 0.0000000 -2.0544214 0.0000000 0.2919974 0.0000000 -2.5605698 19 O -2.9130159 0.0000000 -0.3543274 0.0000000 -2.0544214 0.0000000 -0.2919974 0.0000000 -2.5605698 20 O -2.9130159 0.0000000 -0.3543274 0.0000000 -2.0544214 0.0000000 -0.2919974 0.0000000 -2.5605698 21 O -2.5750455 0.0000000 -0.3502656 0.0000000 -3.1003654 0.0000000 -0.4635254 0.0000000 -3.0703447 22 O -2.5750455 0.0000000 -0.3502656 0.0000000 -3.1003654 0.0000000 -0.4635254 0.0000000 -3.0703447 23 O -2.5750455 0.0000000 0.3502656 0.0000000 -3.1003654 0.0000000 0.4635254 0.0000000 -3.0703447 24 O -2.5750455 0.0000000 0.3502656 0.0000000 -3.1003654 0.0000000 0.4635254 0.0000000 -3.0703447 ---------------------------------------------------------------------------- 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[ 49, 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: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:54:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:54:56]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.199987579999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.251176880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.358333719999997 Atomic positions (fractional): 1 Tl 0.63278585070601 0.75000000000000 0.10357073147228 204.383 2 Tl 0.36721414929399 0.25000000000000 0.89642926852772 204.383 3 Tl 0.13278585070601 0.75000000000000 0.39642926852772 204.383 4 Tl 0.86721414929399 0.25000000000000 0.60357073147228 204.383 5 Tl 0.79158159951132 0.75000000000000 0.34919440754136 204.383 6 Tl 0.20841840048868 0.25000000000000 0.65080559245864 204.383 7 Tl 0.29158159951132 0.75000000000000 0.15080559245864 204.383 8 Tl 0.70841840048868 0.25000000000000 0.84919440754136 204.383 9 Sn 0.95961219177332 0.25000000000000 0.11140693222401 118.710 10 Sn 0.04038780822668 0.75000000000000 0.88859306777599 118.710 11 Sn 0.45961219177332 0.25000000000000 0.38859306777599 118.710 12 Sn 0.54038780822668 0.75000000000000 0.61140693222401 118.710 13 O 0.89217746834251 0.75000000000000 0.00912463084625 15.999 14 O 0.10782253165749 0.25000000000000 0.99087536915375 15.999 15 O 0.39217746834251 0.75000000000000 0.49087536915375 15.999 16 O 0.60782253165749 0.25000000000000 0.50912463084625 15.999 17 O 0.54263806986301 0.75000000000000 0.30667508853573 15.999 18 O 0.45736193013699 0.25000000000000 0.69332491146427 15.999 19 O 0.04263806986301 0.75000000000000 0.19332491146427 15.999 20 O 0.95736193013699 0.25000000000000 0.80667508853573 15.999 21 O 0.78600888570185 0.25000000000000 0.19173573795207 15.999 22 O 0.21399111429815 0.75000000000000 0.80826426204793 15.999 23 O 0.28600888570185 0.25000000000000 0.30826426204793 15.999 24 O 0.71399111429815 0.75000000000000 0.69173573795207 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.199987579999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.004707520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.358333719999997 Atomic positions (fractional): 1 Tl 0.63278585070601 0.18750000000000 0.10357073147228 204.383 > 1 2 Tl 0.63278585070601 0.43750000000000 0.10357073147228 204.383 > 1 3 Tl 0.63278585070601 0.68750000000000 0.10357073147228 204.383 > 1 4 Tl 0.63278585070601 0.93750000000000 0.10357073147228 204.383 > 1 5 Tl 0.36721414929399 0.06250000000000 0.89642926852772 204.383 > 5 6 Tl 0.36721414929399 0.31250000000000 0.89642926852772 204.383 > 5 7 Tl 0.36721414929399 0.56250000000000 0.89642926852772 204.383 > 5 8 Tl 0.36721414929399 0.81250000000000 0.89642926852772 204.383 > 5 9 Tl 0.13278585070601 0.18750000000000 0.39642926852772 204.383 > 9 10 Tl 0.13278585070601 0.43750000000000 0.39642926852772 204.383 > 9 11 Tl 0.13278585070601 0.68750000000000 0.39642926852772 204.383 > 9 12 Tl 0.13278585070601 0.93750000000000 0.39642926852772 204.383 > 9 13 Tl 0.86721414929399 0.06250000000000 0.60357073147228 204.383 > 13 14 Tl 0.86721414929399 0.31250000000000 0.60357073147228 204.383 > 13 15 Tl 0.86721414929399 0.56250000000000 0.60357073147228 204.383 > 13 16 Tl 0.86721414929399 0.81250000000000 0.60357073147228 204.383 > 13 17 Tl 0.79158159951132 0.18750000000000 0.34919440754136 204.383 > 17 18 Tl 0.79158159951132 0.43750000000000 0.34919440754136 204.383 > 17 19 Tl 0.79158159951132 0.68750000000000 0.34919440754136 204.383 > 17 20 Tl 0.79158159951132 0.93750000000000 0.34919440754136 204.383 > 17 21 Tl 0.20841840048868 0.06250000000000 0.65080559245864 204.383 > 21 22 Tl 0.20841840048868 0.31250000000000 0.65080559245864 204.383 > 21 23 Tl 0.20841840048868 0.56250000000000 0.65080559245864 204.383 > 21 24 Tl 0.20841840048868 0.81250000000000 0.65080559245864 204.383 > 21 25 Tl 0.29158159951132 0.18750000000000 0.15080559245864 204.383 > 25 26 Tl 0.29158159951132 0.43750000000000 0.15080559245864 204.383 > 25 27 Tl 0.29158159951132 0.68750000000000 0.15080559245864 204.383 > 25 28 Tl 0.29158159951132 0.93750000000000 0.15080559245864 204.383 > 25 29 Tl 0.70841840048868 0.06250000000000 0.84919440754136 204.383 > 29 30 Tl 0.70841840048868 0.31250000000000 0.84919440754136 204.383 > 29 31 Tl 0.70841840048868 0.56250000000000 0.84919440754136 204.383 > 29 32 Tl 0.70841840048868 0.81250000000000 0.84919440754136 204.383 > 29 33 Sn 0.95961219177332 0.06250000000000 0.11140693222401 118.710 > 33 34 Sn 0.95961219177332 0.31250000000000 0.11140693222401 118.710 > 33 35 Sn 0.95961219177332 0.56250000000000 0.11140693222401 118.710 > 33 36 Sn 0.95961219177332 0.81250000000000 0.11140693222401 118.710 > 33 37 Sn 0.04038780822668 0.18750000000000 0.88859306777599 118.710 > 37 38 Sn 0.04038780822668 0.43750000000000 0.88859306777599 118.710 > 37 39 Sn 0.04038780822668 0.68750000000000 0.88859306777599 118.710 > 37 40 Sn 0.04038780822668 0.93750000000000 0.88859306777599 118.710 > 37 41 Sn 0.45961219177332 0.06250000000000 0.38859306777599 118.710 > 41 42 Sn 0.45961219177332 0.31250000000000 0.38859306777599 118.710 > 41 43 Sn 0.45961219177332 0.56250000000000 0.38859306777599 118.710 > 41 44 Sn 0.45961219177332 0.81250000000000 0.38859306777599 118.710 > 41 45 Sn 0.54038780822668 0.18750000000000 0.61140693222401 118.710 > 45 46 Sn 0.54038780822668 0.43750000000000 0.61140693222401 118.710 > 45 47 Sn 0.54038780822668 0.68750000000000 0.61140693222401 118.710 > 45 48 Sn 0.54038780822668 0.93750000000000 0.61140693222401 118.710 > 45 49 O 0.89217746834251 0.18750000000000 0.00912463084625 15.999 > 49 50 O 0.89217746834251 0.43750000000000 0.00912463084625 15.999 > 49 51 O 0.89217746834251 0.68750000000000 0.00912463084625 15.999 > 49 52 O 0.89217746834251 0.93750000000000 0.00912463084625 15.999 > 49 53 O 0.10782253165749 0.06250000000000 0.99087536915375 15.999 > 53 54 O 0.10782253165749 0.31250000000000 0.99087536915375 15.999 > 53 55 O 0.10782253165749 0.56250000000000 0.99087536915375 15.999 > 53 56 O 0.10782253165749 0.81250000000000 0.99087536915375 15.999 > 53 57 O 0.39217746834251 0.18750000000000 0.49087536915375 15.999 > 57 58 O 0.39217746834251 0.43750000000000 0.49087536915375 15.999 > 57 59 O 0.39217746834251 0.68750000000000 0.49087536915375 15.999 > 57 60 O 0.39217746834251 0.93750000000000 0.49087536915375 15.999 > 57 61 O 0.60782253165749 0.06250000000000 0.50912463084625 15.999 > 61 62 O 0.60782253165749 0.31250000000000 0.50912463084625 15.999 > 61 63 O 0.60782253165749 0.56250000000000 0.50912463084625 15.999 > 61 64 O 0.60782253165749 0.81250000000000 0.50912463084625 15.999 > 61 65 O 0.54263806986301 0.18750000000000 0.30667508853573 15.999 > 65 66 O 0.54263806986301 0.43750000000000 0.30667508853573 15.999 > 65 67 O 0.54263806986301 0.68750000000000 0.30667508853573 15.999 > 65 68 O 0.54263806986301 0.93750000000000 0.30667508853573 15.999 > 65 69 O 0.45736193013699 0.06250000000000 0.69332491146427 15.999 > 69 70 O 0.45736193013699 0.31250000000000 0.69332491146427 15.999 > 69 71 O 0.45736193013699 0.56250000000000 0.69332491146427 15.999 > 69 72 O 0.45736193013699 0.81250000000000 0.69332491146427 15.999 > 69 73 O 0.04263806986301 0.18750000000000 0.19332491146427 15.999 > 73 74 O 0.04263806986301 0.43750000000000 0.19332491146427 15.999 > 73 75 O 0.04263806986301 0.68750000000000 0.19332491146427 15.999 > 73 76 O 0.04263806986301 0.93750000000000 0.19332491146427 15.999 > 73 77 O 0.95736193013699 0.06250000000000 0.80667508853573 15.999 > 77 78 O 0.95736193013699 0.31250000000000 0.80667508853573 15.999 > 77 79 O 0.95736193013699 0.56250000000000 0.80667508853573 15.999 > 77 80 O 0.95736193013699 0.81250000000000 0.80667508853573 15.999 > 77 81 O 0.78600888570185 0.06250000000000 0.19173573795207 15.999 > 81 82 O 0.78600888570185 0.31250000000000 0.19173573795207 15.999 > 81 83 O 0.78600888570185 0.56250000000000 0.19173573795207 15.999 > 81 84 O 0.78600888570185 0.81250000000000 0.19173573795207 15.999 > 81 85 O 0.21399111429815 0.18750000000000 0.80826426204793 15.999 > 85 86 O 0.21399111429815 0.43750000000000 0.80826426204793 15.999 > 85 87 O 0.21399111429815 0.68750000000000 0.80826426204793 15.999 > 85 88 O 0.21399111429815 0.93750000000000 0.80826426204793 15.999 > 85 89 O 0.28600888570185 0.06250000000000 0.30826426204793 15.999 > 89 90 O 0.28600888570185 0.31250000000000 0.30826426204793 15.999 > 89 91 O 0.28600888570185 0.56250000000000 0.30826426204793 15.999 > 89 92 O 0.28600888570185 0.81250000000000 0.30826426204793 15.999 > 89 93 O 0.71399111429815 0.18750000000000 0.69173573795207 15.999 > 93 94 O 0.71399111429815 0.43750000000000 0.69173573795207 15.999 > 93 95 O 0.71399111429815 0.68750000000000 0.69173573795207 15.999 > 93 96 O 0.71399111429815 0.93750000000000 0.69173573795207 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.7099881 0.0000000 0.0000000 0.0000000 9.1262722 0.0000000 0.0000000 0.0000000 7.4581924 -------------------------- Born effective charges -------------------------- 1 Tl 2.0423800 0.0000000 0.1885122 0.0000000 1.5889659 0.0000000 0.3987528 0.0000000 2.2002862 2 Tl 2.0423800 0.0000000 0.1885122 0.0000000 1.5889659 0.0000000 0.3987528 0.0000000 2.2002862 3 Tl 2.0423800 0.0000000 -0.1885122 0.0000000 1.5889659 0.0000000 -0.3987528 0.0000000 2.2002862 4 Tl 2.0423800 0.0000000 -0.1885122 0.0000000 1.5889659 0.0000000 -0.3987528 0.0000000 2.2002862 5 Tl 1.8423297 0.0000000 0.0085703 0.0000000 1.5798793 0.0000000 -0.1565326 0.0000000 2.4041195 6 Tl 1.8423297 0.0000000 0.0085703 0.0000000 1.5798793 0.0000000 -0.1565326 0.0000000 2.4041195 7 Tl 1.8423297 0.0000000 -0.0085703 0.0000000 1.5798793 0.0000000 0.1565326 0.0000000 2.4041195 8 Tl 1.8423297 0.0000000 -0.0085703 0.0000000 1.5798793 0.0000000 0.1565326 0.0000000 2.4041195 9 Sn 3.8812746 0.0000000 -0.2393136 0.0000000 4.4896958 0.0000000 -0.3536896 0.0000000 3.7272008 10 Sn 3.8812746 0.0000000 -0.2393136 0.0000000 4.4896958 0.0000000 -0.3536896 0.0000000 3.7272008 11 Sn 3.8812746 0.0000000 0.2393136 0.0000000 4.4896958 0.0000000 0.3536896 0.0000000 3.7272008 12 Sn 3.8812746 0.0000000 0.2393136 0.0000000 4.4896958 0.0000000 0.3536896 0.0000000 3.7272008 13 O -2.2779228 0.0000000 0.0525050 0.0000000 -2.5037542 0.0000000 0.1356573 0.0000000 -2.7006920 14 O -2.2779228 0.0000000 0.0525050 0.0000000 -2.5037542 0.0000000 0.1356573 0.0000000 -2.7006920 15 O -2.2779228 0.0000000 -0.0525050 0.0000000 -2.5037542 0.0000000 -0.1356573 0.0000000 -2.7006920 16 O -2.2779228 0.0000000 -0.0525050 0.0000000 -2.5037542 0.0000000 -0.1356573 0.0000000 -2.7006920 17 O -2.9130159 0.0000000 0.3543274 0.0000000 -2.0544214 0.0000000 0.2919974 0.0000000 -2.5605698 18 O -2.9130159 0.0000000 0.3543274 0.0000000 -2.0544214 0.0000000 0.2919974 0.0000000 -2.5605698 19 O -2.9130159 0.0000000 -0.3543274 0.0000000 -2.0544214 0.0000000 -0.2919974 0.0000000 -2.5605698 20 O -2.9130159 0.0000000 -0.3543274 0.0000000 -2.0544214 0.0000000 -0.2919974 0.0000000 -2.5605698 21 O -2.5750455 0.0000000 -0.3502656 0.0000000 -3.1003654 0.0000000 -0.4635254 0.0000000 -3.0703447 22 O -2.5750455 0.0000000 -0.3502656 0.0000000 -3.1003654 0.0000000 -0.4635254 0.0000000 -3.0703447 23 O -2.5750455 0.0000000 0.3502656 0.0000000 -3.1003654 0.0000000 0.4635254 0.0000000 -3.0703447 24 O -2.5750455 0.0000000 0.3502656 0.0000000 -3.1003654 0.0000000 0.4635254 0.0000000 -3.0703447 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 15 4 ] 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: 0.56, Number of G-points: 293, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.764 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 0.900 ( 0.000 0.000 0.000) 0.000 0.902 ( 0.000 0.000 0.000) 0.000 0.955 ( 0.000 0.000 0.000) 0.000 0.982 ( 0.000 0.000 0.000) 0.000 1.012 ( 0.000 0.000 0.000) 0.000 1.067 ( 0.000 0.000 0.000) 0.000 1.096 ( 0.000 0.000 0.000) 0.000 1.152 ( 0.000 0.000 0.000) 0.000 1.219 ( 0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.779 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.830 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 6.975 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.256 ( 0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.310 ( 0.000 0.000 0.000) 0.000 9.187 ( 0.000 0.000 0.000) 0.000 9.196 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.484 ( 0.000 0.000 0.000) 0.000 10.484 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.236 ( 0.000 0.000 0.000) 0.000 11.601 ( 0.000 0.000 0.000) 0.000 12.159 ( 0.000 0.000 0.000) 0.000 12.287 ( 0.000 0.000 0.000) 0.000 12.312 ( 0.000 0.000 0.000) 0.000 12.355 ( 0.000 0.000 0.000) 0.000 12.602 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 13.029 ( 0.000 0.000 0.000) 0.000 13.070 ( 0.000 0.000 0.000) 0.000 13.129 ( 0.000 0.000 0.000) 0.000 13.212 ( 0.000 0.000 0.000) 0.000 14.166 ( 0.000 0.000 0.000) 0.000 14.557 ( 0.000 0.000 0.000) 0.000 15.145 ( 0.000 0.000 0.000) 0.000 15.148 ( 0.000 0.000 0.000) 0.000 15.276 ( 0.000 0.000 0.000) 0.000 16.651 ( 0.000 0.000 0.000) 0.000 16.669 ( 0.000 0.000 0.000) 0.000 16.728 ( 0.000 0.000 0.000) 0.000 16.820 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.203 ( 9.832 0.000 0.000) 9.832 0.260 ( 12.856 0.000 0.000) 12.856 0.347 ( 17.884 0.000 0.000) 17.884 0.833 ( -5.595 0.000 0.000) 5.595 0.839 ( 3.513 0.000 0.000) 3.513 0.913 ( 1.630 0.000 0.000) 1.630 0.948 ( 0.058 0.000 0.000) 0.058 0.987 ( 7.309 0.000 0.000) 7.309 1.003 ( 1.260 0.000 0.000) 1.260 1.014 ( 0.221 0.000 0.000) 0.221 1.066 ( 0.004 0.000 0.000) 0.004 1.087 ( -0.727 0.000 0.000) 0.727 1.164 ( 0.951 0.000 0.000) 0.951 1.197 ( -1.631 0.000 0.000) 1.631 1.213 ( -0.529 0.000 0.000) 0.529 1.535 ( 1.224 0.000 0.000) 1.224 1.585 ( -5.009 0.000 0.000) 5.009 1.733 ( -4.746 0.000 0.000) 4.746 1.750 ( 0.431 0.000 0.000) 0.431 1.761 ( -8.444 0.000 0.000) 8.444 1.782 ( -0.325 0.000 0.000) 0.325 2.051 ( -14.972 0.000 0.000) 14.972 2.164 ( -0.831 0.000 0.000) 0.831 2.239 ( -4.457 0.000 0.000) 4.457 2.670 ( 3.088 0.000 0.000) 3.088 2.722 ( 6.450 0.000 0.000) 6.450 2.872 ( -3.297 0.000 0.000) 3.297 3.050 ( -3.205 0.000 0.000) 3.205 3.323 ( 0.040 0.000 0.000) 0.040 3.327 ( -0.038 0.000 0.000) 0.038 3.714 ( 6.685 0.000 0.000) 6.685 3.879 ( 2.880 0.000 0.000) 2.880 3.999 ( 2.605 0.000 0.000) 2.605 4.098 ( 1.157 0.000 0.000) 1.157 5.794 ( 2.120 0.000 0.000) 2.120 5.921 ( -1.017 0.000 0.000) 1.017 6.978 ( 1.752 0.000 0.000) 1.752 7.019 ( 3.941 0.000 0.000) 3.941 7.090 ( 0.651 0.000 0.000) 0.651 7.156 ( -0.992 0.000 0.000) 0.992 7.262 ( 0.513 0.000 0.000) 0.513 7.288 ( -0.192 0.000 0.000) 0.192 7.292 ( -1.332 0.000 0.000) 1.332 7.564 ( -4.307 0.000 0.000) 4.307 9.195 ( 2.293 0.000 0.000) 2.293 9.346 ( 11.568 0.000 0.000) 11.568 9.363 ( 0.533 0.000 0.000) 0.533 9.408 ( -0.517 0.000 0.000) 0.517 9.451 ( -3.218 0.000 0.000) 3.218 10.370 ( -11.607 0.000 0.000) 11.607 11.233 ( 0.034 0.000 0.000) 0.034 11.236 ( -0.034 0.000 0.000) 0.034 11.619 ( 1.892 0.000 0.000) 1.892 12.092 ( -15.972 0.000 0.000) 15.972 12.316 ( 0.403 0.000 0.000) 0.403 12.351 ( -0.404 0.000 0.000) 0.404 12.476 ( 0.127 0.000 0.000) 0.127 12.899 ( -12.322 0.000 0.000) 12.322 13.033 ( 0.389 0.000 0.000) 0.389 13.034 ( 18.339 0.000 0.000) 18.339 13.066 ( -0.385 0.000 0.000) 0.385 13.447 ( 12.587 0.000 0.000) 12.587 13.647 ( -0.705 0.000 0.000) 0.705 14.122 ( -4.704 0.000 0.000) 4.704 15.146 ( -0.084 0.000 0.000) 0.084 15.146 ( 0.125 0.000 0.000) 0.125 15.341 ( 6.281 0.000 0.000) 6.281 15.834 ( -5.256 0.000 0.000) 5.256 16.661 ( -0.104 0.000 0.000) 0.104 16.667 ( -0.175 0.000 0.000) 0.175 16.738 ( 0.886 0.000 0.000) 0.886 16.809 ( -1.004 0.000 0.000) 1.004 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 11.529 0.000 0.000) 11.529 0.497 ( 11.180 0.000 0.000) 11.180 0.616 ( -2.047 0.000 0.000) 2.047 0.693 ( -8.659 0.000 0.000) 8.659 0.772 ( 4.955 0.000 0.000) 4.955 0.920 ( -2.637 0.000 0.000) 2.637 1.019 ( 0.310 0.000 0.000) 0.310 1.019 ( 0.178 0.000 0.000) 0.178 1.046 ( 5.921 0.000 0.000) 5.921 1.068 ( 0.177 0.000 0.000) 0.177 1.074 ( -0.496 0.000 0.000) 0.496 1.116 ( 2.167 0.000 0.000) 2.167 1.183 ( 0.948 0.000 0.000) 0.948 1.200 ( -0.772 0.000 0.000) 0.772 1.275 ( 8.857 0.000 0.000) 8.857 1.460 ( -8.356 0.000 0.000) 8.356 1.546 ( -6.869 0.000 0.000) 6.869 1.585 ( -1.224 0.000 0.000) 1.224 1.618 ( -0.423 0.000 0.000) 0.423 1.761 ( 0.625 0.000 0.000) 0.625 1.773 ( -0.563 0.000 0.000) 0.563 1.782 ( -11.950 0.000 0.000) 11.950 2.154 ( 0.115 0.000 0.000) 0.115 2.174 ( -2.021 0.000 0.000) 2.021 2.731 ( 3.219 0.000 0.000) 3.219 2.800 ( -3.750 0.000 0.000) 3.750 2.846 ( 6.178 0.000 0.000) 6.178 2.962 ( -5.465 0.000 0.000) 5.465 3.324 ( 0.063 0.000 0.000) 0.063 3.326 ( -0.062 0.000 0.000) 0.062 3.845 ( 5.524 0.000 0.000) 5.524 3.907 ( -0.696 0.000 0.000) 0.696 4.063 ( 3.346 0.000 0.000) 3.346 4.106 ( -0.789 0.000 0.000) 0.789 5.844 ( 2.693 0.000 0.000) 2.693 5.891 ( -2.019 0.000 0.000) 2.019 7.028 ( 3.078 0.000 0.000) 3.078 7.072 ( -0.203 0.000 0.000) 0.203 7.108 ( 1.140 0.000 0.000) 1.140 7.132 ( -1.314 0.000 0.000) 1.314 7.273 ( 0.550 0.000 0.000) 0.550 7.283 ( -0.388 0.000 0.000) 0.388 7.309 ( 4.604 0.000 0.000) 4.604 7.444 ( -7.500 0.000 0.000) 7.500 9.268 ( 4.770 0.000 0.000) 4.770 9.367 ( -5.026 0.000 0.000) 5.026 9.377 ( 0.854 0.000 0.000) 0.854 9.394 ( -0.844 0.000 0.000) 0.844 9.653 ( 19.116 0.000 0.000) 19.116 10.050 ( -19.835 0.000 0.000) 19.835 11.234 ( 0.055 0.000 0.000) 0.055 11.235 ( -0.055 0.000 0.000) 0.055 11.681 ( 4.787 0.000 0.000) 4.787 11.824 ( -10.312 0.000 0.000) 10.312 12.327 ( 0.653 0.000 0.000) 0.653 12.340 ( -0.654 0.000 0.000) 0.654 12.539 ( 5.542 0.000 0.000) 5.542 12.686 ( -9.304 0.000 0.000) 9.304 13.044 ( 0.628 0.000 0.000) 0.628 13.056 ( -0.625 0.000 0.000) 0.625 13.338 ( 12.398 0.000 0.000) 12.398 13.516 ( -5.421 0.000 0.000) 5.421 13.763 ( 11.737 0.000 0.000) 11.737 13.980 ( -9.573 0.000 0.000) 9.573 15.146 ( 0.121 0.000 0.000) 0.121 15.148 ( 0.015 0.000 0.000) 0.015 15.503 ( 9.606 0.000 0.000) 9.606 15.691 ( -8.954 0.000 0.000) 8.954 16.660 ( 0.028 0.000 0.000) 0.028 16.663 ( -0.198 0.000 0.000) 0.198 16.759 ( 1.271 0.000 0.000) 1.271 16.785 ( -1.343 0.000 0.000) 1.343 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.274 ( 0.000 13.299 0.000) 13.299 0.308 ( 0.000 16.391 0.000) 16.391 0.758 ( 0.000 14.117 0.000) 14.117 0.805 ( 0.000 18.535 0.000) 18.535 0.879 ( 0.000 -1.510 0.000) 1.510 0.887 ( 0.000 -0.560 0.000) 0.560 0.966 ( 0.000 3.113 0.000) 3.113 1.040 ( 0.000 12.160 0.000) 12.160 1.064 ( 0.000 3.704 0.000) 3.704 1.135 ( 0.000 9.373 0.000) 9.373 1.160 ( 0.000 10.897 0.000) 10.897 1.208 ( 0.000 9.491 0.000) 9.491 1.257 ( 0.000 4.000 0.000) 4.000 1.271 ( 0.000 10.051 0.000) 10.051 1.312 ( 0.000 8.504 0.000) 8.504 1.506 ( 0.000 2.309 0.000) 2.309 1.680 ( 0.000 4.339 0.000) 4.339 1.766 ( 0.000 -1.099 0.000) 1.099 1.860 ( 0.000 2.632 0.000) 2.632 2.017 ( 0.000 15.421 0.000) 15.421 2.176 ( 0.000 1.828 0.000) 1.828 2.233 ( 0.000 29.877 0.000) 29.877 2.262 ( 0.000 0.241 0.000) 0.241 2.318 ( 0.000 6.654 0.000) 6.654 2.624 ( 0.000 -0.139 0.000) 0.139 2.677 ( 0.000 9.455 0.000) 9.455 2.824 ( 0.000 -1.914 0.000) 1.914 3.085 ( 0.000 1.160 0.000) 1.160 3.368 ( 0.000 2.027 0.000) 2.027 3.580 ( 0.000 5.867 0.000) 5.867 3.707 ( 0.000 29.477 0.000) 29.477 3.710 ( 0.000 23.080 0.000) 23.080 3.839 ( 0.000 -0.004 0.000) 0.004 4.066 ( 0.000 -1.481 0.000) 1.481 5.749 ( 0.000 -2.087 0.000) 2.087 5.911 ( 0.000 -1.864 0.000) 1.864 6.859 ( 0.000 -6.227 0.000) 6.227 6.892 ( 0.000 -8.366 0.000) 8.366 6.940 ( 0.000 -1.897 0.000) 1.897 7.178 ( 0.000 -4.137 0.000) 4.137 7.391 ( 0.000 15.989 0.000) 15.989 7.490 ( 0.000 14.263 0.000) 14.263 7.555 ( 0.000 18.843 0.000) 18.843 8.658 ( 0.000 -1.739 0.000) 1.739 9.105 ( 0.000 -8.001 0.000) 8.001 9.137 ( 0.000 -2.240 0.000) 2.240 9.321 ( 0.000 -5.012 0.000) 5.012 9.399 ( 0.000 -7.450 0.000) 7.450 10.390 ( 0.000 14.381 0.000) 14.381 10.451 ( 0.000 -1.952 0.000) 1.952 11.133 ( 0.000 -9.941 0.000) 9.941 11.197 ( 0.000 -4.807 0.000) 4.807 11.554 ( 0.000 -4.332 0.000) 4.332 12.178 ( 0.000 -6.542 0.000) 6.542 12.238 ( 0.000 -10.875 0.000) 10.875 12.266 ( 0.000 10.361 0.000) 10.361 12.585 ( 0.000 -21.673 0.000) 21.673 12.631 ( 0.000 2.262 0.000) 2.262 12.682 ( 0.000 -0.034 0.000) 0.034 12.959 ( 0.000 -12.258 0.000) 12.258 13.293 ( 0.000 17.016 0.000) 17.016 13.603 ( 0.000 24.429 0.000) 24.429 13.743 ( 0.000 22.457 0.000) 22.457 14.186 ( 0.000 2.990 0.000) 2.990 14.541 ( 0.000 -1.270 0.000) 1.270 15.136 ( 0.000 -1.087 0.000) 1.087 15.138 ( 0.000 -0.502 0.000) 0.502 15.214 ( 0.000 -5.439 0.000) 5.439 16.620 ( 0.000 -2.991 0.000) 2.991 16.639 ( 0.000 -2.775 0.000) 2.775 16.690 ( 0.000 -3.547 0.000) 3.547 16.782 ( 0.000 -3.450 0.000) 3.450 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 4.473 13.349 0.000) 14.078 0.410 ( 11.236 10.429 0.000) 15.330 0.817 ( 3.253 16.552 0.000) 16.869 0.846 ( 3.656 11.459 0.000) 12.028 0.890 ( 0.350 -0.268 0.000) 0.441 0.941 ( -0.687 0.821 0.000) 1.070 0.955 ( 6.045 -1.113 0.000) 6.147 1.018 ( -1.340 12.267 0.000) 12.340 1.092 ( 2.449 6.450 0.000) 6.899 1.147 ( 0.988 8.040 0.000) 8.100 1.155 ( -0.437 11.589 0.000) 11.597 1.196 ( -1.855 6.035 0.000) 6.314 1.229 ( -0.677 7.443 0.000) 7.473 1.286 ( 1.083 10.451 0.000) 10.507 1.309 ( -0.320 8.516 0.000) 8.522 1.536 ( 2.896 1.676 0.000) 3.346 1.622 ( -5.203 4.019 0.000) 6.574 1.698 ( -5.825 -1.676 0.000) 6.061 1.797 ( -8.193 3.964 0.000) 9.101 1.931 ( -7.897 4.553 0.000) 9.115 2.169 ( -0.553 1.794 0.000) 1.877 2.193 ( -2.024 33.530 0.000) 33.591 2.195 ( -4.045 11.918 0.000) 12.586 2.263 ( -3.847 11.437 0.000) 12.067 2.650 ( 2.446 -0.642 0.000) 2.529 2.735 ( 4.282 4.254 0.000) 6.036 2.813 ( -1.995 -3.294 0.000) 3.851 3.005 ( -4.383 -1.304 0.000) 4.572 3.583 ( 8.184 6.705 0.000) 10.579 3.618 ( 2.412 14.035 0.000) 14.241 3.741 ( 3.504 14.153 0.000) 14.580 3.762 ( 6.545 13.377 0.000) 14.893 3.889 ( 4.893 0.451 0.000) 4.914 4.079 ( 0.958 -1.521 0.000) 1.798 5.769 ( 1.996 -2.103 0.000) 2.900 5.900 ( -1.067 -1.886 0.000) 2.167 6.882 ( 2.075 -6.592 0.000) 6.911 6.922 ( 1.292 -5.350 0.000) 5.504 6.977 ( 3.949 -6.222 0.000) 7.369 7.161 ( -1.654 -4.664 0.000) 4.948 7.435 ( 4.581 17.215 0.000) 17.814 7.496 ( 0.527 15.240 0.000) 15.249 7.546 ( -0.750 19.890 0.000) 19.904 8.337 ( -26.932 26.250 0.000) 37.608 9.115 ( 0.791 -5.164 0.000) 5.224 9.160 ( 5.224 -9.907 0.000) 11.200 9.314 ( -0.993 -6.010 0.000) 6.092 9.377 ( -2.019 -6.852 0.000) 7.143 9.919 ( -15.244 32.267 0.000) 35.687 10.357 ( -9.377 0.184 0.000) 9.379 11.205 ( 2.000 -5.674 0.000) 6.016 11.206 ( 0.829 -4.093 0.000) 4.176 11.540 ( 0.722 -5.553 0.000) 5.599 11.977 ( -14.601 -7.308 0.000) 16.328 12.262 ( 1.161 -9.695 0.000) 9.764 12.319 ( 1.144 0.706 0.000) 1.345 12.544 ( -2.005 6.928 0.000) 7.212 12.547 ( -1.159 -18.031 0.000) 18.069 12.900 ( 11.544 -6.250 0.000) 13.127 13.293 ( 10.207 -0.906 0.000) 10.247 13.323 ( 3.072 16.044 0.000) 16.335 13.435 ( -7.076 2.672 0.000) 7.564 13.768 ( 4.885 22.441 0.000) 22.967 14.163 ( -2.591 4.741 0.000) 5.402 15.078 ( 26.356 -27.104 0.000) 37.805 15.133 ( -0.111 -1.131 0.000) 1.136 15.143 ( 2.247 -2.830 0.000) 3.614 15.257 ( 3.950 -7.202 0.000) 8.214 16.623 ( 0.233 -3.118 0.000) 3.126 16.637 ( -0.193 -2.795 0.000) 2.802 16.699 ( 0.893 -3.497 0.000) 3.609 16.772 ( -0.918 -3.368 0.000) 3.491 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 7.881 9.137 0.000) 12.066 0.604 ( 2.620 10.814 0.000) 11.126 0.744 ( -2.214 0.401 0.000) 2.250 0.843 ( -5.409 4.610 0.000) 7.107 0.954 ( 6.198 17.551 0.000) 18.613 1.004 ( 0.378 11.368 0.000) 11.375 1.013 ( 3.714 1.922 0.000) 4.181 1.057 ( 0.610 -1.047 0.000) 1.212 1.126 ( 0.586 9.310 0.000) 9.329 1.142 ( -0.817 10.459 0.000) 10.491 1.197 ( 4.576 8.023 0.000) 9.236 1.222 ( 4.221 6.686 0.000) 7.906 1.243 ( 1.548 7.213 0.000) 7.378 1.293 ( -1.799 7.794 0.000) 7.999 1.321 ( 4.337 7.046 0.000) 8.273 1.488 ( -9.106 3.261 0.000) 9.672 1.572 ( -5.712 -1.532 0.000) 5.914 1.578 ( -8.765 3.899 0.000) 9.593 1.616 ( 5.374 2.150 0.000) 5.788 1.758 ( -8.932 0.813 0.000) 8.969 2.152 ( -0.622 16.770 0.000) 16.782 2.155 ( -0.701 11.825 0.000) 11.845 2.179 ( 0.537 23.954 0.000) 23.960 2.206 ( -2.072 17.074 0.000) 17.199 2.700 ( 2.668 -1.670 0.000) 3.147 2.758 ( -3.129 -2.585 0.000) 4.059 2.825 ( 4.812 0.082 0.000) 4.813 2.919 ( -4.633 -1.981 0.000) 5.039 3.642 ( 0.712 23.071 0.000) 23.082 3.644 ( 0.437 23.429 0.000) 23.433 3.825 ( 3.755 2.797 0.000) 4.682 3.854 ( 1.316 -0.195 0.000) 1.330 4.009 ( 5.766 -1.176 0.000) 5.884 4.080 ( -1.464 -1.562 0.000) 2.141 5.819 ( 2.789 -2.125 0.000) 3.506 5.869 ( -2.146 -1.990 0.000) 2.926 6.922 ( 1.593 -6.354 0.000) 6.551 6.936 ( 0.164 -4.870 0.000) 4.873 7.055 ( 3.532 -7.035 0.000) 7.872 7.117 ( -2.781 -5.752 0.000) 6.390 7.507 ( 0.588 16.742 0.000) 16.752 7.518 ( -0.180 15.425 0.000) 15.426 7.593 ( 10.052 26.671 0.000) 28.502 7.874 ( -18.676 31.013 0.000) 36.202 9.175 ( 4.440 -7.256 0.000) 8.507 9.264 ( -4.082 -7.537 0.000) 8.572 9.274 ( 5.109 -11.051 0.000) 12.175 9.339 ( -1.947 -7.304 0.000) 7.559 9.876 ( 7.248 19.434 0.000) 20.742 10.111 ( -14.352 7.425 0.000) 16.159 11.221 ( 0.506 -2.961 0.000) 3.004 11.223 ( 0.311 -3.040 0.000) 3.056 11.589 ( 4.358 -6.975 0.000) 8.224 11.725 ( -9.998 -7.053 0.000) 12.235 12.289 ( 1.504 -9.196 0.000) 9.319 12.315 ( -1.029 -5.588 0.000) 5.682 12.528 ( -0.128 3.565 0.000) 3.568 12.532 ( -0.507 -6.601 0.000) 6.621 13.073 ( 6.622 -1.504 0.000) 6.791 13.201 ( -7.287 11.088 0.000) 13.268 13.405 ( 4.537 8.376 0.000) 9.526 13.461 ( -0.169 -4.991 0.000) 4.994 13.918 ( 8.921 15.025 0.000) 17.474 14.074 ( -6.489 9.039 0.000) 11.127 15.134 ( 0.147 -1.083 0.000) 1.093 15.136 ( -0.057 -0.967 0.000) 0.968 15.347 ( 4.345 -12.544 0.000) 13.275 15.373 ( 3.762 -22.021 0.000) 22.340 16.627 ( 0.223 -3.025 0.000) 3.033 16.632 ( -0.265 -2.870 0.000) 2.882 16.722 ( 1.379 -3.386 0.000) 3.657 16.749 ( -1.339 -3.289 0.000) 3.551 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.000 12.576 0.000) 12.576 0.635 ( 0.000 13.748 0.000) 13.748 0.874 ( 0.000 2.156 0.000) 2.156 0.879 ( 0.000 7.373 0.000) 7.373 0.879 ( 0.000 -0.240 0.000) 0.240 0.941 ( 0.000 0.496 0.000) 0.496 1.161 ( 0.000 6.095 0.000) 6.095 1.291 ( 0.000 6.788 0.000) 6.788 1.326 ( 0.000 3.032 0.000) 3.032 1.337 ( 0.000 15.981 0.000) 15.981 1.393 ( 0.000 24.157 0.000) 24.157 1.470 ( 0.000 16.681 0.000) 16.681 1.478 ( 0.000 13.924 0.000) 13.924 1.510 ( 0.000 12.135 0.000) 12.135 1.533 ( 0.000 12.191 0.000) 12.191 1.624 ( 0.000 9.470 0.000) 9.470 1.738 ( 0.000 -1.245 0.000) 1.245 1.816 ( 0.000 8.344 0.000) 8.344 1.913 ( 0.000 1.978 0.000) 1.978 2.106 ( 0.000 -0.917 0.000) 0.917 2.267 ( 0.000 7.108 0.000) 7.108 2.323 ( 0.000 5.414 0.000) 5.414 2.413 ( 0.000 -0.433 0.000) 0.433 2.660 ( 0.000 4.472 0.000) 4.472 2.785 ( 0.000 10.879 0.000) 10.879 2.797 ( 0.000 -0.510 0.000) 0.510 3.245 ( 0.000 39.438 0.000) 39.438 3.309 ( 0.000 28.511 0.000) 28.511 3.436 ( 0.000 4.964 0.000) 4.964 3.592 ( 0.000 0.882 0.000) 0.882 3.868 ( 0.000 4.594 0.000) 4.594 4.038 ( 0.000 -0.236 0.000) 0.236 4.443 ( 0.000 41.089 0.000) 41.089 4.452 ( 0.000 40.740 0.000) 40.740 5.695 ( 0.000 -2.849 0.000) 2.849 5.864 ( 0.000 -2.351 0.000) 2.351 6.713 ( 0.000 -9.020 0.000) 9.020 6.763 ( 0.000 -2.972 0.000) 2.972 6.893 ( 0.000 -2.315 0.000) 2.315 7.076 ( 0.000 -5.888 0.000) 5.888 7.726 ( 0.000 15.095 0.000) 15.095 7.744 ( 0.000 8.144 0.000) 8.144 7.998 ( 0.000 21.898 0.000) 21.898 8.505 ( 0.000 -12.721 0.000) 12.721 8.928 ( 0.000 -7.321 0.000) 7.321 9.092 ( 0.000 -16.879 0.000) 16.879 9.191 ( 0.000 7.024 0.000) 7.024 9.230 ( 0.000 -7.708 0.000) 7.708 10.465 ( 0.000 3.818 0.000) 3.818 10.745 ( 0.000 18.188 0.000) 18.188 10.860 ( 0.000 -15.281 0.000) 15.281 11.018 ( 0.000 -11.314 0.000) 11.314 11.440 ( 0.000 -6.053 0.000) 6.053 11.953 ( 0.000 -15.506 0.000) 15.506 12.055 ( 0.000 -7.456 0.000) 7.456 12.190 ( 0.000 -16.511 0.000) 16.511 12.571 ( 0.000 18.185 0.000) 18.185 12.687 ( 0.000 3.548 0.000) 3.548 12.766 ( 0.000 9.653 0.000) 9.653 12.779 ( 0.000 -4.903 0.000) 4.903 13.635 ( 0.000 14.690 0.000) 14.690 14.052 ( 0.000 18.515 0.000) 18.515 14.193 ( 0.000 19.908 0.000) 19.908 14.315 ( 0.000 8.972 0.000) 8.972 14.529 ( 0.000 0.866 0.000) 0.866 15.087 ( 0.000 -6.007 0.000) 6.007 15.111 ( 0.000 -1.067 0.000) 1.067 15.135 ( 0.000 0.549 0.000) 0.549 16.535 ( 0.000 -5.139 0.000) 5.139 16.564 ( 0.000 -4.259 0.000) 4.259 16.597 ( 0.000 -5.024 0.000) 5.024 16.697 ( 0.000 -4.331 0.000) 4.331 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 8.249 10.298 0.000) 13.194 0.650 ( 1.637 12.908 0.000) 13.011 0.889 ( 1.396 0.354 0.000) 1.440 0.894 ( 0.056 4.786 0.000) 4.787 0.947 ( 6.099 1.662 0.000) 6.322 0.998 ( 5.954 3.881 0.000) 7.107 1.125 ( -2.665 7.399 0.000) 7.864 1.284 ( -2.545 3.208 0.000) 4.095 1.285 ( -0.428 7.649 0.000) 7.661 1.320 ( -1.816 14.006 0.000) 14.123 1.422 ( 0.924 20.873 0.000) 20.894 1.464 ( 0.718 12.571 0.000) 12.591 1.466 ( -0.356 16.599 0.000) 16.603 1.522 ( -1.482 11.201 0.000) 11.299 1.543 ( 1.462 13.374 0.000) 13.454 1.645 ( 1.515 8.899 0.000) 9.027 1.679 ( -4.391 0.708 0.000) 4.448 1.749 ( -5.766 7.527 0.000) 9.482 1.893 ( -3.281 4.395 0.000) 5.485 1.962 ( -11.695 1.710 0.000) 11.819 2.262 ( -0.425 7.143 0.000) 7.155 2.278 ( -2.218 4.543 0.000) 5.055 2.496 ( 5.305 0.554 0.000) 5.333 2.673 ( 1.077 3.689 0.000) 3.843 2.741 ( -3.459 3.595 0.000) 4.989 2.787 ( -1.556 3.704 0.000) 4.017 3.225 ( -1.499 39.220 0.000) 39.248 3.236 ( -3.357 32.032 0.000) 32.208 3.582 ( 9.231 1.819 0.000) 9.409 3.648 ( 4.622 0.518 0.000) 4.651 3.910 ( 3.799 4.193 0.000) 5.658 4.048 ( 0.603 -0.018 0.000) 0.603 4.446 ( 0.289 40.821 0.000) 40.822 4.455 ( 0.188 40.470 0.000) 40.471 5.716 ( 2.103 -2.696 0.000) 3.419 5.854 ( -1.072 -2.321 0.000) 2.557 6.753 ( 3.360 -9.284 0.000) 9.873 6.778 ( 1.352 -3.577 0.000) 3.824 6.902 ( 0.932 -2.617 0.000) 2.778 7.053 ( -2.252 -6.000 0.000) 6.409 7.757 ( 2.667 13.703 0.000) 13.960 7.766 ( 1.887 8.972 0.000) 9.168 8.027 ( 3.376 23.152 0.000) 23.397 8.481 ( -3.070 -7.978 0.000) 8.548 8.955 ( 2.255 -7.863 0.000) 8.180 9.077 ( -1.563 -16.908 0.000) 16.980 9.122 ( -5.485 6.671 0.000) 8.636 9.207 ( -2.288 -7.536 0.000) 7.875 10.431 ( -3.174 7.012 0.000) 7.697 10.502 ( -13.348 22.604 0.000) 26.251 10.987 ( 5.159 -12.252 0.000) 13.294 11.036 ( 1.472 -11.429 0.000) 11.523 11.413 ( -1.139 -7.175 0.000) 7.265 11.804 ( -12.156 -11.048 0.000) 16.426 12.063 ( 0.398 -9.220 0.000) 9.229 12.151 ( -2.859 -13.637 0.000) 13.934 12.509 ( -0.519 9.960 0.000) 9.974 12.663 ( -2.196 4.180 0.000) 4.722 12.873 ( 9.014 6.076 0.000) 10.871 13.058 ( 16.587 -6.318 0.000) 17.749 13.640 ( 0.305 13.771 0.000) 13.774 13.817 ( -15.256 19.198 0.000) 24.522 14.214 ( 2.121 19.668 0.000) 19.782 14.324 ( 0.547 10.117 0.000) 10.132 14.783 ( 16.503 -5.513 0.000) 17.399 15.091 ( 0.380 -5.848 0.000) 5.860 15.116 ( 0.374 -2.219 0.000) 2.250 15.133 ( -0.229 0.437 0.000) 0.494 16.537 ( 0.260 -5.081 0.000) 5.087 16.561 ( -0.298 -4.352 0.000) 4.362 16.608 ( 1.104 -4.840 0.000) 4.964 16.689 ( -0.808 -4.278 0.000) 4.354 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 4.428 10.673 0.000) 11.555 0.781 ( 2.328 3.659 0.000) 4.337 0.864 ( 0.019 11.899 0.000) 11.899 0.906 ( -0.408 3.149 0.000) 3.175 1.049 ( 1.082 5.346 0.000) 5.454 1.061 ( 3.017 2.130 0.000) 3.693 1.222 ( 10.342 3.545 0.000) 10.932 1.250 ( -0.536 4.762 0.000) 4.792 1.259 ( -2.469 11.865 0.000) 12.120 1.304 ( 2.075 4.868 0.000) 5.291 1.404 ( -2.507 10.194 0.000) 10.498 1.447 ( -6.952 5.779 0.000) 9.040 1.462 ( 0.250 16.244 0.000) 16.245 1.498 ( -3.012 10.732 0.000) 11.147 1.527 ( 2.803 14.605 0.000) 14.871 1.625 ( -6.072 10.121 0.000) 11.802 1.630 ( 2.001 10.033 0.000) 10.230 1.715 ( 4.053 7.809 0.000) 8.798 1.730 ( -8.876 10.090 0.000) 13.438 1.808 ( -5.349 4.937 0.000) 7.279 2.255 ( -0.218 6.841 0.000) 6.845 2.255 ( -0.355 5.860 0.000) 5.871 2.588 ( 4.193 0.758 0.000) 4.261 2.667 ( -3.918 1.271 0.000) 4.119 2.701 ( 1.863 2.647 0.000) 3.236 2.745 ( -2.433 2.716 0.000) 3.646 3.199 ( -0.663 37.106 0.000) 37.112 3.201 ( -0.773 38.962 0.000) 38.970 3.716 ( 3.743 -1.506 0.000) 4.035 3.726 ( 2.337 -0.903 0.000) 2.505 3.991 ( 3.853 2.891 0.000) 4.817 4.044 ( -1.342 1.081 0.000) 1.723 4.453 ( 0.350 40.204 0.000) 40.205 4.457 ( -0.037 40.039 0.000) 40.039 5.768 ( 2.928 -2.454 0.000) 3.821 5.821 ( -2.250 -2.318 0.000) 3.231 6.806 ( 1.150 -5.144 0.000) 5.271 6.807 ( 1.409 -7.706 0.000) 7.834 6.935 ( 2.555 -4.335 0.000) 5.032 6.996 ( -3.312 -5.887 0.000) 6.755 7.799 ( 1.109 10.474 0.000) 10.532 7.800 ( 1.160 11.519 0.000) 11.577 8.150 ( 9.223 22.326 0.000) 24.156 8.353 ( -9.847 10.001 0.000) 14.035 8.987 ( 1.238 -9.672 0.000) 9.751 9.032 ( -2.835 -15.496 0.000) 15.753 9.080 ( 2.143 -2.998 0.000) 3.685 9.146 ( -3.668 -6.823 0.000) 7.747 10.343 ( -2.692 23.615 0.000) 23.768 10.361 ( -3.269 15.404 0.000) 15.747 11.050 ( 1.688 -12.700 0.000) 12.812 11.060 ( 0.602 -11.932 0.000) 11.947 11.435 ( 3.759 -8.584 0.000) 9.371 11.571 ( -10.084 -8.920 0.000) 13.463 12.075 ( 0.916 -10.254 0.000) 10.295 12.103 ( -1.971 -11.421 0.000) 11.590 12.542 ( 2.989 5.509 0.000) 6.268 12.607 ( -3.312 4.166 0.000) 5.322 13.068 ( 10.156 3.345 0.000) 10.693 13.220 ( -2.152 -3.584 0.000) 4.180 13.623 ( -2.605 16.266 0.000) 16.473 13.634 ( -1.133 12.207 0.000) 12.260 14.268 ( 3.082 16.948 0.000) 17.226 14.317 ( -1.526 13.181 0.000) 13.269 15.025 ( 7.563 -10.710 0.000) 13.112 15.096 ( -0.529 -8.058 0.000) 8.075 15.120 ( 0.068 -2.173 0.000) 2.175 15.126 ( -0.410 0.027 0.000) 0.411 16.544 ( 0.427 -4.879 0.000) 4.898 16.553 ( -0.456 -4.591 0.000) 4.613 16.636 ( 1.616 -4.498 0.000) 4.779 16.667 ( -1.397 -4.277 0.000) 4.499 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 2.572 0.000) 2.572 0.801 ( 0.000 13.093 0.000) 13.093 0.873 ( 0.000 -0.502 0.000) 0.502 0.944 ( 0.000 0.319 0.000) 0.319 1.020 ( 0.000 10.318 0.000) 10.318 1.061 ( 0.000 9.192 0.000) 9.192 1.276 ( 0.000 4.057 0.000) 4.057 1.362 ( 0.000 1.025 0.000) 1.025 1.415 ( 0.000 5.381 0.000) 5.381 1.649 ( 0.000 -0.682 0.000) 0.682 1.665 ( 0.000 14.492 0.000) 14.492 1.770 ( 0.000 13.866 0.000) 13.866 1.780 ( 0.000 11.574 0.000) 11.574 1.797 ( 0.000 10.655 0.000) 10.655 1.808 ( 0.000 15.498 0.000) 15.498 1.849 ( 0.000 11.263 0.000) 11.263 1.859 ( 0.000 19.502 0.000) 19.502 1.948 ( 0.000 2.279 0.000) 2.279 1.951 ( 0.000 2.893 0.000) 2.893 2.116 ( 0.000 3.665 0.000) 3.665 2.372 ( 0.000 -2.433 0.000) 2.433 2.415 ( 0.000 2.186 0.000) 2.186 2.429 ( 0.000 6.907 0.000) 6.907 2.796 ( 0.000 -4.122 0.000) 4.122 2.832 ( 0.000 5.123 0.000) 5.123 2.841 ( 0.000 13.012 0.000) 13.012 3.584 ( 0.000 9.770 0.000) 9.770 3.667 ( 0.000 7.058 0.000) 7.058 3.769 ( 0.000 8.479 0.000) 8.479 3.842 ( 0.000 8.795 0.000) 8.795 4.258 ( 0.000 28.754 0.000) 28.754 4.281 ( 0.000 35.365 0.000) 35.365 5.300 ( 0.000 41.091 0.000) 41.091 5.303 ( 0.000 40.832 0.000) 40.832 5.660 ( 0.000 0.821 0.000) 0.821 5.839 ( 0.000 0.968 0.000) 0.968 6.534 ( 0.000 -7.804 0.000) 7.804 6.743 ( 0.000 1.141 0.000) 1.141 6.863 ( 0.000 -0.135 0.000) 0.135 6.953 ( 0.000 -5.145 0.000) 5.145 7.775 ( 0.000 -4.322 0.000) 4.322 7.961 ( 0.000 7.314 0.000) 7.314 8.201 ( 0.000 -15.608 0.000) 15.608 8.291 ( 0.000 -0.467 0.000) 0.467 8.799 ( 0.000 -3.137 0.000) 3.137 8.857 ( 0.000 0.014 0.000) 0.014 9.126 ( 0.000 -1.978 0.000) 1.978 9.356 ( 0.000 7.674 0.000) 7.674 10.566 ( 0.000 -12.283 0.000) 12.283 10.578 ( 0.000 6.214 0.000) 6.214 10.797 ( 0.000 -9.234 0.000) 9.234 10.999 ( 0.000 1.935 0.000) 1.935 11.393 ( 0.000 5.098 0.000) 5.098 11.645 ( 0.000 -14.175 0.000) 14.175 11.835 ( 0.000 -13.497 0.000) 13.497 11.897 ( 0.000 -12.204 0.000) 12.204 12.772 ( 0.000 4.441 0.000) 4.441 12.797 ( 0.000 7.477 0.000) 7.477 12.975 ( 0.000 20.267 0.000) 20.267 13.056 ( 0.000 16.908 0.000) 16.908 13.868 ( 0.000 8.182 0.000) 8.182 14.329 ( 0.000 8.466 0.000) 8.466 14.497 ( 0.000 7.536 0.000) 7.536 14.507 ( 0.000 10.140 0.000) 10.140 14.608 ( 0.000 6.765 0.000) 6.765 14.993 ( 0.000 -3.128 0.000) 3.128 15.100 ( 0.000 0.004 0.000) 0.004 15.170 ( 0.000 2.574 0.000) 2.574 16.417 ( 0.000 -6.114 0.000) 6.114 16.475 ( 0.000 -4.171 0.000) 4.171 16.503 ( 0.000 -3.777 0.000) 3.777 16.619 ( 0.000 -3.061 0.000) 3.061 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 1.864 3.076 0.000) 3.596 0.826 ( 2.189 7.941 0.000) 8.237 0.893 ( 2.124 -0.147 0.000) 2.129 0.996 ( 3.579 5.337 0.000) 6.426 1.064 ( 4.179 8.695 0.000) 9.648 1.097 ( 5.088 5.788 0.000) 7.707 1.274 ( -2.420 5.953 0.000) 6.426 1.323 ( -1.207 1.391 0.000) 1.841 1.405 ( -0.829 5.185 0.000) 5.251 1.593 ( -5.037 0.262 0.000) 5.044 1.613 ( -5.339 11.910 0.000) 13.052 1.722 ( -6.397 7.676 0.000) 9.992 1.763 ( -0.066 11.530 0.000) 11.530 1.801 ( -0.626 15.155 0.000) 15.168 1.831 ( -0.629 13.582 0.000) 13.597 1.831 ( 2.376 13.424 0.000) 13.633 1.899 ( -2.626 7.332 0.000) 7.788 1.899 ( 2.599 15.764 0.000) 15.976 1.949 ( -1.635 3.741 0.000) 4.082 2.074 ( -3.428 7.396 0.000) 8.152 2.349 ( -0.601 1.282 0.000) 1.416 2.416 ( -1.266 6.099 0.000) 6.229 2.469 ( 3.604 -1.637 0.000) 3.958 2.720 ( -5.233 -2.599 0.000) 5.843 2.841 ( -0.036 12.548 0.000) 12.548 2.851 ( 0.229 5.344 0.000) 5.349 3.644 ( 5.106 7.893 0.000) 9.400 3.696 ( 2.575 6.517 0.000) 7.007 3.787 ( 1.501 9.238 0.000) 9.359 3.849 ( 0.359 9.374 0.000) 9.381 4.264 ( 0.579 28.408 0.000) 28.414 4.282 ( 0.051 33.886 0.000) 33.887 5.300 ( 0.062 41.023 0.000) 41.023 5.303 ( 0.018 40.760 0.000) 40.760 5.686 ( 2.416 0.999 0.000) 2.614 5.830 ( -0.996 1.043 0.000) 1.442 6.569 ( 3.251 -7.978 0.000) 8.615 6.737 ( -0.687 -0.373 0.000) 0.782 6.870 ( 0.609 -0.067 0.000) 0.613 6.935 ( -1.583 -4.333 0.000) 4.613 7.814 ( 3.709 -3.791 0.000) 5.303 7.963 ( 0.023 5.964 0.000) 5.964 8.204 ( 0.423 -15.556 0.000) 15.561 8.293 ( -0.127 -4.226 0.000) 4.228 8.822 ( 2.483 0.495 0.000) 2.532 8.878 ( 1.986 -0.101 0.000) 1.988 9.112 ( -1.335 -1.450 0.000) 1.971 9.301 ( -5.376 8.677 0.000) 10.208 10.594 ( 2.851 -9.983 0.000) 10.382 10.600 ( 2.310 8.278 0.000) 8.595 10.805 ( 0.621 -9.799 0.000) 9.818 10.993 ( -1.451 6.457 0.000) 6.618 11.290 ( -7.524 -0.740 0.000) 7.561 11.550 ( -8.713 -12.699 0.000) 15.401 11.837 ( 0.239 -13.121 0.000) 13.123 11.895 ( -0.539 -11.171 0.000) 11.184 12.721 ( -2.210 9.664 0.000) 9.914 12.779 ( -1.691 7.864 0.000) 8.044 13.113 ( 5.264 15.285 0.000) 16.166 13.121 ( 10.180 11.600 0.000) 15.434 13.865 ( -0.320 8.246 0.000) 8.252 14.134 ( -12.847 11.756 0.000) 17.414 14.520 ( 1.937 7.733 0.000) 7.972 14.541 ( 1.158 11.878 0.000) 11.935 14.741 ( 9.214 0.079 0.000) 9.214 14.985 ( -0.839 -3.523 0.000) 3.622 15.107 ( 0.675 0.327 0.000) 0.750 15.165 ( -0.442 2.446 0.000) 2.486 16.422 ( 0.496 -5.942 0.000) 5.963 16.469 ( -0.596 -4.376 0.000) 4.417 16.519 ( 1.492 -3.565 0.000) 3.864 16.612 ( -0.741 -3.011 0.000) 3.101 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 1.396 2.847 0.000) 3.171 0.858 ( 0.499 2.798 0.000) 2.842 0.961 ( 4.660 1.512 0.000) 4.900 1.035 ( -0.835 5.053 0.000) 5.122 1.156 ( 3.923 6.611 0.000) 7.687 1.193 ( -2.205 7.223 0.000) 7.552 1.272 ( 10.921 2.840 0.000) 11.285 1.359 ( 3.970 5.322 0.000) 6.640 1.392 ( -0.340 4.109 0.000) 4.123 1.473 ( -7.617 7.814 0.000) 10.912 1.480 ( -5.389 2.026 0.000) 5.757 1.537 ( -11.193 4.173 0.000) 11.946 1.773 ( 0.891 12.353 0.000) 12.385 1.789 ( -0.620 14.261 0.000) 14.275 1.827 ( 0.486 14.008 0.000) 14.016 1.853 ( -2.027 11.452 0.000) 11.630 1.875 ( 2.003 12.194 0.000) 12.357 1.912 ( -1.826 9.676 0.000) 9.846 1.952 ( 2.730 14.057 0.000) 14.320 2.008 ( -3.114 11.416 0.000) 11.833 2.356 ( 1.129 2.881 0.000) 3.094 2.385 ( -1.672 4.362 0.000) 4.672 2.541 ( 3.771 -2.955 0.000) 4.791 2.621 ( -4.555 -2.951 0.000) 5.427 2.841 ( 0.075 11.165 0.000) 11.165 2.846 ( -0.410 8.623 0.000) 8.632 3.737 ( 3.184 4.498 0.000) 5.511 3.745 ( 1.765 5.130 0.000) 5.425 3.814 ( 1.349 11.819 0.000) 11.896 3.843 ( -1.099 11.014 0.000) 11.069 4.276 ( 0.530 28.482 0.000) 28.487 4.282 ( -0.078 30.645 0.000) 30.645 5.302 ( 0.073 40.860 0.000) 40.860 5.303 ( -0.025 40.731 0.000) 40.731 5.744 ( 3.145 1.211 0.000) 3.371 5.798 ( -2.256 1.188 0.000) 2.550 6.643 ( 3.872 -7.315 0.000) 8.276 6.708 ( -2.448 -4.305 0.000) 4.952 6.884 ( 0.793 -0.330 0.000) 0.859 6.904 ( -1.324 -1.985 0.000) 2.386 7.897 ( 3.955 -1.085 0.000) 4.101 7.951 ( -1.504 2.906 0.000) 3.272 8.226 ( 1.952 -15.498 0.000) 15.621 8.271 ( -2.110 -12.072 0.000) 12.255 8.895 ( 4.107 5.268 0.000) 6.680 8.920 ( 1.559 0.799 0.000) 1.752 9.090 ( 0.154 1.702 0.000) 1.709 9.168 ( -7.056 9.042 0.000) 11.469 10.663 ( 3.165 -2.693 0.000) 4.156 10.663 ( 3.222 10.847 0.000) 11.315 10.817 ( 1.141 -8.221 0.000) 8.299 10.902 ( -6.893 9.102 0.000) 11.418 11.231 ( 2.551 -10.955 0.000) 11.248 11.358 ( -9.389 -11.219 0.000) 14.629 11.848 ( 0.982 -12.095 0.000) 12.135 11.874 ( -1.461 -11.030 0.000) 11.126 12.710 ( 0.805 10.063 0.000) 10.095 12.740 ( -1.992 8.901 0.000) 9.121 13.228 ( 5.373 11.738 0.000) 12.909 13.265 ( 2.931 8.245 0.000) 8.750 13.862 ( 0.514 9.508 0.000) 9.522 13.927 ( -7.113 12.499 0.000) 14.381 14.554 ( 1.111 8.815 0.000) 8.885 14.558 ( 0.514 10.652 0.000) 10.664 14.886 ( 5.323 -3.872 0.000) 6.583 14.957 ( -2.221 -4.369 0.000) 4.901 15.126 ( 1.259 1.123 0.000) 1.687 15.151 ( -1.079 1.939 0.000) 2.219 16.436 ( 0.852 -5.482 0.000) 5.547 16.454 ( -0.912 -4.887 0.000) 4.971 16.555 ( 1.977 -3.192 0.000) 3.754 16.590 ( -1.506 -2.995 0.000) 3.352 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 0.000 0.584 0.000) 0.584 0.859 ( 0.000 -0.794 0.000) 0.794 0.951 ( 0.000 0.438 0.000) 0.438 1.054 ( 0.000 10.776 0.000) 10.776 1.200 ( 0.000 6.501 0.000) 6.501 1.230 ( 0.000 6.631 0.000) 6.631 1.317 ( 0.000 0.418 0.000) 0.418 1.380 ( 0.000 0.682 0.000) 0.682 1.502 ( 0.000 2.555 0.000) 2.555 1.603 ( 0.000 -2.812 0.000) 2.812 1.818 ( 0.000 1.457 0.000) 1.457 1.938 ( 0.000 -1.123 0.000) 1.123 1.985 ( 0.000 6.802 0.000) 6.802 2.008 ( 0.000 9.710 0.000) 9.710 2.049 ( 0.000 13.311 0.000) 13.311 2.075 ( 0.000 8.800 0.000) 8.800 2.087 ( 0.000 11.082 0.000) 11.082 2.087 ( 0.000 10.491 0.000) 10.491 2.204 ( 0.000 3.408 0.000) 3.408 2.235 ( 0.000 16.092 0.000) 16.092 2.354 ( 0.000 2.073 0.000) 2.073 2.411 ( 0.000 -2.181 0.000) 2.181 2.520 ( 0.000 3.351 0.000) 3.351 2.690 ( 0.000 -5.374 0.000) 5.374 3.026 ( 0.000 12.845 0.000) 12.845 3.143 ( 0.000 15.245 0.000) 15.245 3.841 ( 0.000 15.092 0.000) 15.092 3.890 ( 0.000 14.349 0.000) 14.349 3.895 ( 0.000 5.406 0.000) 5.406 3.913 ( 0.000 2.592 0.000) 2.592 4.817 ( 0.000 19.370 0.000) 19.370 4.877 ( 0.000 17.474 0.000) 17.474 5.825 ( 0.000 17.556 0.000) 17.556 5.965 ( 0.000 12.818 0.000) 12.818 6.077 ( 0.000 32.686 0.000) 32.686 6.082 ( 0.000 34.133 0.000) 34.133 6.431 ( 0.000 -0.531 0.000) 0.531 6.815 ( 0.000 5.841 0.000) 5.841 6.902 ( 0.000 4.016 0.000) 4.016 6.930 ( 0.000 4.534 0.000) 4.534 7.646 ( 0.000 -6.395 0.000) 6.395 7.900 ( 0.000 -13.138 0.000) 13.138 8.028 ( 0.000 -17.415 0.000) 17.415 8.045 ( 0.000 2.078 0.000) 2.078 8.880 ( 0.000 1.449 0.000) 1.449 8.959 ( 0.000 11.375 0.000) 11.375 9.134 ( 0.000 1.978 0.000) 1.978 9.473 ( 0.000 3.373 0.000) 3.373 10.377 ( 0.000 -6.187 0.000) 6.187 10.655 ( 0.000 -4.873 0.000) 4.873 10.695 ( 0.000 4.843 0.000) 4.843 10.867 ( 0.000 -10.826 0.000) 10.826 11.367 ( 0.000 -13.077 0.000) 13.077 11.536 ( 0.000 -14.762 0.000) 14.762 11.584 ( 0.000 9.677 0.000) 9.677 11.689 ( 0.000 -7.999 0.000) 7.999 12.954 ( 0.000 12.613 0.000) 12.613 12.988 ( 0.000 10.718 0.000) 10.718 13.371 ( 0.000 17.723 0.000) 17.723 13.398 ( 0.000 15.346 0.000) 15.346 14.000 ( 0.000 5.663 0.000) 5.663 14.460 ( 0.000 5.714 0.000) 5.714 14.602 ( 0.000 2.916 0.000) 2.916 14.628 ( 0.000 2.786 0.000) 2.786 14.743 ( 0.000 4.965 0.000) 4.965 14.942 ( 0.000 -2.416 0.000) 2.416 15.099 ( 0.000 -0.593 0.000) 0.593 15.207 ( 0.000 0.213 0.000) 0.213 16.291 ( 0.000 -6.006 0.000) 6.006 16.398 ( 0.000 -3.272 0.000) 3.272 16.443 ( 0.000 -2.453 0.000) 2.453 16.570 ( 0.000 -2.069 0.000) 2.069 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 1.371 -0.154 0.000) 1.380 0.884 ( 2.785 -0.537 0.000) 2.836 0.913 ( -2.102 1.513 0.000) 2.589 1.148 ( 6.642 8.125 0.000) 10.495 1.183 ( -2.931 1.703 0.000) 3.390 1.221 ( 2.004 5.636 0.000) 5.982 1.357 ( -1.354 2.680 0.000) 3.003 1.368 ( 3.658 2.977 0.000) 4.717 1.492 ( -0.967 2.593 0.000) 2.768 1.573 ( -2.792 -1.432 0.000) 3.138 1.740 ( -7.309 1.872 0.000) 7.545 1.824 ( -8.871 2.502 0.000) 9.217 1.985 ( 0.346 8.586 0.000) 8.592 2.017 ( 0.699 7.606 0.000) 7.639 2.050 ( -1.239 8.999 0.000) 9.084 2.095 ( 1.200 11.328 0.000) 11.391 2.100 ( 1.178 11.110 0.000) 11.173 2.113 ( 1.414 10.026 0.000) 10.125 2.187 ( -0.501 3.474 0.000) 3.510 2.241 ( 0.430 15.617 0.000) 15.623 2.369 ( 1.385 2.624 0.000) 2.967 2.439 ( 2.450 -1.552 0.000) 2.900 2.494 ( -2.386 2.882 0.000) 3.741 2.648 ( -3.663 -3.729 0.000) 5.227 3.047 ( 1.716 12.677 0.000) 12.793 3.135 ( -0.801 14.948 0.000) 14.969 3.865 ( 2.115 13.764 0.000) 13.925 3.899 ( 0.821 12.321 0.000) 12.348 3.911 ( 1.435 5.082 0.000) 5.281 3.928 ( 1.220 3.868 0.000) 4.056 4.824 ( 0.695 19.377 0.000) 19.389 4.873 ( -0.445 17.932 0.000) 17.937 5.846 ( 1.936 17.067 0.000) 17.176 5.958 ( -0.785 13.445 0.000) 13.468 6.079 ( 0.162 32.817 0.000) 32.817 6.083 ( 0.109 33.768 0.000) 33.768 6.466 ( 3.442 -0.460 0.000) 3.473 6.768 ( -4.232 4.106 0.000) 5.896 6.915 ( 1.086 4.568 0.000) 4.695 6.938 ( 0.537 5.559 0.000) 5.585 7.671 ( 2.678 -8.720 0.000) 9.122 7.921 ( 1.998 -10.933 0.000) 11.115 7.978 ( -4.166 -13.370 0.000) 14.004 8.046 ( -0.727 -2.858 0.000) 2.949 8.901 ( 1.978 1.442 0.000) 2.448 8.995 ( 2.742 9.705 0.000) 10.085 9.134 ( 0.646 3.145 0.000) 3.211 9.438 ( -3.507 4.378 0.000) 5.610 10.413 ( 3.539 -6.632 0.000) 7.518 10.638 ( -1.384 -5.363 0.000) 5.539 10.758 ( 5.956 5.348 0.000) 8.005 10.894 ( 2.752 -10.939 0.000) 11.280 11.296 ( -6.747 -11.955 0.000) 13.727 11.438 ( -11.769 8.701 0.000) 14.636 11.551 ( 1.539 -13.896 0.000) 13.981 11.706 ( -0.526 -6.635 0.000) 6.656 12.948 ( -0.346 13.113 0.000) 13.118 12.979 ( -0.874 11.165 0.000) 11.199 13.424 ( 4.534 15.661 0.000) 16.304 13.436 ( 3.468 15.026 0.000) 15.421 14.001 ( 0.304 5.846 0.000) 5.854 14.326 ( -9.888 7.707 0.000) 12.537 14.623 ( 1.901 2.634 0.000) 3.248 14.690 ( 2.156 2.631 0.000) 3.401 14.768 ( 3.156 2.481 0.000) 4.014 14.932 ( -1.038 -2.243 0.000) 2.471 15.110 ( 1.102 -0.519 0.000) 1.218 15.199 ( -0.796 0.051 0.000) 0.798 16.301 ( 0.963 -5.717 0.000) 5.798 16.388 ( -1.068 -3.519 0.000) 3.677 16.462 ( 1.786 -2.336 0.000) 2.940 16.563 ( -0.669 -2.043 0.000) 2.150 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 1.247 -0.817 0.000) 1.491 0.883 ( -1.177 -0.057 0.000) 1.179 0.967 ( 5.371 -0.538 0.000) 5.398 1.080 ( -5.739 -0.042 0.000) 5.739 1.271 ( 2.707 3.462 0.000) 4.395 1.301 ( 2.059 0.486 0.000) 2.116 1.354 ( 6.146 7.602 0.000) 9.776 1.466 ( 5.441 2.774 0.000) 6.107 1.469 ( -1.579 2.775 0.000) 3.193 1.521 ( -0.959 3.250 0.000) 3.389 1.567 ( -9.118 2.523 0.000) 9.461 1.637 ( -9.368 5.192 0.000) 10.710 2.002 ( 1.211 9.480 0.000) 9.557 2.026 ( -1.220 9.184 0.000) 9.264 2.036 ( 1.432 6.607 0.000) 6.761 2.074 ( -2.239 7.799 0.000) 8.114 2.123 ( 0.882 10.696 0.000) 10.733 2.130 ( 0.242 10.059 0.000) 10.062 2.209 ( 1.938 9.444 0.000) 9.641 2.239 ( -0.852 13.654 0.000) 13.680 2.402 ( 1.834 3.109 0.000) 3.610 2.443 ( -2.469 2.626 0.000) 3.604 2.496 ( 3.354 -1.333 0.000) 3.609 2.569 ( -4.037 -1.911 0.000) 4.467 3.082 ( 1.739 13.290 0.000) 13.403 3.113 ( -1.401 14.219 0.000) 14.288 3.905 ( 1.421 11.376 0.000) 11.464 3.914 ( 0.386 10.582 0.000) 10.589 3.939 ( 1.099 4.799 0.000) 4.923 3.946 ( 0.394 4.697 0.000) 4.714 4.841 ( 0.998 19.264 0.000) 19.290 4.860 ( -0.857 18.766 0.000) 18.786 5.891 ( 2.454 15.948 0.000) 16.136 5.934 ( -1.721 14.688 0.000) 14.788 6.082 ( 0.170 33.017 0.000) 33.018 6.084 ( -0.014 33.259 0.000) 33.259 6.556 ( 5.390 0.228 0.000) 5.395 6.667 ( -5.724 1.827 0.000) 6.008 6.936 ( 0.830 5.562 0.000) 5.624 6.944 ( -0.038 6.054 0.000) 6.054 7.754 ( 5.571 -12.445 0.000) 13.635 7.874 ( -6.178 -13.956 0.000) 15.262 7.969 ( 2.615 -6.926 0.000) 7.404 8.017 ( -2.101 -4.062 0.000) 4.573 8.952 ( 3.065 1.746 0.000) 3.528 9.006 ( -1.854 3.587 0.000) 4.038 9.204 ( 6.357 7.454 0.000) 9.796 9.338 ( -6.456 6.543 0.000) 9.192 10.504 ( 5.197 -7.344 0.000) 8.997 10.593 ( -3.455 -6.956 0.000) 7.767 10.923 ( 10.406 5.557 0.000) 11.797 10.976 ( 5.461 -12.046 0.000) 13.226 11.137 ( -8.188 -8.278 0.000) 11.643 11.182 ( -13.132 11.025 0.000) 17.146 11.597 ( 3.079 -11.682 0.000) 12.081 11.663 ( -3.272 -8.918 0.000) 9.500 12.948 ( 0.331 13.073 0.000) 13.077 12.960 ( -0.884 12.177 0.000) 12.209 13.505 ( 2.690 13.425 0.000) 13.692 13.505 ( 2.555 13.989 0.000) 14.221 14.027 ( 2.989 7.039 0.000) 7.648 14.138 ( -8.265 8.605 0.000) 11.931 14.665 ( 2.049 2.410 0.000) 3.164 14.695 ( -0.896 2.901 0.000) 3.036 14.843 ( 3.622 -0.768 0.000) 3.703 14.900 ( -2.256 -1.783 0.000) 2.876 15.140 ( 1.808 -0.384 0.000) 1.849 15.175 ( -1.609 -0.221 0.000) 1.624 16.327 ( 1.593 -4.998 0.000) 5.245 16.360 ( -1.652 -4.166 0.000) 4.481 16.504 ( 2.215 -2.137 0.000) 3.078 16.542 ( -1.543 -2.035 0.000) 2.554 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.000 0.149 0.000) 0.149 0.845 ( 0.000 -0.442 0.000) 0.442 0.964 ( 0.000 0.856 0.000) 0.856 1.197 ( 0.000 2.324 0.000) 2.324 1.285 ( 0.000 2.134 0.000) 2.134 1.322 ( 0.000 2.407 0.000) 2.407 1.322 ( 0.000 0.504 0.000) 0.504 1.393 ( 0.000 0.796 0.000) 0.796 1.499 ( 0.000 -2.692 0.000) 2.692 1.545 ( 0.000 -2.725 0.000) 2.725 1.812 ( 0.000 -1.217 0.000) 1.217 1.911 ( 0.000 -2.029 0.000) 2.029 2.103 ( 0.000 5.782 0.000) 5.782 2.148 ( 0.000 0.092 0.000) 0.092 2.192 ( 0.000 8.150 0.000) 8.150 2.231 ( 0.000 2.829 0.000) 2.829 2.262 ( 0.000 8.930 0.000) 8.930 2.279 ( 0.000 4.801 0.000) 4.801 2.325 ( 0.000 2.508 0.000) 2.508 2.364 ( 0.000 5.668 0.000) 5.668 2.444 ( 0.000 0.876 0.000) 0.876 2.474 ( 0.000 7.884 0.000) 7.884 2.637 ( 0.000 8.313 0.000) 8.313 2.658 ( 0.000 5.768 0.000) 5.768 3.311 ( 0.000 14.140 0.000) 14.140 3.439 ( 0.000 13.352 0.000) 13.352 3.976 ( 0.000 3.117 0.000) 3.117 3.990 ( 0.000 3.504 0.000) 3.504 4.183 ( 0.000 17.555 0.000) 17.555 4.226 ( 0.000 17.502 0.000) 17.502 5.029 ( 0.000 3.636 0.000) 3.636 5.031 ( 0.000 1.315 0.000) 1.315 6.291 ( 0.000 22.823 0.000) 22.823 6.353 ( 0.000 23.061 0.000) 23.061 6.361 ( 0.000 2.335 0.000) 2.335 6.646 ( 0.000 19.134 0.000) 19.134 6.768 ( 0.000 25.089 0.000) 25.089 6.983 ( 0.000 11.046 0.000) 11.046 7.012 ( 0.000 5.957 0.000) 5.957 7.157 ( 0.000 16.535 0.000) 16.535 7.558 ( 0.000 -1.621 0.000) 1.621 7.679 ( 0.000 -16.336 0.000) 16.336 7.690 ( 0.000 -6.471 0.000) 6.471 8.090 ( 0.000 2.898 0.000) 2.898 8.913 ( 0.000 2.142 0.000) 2.142 9.168 ( 0.000 8.799 0.000) 8.799 9.186 ( 0.000 2.884 0.000) 2.884 9.490 ( 0.000 -1.545 0.000) 1.545 10.294 ( 0.000 -2.538 0.000) 2.538 10.572 ( 0.000 -4.006 0.000) 4.006 10.629 ( 0.000 -11.650 0.000) 11.650 10.750 ( 0.000 -1.109 0.000) 1.109 11.126 ( 0.000 -8.844 0.000) 8.844 11.265 ( 0.000 -10.770 0.000) 10.770 11.577 ( 0.000 -2.740 0.000) 2.740 11.737 ( 0.000 5.189 0.000) 5.189 13.215 ( 0.000 10.892 0.000) 10.892 13.251 ( 0.000 15.414 0.000) 15.414 13.651 ( 0.000 8.844 0.000) 8.844 13.686 ( 0.000 12.736 0.000) 12.736 14.134 ( 0.000 7.797 0.000) 7.797 14.582 ( 0.000 6.122 0.000) 6.122 14.636 ( 0.000 0.840 0.000) 0.840 14.658 ( 0.000 0.580 0.000) 0.580 14.793 ( 0.000 0.097 0.000) 0.097 14.882 ( 0.000 -3.410 0.000) 3.410 15.059 ( 0.000 -3.445 0.000) 3.445 15.169 ( 0.000 -3.576 0.000) 3.576 16.177 ( 0.000 -4.962 0.000) 4.962 16.341 ( 0.000 -2.362 0.000) 2.362 16.380 ( 0.000 -4.099 0.000) 4.099 16.521 ( 0.000 -2.963 0.000) 2.963 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.116 -0.766 0.000) 0.775 0.874 ( 2.686 -0.472 0.000) 2.727 0.930 ( -2.919 0.589 0.000) 2.977 1.175 ( -4.656 -1.659 0.000) 4.943 1.264 ( 0.814 2.514 0.000) 2.642 1.291 ( 0.516 1.590 0.000) 1.672 1.395 ( 2.533 -0.100 0.000) 2.535 1.419 ( 2.963 2.543 0.000) 3.904 1.490 ( -0.857 -2.562 0.000) 2.701 1.552 ( 0.976 -0.520 0.000) 1.106 1.750 ( -5.742 -0.354 0.000) 5.753 1.848 ( -5.692 -0.375 0.000) 5.704 2.108 ( 0.608 5.446 0.000) 5.480 2.154 ( 0.393 1.088 0.000) 1.157 2.179 ( -0.785 6.790 0.000) 6.835 2.227 ( -3.109 3.706 0.000) 4.837 2.252 ( 1.437 4.118 0.000) 4.362 2.270 ( 0.524 7.344 0.000) 7.363 2.367 ( 2.851 8.302 0.000) 8.778 2.402 ( 2.905 1.530 0.000) 3.283 2.452 ( 0.683 0.469 0.000) 0.829 2.495 ( 2.046 7.944 0.000) 8.203 2.589 ( -3.725 8.623 0.000) 9.393 2.653 ( -1.258 6.618 0.000) 6.736 3.327 ( 1.482 13.908 0.000) 13.987 3.428 ( -1.081 13.365 0.000) 13.409 3.985 ( 0.792 2.901 0.000) 3.007 3.997 ( 0.547 3.180 0.000) 3.226 4.193 ( 0.945 17.163 0.000) 17.189 4.227 ( 0.088 17.171 0.000) 17.171 5.033 ( 0.332 3.402 0.000) 3.418 5.035 ( 0.364 1.525 0.000) 1.568 6.301 ( 1.130 21.881 0.000) 21.910 6.353 ( 0.003 23.156 0.000) 23.156 6.405 ( 4.008 4.751 0.000) 6.216 6.633 ( -1.373 17.662 0.000) 17.715 6.774 ( 0.721 24.495 0.000) 24.505 6.939 ( -3.886 12.980 0.000) 13.549 7.042 ( 2.805 6.753 0.000) 7.313 7.159 ( 0.006 15.443 0.000) 15.443 7.506 ( -2.832 -5.743 0.000) 6.403 7.643 ( -3.486 -16.042 0.000) 16.416 7.779 ( 6.526 -3.061 0.000) 7.208 8.069 ( -2.127 2.557 0.000) 3.326 8.933 ( 1.970 2.062 0.000) 2.852 9.131 ( -2.758 4.148 0.000) 4.982 9.238 ( 4.136 6.262 0.000) 7.505 9.476 ( -1.547 -0.603 0.000) 1.660 10.317 ( 2.392 -3.196 0.000) 3.992 10.542 ( -2.725 -4.495 0.000) 5.256 10.651 ( 2.255 -11.928 0.000) 12.139 10.792 ( 2.999 -4.550 0.000) 5.450 11.104 ( -1.049 -4.370 0.000) 4.494 11.300 ( 3.461 -9.815 0.000) 10.408 11.514 ( -6.270 -0.463 0.000) 6.288 11.676 ( -5.817 2.940 0.000) 6.518 13.215 ( 0.116 11.465 0.000) 11.465 13.245 ( -0.533 15.148 0.000) 15.157 13.691 ( 3.588 9.159 0.000) 9.836 13.714 ( 2.519 12.053 0.000) 12.313 14.134 ( 0.296 7.513 0.000) 7.519 14.467 ( -8.386 6.160 0.000) 10.405 14.651 ( 1.336 0.519 0.000) 1.433 14.709 ( 1.939 0.376 0.000) 1.975 14.797 ( 0.816 -0.107 0.000) 0.823 14.878 ( -0.459 -3.069 0.000) 3.103 15.070 ( 1.059 -3.498 0.000) 3.655 15.159 ( -0.983 -3.669 0.000) 3.798 16.194 ( 1.606 -4.614 0.000) 4.885 16.325 ( -1.511 -2.532 0.000) 2.948 16.402 ( 2.002 -3.959 0.000) 4.436 16.514 ( -0.734 -3.055 0.000) 3.142 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 1.217 -1.435 0.000) 1.882 0.871 ( -2.663 -0.712 0.000) 2.757 0.947 ( 4.754 -1.327 0.000) 4.936 1.057 ( -6.261 -1.913 0.000) 6.547 1.295 ( 1.159 -0.633 0.000) 1.320 1.301 ( 0.342 0.152 0.000) 0.374 1.440 ( 1.894 -2.037 0.000) 2.782 1.469 ( -1.240 -2.440 0.000) 2.737 1.493 ( 4.964 3.752 0.000) 6.223 1.603 ( 4.486 2.847 0.000) 5.313 1.617 ( -7.141 1.974 0.000) 7.409 1.718 ( -6.847 2.052 0.000) 7.148 2.128 ( 1.408 4.422 0.000) 4.640 2.155 ( -0.671 2.626 0.000) 2.710 2.169 ( -0.168 5.955 0.000) 5.958 2.177 ( -1.567 5.140 0.000) 5.373 2.274 ( 0.699 4.776 0.000) 4.827 2.278 ( 0.220 5.693 0.000) 5.698 2.429 ( 3.232 5.089 0.000) 6.029 2.451 ( 1.976 4.740 0.000) 5.136 2.461 ( -0.104 -1.060 0.000) 1.066 2.510 ( -3.997 10.747 0.000) 11.467 2.548 ( 3.133 7.724 0.000) 8.336 2.609 ( -2.926 7.241 0.000) 7.810 3.362 ( 1.972 13.588 0.000) 13.731 3.400 ( -1.771 13.426 0.000) 13.542 4.001 ( 0.627 2.581 0.000) 2.656 4.005 ( 0.176 2.667 0.000) 2.673 4.213 ( 0.938 16.574 0.000) 16.600 4.226 ( -0.309 16.607 0.000) 16.610 5.039 ( 0.274 2.805 0.000) 2.819 5.041 ( 0.138 2.090 0.000) 2.094 6.329 ( 1.430 22.633 0.000) 22.678 6.349 ( -0.563 23.224 0.000) 23.230 6.499 ( 5.057 7.882 0.000) 9.364 6.586 ( -3.536 12.988 0.000) 13.461 6.800 ( 2.013 22.321 0.000) 22.411 6.858 ( -3.854 17.649 0.000) 18.065 7.105 ( 3.063 9.883 0.000) 10.347 7.148 ( -1.296 13.389 0.000) 13.451 7.490 ( 1.508 -10.949 0.000) 11.052 7.557 ( -4.676 -14.757 0.000) 15.480 7.905 ( 6.018 -0.327 0.000) 6.027 8.007 ( -4.211 1.516 0.000) 4.476 8.988 ( 3.557 2.059 0.000) 4.111 9.064 ( -3.910 2.608 0.000) 4.700 9.334 ( 5.180 4.726 0.000) 7.012 9.425 ( -3.779 1.873 0.000) 4.218 10.385 ( 4.352 -4.566 0.000) 6.308 10.473 ( -4.216 -5.129 0.000) 6.639 10.715 ( 4.154 -12.750 0.000) 13.410 10.796 ( -3.090 -12.532 0.000) 12.907 11.160 ( 7.388 5.252 0.000) 9.065 11.346 ( -10.131 4.455 0.000) 11.067 11.397 ( 6.305 -7.150 0.000) 9.533 11.537 ( -7.604 -2.620 0.000) 8.043 13.221 ( 0.474 12.816 0.000) 12.825 13.233 ( -0.667 14.232 0.000) 14.248 13.759 ( 2.369 9.952 0.000) 10.230 13.763 ( 1.766 10.857 0.000) 11.000 14.168 ( 3.891 7.049 0.000) 8.052 14.295 ( -8.465 6.844 0.000) 10.886 14.682 ( 1.744 -0.087 0.000) 1.747 14.712 ( -1.094 -0.311 0.000) 1.137 14.829 ( 1.962 -1.021 0.000) 2.212 14.861 ( -1.255 -2.180 0.000) 2.515 15.098 ( 1.723 -3.648 0.000) 4.034 15.133 ( -1.658 -3.751 0.000) 4.101 16.235 ( 2.501 -3.822 0.000) 4.568 16.285 ( -2.438 -3.040 0.000) 3.897 16.448 ( 2.455 -3.643 0.000) 4.393 16.490 ( -1.704 -3.306 0.000) 3.719 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.000 0.332 0.000) 0.332 0.841 ( 0.000 0.050 0.000) 0.050 0.990 ( 0.000 1.745 0.000) 1.745 1.178 ( 0.000 -2.918 0.000) 2.918 1.306 ( 0.000 0.274 0.000) 0.274 1.328 ( 0.000 -0.011 0.000) 0.011 1.341 ( 0.000 -0.085 0.000) 0.085 1.412 ( 0.000 0.838 0.000) 0.838 1.420 ( 0.000 -4.237 0.000) 4.237 1.494 ( 0.000 -2.192 0.000) 2.192 1.785 ( 0.000 -1.192 0.000) 1.192 1.853 ( 0.000 -3.205 0.000) 3.205 2.139 ( 0.000 -0.354 0.000) 0.354 2.223 ( 0.000 3.761 0.000) 3.761 2.253 ( 0.000 -3.927 0.000) 3.927 2.261 ( 0.000 2.902 0.000) 2.902 2.330 ( 0.000 4.654 0.000) 4.654 2.375 ( 0.000 -4.130 0.000) 4.130 2.398 ( 0.000 5.977 0.000) 5.977 2.422 ( 0.000 6.153 0.000) 6.153 2.560 ( 0.000 8.085 0.000) 8.085 2.619 ( 0.000 5.684 0.000) 5.684 2.814 ( 0.000 7.833 0.000) 7.833 2.827 ( 0.000 7.687 0.000) 7.687 3.587 ( 0.000 12.465 0.000) 12.465 3.685 ( 0.000 10.556 0.000) 10.556 4.017 ( 0.000 0.405 0.000) 0.405 4.023 ( 0.000 -0.547 0.000) 0.547 4.532 ( 0.000 15.771 0.000) 15.771 4.573 ( 0.000 15.627 0.000) 15.627 5.020 ( 0.000 -1.719 0.000) 1.719 5.045 ( 0.000 -1.109 0.000) 1.109 6.409 ( 0.000 2.608 0.000) 2.608 6.605 ( 0.000 5.833 0.000) 5.833 6.835 ( 0.000 22.319 0.000) 22.319 6.866 ( 0.000 5.121 0.000) 5.121 7.142 ( 0.000 7.423 0.000) 7.423 7.176 ( 0.000 13.665 0.000) 13.665 7.235 ( 0.000 10.629 0.000) 10.629 7.361 ( 0.000 -14.007 0.000) 14.007 7.543 ( 0.000 19.223 0.000) 19.223 7.588 ( 0.000 4.262 0.000) 4.262 7.655 ( 0.000 2.261 0.000) 2.261 8.156 ( 0.000 2.525 0.000) 2.525 8.985 ( 0.000 5.087 0.000) 5.087 9.255 ( 0.000 4.014 0.000) 4.014 9.320 ( 0.000 5.890 0.000) 5.890 9.417 ( 0.000 -5.396 0.000) 5.396 10.255 ( 0.000 -1.457 0.000) 1.457 10.414 ( 0.000 -8.773 0.000) 8.773 10.466 ( 0.000 -6.233 0.000) 6.233 10.604 ( 0.000 -11.183 0.000) 11.183 11.057 ( 0.000 0.724 0.000) 0.724 11.120 ( 0.000 -3.478 0.000) 3.478 11.579 ( 0.000 2.765 0.000) 2.765 11.797 ( 0.000 0.629 0.000) 0.629 13.424 ( 0.000 9.450 0.000) 9.450 13.557 ( 0.000 13.941 0.000) 13.941 13.756 ( 0.000 1.565 0.000) 1.565 13.883 ( 0.000 6.191 0.000) 6.191 14.314 ( 0.000 9.321 0.000) 9.321 14.644 ( 0.000 -0.133 0.000) 0.133 14.663 ( 0.000 0.042 0.000) 0.042 14.691 ( 0.000 3.033 0.000) 3.033 14.778 ( 0.000 0.387 0.000) 0.387 14.816 ( 0.000 -2.556 0.000) 2.556 14.962 ( 0.000 -5.774 0.000) 5.774 15.076 ( 0.000 -5.176 0.000) 5.176 16.097 ( 0.000 -2.598 0.000) 2.598 16.272 ( 0.000 -6.140 0.000) 6.140 16.304 ( 0.000 -1.019 0.000) 1.019 16.445 ( 0.000 -4.233 0.000) 4.233 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -0.750 0.021 0.000) 0.750 0.863 ( 1.689 -0.679 0.000) 1.820 0.948 ( -3.822 1.381 0.000) 4.063 1.125 ( -5.263 -3.102 0.000) 6.109 1.283 ( -1.030 0.211 0.000) 1.052 1.305 ( -0.155 0.154 0.000) 0.219 1.360 ( 0.385 -2.438 0.000) 2.469 1.416 ( -0.467 -3.972 0.000) 3.999 1.463 ( 4.083 1.537 0.000) 4.363 1.539 ( 3.707 -0.970 0.000) 3.832 1.736 ( -4.340 -0.708 0.000) 4.397 1.811 ( -3.956 -2.739 0.000) 4.811 2.159 ( 1.719 0.167 0.000) 1.727 2.218 ( -0.366 3.382 0.000) 3.402 2.260 ( 0.440 -1.516 0.000) 1.579 2.260 ( -0.028 3.492 0.000) 3.492 2.344 ( 1.227 4.219 0.000) 4.394 2.386 ( 0.889 -3.612 0.000) 3.720 2.399 ( 0.156 3.948 0.000) 3.951 2.414 ( -0.743 5.653 0.000) 5.702 2.587 ( 2.564 8.128 0.000) 8.523 2.643 ( 2.304 5.866 0.000) 6.302 2.784 ( -2.616 8.355 0.000) 8.755 2.814 ( -1.575 7.172 0.000) 7.343 3.598 ( 1.068 12.235 0.000) 12.281 3.676 ( -0.855 10.731 0.000) 10.765 4.021 ( 0.333 0.157 0.000) 0.368 4.026 ( 0.212 -0.617 0.000) 0.652 4.537 ( 0.532 15.640 0.000) 15.649 4.571 ( -0.250 15.545 0.000) 15.547 5.025 ( 0.490 -1.766 0.000) 1.832 5.045 ( -0.028 -1.241 0.000) 1.241 6.455 ( 4.502 3.083 0.000) 5.457 6.656 ( 4.746 7.447 0.000) 8.831 6.810 ( -3.249 12.251 0.000) 12.675 6.852 ( -0.719 14.425 0.000) 14.443 7.143 ( 0.199 5.659 0.000) 5.662 7.182 ( 0.585 12.820 0.000) 12.833 7.223 ( -1.088 11.183 0.000) 11.235 7.328 ( -3.202 -13.130 0.000) 13.515 7.521 ( -3.056 7.191 0.000) 7.813 7.531 ( -1.136 18.241 0.000) 18.276 7.769 ( 7.723 1.059 0.000) 7.795 8.129 ( -2.747 2.237 0.000) 3.543 9.002 ( 1.737 4.946 0.000) 5.242 9.212 ( -3.554 4.364 0.000) 5.628 9.350 ( 2.242 4.131 0.000) 4.700 9.419 ( 0.162 -4.751 0.000) 4.754 10.266 ( 1.249 -1.884 0.000) 2.261 10.430 ( 1.561 -9.143 0.000) 9.276 10.436 ( -2.729 -5.724 0.000) 6.341 10.591 ( -1.688 -12.021 0.000) 12.139 11.107 ( 5.003 2.099 0.000) 5.425 11.169 ( 5.066 -3.018 0.000) 5.897 11.527 ( -5.059 2.557 0.000) 5.669 11.723 ( -7.234 0.744 0.000) 7.272 13.437 ( 1.326 10.096 0.000) 10.183 13.546 ( -1.138 13.739 0.000) 13.786 13.799 ( 4.016 1.503 0.000) 4.288 13.899 ( 1.426 5.602 0.000) 5.780 14.309 ( -0.257 9.146 0.000) 9.150 14.570 ( -6.888 3.653 0.000) 7.796 14.651 ( 0.682 -0.534 0.000) 0.866 14.710 ( -0.143 -0.936 0.000) 0.947 14.790 ( 1.125 0.827 0.000) 1.396 14.819 ( 0.254 -2.183 0.000) 2.198 14.973 ( 1.032 -5.705 0.000) 5.798 15.064 ( -1.196 -5.339 0.000) 5.472 16.120 ( 2.242 -2.300 0.000) 3.212 16.287 ( -1.741 -1.057 0.000) 2.037 16.297 ( 2.341 -5.950 0.000) 6.394 16.435 ( -1.034 -4.425 0.000) 4.545 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 1.227 -0.270 0.000) 1.257 0.866 ( -3.922 0.350 0.000) 3.938 0.913 ( 3.596 -2.054 0.000) 4.141 1.007 ( -5.892 -2.888 0.000) 6.562 1.284 ( 0.647 -0.315 0.000) 0.719 1.298 ( -0.584 -0.178 0.000) 0.610 1.377 ( 1.255 -3.336 0.000) 3.564 1.401 ( -1.062 -3.573 0.000) 3.727 1.547 ( 4.413 1.553 0.000) 4.678 1.621 ( 4.599 -0.625 0.000) 4.641 1.639 ( -5.048 0.529 0.000) 5.076 1.717 ( -5.093 -1.565 0.000) 5.328 2.192 ( 1.378 1.252 0.000) 1.862 2.210 ( -0.545 2.469 0.000) 2.528 2.261 ( 0.099 3.906 0.000) 3.907 2.263 ( -0.086 2.355 0.000) 2.357 2.370 ( 1.315 4.165 0.000) 4.367 2.393 ( -1.011 4.591 0.000) 4.701 2.401 ( 0.545 -2.297 0.000) 2.361 2.405 ( 0.081 0.377 0.000) 0.386 2.650 ( 3.625 8.306 0.000) 9.063 2.701 ( 3.366 6.244 0.000) 7.094 2.722 ( -3.553 8.550 0.000) 9.259 2.767 ( -3.107 6.682 0.000) 7.369 3.624 ( 1.518 11.722 0.000) 11.820 3.654 ( -1.398 11.171 0.000) 11.258 4.027 ( 0.259 -0.333 0.000) 0.421 4.029 ( 0.073 -0.630 0.000) 0.634 4.550 ( 0.713 15.435 0.000) 15.451 4.563 ( -0.540 15.412 0.000) 15.421 5.036 ( 0.499 -1.751 0.000) 1.821 5.043 ( -0.223 -1.532 0.000) 1.548 6.573 ( 7.001 4.220 0.000) 8.175 6.710 ( -6.534 5.989 0.000) 8.864 6.762 ( 5.132 12.750 0.000) 13.744 6.832 ( -1.948 17.850 0.000) 17.956 7.159 ( 1.668 2.156 0.000) 2.726 7.196 ( -1.623 9.682 0.000) 9.818 7.200 ( 1.353 8.629 0.000) 8.734 7.251 ( -3.973 -7.286 0.000) 8.299 7.490 ( -0.172 11.638 0.000) 11.639 7.505 ( -1.312 15.534 0.000) 15.590 7.921 ( 7.431 0.785 0.000) 7.472 8.049 ( -5.416 1.479 0.000) 5.614 9.053 ( 3.451 4.614 0.000) 5.761 9.132 ( -4.334 4.375 0.000) 6.158 9.392 ( 1.850 0.854 0.000) 2.037 9.417 ( -0.606 -2.583 0.000) 2.653 10.306 ( 2.814 -3.163 0.000) 4.234 10.371 ( -3.584 -4.677 0.000) 5.892 10.474 ( 2.888 -10.223 0.000) 10.623 10.538 ( -3.350 -11.685 0.000) 12.156 11.238 ( 7.810 2.283 0.000) 8.137 11.320 ( 10.034 -0.776 0.000) 10.064 11.396 ( -7.852 2.141 0.000) 8.138 11.536 ( -11.121 0.664 0.000) 11.141 13.473 ( 2.125 11.564 0.000) 11.758 13.514 ( -1.972 12.962 0.000) 13.111 13.885 ( 3.764 1.986 0.000) 4.255 13.921 ( 0.136 3.922 0.000) 3.924 14.325 ( 2.638 8.257 0.000) 8.668 14.425 ( -7.100 6.000 0.000) 9.295 14.669 ( 1.114 -1.305 0.000) 1.716 14.693 ( -1.222 -1.682 0.000) 2.079 14.811 ( 0.897 -0.056 0.000) 0.898 14.822 ( -0.133 -1.239 0.000) 1.247 15.000 ( 1.651 -5.628 0.000) 5.865 15.034 ( -1.728 -5.557 0.000) 5.819 16.177 ( 3.270 -1.708 0.000) 3.689 16.240 ( -2.968 -1.253 0.000) 3.222 16.352 ( 2.948 -5.478 0.000) 6.221 16.404 ( -2.181 -4.906 0.000) 5.369 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 0.000 0.446 0.000) 0.446 0.842 ( 0.000 -0.089 0.000) 0.089 1.038 ( 0.000 2.917 0.000) 2.917 1.107 ( 0.000 -3.676 0.000) 3.676 1.313 ( 0.000 0.742 0.000) 0.742 1.327 ( 0.000 0.059 0.000) 0.059 1.333 ( 0.000 -0.474 0.000) 0.474 1.347 ( 0.000 -2.692 0.000) 2.692 1.429 ( 0.000 1.010 0.000) 1.010 1.456 ( 0.000 -1.597 0.000) 1.597 1.773 ( 0.000 0.186 0.000) 0.186 1.796 ( 0.000 -2.074 0.000) 2.074 2.145 ( 0.000 1.050 0.000) 1.050 2.184 ( 0.000 -2.681 0.000) 2.681 2.248 ( 0.000 1.131 0.000) 1.131 2.290 ( 0.000 -3.066 0.000) 3.066 2.359 ( 0.000 3.938 0.000) 3.938 2.394 ( 0.000 0.621 0.000) 0.621 2.494 ( 0.000 2.887 0.000) 2.887 2.505 ( 0.000 1.819 0.000) 1.819 2.678 ( 0.000 3.299 0.000) 3.299 2.695 ( 0.000 1.549 0.000) 1.549 2.930 ( 0.000 3.113 0.000) 3.113 2.935 ( 0.000 2.613 0.000) 2.613 3.812 ( 0.000 9.352 0.000) 9.352 3.870 ( 0.000 7.365 0.000) 7.365 3.963 ( 0.000 -5.241 0.000) 5.241 3.984 ( 0.000 -3.662 0.000) 3.662 4.805 ( 0.000 10.482 0.000) 10.482 4.842 ( 0.000 10.257 0.000) 10.257 4.958 ( 0.000 -4.743 0.000) 4.743 4.991 ( 0.000 -4.509 0.000) 4.509 6.478 ( 0.000 4.367 0.000) 4.367 6.583 ( 0.000 -5.014 0.000) 5.014 6.953 ( 0.000 4.917 0.000) 4.917 7.099 ( 0.000 -8.628 0.000) 8.628 7.217 ( 0.000 11.457 0.000) 11.457 7.290 ( 0.000 5.448 0.000) 5.448 7.329 ( 0.000 2.101 0.000) 2.101 7.347 ( 0.000 -0.267 0.000) 0.267 7.690 ( 0.000 4.008 0.000) 4.008 7.713 ( 0.000 1.742 0.000) 1.742 7.909 ( 0.000 15.385 0.000) 15.385 8.134 ( 0.000 -5.864 0.000) 5.864 9.119 ( 0.000 7.642 0.000) 7.642 9.280 ( 0.000 -7.630 0.000) 7.630 9.348 ( 0.000 4.420 0.000) 4.420 9.393 ( 0.000 0.745 0.000) 0.745 10.239 ( 0.000 0.259 0.000) 0.259 10.281 ( 0.000 -4.156 0.000) 4.156 10.358 ( 0.000 -2.819 0.000) 2.819 10.398 ( 0.000 -6.997 0.000) 6.997 11.083 ( 0.000 1.001 0.000) 1.001 11.092 ( 0.000 -0.190 0.000) 0.190 11.669 ( 0.000 5.294 0.000) 5.294 11.766 ( 0.000 -3.500 0.000) 3.500 13.600 ( 0.000 7.588 0.000) 7.588 13.725 ( 0.000 -4.243 0.000) 4.243 13.803 ( 0.000 9.559 0.000) 9.559 13.927 ( 0.000 -2.074 0.000) 2.074 14.497 ( 0.000 8.035 0.000) 8.035 14.617 ( 0.000 -3.202 0.000) 3.202 14.664 ( 0.000 0.238 0.000) 0.238 14.681 ( 0.000 -1.549 0.000) 1.549 14.791 ( 0.000 0.401 0.000) 0.401 14.845 ( 0.000 -4.834 0.000) 4.834 14.856 ( 0.000 5.292 0.000) 5.292 14.966 ( 0.000 -5.410 0.000) 5.410 16.082 ( 0.000 1.319 0.000) 1.319 16.151 ( 0.000 -5.125 0.000) 5.125 16.306 ( 0.000 1.354 0.000) 1.354 16.360 ( 0.000 -3.698 0.000) 3.698 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -0.779 0.933 0.000) 1.216 0.845 ( 0.228 -1.080 0.000) 1.104 0.990 ( -4.510 2.680 0.000) 5.247 1.055 ( -4.976 -3.500 0.000) 6.084 1.290 ( -1.275 0.672 0.000) 1.441 1.312 ( -0.159 0.830 0.000) 0.845 1.315 ( -0.860 -1.758 0.000) 1.957 1.346 ( -0.125 -2.604 0.000) 2.607 1.489 ( 4.318 1.145 0.000) 4.467 1.514 ( 4.265 -1.297 0.000) 4.458 1.731 ( -3.637 0.449 0.000) 3.665 1.758 ( -3.468 -2.086 0.000) 4.046 2.173 ( 2.347 1.231 0.000) 2.650 2.211 ( 2.285 -2.406 0.000) 3.318 2.249 ( 0.068 1.327 0.000) 1.329 2.289 ( -0.136 -2.303 0.000) 2.307 2.374 ( 1.419 3.140 0.000) 3.446 2.404 ( 0.964 0.653 0.000) 1.164 2.479 ( -1.344 2.748 0.000) 3.059 2.492 ( -1.266 1.659 0.000) 2.087 2.705 ( 2.639 3.317 0.000) 4.239 2.722 ( 2.570 1.637 0.000) 3.047 2.906 ( -2.294 3.301 0.000) 4.020 2.915 ( -2.033 2.384 0.000) 3.133 3.819 ( 0.627 9.140 0.000) 9.161 3.865 ( -0.479 7.557 0.000) 7.573 3.967 ( 0.290 -5.129 0.000) 5.137 3.983 ( -0.095 -3.864 0.000) 3.865 4.809 ( 0.390 10.450 0.000) 10.458 4.839 ( -0.300 10.270 0.000) 10.274 4.962 ( 0.400 -4.790 0.000) 4.806 4.989 ( -0.217 -4.578 0.000) 4.583 6.530 ( 5.046 4.609 0.000) 6.835 6.642 ( 5.683 -5.377 0.000) 7.824 6.914 ( -3.949 5.043 0.000) 6.405 7.059 ( -4.074 -8.241 0.000) 9.193 7.223 ( 0.534 10.902 0.000) 10.915 7.279 ( -0.984 6.312 0.000) 6.389 7.334 ( 0.390 1.819 0.000) 1.860 7.346 ( -0.084 -0.011 0.000) 0.085 7.691 ( 1.268 7.095 0.000) 7.207 7.776 ( 5.099 -1.304 0.000) 5.263 7.883 ( -2.526 14.881 0.000) 15.093 8.103 ( -3.116 -5.881 0.000) 6.656 9.134 ( 1.512 7.564 0.000) 7.714 9.292 ( 1.174 -7.369 0.000) 7.462 9.315 ( -2.930 5.240 0.000) 6.004 9.387 ( -0.790 -0.931 0.000) 1.221 10.245 ( 0.681 0.189 0.000) 0.707 10.290 ( 0.867 -4.414 0.000) 4.499 10.341 ( -1.574 -2.266 0.000) 2.759 10.384 ( -1.350 -6.750 0.000) 6.884 11.140 ( 5.322 0.962 0.000) 5.408 11.149 ( 5.962 0.008 0.000) 5.962 11.610 ( -5.798 4.853 0.000) 7.561 11.698 ( -6.675 -3.103 0.000) 7.361 13.626 ( 2.543 8.188 0.000) 8.574 13.762 ( 3.545 -4.694 0.000) 5.882 13.792 ( -1.187 9.865 0.000) 9.936 13.928 ( -0.072 -2.893 0.000) 2.894 14.490 ( -0.464 8.048 0.000) 8.062 14.614 ( -0.145 -3.656 0.000) 3.659 14.624 ( -3.611 2.123 0.000) 4.188 14.670 ( -1.243 -2.339 0.000) 2.649 14.802 ( 0.986 0.734 0.000) 1.229 14.850 ( -0.506 4.367 0.000) 4.396 14.858 ( 1.242 -4.710 0.000) 4.871 14.952 ( -1.349 -5.378 0.000) 5.544 16.110 ( 2.643 1.445 0.000) 3.013 16.179 ( 2.651 -5.037 0.000) 5.692 16.290 ( -1.703 1.447 0.000) 2.234 16.346 ( -1.426 -3.884 0.000) 4.138 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 1.538 1.412 0.000) 2.088 0.866 ( 2.362 -2.329 0.000) 3.317 0.890 ( -4.810 2.021 0.000) 5.218 0.944 ( -5.409 -3.071 0.000) 6.220 1.288 ( 0.655 0.773 0.000) 1.013 1.303 ( -0.720 0.892 0.000) 1.146 1.318 ( 0.912 -2.225 0.000) 2.405 1.338 ( -0.812 -2.451 0.000) 2.582 1.571 ( 4.056 1.116 0.000) 4.206 1.597 ( 4.151 -1.385 0.000) 4.376 1.651 ( -4.184 0.862 0.000) 4.272 1.679 ( -4.222 -1.790 0.000) 4.586 2.218 ( 1.985 1.501 0.000) 2.489 2.245 ( -0.688 1.575 0.000) 1.718 2.255 ( 1.932 -1.867 0.000) 2.687 2.281 ( -0.779 -1.671 0.000) 1.844 2.408 ( 1.941 2.419 0.000) 3.101 2.430 ( 1.531 0.875 0.000) 1.764 2.447 ( -1.873 2.458 0.000) 3.090 2.462 ( -1.669 1.289 0.000) 2.108 2.771 ( 3.820 3.357 0.000) 5.085 2.786 ( 3.731 1.847 0.000) 4.163 2.846 ( -3.633 3.412 0.000) 4.984 2.859 ( -3.503 2.091 0.000) 4.079 3.835 ( 0.900 8.630 0.000) 8.677 3.852 ( -0.811 8.040 0.000) 8.081 3.973 ( 0.366 -4.807 0.000) 4.821 3.980 ( -0.246 -4.331 0.000) 4.338 4.819 ( 0.603 10.379 0.000) 10.397 4.831 ( -0.545 10.311 0.000) 10.326 4.972 ( 0.552 -4.821 0.000) 4.852 4.982 ( -0.440 -4.727 0.000) 4.747 6.659 ( 7.553 5.044 0.000) 9.082 6.785 ( 8.344 -6.314 0.000) 10.463 6.805 ( -6.880 5.200 0.000) 8.624 6.944 ( -7.344 -7.394 0.000) 10.421 7.237 ( 0.917 9.682 0.000) 9.725 7.258 ( -1.110 8.057 0.000) 8.134 7.341 ( 0.243 1.226 0.000) 1.250 7.344 ( -0.117 0.570 0.000) 0.582 7.740 ( 3.520 10.572 0.000) 11.143 7.817 ( -3.965 13.277 0.000) 13.857 7.894 ( 6.484 -4.197 0.000) 7.724 8.016 ( -5.607 -5.584 0.000) 7.913 9.178 ( 2.992 7.213 0.000) 7.809 9.247 ( -3.776 6.408 0.000) 7.438 9.323 ( 1.918 -6.279 0.000) 6.566 9.361 ( -1.782 -3.938 0.000) 4.322 10.267 ( 1.523 -0.217 0.000) 1.538 10.303 ( -2.081 -1.156 0.000) 2.380 10.314 ( 1.616 -5.086 0.000) 5.337 10.350 ( -1.942 -5.973 0.000) 6.281 11.280 ( 8.632 2.107 0.000) 8.885 11.313 ( 10.195 -0.811 0.000) 10.227 11.459 ( -9.021 3.666 0.000) 9.737 11.523 ( -10.487 -2.077 0.000) 10.691 13.690 ( 3.586 9.411 0.000) 10.071 13.754 ( -2.725 10.107 0.000) 10.468 13.846 ( 4.334 -5.340 0.000) 6.877 13.911 ( -2.036 -4.623 0.000) 5.052 14.494 ( 1.178 7.644 0.000) 7.734 14.544 ( -3.854 5.521 0.000) 6.733 14.617 ( 0.610 -4.136 0.000) 4.181 14.640 ( -1.564 -3.605 0.000) 3.930 14.823 ( 1.005 1.516 0.000) 1.819 14.839 ( -0.624 2.731 0.000) 2.801 14.887 ( 1.663 -4.716 0.000) 5.001 14.921 ( -1.686 -5.070 0.000) 5.343 16.174 ( 3.630 1.619 0.000) 3.975 16.242 ( -3.076 1.604 0.000) 3.469 16.242 ( 3.470 -4.757 0.000) 5.888 16.305 ( -2.754 -4.317 0.000) 5.121 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( 0.000 0.000 13.437) 13.437 0.282 ( 0.000 0.000 12.203) 12.203 0.333 ( 0.000 0.000 15.878) 15.878 0.738 ( 0.000 0.000 -3.951) 3.951 0.814 ( 0.000 0.000 -6.536) 6.536 0.858 ( 0.000 0.000 -9.023) 9.023 0.914 ( 0.000 0.000 1.541) 1.541 0.936 ( 0.000 0.000 6.194) 6.194 1.012 ( 0.000 0.000 -2.799) 2.799 1.077 ( 0.000 0.000 2.513) 2.513 1.081 ( 0.000 0.000 7.640) 7.640 1.135 ( 0.000 0.000 2.138) 2.138 1.144 ( 0.000 0.000 -0.812) 0.812 1.206 ( 0.000 0.000 -1.192) 1.192 1.292 ( 0.000 0.000 0.142) 0.142 1.455 ( 0.000 0.000 -2.576) 2.576 1.482 ( 0.000 0.000 -9.603) 9.603 1.723 ( 0.000 0.000 -5.186) 5.186 1.757 ( 0.000 0.000 0.943) 0.943 1.784 ( 0.000 0.000 -0.174) 0.174 1.887 ( 0.000 0.000 4.553) 4.553 2.123 ( 0.000 0.000 -4.361) 4.361 2.314 ( 0.000 0.000 2.517) 2.517 2.366 ( 0.000 0.000 0.030) 0.030 2.684 ( 0.000 0.000 5.670) 5.670 2.962 ( 0.000 0.000 8.807) 8.807 2.986 ( 0.000 0.000 -7.406) 7.406 3.219 ( 0.000 0.000 -0.916) 0.916 3.323 ( 0.000 0.000 0.041) 0.041 3.326 ( 0.000 0.000 -0.073) 0.073 3.415 ( 0.000 0.000 2.466) 2.466 3.595 ( 0.000 0.000 -4.984) 4.984 3.887 ( 0.000 0.000 3.861) 3.861 4.052 ( 0.000 0.000 -2.887) 2.887 5.792 ( 0.000 0.000 1.941) 1.941 5.904 ( 0.000 0.000 -2.467) 2.467 6.979 ( 0.000 0.000 1.344) 1.344 7.015 ( 0.000 0.000 -0.229) 0.229 7.050 ( 0.000 0.000 3.931) 3.931 7.108 ( 0.000 0.000 2.338) 2.338 7.185 ( 0.000 0.000 1.706) 1.706 7.231 ( 0.000 0.000 -2.419) 2.419 7.265 ( 0.000 0.000 -4.204) 4.204 7.272 ( 0.000 0.000 -1.683) 1.683 9.191 ( 0.000 0.000 0.321) 0.321 9.196 ( 0.000 0.000 0.060) 0.060 9.366 ( 0.000 0.000 0.806) 0.806 9.405 ( 0.000 0.000 -0.725) 0.725 10.544 ( 0.000 0.000 5.785) 5.785 10.937 ( 0.000 0.000 -11.399) 11.399 11.233 ( 0.000 0.000 0.042) 0.042 11.235 ( 0.000 0.000 -0.057) 0.057 11.772 ( 0.000 0.000 13.523) 13.523 12.175 ( 0.000 0.000 0.932) 0.932 12.318 ( 0.000 0.000 0.566) 0.566 12.349 ( 0.000 0.000 -0.612) 0.612 12.417 ( 0.000 0.000 -4.895) 4.895 12.437 ( 0.000 0.000 -12.206) 12.206 13.036 ( 0.000 0.000 0.595) 0.595 13.065 ( 0.000 0.000 -0.535) 0.535 13.235 ( 0.000 0.000 6.727) 6.727 13.258 ( 0.000 0.000 3.578) 3.578 14.192 ( 0.000 0.000 3.192) 3.192 14.482 ( 0.000 0.000 -7.202) 7.202 14.662 ( 0.000 0.000 9.616) 9.616 15.101 ( 0.000 0.000 -5.499) 5.499 15.164 ( 0.000 0.000 1.490) 1.490 15.279 ( 0.000 0.000 -5.181) 5.181 16.655 ( 0.000 0.000 0.339) 0.339 16.667 ( 0.000 0.000 -0.164) 0.164 16.751 ( 0.000 0.000 1.860) 1.860 16.813 ( 0.000 0.000 -0.759) 0.759 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( 5.692 0.000 8.439) 10.179 0.405 ( 6.483 0.000 11.342) 13.064 0.477 ( 12.007 0.000 7.828) 14.333 0.795 ( 4.921 0.000 -4.005) 6.345 0.804 ( -4.440 0.000 -4.414) 6.260 0.848 ( 1.639 0.000 -2.580) 3.057 0.940 ( 1.627 0.000 -1.809) 2.433 0.987 ( 5.977 0.000 4.428) 7.439 1.007 ( -0.590 0.000 -2.711) 2.775 1.081 ( 0.455 0.000 2.264) 2.309 1.091 ( -0.101 0.000 6.102) 6.103 1.122 ( -0.790 0.000 1.580) 1.767 1.157 ( 0.814 0.000 -0.418) 0.915 1.201 ( -0.505 0.000 -1.155) 1.261 1.268 ( -3.443 0.000 5.335) 6.350 1.410 ( -2.049 0.000 -9.910) 10.120 1.468 ( -1.984 0.000 -8.541) 8.769 1.566 ( -9.610 0.000 -8.437) 12.788 1.760 ( 0.286 0.000 0.813) 0.862 1.781 ( -0.228 0.000 -0.084) 0.243 1.827 ( -5.375 0.000 5.155) 7.447 2.044 ( -7.267 0.000 -3.399) 8.022 2.217 ( -6.165 0.000 5.293) 8.125 2.337 ( -5.919 0.000 2.359) 6.372 2.747 ( 4.106 0.000 2.375) 4.743 2.806 ( -5.542 0.000 6.563) 8.590 2.953 ( -4.860 0.000 4.670) 6.740 3.028 ( -4.222 0.000 -0.322) 4.234 3.324 ( 0.027 0.000 0.028) 0.039 3.326 ( -0.028 0.000 -0.063) 0.069 3.674 ( 8.062 0.000 -3.013) 8.607 3.762 ( 12.398 0.000 -11.148) 16.673 3.922 ( 3.164 0.000 3.353) 4.610 4.079 ( 1.610 0.000 -2.827) 3.254 5.811 ( 1.884 0.000 1.735) 2.561 5.907 ( -0.150 0.000 -1.760) 1.767 6.999 ( 2.540 0.000 1.713) 3.064 7.045 ( 1.782 0.000 2.539) 3.102 7.114 ( 0.541 0.000 2.221) 2.286 7.173 ( -1.037 0.000 1.450) 1.782 7.196 ( 8.705 0.000 -11.902) 14.746 7.239 ( 0.702 0.000 -2.027) 2.145 7.250 ( -1.220 0.000 -3.873) 4.061 7.270 ( -0.215 0.000 -1.693) 1.706 9.224 ( 4.733 0.000 2.626) 5.413 9.318 ( 10.916 0.000 -1.194) 10.981 9.370 ( 0.373 0.000 0.655) 0.754 9.401 ( -0.368 0.000 -0.584) 0.690 10.246 ( -40.558 0.000 28.339) 49.478 10.409 ( -13.982 0.000 3.504) 14.415 11.233 ( 0.024 0.000 0.033) 0.040 11.235 ( -0.024 0.000 -0.048) 0.054 11.682 ( -0.814 0.000 7.066) 7.113 12.054 ( -16.562 0.000 -5.181) 17.353 12.321 ( 0.295 0.000 0.463) 0.549 12.331 ( 6.194 0.000 -4.859) 7.873 12.346 ( -0.275 0.000 -0.490) 0.562 12.629 ( -0.301 0.000 -14.903) 14.906 13.038 ( 0.265 0.000 0.477) 0.546 13.062 ( -0.282 0.000 -0.436) 0.520 13.251 ( 8.101 0.000 10.792) 13.494 13.453 ( 11.329 0.000 -0.117) 11.330 13.932 ( -14.158 0.000 16.393) 21.661 14.141 ( -6.043 0.000 1.581) 6.247 15.125 ( 3.062 0.000 -1.706) 3.505 15.164 ( 0.010 0.000 1.523) 1.523 15.267 ( 10.498 0.000 -6.155) 12.170 15.455 ( 15.372 0.000 -19.677) 24.970 16.659 ( 0.228 0.000 0.210) 0.309 16.668 ( 0.109 0.000 -0.038) 0.116 16.755 ( 0.503 0.000 1.548) 1.628 16.808 ( -0.658 0.000 -0.514) 0.835 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 11.090 0.000 1.607) 11.206 0.552 ( 7.814 0.000 4.809) 9.175 0.633 ( -2.279 0.000 -1.598) 2.784 0.695 ( -6.566 0.000 -0.234) 6.571 0.812 ( 0.106 0.000 4.984) 4.986 0.863 ( -0.086 0.000 0.230) 0.246 0.968 ( 1.271 0.000 -2.603) 2.897 0.990 ( -1.015 0.000 -2.640) 2.828 1.093 ( 0.689 0.000 1.916) 2.036 1.101 ( 3.642 0.000 1.731) 4.032 1.107 ( -0.737 0.000 1.738) 1.888 1.137 ( 5.236 0.000 2.704) 5.893 1.173 ( 0.789 0.000 -0.857) 1.165 1.188 ( -0.736 0.000 -1.078) 1.305 1.261 ( 3.192 0.000 -4.381) 5.420 1.336 ( -4.827 0.000 -11.813) 12.761 1.394 ( -1.748 0.000 -6.073) 6.319 1.454 ( -6.946 0.000 -5.418) 8.809 1.755 ( 2.111 0.000 8.401) 8.662 1.767 ( 0.425 0.000 0.503) 0.658 1.775 ( -0.390 0.000 0.164) 0.423 1.893 ( -8.538 0.000 4.881) 9.834 2.131 ( -0.857 0.000 -0.844) 1.203 2.195 ( -6.356 0.000 0.142) 6.358 2.776 ( 1.808 0.000 3.182) 3.660 2.817 ( -0.424 0.000 0.982) 1.070 2.888 ( 0.702 0.000 3.249) 3.324 2.952 ( -3.961 0.000 -0.857) 4.053 3.324 ( 0.044 0.000 -0.002) 0.044 3.325 ( -0.045 0.000 -0.037) 0.058 3.819 ( 5.849 0.000 -1.801) 6.120 3.879 ( 0.333 0.000 -3.699) 3.714 4.011 ( 5.188 0.000 -1.438) 5.384 4.082 ( -1.690 0.000 -2.483) 3.004 5.855 ( 2.267 0.000 1.015) 2.484 5.892 ( -1.371 0.000 -0.197) 1.385 7.049 ( 2.287 0.000 1.916) 2.984 7.076 ( 0.190 0.000 0.719) 0.744 7.129 ( 0.970 0.000 1.917) 2.149 7.150 ( -1.185 0.000 1.567) 1.965 7.245 ( 1.479 0.000 -5.180) 5.387 7.253 ( 0.648 0.000 -1.795) 1.909 7.264 ( -0.438 0.000 -1.722) 1.777 7.277 ( -0.045 0.000 -10.564) 10.564 9.374 ( 10.665 0.000 8.598) 13.699 9.379 ( 0.601 0.000 0.264) 0.657 9.392 ( -0.598 0.000 -0.209) 0.634 9.593 ( 8.195 0.000 4.264) 9.238 9.701 ( -8.891 0.000 13.419) 16.097 10.045 ( -21.568 0.000 -1.054) 21.594 11.234 ( 0.039 0.000 0.008) 0.040 11.234 ( -0.039 0.000 -0.023) 0.046 11.709 ( 3.147 0.000 2.630) 4.101 11.814 ( -8.117 0.000 -1.149) 8.198 12.329 ( 0.468 0.000 0.184) 0.503 12.338 ( -0.455 0.000 -0.180) 0.490 12.429 ( 4.897 0.000 -6.922) 8.480 12.540 ( -6.198 0.000 -10.545) 12.231 13.045 ( 0.438 0.000 0.180) 0.473 13.054 ( -0.448 0.000 -0.169) 0.479 13.454 ( 10.317 0.000 8.129) 13.135 13.593 ( -1.111 0.000 3.394) 3.571 13.823 ( 3.961 0.000 6.130) 7.299 13.986 ( -9.314 0.000 0.053) 9.314 15.157 ( 0.728 0.000 1.194) 1.398 15.164 ( -0.070 0.000 1.579) 1.580 15.449 ( 8.580 0.000 -4.201) 9.553 15.566 ( -2.084 0.000 -9.785) 10.005 16.664 ( 0.281 0.000 0.368) 0.463 16.668 ( -0.150 0.000 0.304) 0.339 16.769 ( 0.876 0.000 0.818) 1.199 16.789 ( -1.091 0.000 0.123) 1.098 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 0.000 8.279 7.692) 11.301 0.381 ( 0.000 13.560 7.299) 15.400 0.717 ( 0.000 0.280 -4.728) 4.736 0.804 ( 0.000 0.305 -6.467) 6.474 0.814 ( 0.000 18.912 3.131) 19.170 0.955 ( 0.000 8.358 7.240) 11.058 1.020 ( 0.000 9.165 -5.039) 10.459 1.033 ( 0.000 5.599 2.895) 6.304 1.103 ( 0.000 7.199 6.425) 9.650 1.121 ( 0.000 8.621 -2.343) 8.934 1.141 ( 0.000 7.096 0.988) 7.164 1.231 ( 0.000 8.990 1.218) 9.072 1.263 ( 0.000 9.725 -0.513) 9.739 1.310 ( 0.000 9.203 -0.373) 9.210 1.341 ( 0.000 5.420 4.274) 6.902 1.449 ( 0.000 0.814 -3.155) 3.258 1.532 ( 0.000 5.787 -11.541) 12.911 1.687 ( 0.000 -0.870 -5.882) 5.946 1.902 ( 0.000 2.539 3.754) 4.532 2.024 ( 0.000 13.053 -0.096) 13.053 2.184 ( 0.000 7.371 0.166) 7.373 2.201 ( 0.000 32.944 -0.975) 32.959 2.320 ( 0.000 -2.937 1.765) 3.426 2.330 ( 0.000 6.349 0.760) 6.395 2.688 ( 0.000 4.340 1.496) 4.591 2.732 ( 0.000 -10.675 3.510) 11.238 2.921 ( 0.000 -1.717 7.783) 7.971 3.105 ( 0.000 -0.545 0.799) 0.967 3.391 ( 0.000 1.906 2.314) 2.998 3.551 ( 0.000 1.460 -3.426) 3.724 3.713 ( 0.000 29.329 0.502) 29.334 3.718 ( 0.000 26.977 0.664) 26.985 3.878 ( 0.000 -0.440 3.563) 3.590 4.037 ( 0.000 -1.322 -2.775) 3.074 5.770 ( 0.000 -2.016 2.000) 2.839 5.884 ( 0.000 -1.848 -2.459) 3.076 6.873 ( 0.000 -6.885 1.132) 6.977 6.895 ( 0.000 -8.127 0.192) 8.129 6.980 ( 0.000 -2.336 3.678) 4.357 7.149 ( 0.000 -3.971 -2.846) 4.886 7.406 ( 0.000 15.671 1.401) 15.733 7.478 ( 0.000 14.517 -1.226) 14.569 7.555 ( 0.000 22.195 0.659) 22.205 7.974 ( 0.000 41.812 -30.861) 51.968 9.048 ( 0.000 -9.530 -0.223) 9.533 9.088 ( 0.000 -9.029 -1.350) 9.129 9.357 ( 0.000 -3.168 3.061) 4.405 9.469 ( 0.000 0.167 -0.713) 0.732 10.507 ( 0.000 -2.096 5.375) 5.770 10.738 ( 0.000 -8.406 4.996) 9.778 11.148 ( 0.000 -8.815 1.465) 8.936 11.228 ( 0.000 -4.056 0.026) 4.056 11.574 ( 0.000 -10.848 10.130) 14.842 12.150 ( 0.000 -13.096 -9.351) 16.091 12.244 ( 0.000 6.789 -1.242) 6.902 12.271 ( 0.000 -9.046 6.000) 10.855 12.370 ( 0.000 1.683 -9.763) 9.907 12.478 ( 0.000 -7.957 -4.759) 9.272 12.770 ( 0.000 -3.635 8.405) 9.158 13.151 ( 0.000 11.272 -8.441) 14.082 13.498 ( 0.000 4.158 16.183) 16.708 13.656 ( 0.000 24.091 3.765) 24.383 13.955 ( 0.000 -10.382 13.547) 17.067 14.142 ( 0.000 -2.893 -3.017) 4.180 14.650 ( 0.000 -0.631 9.520) 9.541 15.070 ( 0.000 -1.837 -6.712) 6.959 15.149 ( 0.000 -1.355 1.192) 1.804 15.207 ( 0.000 -4.227 -1.088) 4.365 16.624 ( 0.000 -3.010 0.313) 3.026 16.635 ( 0.000 -2.906 -0.245) 2.916 16.706 ( 0.000 -3.632 1.563) 3.954 16.772 ( 0.000 -3.603 -0.967) 3.731 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 4.753 12.056 4.991) 13.887 0.500 ( 8.176 7.882 6.571) 13.120 0.772 ( 4.281 0.249 -4.702) 6.364 0.831 ( 1.398 1.215 -2.715) 3.287 0.871 ( 5.212 19.687 2.545) 20.524 0.975 ( 2.980 3.566 4.017) 6.143 1.004 ( -1.653 11.999 -0.807) 12.139 1.036 ( 0.427 2.467 0.594) 2.574 1.092 ( -1.487 8.086 2.371) 8.557 1.134 ( 0.966 8.839 -0.460) 8.903 1.169 ( 3.099 6.422 2.769) 7.649 1.219 ( -0.618 8.971 0.219) 8.995 1.267 ( -2.092 6.462 1.163) 6.891 1.290 ( -1.132 9.424 0.589) 9.510 1.317 ( -1.429 7.093 2.948) 7.813 1.444 ( 0.663 3.814 -7.705) 8.623 1.501 ( -3.289 4.946 -9.532) 11.231 1.586 ( -7.261 2.251 -7.755) 10.860 1.846 ( -5.756 2.506 4.157) 7.529 1.955 ( -6.432 4.793 0.821) 8.063 2.175 ( -0.941 7.978 0.239) 8.037 2.184 ( -1.048 33.580 -0.209) 33.597 2.239 ( -5.126 13.010 2.057) 14.134 2.287 ( -5.008 0.518 1.280) 5.195 2.713 ( 0.072 -4.547 3.688) 5.855 2.740 ( 3.772 2.009 0.432) 4.295 2.884 ( -3.382 -3.059 5.555) 7.187 3.007 ( -5.462 -0.412 0.070) 5.478 3.557 ( 8.038 6.730 -1.137) 10.545 3.609 ( 3.641 9.022 -1.781) 9.890 3.736 ( 3.100 19.276 -0.015) 19.524 3.762 ( 4.860 18.740 -0.328) 19.363 3.915 ( 3.323 -0.342 2.716) 4.306 4.054 ( 1.177 -1.621 -2.512) 3.213 5.788 ( 1.728 -2.090 1.767) 3.237 5.882 ( -0.366 -2.044 -1.818) 2.760 6.892 ( 2.017 -6.821 1.135) 7.203 6.939 ( 2.666 -8.492 0.409) 8.910 6.990 ( 1.475 -3.189 2.158) 4.123 7.134 ( -1.403 -4.380 -2.615) 5.290 7.437 ( 3.036 16.360 0.359) 16.643 7.487 ( 0.864 15.117 -1.061) 15.179 7.551 ( -0.273 23.546 0.990) 23.569 7.891 ( -7.499 39.700 -22.794) 46.389 9.087 ( 3.878 -10.533 0.396) 11.231 9.139 ( 4.597 -10.913 -1.465) 11.931 9.365 ( 0.981 -3.459 3.752) 5.196 9.480 ( 1.157 -1.721 0.692) 2.186 10.275 ( -29.499 7.127 18.626) 35.608 10.392 ( -11.627 0.125 3.123) 12.040 11.191 ( 2.004 -5.534 -0.101) 5.887 11.226 ( -0.077 -3.187 0.018) 3.188 11.574 ( 0.821 -8.308 5.375) 9.929 11.930 ( -13.941 -8.438 -5.447) 17.182 12.259 ( 1.294 -6.569 -0.244) 6.700 12.314 ( 1.006 -2.078 -0.462) 2.354 12.452 ( 2.473 6.589 -4.843) 8.543 12.484 ( 0.599 -10.564 -4.653) 11.559 12.856 ( 6.785 -7.402 1.253) 10.119 13.123 ( -3.097 9.145 -10.075) 13.954 13.511 ( 1.936 12.505 11.868) 17.349 13.756 ( 8.283 14.807 6.050) 18.012 13.781 ( -7.677 -0.059 12.404) 14.588 14.151 ( -2.126 2.258 -1.523) 3.455 15.031 ( 22.339 -18.493 -2.782) 29.133 15.104 ( 2.569 -2.431 -3.046) 4.668 15.149 ( 0.114 -1.318 1.115) 1.730 15.236 ( 3.284 -7.153 -2.459) 8.246 16.626 ( 0.223 -3.047 0.290) 3.069 16.635 ( 0.011 -2.956 -0.101) 2.958 16.713 ( 0.718 -3.603 1.350) 3.914 16.767 ( -0.579 -3.582 -0.653) 3.687 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 7.813 10.225 3.471) 13.328 0.634 ( 2.410 9.093 1.461) 9.520 0.790 ( -3.078 0.279 3.937) 5.005 0.816 ( -1.355 1.364 0.053) 1.924 0.952 ( 1.687 16.459 -0.116) 16.546 0.965 ( -0.706 15.124 -1.394) 15.204 1.059 ( 2.157 1.831 1.493) 3.199 1.072 ( 1.511 3.932 0.534) 4.246 1.097 ( 4.351 3.813 -0.568) 5.813 1.134 ( -1.142 10.255 0.091) 10.319 1.208 ( 0.309 7.906 0.891) 7.962 1.244 ( 1.303 10.262 -0.033) 10.345 1.259 ( 4.818 3.190 0.867) 5.843 1.268 ( -0.457 5.068 -3.184) 6.003 1.325 ( 1.584 9.937 0.989) 10.111 1.390 ( -4.972 6.089 -9.224) 12.120 1.443 ( -2.373 6.280 -6.869) 9.605 1.476 ( -5.819 3.268 -4.108) 7.837 1.737 ( -1.275 -0.233 6.284) 6.416 1.818 ( -6.947 -2.140 3.100) 7.903 2.141 ( -1.236 3.582 -0.542) 3.828 2.159 ( -2.297 16.773 -0.385) 16.934 2.185 ( -0.070 27.878 0.544) 27.884 2.203 ( -2.321 19.299 -0.288) 19.440 2.739 ( 2.248 -2.051 2.942) 4.233 2.789 ( -1.621 -0.911 1.544) 2.417 2.842 ( 2.156 -2.176 1.944) 3.628 2.915 ( -4.233 -1.577 -0.531) 4.548 3.634 ( 1.362 21.012 -0.457) 21.061 3.642 ( 0.341 21.942 -0.417) 21.949 3.819 ( 4.000 5.610 -0.189) 6.892 3.849 ( 1.679 3.575 -0.651) 4.003 3.995 ( 4.415 -0.525 -0.497) 4.474 4.056 ( -1.400 -1.481 -2.099) 2.926 5.829 ( 2.190 -2.211 0.898) 3.239 5.865 ( -1.372 -2.203 -0.442) 2.633 6.935 ( 1.910 -6.680 1.363) 7.080 6.958 ( -0.321 -6.161 1.831) 6.435 7.043 ( 3.055 -5.983 -1.054) 6.800 7.097 ( -2.376 -5.295 -1.971) 6.129 7.494 ( 1.491 16.161 -1.105) 16.267 7.506 ( 0.383 15.115 -1.144) 15.163 7.579 ( 4.939 29.300 -0.564) 29.719 7.724 ( -8.717 33.559 -9.762) 36.020 9.179 ( 4.499 -12.142 0.796) 12.973 9.216 ( 1.533 -12.959 -1.148) 13.099 9.407 ( 3.711 -5.442 7.113) 9.694 9.490 ( -2.241 -9.804 8.491) 13.162 9.925 ( -2.652 18.361 5.361) 19.310 10.105 ( -15.581 7.810 -0.909) 17.453 11.218 ( 0.785 -3.254 -0.076) 3.348 11.225 ( -0.099 -2.712 -0.066) 2.715 11.612 ( 3.179 -7.696 2.259) 8.628 11.713 ( -7.761 -7.481 -1.289) 10.856 12.283 ( 1.336 -9.106 -0.703) 9.230 12.309 ( -1.137 -6.974 -0.943) 7.128 12.474 ( 0.651 7.005 -3.325) 7.781 12.486 ( -0.470 -0.030 -3.616) 3.647 12.970 ( 4.514 -5.936 -4.770) 8.853 13.048 ( -3.944 1.365 -8.052) 9.070 13.582 ( 4.681 10.177 11.180) 15.826 13.673 ( -4.543 4.123 11.831) 13.327 13.925 ( 8.255 12.480 1.128) 15.006 14.068 ( -6.066 8.025 -1.092) 10.119 15.138 ( 0.911 -1.838 0.553) 2.124 15.147 ( -0.128 -1.667 1.290) 2.112 15.292 ( 5.700 -14.041 -4.452) 15.795 15.321 ( 3.011 -16.080 -4.478) 16.961 16.631 ( 0.243 -3.042 0.303) 3.066 16.635 ( -0.115 -3.043 0.184) 3.051 16.731 ( 1.010 -3.467 0.741) 3.686 16.751 ( -0.974 -3.438 0.009) 3.573 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 0.000 10.717 3.349) 11.228 0.690 ( 0.000 14.278 4.172) 14.876 0.760 ( 0.000 4.314 -5.324) 6.852 0.836 ( 0.000 2.330 -3.289) 4.031 0.918 ( 0.000 3.069 2.344) 3.862 1.046 ( 0.000 1.185 6.710) 6.814 1.146 ( 0.000 5.473 -3.688) 6.600 1.252 ( 0.000 5.168 -2.816) 5.886 1.331 ( 0.000 4.545 0.947) 4.642 1.351 ( 0.000 15.267 1.102) 15.306 1.428 ( 0.000 21.935 3.143) 22.159 1.464 ( 0.000 12.947 0.668) 12.964 1.496 ( 0.000 12.092 -0.940) 12.128 1.519 ( 0.000 14.093 2.283) 14.277 1.533 ( 0.000 11.200 -0.071) 11.200 1.576 ( 0.000 11.084 -3.748) 11.700 1.696 ( 0.000 2.328 -3.547) 4.242 1.728 ( 0.000 12.122 -7.015) 14.005 1.958 ( 0.000 2.036 3.891) 4.392 2.106 ( 0.000 -0.494 -0.986) 1.103 2.257 ( 0.000 4.268 0.103) 4.270 2.317 ( 0.000 3.505 -0.833) 3.603 2.464 ( 0.000 0.439 4.103) 4.126 2.619 ( 0.000 1.263 -3.083) 3.331 2.853 ( 0.000 12.230 4.756) 13.122 2.865 ( 0.000 0.005 5.013) 5.013 3.235 ( 0.000 38.967 -0.522) 38.970 3.293 ( 0.000 28.186 -1.632) 28.233 3.452 ( 0.000 4.652 1.590) 4.916 3.562 ( 0.000 1.903 -2.726) 3.324 3.892 ( 0.000 3.324 2.252) 4.015 4.011 ( 0.000 0.123 -2.460) 2.463 4.452 ( 0.000 40.725 0.680) 40.731 4.457 ( 0.000 40.596 0.370) 40.598 5.718 ( 0.000 -2.712 2.189) 3.485 5.837 ( 0.000 -2.354 -2.465) 3.408 6.721 ( 0.000 -8.700 0.706) 8.729 6.754 ( 0.000 -4.641 -0.771) 4.705 6.927 ( 0.000 -2.592 2.910) 3.897 7.054 ( 0.000 -5.328 -2.164) 5.750 7.731 ( 0.000 14.473 0.479) 14.481 7.747 ( 0.000 9.719 0.095) 9.719 8.039 ( 0.000 21.283 4.463) 21.746 8.407 ( 0.000 0.072 -9.463) 9.464 8.893 ( 0.000 -8.121 -2.082) 8.384 8.958 ( 0.000 4.569 -8.783) 9.901 9.172 ( 0.000 -13.988 6.162) 15.285 9.349 ( 0.000 -8.616 1.005) 8.674 10.527 ( 0.000 4.484 5.880) 7.395 10.788 ( 0.000 9.305 -0.744) 9.335 10.894 ( 0.000 -14.538 3.302) 14.909 11.058 ( 0.000 -9.246 1.765) 9.413 11.388 ( 0.000 -8.460 0.957) 8.514 11.850 ( 0.000 -15.027 -9.658) 17.863 12.082 ( 0.000 -9.643 2.140) 9.878 12.171 ( 0.000 -14.544 -1.758) 14.650 12.485 ( 0.000 12.966 -4.260) 13.648 12.489 ( 0.000 9.383 -7.281) 11.877 12.852 ( 0.000 7.443 11.699) 13.866 13.175 ( 0.000 -4.641 10.985) 11.925 13.615 ( 0.000 13.218 3.940) 13.793 14.079 ( 0.000 11.591 0.595) 11.606 14.183 ( 0.000 11.996 -8.409) 14.650 14.203 ( 0.000 18.467 0.158) 18.468 14.657 ( 0.000 1.539 9.339) 9.465 15.018 ( 0.000 -3.284 -6.181) 6.999 15.119 ( 0.000 -1.293 0.650) 1.447 15.141 ( 0.000 -1.361 0.013) 1.361 16.538 ( 0.000 -5.097 0.333) 5.108 16.556 ( 0.000 -4.612 -0.523) 4.642 16.617 ( 0.000 -4.634 1.613) 4.907 16.685 ( 0.000 -4.386 -1.143) 4.533 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 6.295 9.629 1.658) 11.623 0.722 ( 2.945 12.088 5.030) 13.420 0.805 ( 3.463 3.893 -3.787) 6.441 0.878 ( 3.850 3.341 -1.202) 5.237 0.971 ( 5.044 2.658 0.950) 5.780 1.070 ( 2.277 2.432 5.098) 6.090 1.143 ( 0.018 5.687 -0.917) 5.760 1.237 ( -3.017 5.665 -1.450) 6.581 1.278 ( -2.339 4.391 -1.399) 5.168 1.328 ( -2.408 12.319 0.361) 12.557 1.435 ( -1.394 16.059 0.434) 16.125 1.451 ( -0.343 15.094 -0.629) 15.111 1.472 ( -0.340 14.211 0.767) 14.236 1.521 ( -1.065 11.290 0.076) 11.340 1.553 ( 1.528 13.957 1.007) 14.076 1.594 ( 1.482 11.000 -4.171) 11.858 1.644 ( -3.724 6.205 -2.248) 7.578 1.704 ( -2.383 11.119 -4.681) 12.297 1.908 ( -5.168 2.908 2.383) 6.391 1.980 ( -10.619 0.593 0.885) 10.672 2.247 ( -0.763 5.455 -0.824) 5.569 2.274 ( -2.801 3.828 -0.687) 4.793 2.526 ( 4.168 0.565 2.445) 4.865 2.627 ( 0.403 1.069 -2.643) 2.880 2.820 ( -2.463 4.265 5.248) 7.197 2.845 ( -1.937 3.892 4.135) 6.000 3.212 ( -1.610 39.446 -0.964) 39.491 3.227 ( -3.301 32.513 -0.865) 32.691 3.583 ( 8.683 2.049 0.272) 8.926 3.632 ( 5.566 1.220 -1.533) 5.901 3.926 ( 3.052 3.090 1.600) 4.628 4.024 ( 0.906 0.208 -2.158) 2.350 4.453 ( 0.117 40.645 0.547) 40.649 4.459 ( 0.110 40.390 0.298) 40.391 5.736 ( 1.740 -2.622 1.849) 3.650 5.833 ( -0.491 -2.368 -1.918) 3.087 6.755 ( 2.877 -8.539 0.228) 9.014 6.773 ( 1.785 -5.349 -0.445) 5.656 6.929 ( 0.296 -2.843 2.389) 3.725 7.035 ( -1.847 -5.420 -1.776) 5.995 7.754 ( 2.020 13.291 -0.036) 13.444 7.767 ( 1.659 10.567 -0.165) 10.698 8.067 ( 3.047 22.309 4.150) 22.895 8.387 ( -2.351 4.475 -8.573) 9.952 8.899 ( 0.524 -7.227 -2.782) 7.762 8.956 ( -0.049 -1.053 -6.372) 6.459 9.174 ( 0.358 -13.413 6.592) 14.949 9.324 ( -2.505 -9.549 2.595) 10.208 10.474 ( -4.948 8.034 3.968) 10.236 10.563 ( -14.417 16.384 3.395) 22.087 10.987 ( 4.255 -12.707 0.249) 13.403 11.059 ( 0.146 -11.029 0.655) 11.050 11.399 ( 1.192 -8.711 1.527) 8.924 11.730 ( -10.011 -11.567 -7.198) 16.907 12.078 ( -0.188 -9.738 1.431) 9.844 12.140 ( -2.179 -12.399 -1.032) 12.631 12.489 ( 2.203 8.516 -1.127) 8.868 12.595 ( 5.253 7.914 -7.282) 11.969 12.829 ( 0.221 4.902 6.175) 7.887 13.202 ( -1.165 -1.280 -2.071) 2.699 13.653 ( 4.459 10.453 10.244) 15.300 13.954 ( -6.850 13.381 7.422) 16.765 14.190 ( 2.229 18.594 -2.529) 18.897 14.283 ( 2.529 10.798 -3.629) 11.669 14.808 ( 11.675 -4.436 2.854) 12.811 15.030 ( 1.074 -4.618 -5.302) 7.113 15.120 ( 0.196 -1.204 0.602) 1.361 15.141 ( -0.031 -1.650 0.052) 1.651 16.541 ( 0.256 -5.046 0.330) 5.063 16.556 ( -0.030 -4.580 -0.364) 4.595 16.624 ( 0.755 -4.642 1.360) 4.896 16.680 ( -0.514 -4.375 -0.864) 4.489 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 6.251 8.296 1.518) 10.498 0.797 ( 4.059 6.954 5.581) 9.797 0.848 ( 0.779 3.231 -3.152) 4.580 0.913 ( -3.444 11.207 4.335) 12.500 1.057 ( 3.512 2.815 0.563) 4.536 1.102 ( 1.144 4.045 2.380) 4.831 1.183 ( 1.116 4.332 -5.248) 6.895 1.228 ( 1.220 4.101 -1.848) 4.661 1.244 ( 2.577 5.525 -0.667) 6.133 1.291 ( 0.629 6.099 -1.043) 6.219 1.377 ( -3.668 11.145 -1.606) 11.842 1.415 ( -4.851 10.827 -1.653) 11.979 1.473 ( 0.878 14.098 0.808) 14.149 1.517 ( -2.135 12.240 -0.533) 12.436 1.545 ( 1.239 12.443 2.251) 12.705 1.605 ( -2.324 11.810 -1.353) 12.112 1.618 ( 2.042 12.462 -0.909) 12.661 1.671 ( -0.643 13.261 -2.986) 13.608 1.769 ( -5.703 5.040 2.274) 7.943 1.803 ( -6.094 2.537 0.161) 6.603 2.233 ( -0.389 6.812 -1.604) 7.009 2.238 ( -0.889 5.869 -1.482) 6.118 2.592 ( 2.434 0.308 0.533) 2.511 2.624 ( -0.872 0.424 -1.483) 1.772 2.787 ( -0.389 1.604 5.057) 5.320 2.805 ( -1.822 2.563 4.116) 5.180 3.189 ( -0.670 39.101 -0.983) 39.119 3.190 ( -0.772 38.688 -0.932) 38.707 3.712 ( 3.798 -0.797 -0.145) 3.883 3.723 ( 2.641 -0.649 -0.344) 2.742 3.990 ( 2.969 2.371 0.055) 3.800 4.028 ( -0.800 1.028 -1.342) 1.870 4.457 ( 0.223 40.297 0.307) 40.299 4.460 ( -0.064 40.142 0.202) 40.143 5.777 ( 2.223 -2.479 0.815) 3.428 5.815 ( -1.448 -2.397 -0.622) 2.869 6.803 ( 1.591 -6.547 -0.032) 6.738 6.809 ( 1.177 -7.408 -0.043) 7.501 6.945 ( 1.556 -4.000 0.917) 4.389 6.989 ( -2.605 -5.290 -0.730) 5.941 7.790 ( 1.224 11.791 -0.558) 11.867 7.794 ( 0.792 11.434 -0.552) 11.475 8.164 ( 6.669 22.411 1.506) 23.430 8.302 ( -6.358 15.620 -4.314) 17.407 8.920 ( 1.729 -9.715 -2.630) 10.212 8.951 ( -0.914 -9.918 -3.768) 10.649 9.196 ( 2.179 -11.651 6.917) 13.723 9.258 ( -3.752 -10.709 5.489) 12.605 10.359 ( -4.330 21.572 1.291) 22.040 10.373 ( -4.712 17.059 0.885) 17.720 11.045 ( 1.763 -12.894 -0.154) 13.014 11.061 ( -0.087 -12.483 -0.200) 12.485 11.440 ( 3.301 -9.028 0.901) 9.654 11.544 ( -7.652 -9.394 -2.504) 12.372 12.080 ( 0.524 -10.092 0.515) 10.119 12.102 ( -1.620 -10.883 -0.208) 11.005 12.549 ( 3.551 6.008 0.904) 7.037 12.613 ( -2.437 5.983 0.239) 6.464 12.922 ( 8.058 3.562 -7.172) 11.361 13.093 ( -8.443 3.119 -10.592) 13.900 13.764 ( 5.550 9.004 13.644) 17.264 13.855 ( -4.079 11.667 12.234) 17.390 14.247 ( 3.140 16.149 -2.132) 16.589 14.294 ( -1.192 12.834 -2.511) 13.132 14.994 ( 6.026 -9.507 -2.019) 11.435 15.046 ( -0.077 -7.597 -3.677) 8.441 15.127 ( 0.506 -1.231 0.489) 1.418 15.138 ( -0.386 -2.013 0.163) 2.056 16.547 ( 0.347 -4.882 0.256) 4.900 16.553 ( -0.232 -4.671 -0.001) 4.677 16.644 ( 1.152 -4.539 0.650) 4.728 16.665 ( -0.967 -4.401 -0.185) 4.509 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 0.000 8.260 -0.693) 8.289 0.815 ( 0.000 1.795 -0.231) 1.810 0.890 ( 0.000 4.776 1.952) 5.159 0.926 ( 0.000 5.900 2.601) 6.448 1.033 ( 0.000 7.855 -1.281) 7.958 1.118 ( 0.000 6.644 5.912) 8.894 1.241 ( 0.000 2.735 -4.751) 5.482 1.348 ( 0.000 3.785 -3.478) 5.141 1.390 ( 0.000 3.584 1.366) 3.836 1.568 ( 0.000 2.836 -4.918) 5.677 1.718 ( 0.000 11.800 2.598) 12.083 1.742 ( 0.000 12.942 -0.998) 12.980 1.761 ( 0.000 11.969 -1.193) 12.028 1.823 ( 0.000 12.253 -2.229) 12.454 1.824 ( 0.000 10.404 1.675) 10.538 1.842 ( 0.000 15.312 1.443) 15.379 1.866 ( 0.000 18.049 1.010) 18.077 1.941 ( 0.000 6.339 -1.153) 6.443 1.986 ( 0.000 2.182 2.882) 3.615 2.094 ( 0.000 1.760 -1.852) 2.555 2.343 ( 0.000 1.142 -0.750) 1.367 2.399 ( 0.000 2.272 -1.561) 2.757 2.490 ( 0.000 3.936 4.134) 5.708 2.684 ( 0.000 3.378 -5.950) 6.842 2.886 ( 0.000 3.692 4.322) 5.685 2.934 ( 0.000 4.214 3.736) 5.632 3.588 ( 0.000 9.294 0.412) 9.303 3.639 ( 0.000 7.504 -2.041) 7.777 3.794 ( 0.000 8.498 1.804) 8.687 3.839 ( 0.000 8.930 -0.369) 8.938 4.249 ( 0.000 30.155 -0.600) 30.161 4.266 ( 0.000 34.914 -1.235) 34.936 5.304 ( 0.000 40.929 0.320) 40.930 5.306 ( 0.000 40.766 0.239) 40.766 5.686 ( 0.000 0.900 2.422) 2.584 5.813 ( 0.000 1.019 -2.489) 2.690 6.553 ( 0.000 -7.022 1.913) 7.278 6.691 ( 0.000 -1.189 -3.969) 4.143 6.894 ( 0.000 0.069 2.072) 2.073 6.947 ( 0.000 -4.121 -0.555) 4.158 7.816 ( 0.000 -2.708 3.650) 4.544 7.947 ( 0.000 5.928 -1.468) 6.107 8.201 ( 0.000 -14.413 0.152) 14.414 8.258 ( 0.000 -3.656 -2.513) 4.436 8.827 ( 0.000 1.858 3.197) 3.698 8.954 ( 0.000 -1.927 8.170) 8.395 9.060 ( 0.000 0.784 -5.886) 5.938 9.296 ( 0.000 5.177 -5.725) 7.718 10.598 ( 0.000 -9.187 3.309) 9.765 10.669 ( 0.000 4.070 8.399) 9.333 10.761 ( 0.000 -8.599 -3.144) 9.156 11.101 ( 0.000 3.251 6.819) 7.555 11.235 ( 0.000 -1.477 -11.148) 11.245 11.559 ( 0.000 -13.418 -7.899) 15.571 11.863 ( 0.000 -11.230 1.894) 11.389 11.902 ( 0.000 -11.423 0.121) 11.423 12.693 ( 0.000 9.883 -3.426) 10.460 12.733 ( 0.000 10.789 -3.989) 11.503 13.087 ( 0.000 15.437 8.489) 17.617 13.225 ( 0.000 9.713 9.060) 13.283 13.854 ( 0.000 9.147 0.809) 9.183 14.213 ( 0.000 5.709 -9.870) 11.402 14.492 ( 0.000 12.448 0.486) 12.457 14.512 ( 0.000 10.450 0.208) 10.452 14.708 ( 0.000 3.058 7.128) 7.756 14.956 ( 0.000 -2.342 -3.665) 4.349 15.107 ( 0.000 0.268 0.697) 0.747 15.155 ( 0.000 2.180 -1.249) 2.512 16.423 ( 0.000 -5.944 0.545) 5.969 16.457 ( 0.000 -4.724 -1.078) 4.845 16.532 ( 0.000 -3.408 2.020) 3.962 16.607 ( 0.000 -3.077 -1.200) 3.303 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 1.952 5.074 -0.497) 5.460 0.851 ( 3.379 2.674 -1.231) 4.481 0.899 ( 0.683 2.936 4.684) 5.570 0.998 ( 5.942 8.223 1.958) 10.333 1.070 ( 3.777 6.077 -2.189) 7.482 1.143 ( 3.133 5.520 5.497) 8.397 1.252 ( 1.038 3.397 -5.542) 6.583 1.315 ( -4.471 3.555 2.247) 6.138 1.368 ( -0.257 5.384 -3.013) 6.175 1.513 ( -5.121 3.597 -4.982) 7.999 1.661 ( -5.161 9.374 2.113) 10.907 1.718 ( -5.320 8.490 -0.632) 10.039 1.753 ( 0.247 12.365 -0.172) 12.369 1.792 ( -1.162 12.486 -0.627) 12.555 1.826 ( -0.828 12.102 0.066) 12.130 1.849 ( 0.216 12.871 0.455) 12.881 1.890 ( 1.799 16.050 -0.030) 16.151 1.914 ( -1.182 9.633 0.485) 9.717 1.970 ( -1.721 4.824 1.846) 5.444 2.051 ( -3.429 6.647 -1.916) 7.721 2.344 ( 0.386 2.075 0.076) 2.111 2.396 ( -0.245 5.593 -1.597) 5.821 2.507 ( 1.247 -0.554 2.912) 3.216 2.654 ( -2.876 0.946 -4.562) 5.475 2.872 ( -0.737 6.051 3.707) 7.134 2.919 ( -1.356 5.609 3.017) 6.512 3.646 ( 4.999 7.607 0.299) 9.108 3.679 ( 3.499 6.883 -1.262) 7.824 3.806 ( 0.934 9.169 1.428) 9.326 3.845 ( 0.361 9.507 -0.364) 9.521 4.255 ( 0.488 29.574 -0.692) 29.586 4.267 ( 0.122 33.505 -1.163) 33.526 5.304 ( 0.043 40.908 0.305) 40.910 5.306 ( 0.025 40.755 0.244) 40.756 5.707 ( 1.953 1.026 1.982) 2.965 5.809 ( -0.461 1.065 -1.974) 2.290 6.586 ( 2.969 -7.119 1.605) 7.878 6.698 ( 0.531 -1.910 -3.125) 3.701 6.891 ( -0.243 -0.225 1.526) 1.561 6.931 ( -1.457 -3.645 -0.394) 3.945 7.848 ( 2.899 -2.209 2.926) 4.674 7.952 ( 0.281 5.013 -1.175) 5.156 8.205 ( 0.425 -14.658 0.203) 14.665 8.263 ( 0.234 -6.648 -2.378) 7.065 8.851 ( 2.501 4.355 3.125) 5.915 8.958 ( 0.434 -1.103 6.564) 6.671 9.061 ( 0.117 0.920 -4.287) 4.386 9.255 ( -4.045 5.231 -4.526) 8.014 10.617 ( 2.011 -6.492 2.733) 7.325 10.678 ( 1.073 6.042 6.445) 8.899 10.773 ( 0.910 -9.629 -2.377) 9.960 11.037 ( -6.839 10.051 0.167) 12.158 11.215 ( -0.480 -8.046 -2.897) 8.565 11.482 ( -7.021 -12.017 -6.390) 15.315 11.854 ( -0.595 -12.111 1.399) 12.206 11.894 ( -0.864 -10.993 -0.248) 11.030 12.691 ( 0.507 10.398 -1.110) 10.470 12.763 ( 1.389 8.561 -3.072) 9.201 13.056 ( -0.288 15.764 3.808) 16.219 13.271 ( 1.429 9.158 2.482) 9.595 13.871 ( 2.265 9.128 4.084) 10.253 14.164 ( -4.500 7.555 -0.421) 8.804 14.482 ( 0.936 10.008 -1.605) 10.179 14.536 ( 0.893 10.966 -1.001) 11.048 14.782 ( 5.788 0.617 3.541) 6.813 14.952 ( -0.398 -2.533 -3.166) 4.074 15.111 ( 0.385 0.317 0.461) 0.679 15.152 ( -0.396 1.969 -1.198) 2.339 16.428 ( 0.465 -5.792 0.521) 5.834 16.458 ( -0.039 -4.727 -0.821) 4.798 16.539 ( 0.787 -3.408 1.619) 3.854 16.602 ( -0.523 -3.075 -0.996) 3.275 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 2.382 2.332 0.590) 3.385 0.890 ( -0.742 1.633 1.247) 2.185 0.953 ( 5.842 3.196 1.939) 6.936 1.057 ( -2.553 2.849 1.564) 4.133 1.164 ( 5.259 7.279 0.676) 9.005 1.228 ( -2.242 6.359 2.595) 7.225 1.267 ( 7.016 3.754 -0.846) 8.002 1.294 ( 4.163 5.952 -3.729) 8.164 1.383 ( 0.013 4.899 -1.976) 5.283 1.402 ( -2.811 5.973 -4.287) 7.871 1.520 ( -8.079 4.088 1.922) 9.256 1.553 ( -9.816 3.350 0.822) 10.404 1.763 ( 0.811 12.628 -0.602) 12.669 1.777 ( -0.621 13.180 -0.884) 13.224 1.815 ( -0.012 12.988 -0.616) 13.002 1.831 ( -1.484 11.307 -1.141) 11.461 1.908 ( 1.089 12.995 1.648) 13.144 1.932 ( -0.705 10.927 0.919) 10.988 1.942 ( 1.421 13.866 -0.061) 13.938 1.988 ( -2.771 11.710 -1.508) 12.128 2.362 ( 1.320 4.352 0.489) 4.574 2.386 ( -0.929 6.670 -0.293) 6.741 2.536 ( 1.958 -3.590 0.043) 4.089 2.588 ( -3.303 -2.111 -2.363) 4.577 2.871 ( 0.582 7.993 2.803) 8.490 2.891 ( -1.345 7.522 2.559) 8.059 3.738 ( 3.195 4.696 0.128) 5.681 3.745 ( 2.410 5.201 -0.060) 5.732 3.821 ( 0.629 11.628 0.546) 11.658 3.841 ( -0.960 11.194 -0.256) 11.238 4.265 ( 0.442 29.063 -0.870) 29.079 4.269 ( -0.006 30.605 -1.024) 30.622 5.305 ( 0.063 40.852 0.281) 40.853 5.306 ( -0.019 40.783 0.258) 40.783 5.752 ( 2.364 1.179 0.791) 2.758 5.791 ( -1.454 1.162 -0.709) 1.992 6.652 ( 3.254 -6.524 0.766) 7.330 6.697 ( -1.098 -4.239 -1.014) 4.494 6.889 ( 0.137 -0.936 0.395) 1.025 6.902 ( -1.212 -2.108 -0.173) 2.438 7.910 ( 2.927 -0.019 1.205) 3.166 7.948 ( -0.891 2.905 -0.300) 3.053 8.223 ( 1.486 -15.259 -0.152) 15.332 8.254 ( -1.259 -12.728 -1.429) 12.870 8.920 ( 3.852 8.431 2.391) 9.573 8.964 ( -0.403 2.850 3.251) 4.343 9.073 ( 1.763 0.742 -1.205) 2.261 9.152 ( -5.721 3.793 -1.761) 7.087 10.675 ( 3.420 0.027 1.702) 3.820 10.707 ( 0.996 9.727 3.443) 10.367 10.788 ( 1.323 -9.150 -2.418) 9.556 10.878 ( -7.620 7.838 -2.538) 11.222 11.238 ( 2.858 -10.724 0.995) 11.143 11.333 ( -6.889 -10.799 -2.286) 13.012 11.851 ( 0.470 -12.232 0.353) 12.247 11.871 ( -1.333 -11.418 -0.304) 11.499 12.716 ( 1.884 9.793 0.884) 10.012 12.756 ( -1.766 8.520 0.790) 8.737 13.115 ( 5.564 13.766 -4.926) 15.644 13.230 ( -5.056 10.761 -5.922) 13.282 13.951 ( 5.431 8.328 9.334) 13.637 14.062 ( -5.556 8.216 8.331) 12.953 14.516 ( 1.901 9.297 -3.027) 9.961 14.541 ( -0.462 9.892 -2.167) 10.137 14.883 ( 4.005 -2.267 -0.016) 4.602 14.936 ( -1.500 -2.920 -1.886) 3.786 15.123 ( 0.799 0.641 -0.213) 1.047 15.139 ( -0.812 1.342 -0.902) 1.809 16.440 ( 0.695 -5.398 0.348) 5.454 16.452 ( -0.519 -4.955 -0.142) 4.984 16.561 ( 1.343 -3.288 0.565) 3.596 16.586 ( -1.089 -3.131 -0.400) 3.339 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 0.223 0.525) 0.571 0.845 ( 0.000 0.038 -0.966) 0.967 0.983 ( 0.000 1.132 3.893) 4.054 1.076 ( 0.000 9.365 1.797) 9.536 1.192 ( 0.000 6.584 -1.239) 6.700 1.264 ( 0.000 5.939 3.456) 6.871 1.267 ( 0.000 0.520 -4.774) 4.802 1.386 ( 0.000 0.707 0.079) 0.712 1.481 ( 0.000 3.406 -1.223) 3.618 1.566 ( 0.000 -1.433 -3.113) 3.427 1.843 ( 0.000 0.972 2.007) 2.230 1.912 ( 0.000 1.780 -1.606) 2.398 1.988 ( 0.000 4.418 0.034) 4.418 2.001 ( 0.000 8.834 -0.556) 8.852 2.053 ( 0.000 12.434 0.305) 12.438 2.072 ( 0.000 10.501 -0.607) 10.518 2.097 ( 0.000 10.603 1.138) 10.664 2.131 ( 0.000 9.970 3.568) 10.590 2.193 ( 0.000 6.377 -1.439) 6.537 2.230 ( 0.000 15.065 -0.620) 15.078 2.336 ( 0.000 0.636 -0.437) 0.772 2.395 ( 0.000 -2.121 -1.532) 2.616 2.559 ( 0.000 2.231 2.947) 3.696 2.668 ( 0.000 -3.415 -1.999) 3.957 3.056 ( 0.000 12.270 2.623) 12.548 3.140 ( 0.000 13.752 -0.542) 13.762 3.828 ( 0.000 12.997 -0.769) 13.019 3.848 ( 0.000 11.150 -1.856) 11.303 3.930 ( 0.000 5.061 1.202) 5.202 3.932 ( 0.000 8.390 1.435) 8.512 4.823 ( 0.000 19.486 0.650) 19.497 4.866 ( 0.000 18.145 -1.019) 18.174 5.845 ( 0.000 16.762 1.897) 16.869 5.946 ( 0.000 13.511 -1.907) 13.645 6.078 ( 0.000 32.732 0.133) 32.732 6.082 ( 0.000 33.831 0.023) 33.831 6.469 ( 0.000 0.343 3.753) 3.769 6.716 ( 0.000 3.917 -6.872) 7.909 6.941 ( 0.000 4.927 1.080) 5.044 6.952 ( 0.000 5.784 2.123) 6.162 7.704 ( 0.000 -6.580 5.055) 8.297 7.878 ( 0.000 -13.182 -2.090) 13.346 8.013 ( 0.000 -15.002 -1.096) 15.042 8.028 ( 0.000 0.176 -1.523) 1.533 8.874 ( 0.000 2.176 1.373) 2.573 9.070 ( 0.000 1.252 -5.618) 5.756 9.074 ( 0.000 8.796 8.815) 12.453 9.419 ( 0.000 4.676 -5.317) 7.081 10.421 ( 0.000 -6.134 4.092) 7.374 10.617 ( 0.000 -5.105 -3.525) 6.203 10.779 ( 0.000 4.219 7.995) 9.040 10.932 ( 0.000 -12.103 5.711) 13.383 11.293 ( 0.000 -12.440 -6.496) 14.033 11.331 ( 0.000 0.744 -13.072) 13.093 11.678 ( 0.000 -4.287 3.286) 5.401 11.705 ( 0.000 -7.635 1.065) 7.709 12.922 ( 0.000 12.944 -1.679) 13.053 12.958 ( 0.000 11.484 -2.402) 11.732 13.427 ( 0.000 16.367 4.821) 17.062 13.492 ( 0.000 14.130 5.885) 15.307 14.004 ( 0.000 6.252 1.760) 6.495 14.333 ( 0.000 6.044 -9.646) 11.383 14.638 ( 0.000 2.842 0.819) 2.957 14.650 ( 0.000 3.460 1.702) 3.856 14.771 ( 0.000 2.709 3.078) 4.101 14.917 ( 0.000 -1.869 -2.411) 3.051 15.116 ( 0.000 -0.040 1.528) 1.529 15.191 ( 0.000 0.434 -1.432) 1.497 16.302 ( 0.000 -5.729 1.012) 5.818 16.368 ( 0.000 -3.923 -1.990) 4.399 16.477 ( 0.000 -2.212 2.321) 3.206 16.557 ( 0.000 -2.062 -1.212) 2.392 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 1.129 -0.157 0.375) 1.200 0.871 ( 2.351 -0.165 -1.121) 2.610 0.954 ( -1.310 1.515 4.378) 4.814 1.153 ( -0.522 1.511 -2.727) 3.161 1.168 ( 4.337 7.638 1.858) 8.978 1.260 ( 1.301 4.241 2.929) 5.316 1.325 ( 3.729 4.264 -3.444) 6.629 1.371 ( -1.112 1.968 0.844) 2.413 1.472 ( -0.686 3.571 -1.496) 3.932 1.537 ( -2.629 -0.005 -2.923) 3.932 1.762 ( -7.548 1.466 1.727) 7.881 1.816 ( -8.457 2.180 -0.717) 8.763 1.975 ( 0.068 7.694 -0.411) 7.705 1.999 ( -0.086 8.490 -1.022) 8.552 2.057 ( -0.921 9.409 0.095) 9.455 2.074 ( -0.073 10.372 -0.907) 10.412 2.126 ( 2.023 11.196 1.043) 11.425 2.150 ( 1.032 10.368 3.162) 10.888 2.182 ( -0.086 6.350 -0.751) 6.395 2.233 ( 0.180 14.068 -0.973) 14.103 2.359 ( 2.160 1.627 0.125) 2.708 2.423 ( 2.516 -1.316 -1.477) 3.200 2.532 ( -2.527 2.008 2.828) 4.291 2.631 ( -3.342 -2.360 -1.624) 4.402 3.069 ( 1.119 12.418 1.993) 12.626 3.134 ( -0.599 13.638 -0.336) 13.656 3.856 ( 2.430 11.870 -0.507) 12.126 3.874 ( 2.293 10.802 -1.346) 11.124 3.933 ( 0.369 6.095 1.250) 6.233 3.944 ( 0.774 6.403 0.878) 6.509 4.827 ( 0.388 19.499 0.369) 19.506 4.862 ( -0.413 18.473 -0.981) 18.504 5.863 ( 1.672 16.475 1.636) 16.640 5.944 ( -0.237 13.902 -1.386) 13.973 6.079 ( 0.145 32.913 0.124) 32.913 6.084 ( 0.155 33.752 0.066) 33.752 6.501 ( 3.069 0.253 3.363) 4.560 6.708 ( -1.150 3.328 -5.055) 6.160 6.928 ( -0.674 5.017 1.096) 5.179 6.953 ( -0.218 5.990 0.798) 6.046 7.725 ( 2.184 -8.530 4.733) 9.997 7.897 ( 1.784 -11.890 -2.262) 12.234 7.975 ( -3.333 -11.665 -0.187) 12.133 8.023 ( -0.948 -3.680 -1.999) 4.294 8.908 ( 3.095 1.720 1.649) 3.906 9.058 ( -0.796 2.669 0.201) 2.792 9.108 ( 3.055 7.707 2.612) 8.693 9.391 ( -2.923 5.378 -4.713) 7.725 10.447 ( 2.534 -6.561 3.191) 7.724 10.610 ( -0.822 -5.978 -2.954) 6.718 10.824 ( 4.504 5.066 6.602) 9.463 10.947 ( 1.602 -11.983 4.743) 12.986 11.231 ( -5.566 -9.055 -5.960) 12.186 11.298 ( -4.229 3.468 -9.913) 11.322 11.622 ( -3.077 -8.697 3.836) 9.991 11.703 ( -1.553 -7.186 -0.440) 7.365 12.927 ( 0.629 12.862 -0.844) 12.905 12.969 ( 0.672 11.517 -1.539) 11.639 13.396 ( -0.820 16.050 2.109) 16.209 13.525 ( 0.885 13.828 1.870) 13.982 14.024 ( 2.329 6.398 3.825) 7.809 14.298 ( -3.526 6.180 -3.749) 8.043 14.612 ( -0.034 3.348 0.172) 3.353 14.679 ( 0.485 3.169 -1.275) 3.450 14.803 ( 2.912 1.115 2.934) 4.281 14.916 ( -0.192 -1.566 -1.653) 2.285 15.118 ( 0.333 -0.197 0.896) 0.976 15.183 ( -0.842 0.244 -1.471) 1.712 16.311 ( 0.871 -5.477 0.932) 5.623 16.368 ( -0.170 -3.963 -1.513) 4.246 16.484 ( 0.804 -2.246 1.761) 2.965 16.552 ( -0.534 -2.076 -1.086) 2.403 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 1.587 -0.684 0.892) 1.945 0.897 ( -0.603 -0.646 0.669) 1.109 0.975 ( 4.059 -0.255 1.539) 4.348 1.072 ( -5.059 -0.697 -0.981) 5.201 1.287 ( 2.889 3.295 1.426) 4.608 1.311 ( 1.938 0.619 1.123) 2.324 1.365 ( 4.440 6.617 0.633) 7.994 1.410 ( 2.580 3.662 -3.089) 5.441 1.472 ( 1.056 2.255 -1.407) 2.860 1.498 ( 1.272 5.265 -1.528) 5.628 1.584 ( -9.599 2.706 1.301) 10.058 1.631 ( -9.462 4.472 -0.607) 10.483 1.987 ( 0.924 8.232 -1.004) 8.344 1.999 ( -0.114 8.117 -1.380) 8.234 2.041 ( -0.320 9.167 -0.159) 9.174 2.054 ( -1.429 8.927 -1.092) 9.107 2.152 ( 0.656 10.579 1.570) 10.715 2.156 ( 0.078 10.074 2.027) 10.277 2.206 ( 1.632 10.537 -0.201) 10.665 2.230 ( -0.646 12.806 -0.869) 12.852 2.411 ( 2.945 2.122 1.222) 3.830 2.471 ( -2.734 0.841 1.945) 3.459 2.483 ( 2.928 0.297 -0.961) 3.096 2.556 ( -3.957 -0.992 -1.293) 4.279 3.094 ( 1.298 12.880 1.029) 12.986 3.118 ( -1.078 13.335 0.232) 13.381 3.904 ( 2.019 10.512 0.131) 10.704 3.917 ( 1.287 11.757 -0.082) 11.827 3.939 ( 0.363 3.921 0.379) 3.956 3.951 ( -0.233 5.422 0.193) 5.430 4.837 ( 0.645 19.428 -0.241) 19.440 4.851 ( -0.670 19.071 -0.757) 19.098 5.901 ( 1.949 15.755 0.867) 15.899 5.932 ( -1.089 14.811 -0.249) 14.853 6.083 ( 0.216 33.204 0.131) 33.205 6.086 ( -0.021 33.558 0.110) 33.558 6.578 ( 4.459 0.572 2.092) 4.958 6.661 ( -3.585 1.792 -0.805) 4.088 6.928 ( 0.576 5.648 -0.379) 5.690 6.943 ( -0.775 6.072 -0.362) 6.131 7.791 ( 4.429 -11.899 3.407) 13.146 7.887 ( -4.840 -14.123 1.234) 14.980 7.945 ( 2.347 -6.658 -2.223) 7.401 7.992 ( -2.161 -4.923 -2.332) 5.860 8.976 ( 3.391 1.176 2.184) 4.202 9.031 ( -2.098 1.698 1.603) 3.139 9.195 ( 5.576 8.342 -0.215) 10.037 9.307 ( -5.366 7.040 -2.945) 9.329 10.513 ( 3.805 -7.446 0.925) 8.413 10.578 ( -2.538 -7.397 -1.422) 7.948 10.947 ( 7.364 4.065 2.348) 8.733 11.000 ( 3.662 -11.674 2.079) 12.410 11.107 ( -5.870 -1.893 -2.415) 6.624 11.162 ( -8.523 6.735 -2.124) 11.069 11.603 ( 1.240 -11.196 0.683) 11.285 11.652 ( -3.116 -9.339 -1.054) 9.902 12.947 ( 1.263 12.614 0.329) 12.681 12.969 ( -0.760 12.043 0.274) 12.070 13.422 ( 3.273 14.983 -3.055) 15.638 13.497 ( -3.414 13.881 -3.636) 14.750 14.099 ( 5.050 6.449 6.606) 10.523 14.206 ( -5.451 6.367 4.273) 9.408 14.635 ( 1.834 2.912 -2.189) 4.078 14.668 ( -1.329 2.900 -2.385) 3.983 14.863 ( 2.781 -0.433 1.638) 3.257 14.903 ( -1.291 -1.050 0.092) 1.667 15.133 ( 1.151 -0.319 -0.470) 1.284 15.160 ( -1.439 -0.119 -1.324) 1.959 16.333 ( 1.293 -4.877 0.563) 5.076 16.357 ( -0.994 -4.270 -0.321) 4.396 16.508 ( 1.470 -2.229 0.408) 2.701 16.535 ( -1.180 -2.137 -0.613) 2.517 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.000 -0.012 0.530) 0.530 0.841 ( 0.000 -0.161 -0.252) 0.299 0.999 ( 0.000 0.657 3.616) 3.675 1.183 ( 0.000 0.636 -2.027) 2.125 1.280 ( 0.000 2.131 -0.422) 2.173 1.292 ( 0.000 1.889 -2.061) 2.795 1.345 ( 0.000 2.090 1.999) 2.891 1.396 ( 0.000 0.589 0.192) 0.619 1.495 ( 0.000 -1.865 -0.317) 1.891 1.527 ( 0.000 -2.170 -1.509) 2.644 1.829 ( 0.000 -1.593 1.503) 2.190 1.896 ( 0.000 -2.050 -1.274) 2.413 2.095 ( 0.000 5.210 0.312) 5.219 2.168 ( 0.000 7.140 -2.082) 7.437 2.192 ( 0.000 1.296 2.589) 2.895 2.239 ( 0.000 3.699 1.291) 3.918 2.251 ( 0.000 8.294 -1.070) 8.363 2.311 ( 0.000 3.680 2.706) 4.567 2.330 ( 0.000 -2.577 -0.530) 2.631 2.358 ( 0.000 11.369 0.247) 11.372 2.429 ( 0.000 1.628 -1.478) 2.199 2.447 ( 0.000 8.630 -2.228) 8.913 2.648 ( 0.000 7.328 0.784) 7.370 2.659 ( 0.000 5.661 0.089) 5.662 3.335 ( 0.000 13.915 2.163) 14.082 3.425 ( 0.000 13.341 -1.371) 13.411 3.975 ( 0.000 3.585 -0.019) 3.585 3.986 ( 0.000 3.785 -0.391) 3.805 4.193 ( 0.000 17.150 0.874) 17.172 4.223 ( 0.000 17.186 -0.324) 17.189 5.031 ( 0.000 3.322 0.149) 3.325 5.032 ( 0.000 1.691 0.100) 1.694 6.289 ( 0.000 21.354 -0.028) 21.354 6.313 ( 0.000 15.081 -1.419) 15.147 6.440 ( 0.000 11.826 4.949) 12.820 6.621 ( 0.000 17.019 -2.532) 17.206 6.778 ( 0.000 24.245 1.043) 24.268 6.889 ( 0.000 14.319 -4.640) 15.052 7.110 ( 0.000 8.012 4.788) 9.334 7.165 ( 0.000 15.922 0.835) 15.944 7.557 ( 0.000 -9.326 -0.277) 9.330 7.643 ( 0.000 -7.980 -4.040) 8.944 7.759 ( 0.000 -7.355 7.343) 10.393 8.051 ( 0.000 2.221 -3.958) 4.539 8.919 ( 0.000 2.538 1.195) 2.805 9.107 ( 0.000 2.273 -6.450) 6.839 9.235 ( 0.000 6.661 5.833) 8.854 9.467 ( 0.000 0.104 -2.885) 2.887 10.335 ( 0.000 -2.972 3.833) 4.850 10.532 ( 0.000 -4.178 -3.788) 5.640 10.675 ( 0.000 -12.269 4.303) 13.002 10.790 ( 0.000 -5.202 2.687) 5.855 11.091 ( 0.000 -5.115 -2.079) 5.522 11.230 ( 0.000 -6.987 -3.765) 7.936 11.597 ( 0.000 -2.768 1.653) 3.223 11.695 ( 0.000 3.128 -3.337) 4.574 13.197 ( 0.000 11.449 -1.343) 11.528 13.209 ( 0.000 14.298 -2.610) 14.535 13.725 ( 0.000 12.262 3.410) 12.728 13.745 ( 0.000 9.723 6.163) 11.512 14.140 ( 0.000 7.449 1.800) 7.663 14.459 ( 0.000 6.077 -9.006) 10.864 14.667 ( 0.000 0.565 0.804) 0.983 14.681 ( 0.000 0.410 1.419) 1.477 14.796 ( 0.000 -0.337 0.762) 0.833 14.866 ( 0.000 -3.030 -1.450) 3.359 15.086 ( 0.000 -2.984 2.203) 3.709 15.160 ( 0.000 -3.313 -0.942) 3.444 16.193 ( 0.000 -4.751 1.533) 4.993 16.294 ( 0.000 -3.460 -2.976) 4.563 16.424 ( 0.000 -3.216 2.665) 4.177 16.508 ( 0.000 -2.959 -1.205) 3.195 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.264 -0.728 0.775) 1.096 0.863 ( 1.726 -0.388 -0.826) 1.952 0.969 ( -2.348 0.295 3.687) 4.381 1.146 ( -4.354 -1.486 -2.883) 5.429 1.270 ( 1.340 2.030 0.768) 2.551 1.307 ( 0.444 0.675 0.746) 1.099 1.381 ( 2.503 0.457 -0.916) 2.704 1.412 ( 1.503 1.816 -0.401) 2.391 1.492 ( -0.091 -1.095 0.160) 1.110 1.535 ( 1.113 -0.033 -1.400) 1.789 1.767 ( -5.698 -0.609 1.522) 5.929 1.834 ( -5.676 -0.557 -1.263) 5.841 2.097 ( 0.259 5.316 -0.003) 5.322 2.153 ( -1.160 5.866 -1.728) 6.224 2.193 ( 0.033 3.240 1.976) 3.795 2.231 ( -1.188 6.610 -0.138) 6.717 2.266 ( 1.098 4.585 0.477) 4.739 2.279 ( -0.349 1.666 2.041) 2.657 2.381 ( 2.274 10.111 0.808) 10.395 2.385 ( 2.549 0.539 -1.307) 2.915 2.439 ( 1.154 2.761 -1.116) 3.194 2.475 ( 2.491 7.361 -1.465) 7.908 2.609 ( -3.083 7.437 1.452) 8.181 2.650 ( -1.509 6.399 -0.366) 6.585 3.346 ( 1.015 13.750 1.712) 13.894 3.418 ( -0.777 13.333 -1.073) 13.399 3.985 ( 0.883 3.194 0.063) 3.314 3.994 ( 0.722 3.311 -0.234) 3.397 4.202 ( 0.782 16.912 0.722) 16.945 4.225 ( 0.193 16.958 -0.223) 16.960 5.033 ( 0.192 3.095 0.029) 3.101 5.035 ( 0.225 1.984 -0.027) 1.997 6.304 ( 1.520 21.025 0.383) 21.083 6.337 ( 1.715 19.767 -1.037) 19.868 6.457 ( 1.906 9.256 4.136) 10.315 6.613 ( -0.916 15.729 -2.106) 15.896 6.784 ( 0.694 23.700 1.019) 23.732 6.883 ( -0.858 15.230 -3.703) 15.698 7.100 ( -0.355 8.901 3.796) 9.683 7.164 ( -0.322 14.898 0.405) 14.907 7.531 ( -1.484 -9.397 1.706) 9.665 7.635 ( -1.830 -12.354 -1.834) 12.623 7.793 ( 3.592 -3.252 3.227) 5.822 8.029 ( -2.216 1.896 -3.986) 4.940 8.946 ( 2.486 2.243 1.543) 3.687 9.100 ( -0.914 2.240 -4.035) 4.705 9.260 ( 2.531 6.083 3.588) 7.502 9.452 ( -1.623 0.658 -2.782) 3.288 10.349 ( 1.536 -3.487 3.041) 4.875 10.510 ( -2.074 -4.501 -3.086) 5.839 10.687 ( 1.381 -12.597 3.459) 13.136 10.807 ( 0.843 -8.474 0.549) 8.533 11.096 ( 1.453 -0.787 0.292) 1.678 11.263 ( 3.172 -5.553 -3.755) 7.416 11.539 ( -5.591 -1.486 2.099) 6.155 11.641 ( -5.160 1.337 -2.822) 6.032 13.197 ( 0.491 12.494 -1.002) 12.544 13.226 ( 1.051 13.490 -1.719) 13.639 13.681 ( -1.356 11.218 1.990) 11.474 13.784 ( 0.670 10.566 1.825) 10.743 14.158 ( 2.190 7.099 3.667) 8.285 14.426 ( -3.427 6.142 -4.560) 8.383 14.649 ( -0.063 0.792 0.514) 0.946 14.703 ( 0.451 0.098 -0.901) 1.012 14.809 ( 1.391 -0.725 1.272) 2.019 14.871 ( 0.307 -2.831 -0.834) 2.967 15.085 ( 0.007 -3.188 1.395) 3.480 15.149 ( -1.089 -3.430 -1.042) 3.747 16.208 ( 1.433 -4.437 1.380) 4.862 16.295 ( -0.133 -3.237 -2.334) 3.993 16.429 ( 0.646 -3.434 2.041) 4.047 16.502 ( -0.650 -3.068 -1.130) 3.334 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 1.290 -1.415 1.119) 2.218 0.877 ( -1.262 -1.011 0.230) 1.633 0.958 ( 2.594 -1.322 1.330) 3.201 1.043 ( -5.359 -1.984 -1.406) 5.884 1.303 ( 1.212 -0.719 0.727) 1.585 1.312 ( 0.061 -0.346 0.883) 0.950 1.420 ( 1.374 -1.694 -1.707) 2.770 1.435 ( 0.100 -0.629 -1.962) 2.062 1.520 ( 3.924 2.754 1.656) 5.072 1.587 ( 4.202 2.773 -1.258) 5.189 1.637 ( -6.670 1.871 1.573) 7.104 1.705 ( -6.825 1.919 -1.261) 7.201 2.108 ( 0.832 5.105 -0.743) 5.225 2.129 ( -1.244 5.010 -1.432) 5.357 2.195 ( 0.236 5.517 1.300) 5.673 2.206 ( -0.993 6.335 0.828) 6.466 2.283 ( 0.570 3.334 0.977) 3.521 2.285 ( 0.355 2.680 1.331) 3.013 2.419 ( 1.169 6.321 -1.767) 6.667 2.421 ( 0.971 1.789 -1.744) 2.681 2.474 ( 2.497 5.335 1.336) 6.040 2.522 ( -0.005 6.010 0.387) 6.023 2.554 ( -0.195 8.630 0.829) 8.672 2.603 ( -2.949 7.052 -0.646) 7.671 3.370 ( 1.389 13.498 0.723) 13.588 3.397 ( -1.274 13.361 -0.299) 13.425 4.002 ( 0.654 2.586 0.149) 2.671 4.006 ( 0.300 2.609 0.036) 2.627 4.218 ( 0.735 16.538 0.388) 16.559 4.227 ( -0.136 16.567 0.041) 16.567 5.037 ( 0.181 2.812 -0.176) 2.823 5.038 ( 0.062 2.378 -0.212) 2.389 6.339 ( 1.615 22.832 0.847) 22.905 6.356 ( 0.011 23.714 0.407) 23.717 6.515 ( 3.656 7.860 1.548) 8.806 6.580 ( -2.590 11.868 -0.749) 12.170 6.807 ( 1.719 21.683 0.728) 21.764 6.850 ( -2.337 18.105 -0.790) 18.272 7.113 ( 1.628 10.719 0.800) 10.871 7.147 ( -1.427 13.237 -0.224) 13.316 7.526 ( 1.262 -11.543 2.990) 11.990 7.576 ( -3.459 -13.450 1.631) 13.983 7.881 ( 4.775 -0.501 -1.676) 5.086 7.968 ( -3.927 0.969 -3.595) 5.411 9.006 ( 3.353 1.926 1.640) 4.200 9.066 ( -2.539 2.048 -0.153) 3.266 9.327 ( 4.027 4.427 -0.046) 5.985 9.403 ( -3.341 2.291 -2.093) 4.560 10.394 ( 2.937 -4.564 0.894) 5.501 10.457 ( -3.193 -4.996 -1.480) 6.110 10.730 ( 2.873 -13.134 1.351) 13.512 10.789 ( -2.598 -13.011 -0.803) 13.293 11.183 ( 7.271 5.646 2.359) 9.503 11.316 ( -1.779 3.735 -2.439) 4.803 11.426 ( -1.445 -4.943 2.078) 5.553 11.517 ( -6.780 -3.039 -1.836) 7.654 13.216 ( 1.181 13.033 -0.109) 13.087 13.234 ( -0.397 13.401 -0.223) 13.409 13.693 ( 2.451 10.779 -2.451) 11.323 13.755 ( -3.108 10.558 -2.998) 11.407 14.231 ( 4.927 6.591 5.502) 9.899 14.335 ( -5.359 6.301 2.425) 8.620 14.665 ( 1.373 0.561 -1.213) 1.916 14.693 ( -1.224 0.171 -1.702) 2.103 14.844 ( 1.806 -1.579 1.246) 2.703 14.869 ( -0.679 -2.336 0.468) 2.478 15.094 ( 1.003 -3.492 -0.233) 3.641 15.121 ( -1.582 -3.576 -1.046) 4.048 16.244 ( 2.029 -3.746 0.775) 4.330 16.280 ( -1.439 -3.196 -0.572) 3.551 16.452 ( 1.552 -3.573 0.393) 3.915 16.482 ( -1.365 -3.339 -0.731) 3.680 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.000 0.213 0.492) 0.536 0.842 ( 0.000 0.150 0.018) 0.151 1.016 ( 0.000 1.133 2.580) 2.818 1.154 ( 0.000 -2.520 -2.405) 3.484 1.300 ( 0.000 0.324 -0.316) 0.453 1.313 ( 0.000 0.366 -1.056) 1.118 1.358 ( 0.000 -0.458 1.358) 1.434 1.402 ( 0.000 -0.985 -0.560) 1.133 1.438 ( 0.000 -2.244 1.113) 2.505 1.484 ( 0.000 -1.943 -0.952) 2.164 1.794 ( 0.000 -1.560 0.874) 1.788 1.841 ( 0.000 -2.933 -1.029) 3.108 2.147 ( 0.000 -0.073 0.892) 0.895 2.225 ( 0.000 -2.222 -2.249) 3.162 2.243 ( 0.000 2.582 1.826) 3.162 2.281 ( 0.000 2.534 1.712) 3.058 2.332 ( 0.000 3.862 -0.288) 3.873 2.343 ( 0.000 -1.920 -2.309) 3.003 2.407 ( 0.000 5.573 0.899) 5.645 2.433 ( 0.000 4.119 0.382) 4.137 2.564 ( 0.000 7.859 0.474) 7.873 2.606 ( 0.000 6.179 -1.143) 6.284 2.814 ( 0.000 7.517 -0.032) 7.517 2.821 ( 0.000 7.504 -0.450) 7.517 3.605 ( 0.000 12.092 1.615) 12.199 3.674 ( 0.000 10.749 -1.095) 10.805 4.018 ( 0.000 0.322 0.097) 0.336 4.022 ( 0.000 -0.354 -0.078) 0.362 4.539 ( 0.000 15.752 0.677) 15.766 4.568 ( 0.000 15.657 -0.460) 15.664 5.025 ( 0.000 -1.631 0.477) 1.699 5.043 ( 0.000 -1.200 -0.226) 1.221 6.428 ( 0.000 2.775 1.796) 3.306 6.557 ( 0.000 4.625 -3.811) 5.993 6.857 ( 0.000 21.144 1.872) 21.227 6.890 ( 0.000 9.770 1.350) 9.863 7.150 ( 0.000 5.579 0.750) 5.629 7.172 ( 0.000 11.786 -0.327) 11.790 7.241 ( 0.000 8.246 0.788) 8.283 7.318 ( 0.000 -10.120 -2.649) 10.461 7.534 ( 0.000 17.537 0.272) 17.539 7.625 ( 0.000 5.587 -2.736) 6.221 7.731 ( 0.000 3.085 10.799) 11.231 8.108 ( 0.000 2.322 -4.926) 5.446 8.993 ( 0.000 4.790 1.036) 4.901 9.162 ( 0.000 3.003 -6.762) 7.399 9.348 ( 0.000 4.331 2.537) 5.019 9.436 ( 0.000 -2.647 0.205) 2.655 10.275 ( 0.000 -3.248 1.948) 3.787 10.382 ( 0.000 -10.045 -2.473) 10.345 10.492 ( 0.000 -5.345 2.060) 5.729 10.591 ( 0.000 -11.131 -1.537) 11.236 11.079 ( 0.000 1.778 2.102) 2.753 11.131 ( 0.000 -2.269 0.646) 2.359 11.592 ( 0.000 2.002 1.360) 2.420 11.742 ( 0.000 0.956 -4.761) 4.856 13.416 ( 0.000 9.762 -0.443) 9.772 13.481 ( 0.000 11.632 -4.328) 12.411 13.876 ( 0.000 3.186 7.508) 8.156 13.915 ( 0.000 5.959 2.703) 6.544 14.313 ( 0.000 9.081 0.806) 9.117 14.567 ( 0.000 3.952 -7.583) 8.551 14.672 ( 0.000 -0.027 0.685) 0.686 14.680 ( 0.000 -0.584 0.003) 0.584 14.779 ( 0.000 -0.494 0.189) 0.529 14.806 ( 0.000 -2.425 -0.880) 2.579 15.001 ( 0.000 -4.932 2.765) 5.654 15.071 ( 0.000 -5.018 -0.606) 5.055 16.114 ( 0.000 -2.689 1.678) 3.169 16.222 ( 0.000 -3.745 -3.114) 4.870 16.351 ( 0.000 -3.330 2.686) 4.278 16.433 ( 0.000 -4.153 -1.154) 4.310 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -0.568 -0.099 0.842) 1.021 0.855 ( 0.954 -0.423 -0.639) 1.224 0.977 ( -3.555 0.626 2.608) 4.453 1.103 ( -4.923 -2.601 -2.173) 5.977 1.284 ( -0.544 0.114 0.216) 0.596 1.306 ( -0.185 -0.312 -0.213) 0.421 1.360 ( 0.098 -1.872 0.329) 1.904 1.401 ( -0.308 -2.679 -1.092) 2.909 1.480 ( 3.620 0.367 1.232) 3.841 1.529 ( 3.679 -0.719 -0.920) 3.859 1.747 ( -4.248 -1.092 0.983) 4.495 1.798 ( -3.979 -2.457 -1.100) 4.804 2.165 ( 1.528 0.712 0.738) 1.840 2.228 ( -0.328 1.616 -0.524) 1.730 2.245 ( 0.626 0.157 0.159) 0.664 2.275 ( -0.347 2.171 0.982) 2.408 2.346 ( 1.087 3.961 -0.005) 4.107 2.356 ( 0.974 -0.067 -1.784) 2.034 2.407 ( 0.043 3.688 0.696) 3.753 2.427 ( -0.486 3.024 0.402) 3.089 2.592 ( 2.609 7.867 0.534) 8.306 2.632 ( 2.404 6.311 -1.011) 6.829 2.787 ( -2.385 7.909 0.246) 8.264 2.807 ( -1.644 7.121 -0.608) 7.333 3.612 ( 0.719 11.937 1.283) 12.027 3.668 ( -0.632 10.874 -0.876) 10.928 4.021 ( 0.318 0.063 0.085) 0.336 4.025 ( 0.247 -0.479 -0.047) 0.541 4.544 ( 0.446 15.626 0.594) 15.644 4.568 ( -0.104 15.564 -0.323) 15.568 5.029 ( 0.360 -1.646 0.355) 1.722 5.043 ( -0.003 -1.276 -0.196) 1.291 6.474 ( 4.518 3.165 1.838) 5.814 6.604 ( 4.352 5.311 -3.893) 7.893 6.841 ( -2.162 16.771 2.096) 17.039 6.869 ( -1.604 13.496 1.083) 13.634 7.154 ( 0.469 4.626 0.962) 4.748 7.178 ( 0.590 11.131 -0.319) 11.151 7.228 ( -1.210 8.815 0.678) 8.923 7.299 ( -1.988 -9.299 -2.052) 9.728 7.525 ( -0.718 16.011 1.021) 16.059 7.587 ( -2.582 8.374 1.954) 8.978 7.794 ( 5.017 2.166 4.110) 6.837 8.081 ( -2.687 2.171 -4.813) 5.925 9.014 ( 2.062 4.600 1.318) 5.211 9.158 ( -0.687 3.456 -4.742) 5.908 9.354 ( 0.712 2.965 1.389) 3.351 9.429 ( -0.735 -2.426 -0.236) 2.546 10.283 ( 0.858 -3.306 1.592) 3.768 10.383 ( -0.211 -8.558 -2.713) 8.980 10.476 ( -1.067 -6.780 2.233) 7.218 10.574 ( -1.757 -11.582 -1.680) 11.834 11.130 ( 4.999 2.348 2.118) 5.915 11.181 ( 5.059 -1.751 0.698) 5.399 11.543 ( -4.823 1.976 1.559) 5.441 11.679 ( -6.205 1.113 -3.879) 7.402 13.430 ( 1.429 10.281 -0.339) 10.386 13.495 ( 1.059 11.958 -3.543) 12.517 13.840 ( -1.584 4.180 3.450) 5.647 13.937 ( 0.204 4.131 1.629) 4.446 14.321 ( 1.286 8.633 2.378) 9.047 14.541 ( -2.908 4.834 -3.812) 6.809 14.654 ( -0.096 -0.462 0.650) 0.803 14.697 ( 0.171 -0.744 -0.866) 1.154 14.790 ( 1.069 -0.410 0.163) 1.156 14.813 ( 0.591 -2.339 -0.617) 2.490 14.995 ( -0.359 -5.203 1.832) 5.527 15.056 ( -1.351 -5.214 -0.751) 5.438 16.136 ( 2.041 -2.382 1.504) 3.479 16.233 ( 0.808 -2.899 -2.891) 4.174 16.347 ( -0.170 -4.040 2.499) 4.753 16.424 ( -0.973 -4.358 -1.108) 4.600 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 1.189 -0.443 1.048) 1.645 0.864 ( -1.530 -0.217 -0.339) 1.582 0.925 ( 0.649 -1.816 1.269) 2.308 0.994 ( -5.271 -2.704 -1.235) 6.052 1.288 ( 0.675 -0.432 0.427) 0.908 1.301 ( -0.463 -0.441 0.205) 0.671 1.370 ( 0.931 -2.738 -0.428) 2.924 1.390 ( -0.873 -2.898 -0.966) 3.177 1.558 ( 4.300 1.027 1.048) 4.543 1.609 ( 4.123 -0.282 -1.040) 4.261 1.653 ( -4.607 0.031 1.096) 4.736 1.706 ( -5.010 -1.294 -1.066) 5.283 2.194 ( 1.300 2.264 0.393) 2.640 2.215 ( -0.854 2.887 0.227) 3.020 2.260 ( 0.681 1.073 -0.106) 1.275 2.270 ( -0.313 1.491 0.308) 1.554 2.365 ( 0.678 4.718 -0.203) 4.771 2.369 ( 0.248 3.216 -0.990) 3.374 2.411 ( 0.344 0.317 0.394) 0.612 2.418 ( -0.388 0.497 0.407) 0.751 2.655 ( 3.511 8.042 0.492) 8.789 2.688 ( 2.772 6.947 -0.901) 7.534 2.731 ( -2.794 7.691 0.599) 8.205 2.760 ( -3.013 6.733 -0.640) 7.404 3.630 ( 1.053 11.583 0.517) 11.643 3.651 ( -1.009 11.191 -0.289) 11.240 4.028 ( 0.245 -0.409 0.057) 0.480 4.029 ( 0.101 -0.615 0.011) 0.623 4.554 ( 0.547 15.428 0.353) 15.442 4.563 ( -0.337 15.413 0.004) 15.417 5.037 ( 0.358 -1.607 0.106) 1.650 5.042 ( -0.146 -1.453 -0.094) 1.463 6.588 ( 6.467 3.944 1.472) 7.717 6.677 ( 0.136 4.799 -2.390) 5.363 6.788 ( -0.627 14.156 1.802) 14.284 6.832 ( -2.585 17.021 -0.130) 17.216 7.172 ( 1.400 4.198 1.020) 4.542 7.197 ( 1.475 7.398 -0.249) 7.548 7.201 ( -1.408 7.948 0.589) 8.093 7.245 ( -3.127 -5.053 -0.672) 5.980 7.519 ( 0.411 13.700 2.466) 13.926 7.542 ( -1.825 11.804 3.082) 12.335 7.902 ( 5.690 1.639 -1.218) 6.046 8.007 ( -4.758 1.813 -3.933) 6.434 9.067 ( 3.175 4.317 1.321) 5.519 9.127 ( -2.533 4.095 -0.687) 4.864 9.377 ( 1.573 0.291 -0.734) 1.760 9.408 ( -1.378 -1.527 -1.051) 2.310 10.311 ( 2.024 -3.612 0.530) 4.174 10.357 ( -2.306 -4.784 -1.261) 5.458 10.480 ( 1.620 -10.541 0.624) 10.683 10.527 ( -2.761 -11.680 -1.062) 12.049 11.260 ( 7.749 2.156 1.993) 8.286 11.323 ( 9.161 0.037 0.019) 9.161 11.416 ( -7.678 1.945 1.883) 8.141 11.516 ( -9.772 1.161 -1.865) 10.016 13.468 ( 2.180 11.435 -0.201) 11.643 13.501 ( -0.820 12.326 -1.216) 12.413 13.844 ( 2.131 3.591 -1.735) 4.522 13.904 ( -3.155 3.522 -2.541) 5.368 14.374 ( 3.940 7.330 4.451) 9.438 14.462 ( -4.676 5.982 2.224) 7.912 14.666 ( 1.025 -0.630 -0.299) 1.240 14.687 ( -0.984 -0.812 -0.671) 1.441 14.812 ( 0.952 -0.915 0.130) 1.327 14.821 ( 0.051 -1.781 -0.065) 1.783 14.998 ( 0.810 -5.562 -0.043) 5.621 15.024 ( -1.712 -5.524 -0.867) 5.848 16.185 ( 2.726 -1.749 0.834) 3.345 16.230 ( -1.448 -1.503 -0.894) 2.270 16.359 ( 1.562 -5.199 0.671) 5.470 16.396 ( -1.828 -4.870 -0.745) 5.255 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 0.314 0.335) 0.459 0.844 ( 0.000 -0.002 0.148) 0.148 1.048 ( 0.000 2.011 0.982) 2.238 1.098 ( 0.000 -2.762 -0.880) 2.899 1.311 ( 0.000 1.043 -0.061) 1.044 1.321 ( 0.000 0.604 -0.462) 0.760 1.339 ( 0.000 -1.103 0.500) 1.211 1.349 ( 0.000 -2.683 0.126) 2.686 1.432 ( 0.000 0.566 0.274) 0.629 1.451 ( 0.000 -1.276 -0.450) 1.353 1.775 ( 0.000 -0.160 0.213) 0.266 1.791 ( 0.000 -1.734 -0.433) 1.787 2.148 ( 0.000 0.556 0.261) 0.614 2.174 ( 0.000 -2.066 -0.798) 2.215 2.253 ( 0.000 0.490 0.519) 0.714 2.283 ( 0.000 -2.471 -0.647) 2.554 2.366 ( 0.000 3.352 0.627) 3.410 2.391 ( 0.000 0.998 -0.336) 1.053 2.498 ( 0.000 2.673 0.367) 2.698 2.507 ( 0.000 1.850 0.066) 1.852 2.677 ( 0.000 3.060 -0.010) 3.060 2.689 ( 0.000 1.819 -0.485) 1.882 2.925 ( 0.000 2.960 -0.377) 2.983 2.928 ( 0.000 2.650 -0.540) 2.705 3.822 ( 0.000 8.862 0.840) 8.902 3.861 ( 0.000 7.341 -0.750) 7.379 3.969 ( 0.000 -4.716 0.448) 4.737 3.983 ( 0.000 -3.726 -0.122) 3.728 4.812 ( 0.000 10.459 0.649) 10.479 4.839 ( 0.000 10.295 -0.376) 10.302 4.965 ( 0.000 -4.689 0.592) 4.727 4.988 ( 0.000 -4.522 -0.309) 4.532 6.490 ( 0.000 3.569 1.135) 3.745 6.563 ( 0.000 -2.686 -1.780) 3.222 6.965 ( 0.000 1.510 1.125) 1.883 7.058 ( 0.000 -6.965 -3.120) 7.632 7.229 ( 0.000 10.790 1.113) 10.847 7.281 ( 0.000 6.518 -0.882) 6.578 7.345 ( 0.000 1.504 0.892) 1.749 7.350 ( 0.000 0.208 0.266) 0.338 7.748 ( 0.000 4.266 3.034) 5.235 7.763 ( 0.000 3.152 5.768) 6.573 7.904 ( 0.000 12.717 0.102) 12.718 8.093 ( 0.000 -4.786 -3.988) 6.230 9.109 ( 0.000 6.040 -0.535) 6.063 9.198 ( 0.000 -1.173 -5.074) 5.207 9.395 ( 0.000 -0.221 2.059) 2.070 9.402 ( 0.000 0.704 0.728) 1.012 10.201 ( 0.000 -3.027 -2.603) 3.992 10.214 ( 0.000 -4.974 -3.741) 6.224 10.412 ( 0.000 -2.213 2.779) 3.552 10.425 ( 0.000 -4.094 1.719) 4.440 11.113 ( 0.000 1.029 2.396) 2.608 11.118 ( 0.000 0.227 2.082) 2.095 11.659 ( 0.000 3.917 -0.673) 3.974 11.728 ( 0.000 -2.315 -3.276) 4.011 13.588 ( 0.000 6.575 -0.666) 6.608 13.643 ( 0.000 2.692 -3.978) 4.803 13.913 ( 0.000 2.027 6.151) 6.476 13.962 ( 0.000 -1.135 2.627) 2.862 14.494 ( 0.000 7.986 0.225) 7.990 14.603 ( 0.000 -1.333 -1.794) 2.235 14.655 ( 0.000 -1.029 -2.178) 2.409 14.663 ( 0.000 -0.834 -0.433) 0.939 14.781 ( 0.000 0.002 -0.662) 0.662 14.787 ( 0.000 0.338 -1.579) 1.615 14.923 ( 0.000 -1.127 2.807) 3.025 14.969 ( 0.000 -4.433 0.090) 4.434 16.093 ( 0.000 0.719 1.003) 1.234 16.141 ( 0.000 -3.669 -0.885) 3.775 16.315 ( 0.000 0.119 0.771) 0.780 16.353 ( 0.000 -3.286 -0.700) 3.360 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -0.710 0.647 0.488) 1.077 0.844 ( -0.000 -0.735 -0.128) 0.746 1.000 ( -4.533 1.733 0.941) 4.944 1.046 ( -4.896 -2.681 -0.824) 5.642 1.291 ( -1.072 0.705 0.133) 1.290 1.304 ( -0.611 0.029 -0.419) 0.742 1.325 ( -0.478 -0.990 0.621) 1.263 1.344 ( -0.218 -2.325 -0.216) 2.345 1.492 ( 4.310 0.713 0.274) 4.377 1.509 ( 4.271 -0.997 -0.411) 4.405 1.734 ( -3.599 0.063 0.267) 3.610 1.753 ( -3.472 -1.713 -0.456) 3.898 2.175 ( 2.320 0.746 0.234) 2.449 2.201 ( 2.283 -1.816 -0.809) 3.027 2.254 ( 0.008 0.733 0.466) 0.869 2.282 ( -0.134 -1.871 -0.624) 1.977 2.380 ( 1.354 2.774 0.553) 3.136 2.402 ( 1.040 0.953 -0.261) 1.435 2.483 ( -1.358 2.532 0.347) 2.894 2.492 ( -1.302 1.693 0.023) 2.136 2.705 ( 2.680 3.082 0.039) 4.084 2.717 ( 2.630 1.890 -0.417) 3.266 2.903 ( -2.174 3.100 -0.258) 3.796 2.909 ( -1.982 2.476 -0.518) 3.213 3.826 ( 0.450 8.762 0.672) 8.799 3.858 ( -0.313 7.582 -0.597) 7.612 3.970 ( 0.161 -4.765 0.335) 4.779 3.982 ( -0.097 -3.935 -0.121) 3.938 4.816 ( 0.312 10.432 0.574) 10.452 4.837 ( -0.174 10.301 -0.259) 10.306 4.968 ( 0.312 -4.724 0.509) 4.762 4.987 ( -0.122 -4.571 -0.219) 4.578 6.542 ( 5.055 3.844 1.170) 6.458 6.619 ( 5.416 -2.617 -1.946) 6.322 6.931 ( -3.405 1.503 1.549) 4.031 7.026 ( -3.312 -6.818 -2.624) 8.022 7.233 ( 0.433 10.195 0.986) 10.252 7.275 ( -0.580 6.813 -0.521) 6.857 7.343 ( -0.105 1.443 0.592) 1.563 7.348 ( -0.174 0.391 0.202) 0.473 7.742 ( 0.461 6.856 4.052) 7.977 7.806 ( 3.134 1.891 2.249) 4.296 7.885 ( -1.651 11.132 0.901) 11.289 8.066 ( -2.738 -4.672 -3.624) 6.516 9.129 ( 1.966 6.108 -0.142) 6.418 9.213 ( 1.396 -0.143 -4.373) 4.593 9.365 ( -2.428 -0.169 1.975) 3.135 9.394 ( -1.270 -1.185 0.355) 1.773 10.215 ( 1.406 -2.580 -2.113) 3.620 10.230 ( 1.598 -4.649 -3.268) 5.903 10.387 ( -2.429 -2.226 2.188) 3.955 10.402 ( -2.212 -4.341 1.092) 4.993 11.166 ( 5.109 1.133 2.138) 5.653 11.175 ( 5.745 0.239 2.045) 6.102 11.606 ( -5.169 3.665 -0.144) 6.338 11.670 ( -5.735 -2.032 -2.475) 6.569 13.613 ( 2.466 7.105 -0.760) 7.560 13.672 ( 2.721 3.313 -4.148) 5.965 13.884 ( -2.584 2.108 4.309) 5.449 13.951 ( -1.586 -2.516 1.263) 3.232 14.495 ( 0.493 7.762 1.192) 7.868 14.609 ( 0.443 -1.199 -0.979) 1.610 14.628 ( -1.846 0.591 0.169) 1.946 14.670 ( -0.195 -1.840 -0.337) 1.881 14.790 ( 0.930 0.211 -0.824) 1.260 14.800 ( 1.219 0.422 -1.842) 2.249 14.906 ( -1.355 -1.765 2.104) 3.062 14.951 ( -1.724 -4.616 -0.209) 4.932 16.119 ( 2.523 0.891 0.904) 2.825 16.168 ( 2.454 -3.363 -1.010) 4.284 16.299 ( -1.529 -0.047 0.875) 1.762 16.339 ( -1.409 -3.486 -0.695) 3.824 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 1.495 1.027 0.560) 1.898 0.858 ( 1.597 -1.015 -0.581) 1.980 0.902 ( -4.269 0.450 0.940) 4.395 0.938 ( -5.194 -2.573 -0.569) 5.824 1.290 ( 0.652 0.682 0.251) 0.976 1.302 ( -0.141 0.501 -0.168) 0.546 1.321 ( 0.285 -1.738 0.299) 1.786 1.335 ( -0.749 -2.154 -0.220) 2.291 1.574 ( 4.057 0.731 0.275) 4.131 1.592 ( 4.107 -1.012 -0.433) 4.252 1.655 ( -4.155 0.418 0.311) 4.188 1.674 ( -4.195 -1.430 -0.444) 4.454 2.220 ( 2.020 1.041 0.227) 2.283 2.246 ( 1.471 -0.780 -0.615) 1.775 2.248 ( -0.262 0.483 0.183) 0.579 2.274 ( -0.845 -1.273 -0.665) 1.666 2.413 ( 1.886 2.206 0.440) 2.935 2.429 ( 1.603 1.031 -0.119) 1.910 2.451 ( -1.846 2.245 0.362) 2.928 2.462 ( -1.699 1.339 -0.032) 2.164 2.771 ( 3.778 3.147 0.045) 4.918 2.782 ( 3.701 2.094 -0.368) 4.268 2.845 ( -3.502 3.143 -0.051) 4.706 2.854 ( -3.414 2.234 -0.416) 4.101 3.837 ( 0.643 8.493 0.264) 8.521 3.850 ( -0.563 8.072 -0.210) 8.095 3.975 ( 0.235 -4.718 0.103) 4.725 3.979 ( -0.194 -4.385 -0.068) 4.390 4.824 ( 0.449 10.373 0.351) 10.389 4.832 ( -0.363 10.324 0.031) 10.331 4.976 ( 0.406 -4.746 0.289) 4.772 4.983 ( -0.291 -4.677 0.011) 4.686 6.668 ( 7.115 4.596 0.937) 8.522 6.741 ( 4.491 0.839 -2.467) 5.192 6.847 ( -2.994 -2.148 2.350) 4.371 6.928 ( -6.373 -6.658 -1.441) 9.329 7.246 ( 0.751 8.987 0.696) 9.045 7.261 ( -0.803 7.757 0.183) 7.801 7.342 ( 0.029 1.163 0.133) 1.171 7.345 ( -0.182 0.745 0.039) 0.768 7.770 ( 2.258 9.783 2.528) 10.354 7.821 ( -2.437 11.764 0.247) 12.016 7.902 ( 4.230 -2.468 0.884) 4.976 7.992 ( -4.513 -4.145 -2.199) 6.510 9.182 ( 3.154 6.382 0.429) 7.132 9.230 ( -0.764 5.057 -1.456) 5.318 9.326 ( -0.309 -4.268 0.412) 4.299 9.356 ( -2.301 -3.753 -0.559) 4.438 10.255 ( 2.510 -1.450 -0.864) 3.025 10.271 ( 2.111 -3.054 -1.804) 4.128 10.330 ( -2.610 -3.403 0.586) 4.328 10.347 ( -3.009 -5.058 -0.326) 5.895 11.301 ( 8.231 1.994 1.769) 8.652 11.328 ( 9.275 -0.350 1.016) 9.337 11.470 ( -8.278 2.911 0.980) 8.830 11.517 ( -9.276 -1.317 -0.659) 9.393 13.677 ( 3.708 8.622 -0.752) 9.416 13.722 ( 0.716 8.062 -2.587) 8.498 13.842 ( -0.118 -2.669 0.061) 2.672 13.895 ( -3.799 -4.065 -1.660) 5.806 14.522 ( 2.276 6.723 2.795) 7.628 14.576 ( -2.876 4.925 2.062) 6.064 14.628 ( 1.138 -3.336 1.014) 3.667 14.654 ( -1.296 -2.566 0.869) 3.003 14.813 ( 1.174 1.157 -0.819) 1.841 14.823 ( 0.540 1.723 -1.293) 2.221 14.887 ( -0.021 -4.284 0.020) 4.284 14.911 ( -2.004 -4.948 -0.840) 5.404 16.180 ( 3.312 1.314 0.563) 3.608 16.218 ( 1.380 -0.522 -1.168) 1.882 16.264 ( -0.950 -2.557 1.052) 2.924 16.299 ( -2.542 -4.071 -0.544) 4.830 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 0.000 0.000 -0.104) 0.104 0.436 ( 0.000 0.000 0.104) 0.104 0.631 ( 0.000 0.000 -13.222) 13.222 0.631 ( 0.000 0.000 13.222) 13.222 0.694 ( 0.000 0.000 -2.873) 2.873 0.694 ( 0.000 0.000 2.873) 2.873 0.956 ( 0.000 0.000 -2.555) 2.555 0.956 ( 0.000 0.000 2.555) 2.555 1.119 ( 0.000 0.000 -1.665) 1.665 1.119 ( 0.000 0.000 1.665) 1.665 1.125 ( 0.000 0.000 -11.668) 11.668 1.125 ( 0.000 0.000 11.668) 11.668 1.175 ( 0.000 0.000 -1.807) 1.807 1.175 ( 0.000 0.000 1.807) 1.807 1.249 ( 0.000 0.000 -9.109) 9.109 1.249 ( 0.000 0.000 9.109) 9.109 1.584 ( 0.000 0.000 -7.954) 7.954 1.584 ( 0.000 0.000 7.954) 7.954 1.775 ( 0.000 0.000 -0.717) 0.717 1.775 ( 0.000 0.000 0.717) 0.717 2.005 ( 0.000 0.000 -6.543) 6.543 2.005 ( 0.000 0.000 6.543) 6.543 2.355 ( 0.000 0.000 -1.297) 1.297 2.355 ( 0.000 0.000 1.297) 1.297 2.826 ( 0.000 0.000 -7.875) 7.875 2.826 ( 0.000 0.000 7.875) 7.875 3.139 ( 0.000 0.000 -7.131) 7.131 3.139 ( 0.000 0.000 7.131) 7.131 3.325 ( 0.000 0.000 -0.080) 0.080 3.325 ( 0.000 0.000 0.080) 0.080 3.489 ( 0.000 0.000 -4.778) 4.778 3.489 ( 0.000 0.000 4.778) 4.778 3.975 ( 0.000 0.000 -4.423) 4.423 3.975 ( 0.000 0.000 4.423) 4.423 5.844 ( 0.000 0.000 -3.067) 3.067 5.844 ( 0.000 0.000 3.067) 3.067 7.004 ( 0.000 0.000 -0.929) 0.929 7.004 ( 0.000 0.000 0.929) 0.929 7.157 ( 0.000 0.000 -5.940) 5.940 7.157 ( 0.000 0.000 5.940) 5.940 7.169 ( 0.000 0.000 -3.360) 3.360 7.169 ( 0.000 0.000 3.360) 3.360 7.229 ( 0.000 0.000 -2.397) 2.397 7.229 ( 0.000 0.000 2.397) 2.397 9.196 ( 0.000 0.000 -0.152) 0.152 9.196 ( 0.000 0.000 0.152) 0.152 9.386 ( 0.000 0.000 -1.080) 1.080 9.386 ( 0.000 0.000 1.080) 1.080 10.709 ( 0.000 0.000 -10.233) 10.233 10.709 ( 0.000 0.000 10.233) 10.233 11.234 ( 0.000 0.000 -0.070) 0.070 11.234 ( 0.000 0.000 0.070) 0.070 12.062 ( 0.000 0.000 -13.461) 13.461 12.062 ( 0.000 0.000 13.461) 13.461 12.323 ( 0.000 0.000 -2.823) 2.823 12.323 ( 0.000 0.000 2.823) 2.823 12.333 ( 0.000 0.000 -0.831) 0.831 12.333 ( 0.000 0.000 0.831) 0.831 13.051 ( 0.000 0.000 -0.797) 0.797 13.051 ( 0.000 0.000 0.797) 0.797 13.307 ( 0.000 0.000 -0.087) 0.087 13.307 ( 0.000 0.000 0.087) 0.087 14.312 ( 0.000 0.000 -8.267) 8.267 14.312 ( 0.000 0.000 8.267) 8.267 14.901 ( 0.000 0.000 -12.637) 12.637 14.901 ( 0.000 0.000 12.637) 12.637 15.204 ( 0.000 0.000 -2.460) 2.460 15.204 ( 0.000 0.000 2.460) 2.460 16.662 ( 0.000 0.000 -0.302) 0.302 16.662 ( 0.000 0.000 0.302) 0.302 16.788 ( 0.000 0.000 -1.640) 1.640 16.788 ( 0.000 0.000 1.640) 1.640 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 2.650 0.000 -8.497) 8.901 0.472 ( 2.650 0.000 8.497) 8.901 0.639 ( 0.766 0.000 -10.773) 10.800 0.639 ( 0.766 0.000 10.773) 10.800 0.794 ( 8.712 0.000 -3.333) 9.328 0.794 ( 8.712 0.000 3.333) 9.328 0.953 ( -0.285 0.000 -2.209) 2.227 0.953 ( -0.285 0.000 2.209) 2.227 1.114 ( 0.181 0.000 -6.949) 6.952 1.114 ( 0.181 0.000 6.949) 6.952 1.120 ( 0.120 0.000 -1.445) 1.450 1.120 ( 0.120 0.000 1.445) 1.450 1.171 ( -0.294 0.000 -1.548) 1.576 1.171 ( -0.294 0.000 1.548) 1.576 1.292 ( -0.205 0.000 -4.564) 4.569 1.292 ( -0.205 0.000 4.564) 4.569 1.421 ( -10.578 0.000 -5.992) 12.158 1.421 ( -10.578 0.000 5.992) 12.158 1.775 ( 0.008 0.000 -0.579) 0.579 1.775 ( 0.008 0.000 0.579) 0.579 1.945 ( -4.457 0.000 -5.914) 7.405 1.945 ( -4.457 0.000 5.914) 7.405 2.318 ( -5.608 0.000 -3.712) 6.725 2.318 ( -5.608 0.000 3.712) 6.725 2.810 ( -0.579 0.000 -3.471) 3.519 2.810 ( -0.579 0.000 3.471) 3.519 3.029 ( -6.656 0.000 -2.338) 7.055 3.029 ( -6.656 0.000 2.338) 7.055 3.325 ( -0.002 0.000 -0.065) 0.065 3.325 ( -0.002 0.000 0.065) 0.065 3.644 ( 10.708 0.000 -1.277) 10.784 3.644 ( 10.708 0.000 1.277) 10.784 4.003 ( 2.079 0.000 -4.246) 4.728 4.003 ( 2.079 0.000 4.246) 4.728 5.858 ( 1.162 0.000 -2.662) 2.905 5.858 ( 1.162 0.000 2.662) 2.905 7.043 ( 3.216 0.000 -2.701) 4.199 7.043 ( 3.216 0.000 2.701) 4.199 7.155 ( -0.070 0.000 -4.620) 4.621 7.155 ( -0.070 0.000 4.620) 4.621 7.169 ( -0.006 0.000 -2.712) 2.712 7.169 ( -0.006 0.000 2.712) 2.712 7.229 ( 0.007 0.000 -1.934) 1.934 7.229 ( 0.007 0.000 1.934) 1.934 9.280 ( 8.647 0.000 -2.508) 9.003 9.280 ( 8.647 0.000 2.508) 9.003 9.386 ( -0.004 0.000 -0.874) 0.874 9.386 ( -0.004 0.000 0.874) 0.874 10.463 ( -22.735 0.000 -1.127) 22.763 10.463 ( -22.735 0.000 1.127) 22.763 11.234 ( -0.000 0.000 -0.057) 0.057 11.234 ( -0.000 0.000 0.057) 0.057 11.878 ( -9.700 0.000 -10.662) 14.415 11.878 ( -9.700 0.000 10.662) 14.415 12.333 ( 0.021 0.000 -0.672) 0.673 12.333 ( 0.021 0.000 0.672) 0.673 12.384 ( 1.491 0.000 -8.466) 8.597 12.384 ( 1.491 0.000 8.466) 8.597 13.050 ( -0.019 0.000 -0.645) 0.645 13.050 ( -0.019 0.000 0.645) 0.645 13.409 ( 8.787 0.000 -4.793) 10.009 13.409 ( 8.787 0.000 4.793) 10.009 14.138 ( -11.415 0.000 -3.874) 12.055 14.138 ( -11.415 0.000 3.874) 12.055 15.127 ( 10.688 0.000 -3.622) 11.285 15.127 ( 10.688 0.000 3.622) 11.285 15.236 ( 6.305 0.000 -4.560) 7.781 15.236 ( 6.305 0.000 4.560) 7.781 16.665 ( 0.253 0.000 -0.292) 0.386 16.665 ( 0.253 0.000 0.292) 0.386 16.788 ( -0.103 0.000 -1.413) 1.417 16.788 ( -0.103 0.000 1.413) 1.417 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.979 0.000 -6.687) 6.758 0.510 ( 0.979 0.000 6.687) 6.758 0.654 ( 0.494 0.000 -4.181) 4.210 0.654 ( 0.494 0.000 4.181) 4.210 0.937 ( 3.808 0.000 -2.266) 4.431 0.937 ( 3.808 0.000 2.266) 4.431 0.948 ( -0.211 0.000 -0.947) 0.970 0.948 ( -0.211 0.000 0.947) 0.970 1.102 ( -8.565 0.000 -3.640) 9.306 1.102 ( -8.565 0.000 3.640) 9.306 1.123 ( 0.139 0.000 -0.663) 0.678 1.123 ( 0.139 0.000 0.663) 0.678 1.165 ( -0.236 0.000 -0.698) 0.737 1.165 ( -0.236 0.000 0.698) 0.737 1.181 ( 6.010 0.000 -2.135) 6.378 1.181 ( 6.010 0.000 2.135) 6.378 1.381 ( -1.912 0.000 -2.322) 3.007 1.381 ( -1.912 0.000 2.322) 3.007 1.775 ( 0.005 0.000 -0.220) 0.220 1.775 ( 0.005 0.000 0.220) 0.220 1.898 ( 0.657 0.000 -4.645) 4.692 1.898 ( 0.657 0.000 4.645) 4.692 2.158 ( -7.827 0.000 -3.131) 8.430 2.158 ( -7.827 0.000 3.131) 8.430 2.820 ( 1.048 0.000 -0.946) 1.412 2.820 ( 1.048 0.000 0.946) 1.412 2.934 ( -2.805 0.000 -1.120) 3.020 2.934 ( -2.805 0.000 1.120) 3.020 3.325 ( -0.002 0.000 -0.025) 0.025 3.325 ( -0.002 0.000 0.025) 0.025 3.810 ( 5.026 0.000 -1.593) 5.272 3.810 ( 5.026 0.000 1.593) 5.272 4.029 ( 0.390 0.000 -2.279) 2.312 4.029 ( 0.390 0.000 2.279) 2.312 5.878 ( 0.631 0.000 -1.078) 1.249 5.878 ( 0.631 0.000 1.078) 1.249 7.093 ( 1.335 0.000 -1.566) 2.058 7.093 ( 1.335 0.000 1.566) 2.058 7.158 ( 0.314 0.000 -1.321) 1.358 7.158 ( 0.314 0.000 1.321) 1.358 7.169 ( -0.003 0.000 -1.033) 1.033 7.169 ( -0.003 0.000 1.033) 1.033 7.229 ( 0.004 0.000 -0.735) 0.735 7.229 ( 0.004 0.000 0.735) 0.735 9.386 ( -0.002 0.000 -0.334) 0.334 9.386 ( -0.002 0.000 0.334) 0.334 9.535 ( 17.190 0.000 -6.171) 18.265 9.535 ( 17.190 0.000 6.171) 18.265 9.966 ( -24.667 0.000 -8.025) 25.939 9.966 ( -24.667 0.000 8.025) 25.939 11.234 ( -0.000 0.000 -0.022) 0.022 11.234 ( -0.000 0.000 0.022) 0.022 11.772 ( -2.061 0.000 -2.955) 3.603 11.772 ( -2.061 0.000 2.955) 3.603 12.334 ( 0.013 0.000 -0.257) 0.257 12.334 ( 0.013 0.000 0.257) 0.257 12.382 ( -0.640 0.000 -3.296) 3.357 12.382 ( -0.640 0.000 3.296) 3.357 13.050 ( -0.012 0.000 -0.247) 0.247 13.050 ( -0.012 0.000 0.247) 0.247 13.584 ( 7.120 0.000 -3.949) 8.142 13.584 ( 7.120 0.000 3.949) 8.142 13.949 ( -6.959 0.000 -4.417) 8.243 13.949 ( -6.959 0.000 4.417) 8.243 15.186 ( 0.450 0.000 -0.515) 0.684 15.186 ( 0.450 0.000 0.515) 0.684 15.412 ( 5.640 0.000 -2.969) 6.374 15.412 ( 5.640 0.000 2.969) 6.374 16.670 ( 0.193 0.000 -0.162) 0.252 16.670 ( 0.193 0.000 0.162) 0.252 16.785 ( -0.140 0.000 -0.557) 0.574 16.785 ( -0.140 0.000 0.557) 0.574 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.000 7.096 -1.234) 7.203 0.496 ( 0.000 7.096 1.234) 7.203 0.673 ( 0.000 0.616 -4.002) 4.049 0.673 ( 0.000 0.616 4.002) 4.049 0.903 ( 0.000 12.687 -5.520) 13.836 0.903 ( 0.000 12.687 5.520) 13.836 1.073 ( 0.000 9.639 -2.440) 9.943 1.073 ( 0.000 9.639 2.440) 9.943 1.121 ( 0.000 4.993 -5.397) 7.352 1.121 ( 0.000 4.993 5.397) 7.352 1.222 ( 0.000 6.973 -3.219) 7.681 1.222 ( 0.000 6.973 3.219) 7.681 1.288 ( 0.000 8.723 -3.423) 9.370 1.288 ( 0.000 8.723 3.423) 9.370 1.324 ( 0.000 9.462 -5.174) 10.784 1.324 ( 0.000 9.462 5.174) 10.784 1.548 ( 0.000 -1.422 -7.588) 7.720 1.548 ( 0.000 -1.422 7.588) 7.720 1.986 ( 0.000 5.073 -3.653) 6.251 1.986 ( 0.000 5.073 3.653) 6.251 2.187 ( 0.000 24.520 -0.424) 24.524 2.187 ( 0.000 24.520 0.424) 24.524 2.337 ( 0.000 1.722 -0.121) 1.726 2.337 ( 0.000 1.722 0.121) 1.726 2.730 ( 0.000 -4.566 -2.092) 5.022 2.730 ( 0.000 -4.566 2.092) 5.022 3.065 ( 0.000 -1.938 -5.120) 5.474 3.065 ( 0.000 -1.938 5.120) 5.474 3.462 ( 0.000 1.313 -4.501) 4.689 3.462 ( 0.000 1.313 4.501) 4.689 3.722 ( 0.000 28.666 -0.268) 28.667 3.722 ( 0.000 28.666 0.268) 28.667 3.962 ( 0.000 -0.932 -4.292) 4.392 3.962 ( 0.000 -0.932 4.292) 4.392 5.824 ( 0.000 -1.889 -3.123) 3.650 5.824 ( 0.000 -1.889 3.123) 3.650 6.893 ( 0.000 -7.637 -0.591) 7.660 6.893 ( 0.000 -7.637 0.591) 7.660 7.070 ( 0.000 -3.313 -4.627) 5.691 7.070 ( 0.000 -3.313 4.627) 5.691 7.443 ( 0.000 14.959 -2.023) 15.095 7.443 ( 0.000 14.959 2.023) 15.095 7.625 ( 0.000 32.272 -7.752) 33.190 7.625 ( 0.000 32.272 7.752) 33.190 9.062 ( 0.000 -10.163 -1.168) 10.229 9.062 ( 0.000 -10.163 1.168) 10.229 9.424 ( 0.000 -0.259 -3.179) 3.189 9.424 ( 0.000 -0.259 3.179) 3.189 10.652 ( 0.000 -3.151 -8.026) 8.622 10.652 ( 0.000 -3.151 8.026) 8.622 11.188 ( 0.000 -5.827 -2.395) 6.300 11.188 ( 0.000 -5.827 2.395) 6.300 11.881 ( 0.000 -14.133 -15.990) 21.341 11.881 ( 0.000 -14.133 15.990) 21.341 12.251 ( 0.000 2.344 -2.374) 3.336 12.251 ( 0.000 2.344 2.374) 3.336 12.388 ( 0.000 -7.774 -4.722) 9.096 12.388 ( 0.000 -7.774 4.722) 9.096 12.957 ( 0.000 4.947 -9.833) 11.007 12.957 ( 0.000 4.947 9.833) 11.007 13.676 ( 0.000 22.080 -3.186) 22.309 13.676 ( 0.000 22.080 3.186) 22.309 14.095 ( 0.000 -14.239 -2.258) 14.417 14.095 ( 0.000 -14.239 2.258) 14.417 14.875 ( 0.000 -1.560 -11.568) 11.672 14.875 ( 0.000 -1.560 11.568) 11.672 15.178 ( 0.000 -2.191 -1.560) 2.690 15.178 ( 0.000 -2.191 1.560) 2.690 16.630 ( 0.000 -3.019 -0.291) 3.033 16.630 ( 0.000 -3.019 0.291) 3.033 16.743 ( 0.000 -3.837 -1.834) 4.253 16.743 ( 0.000 -3.837 1.834) 4.253 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 3.102 7.253 -5.259) 9.481 0.529 ( 3.102 7.253 5.259) 9.481 0.757 ( 6.876 0.896 -4.156) 8.085 0.757 ( 6.876 0.896 4.156) 8.085 0.933 ( 2.713 13.800 -3.395) 14.468 0.933 ( 2.713 13.800 3.395) 14.468 1.048 ( -1.189 5.376 -1.083) 5.611 1.048 ( -1.189 5.376 1.083) 5.611 1.137 ( 0.556 8.220 -2.875) 8.726 1.137 ( 0.556 8.220 2.875) 8.726 1.226 ( 0.081 5.221 -1.201) 5.358 1.226 ( 0.081 5.221 1.201) 5.358 1.276 ( -0.328 10.631 -0.404) 10.644 1.276 ( -0.328 10.631 0.404) 10.644 1.338 ( -2.229 5.493 -3.146) 6.711 1.338 ( -2.229 5.493 3.146) 6.711 1.439 ( -5.935 3.744 -6.564) 9.609 1.439 ( -5.935 3.744 6.564) 9.609 1.930 ( -5.086 2.669 -3.301) 6.625 1.930 ( -5.086 2.669 3.301) 6.625 2.179 ( -0.721 25.997 -0.279) 26.009 2.179 ( -0.721 25.997 0.279) 26.009 2.280 ( -5.423 1.942 -1.748) 6.020 2.280 ( -5.423 1.942 1.748) 6.020 2.746 ( 1.698 -2.716 -0.129) 3.206 2.746 ( 1.698 -2.716 0.129) 3.206 2.983 ( -5.758 -1.613 -3.192) 6.779 2.983 ( -5.758 -1.613 3.192) 6.779 3.563 ( 6.365 6.274 -1.799) 9.116 3.563 ( 6.365 6.274 1.799) 9.116 3.747 ( 3.029 22.612 -0.900) 22.832 3.747 ( 3.029 22.612 0.900) 22.832 3.986 ( 1.839 -1.215 -3.843) 4.430 3.986 ( 1.839 -1.215 3.843) 4.430 5.834 ( 0.879 -2.079 -2.590) 3.435 5.834 ( 0.879 -2.079 2.590) 3.435 6.922 ( 2.587 -7.998 -1.533) 8.544 6.922 ( 2.587 -7.998 1.533) 8.544 7.063 ( -0.683 -3.386 -4.132) 5.386 7.063 ( -0.683 -3.386 4.132) 5.386 7.457 ( 1.307 15.412 -1.556) 15.545 7.457 ( 1.307 15.412 1.556) 15.545 7.615 ( -0.897 32.132 -6.535) 32.802 7.615 ( -0.897 32.132 6.535) 32.802 9.109 ( 4.475 -11.799 -1.403) 12.697 9.109 ( 4.475 -11.799 1.403) 12.697 9.443 ( 2.237 -0.645 -3.388) 4.111 9.443 ( 2.237 -0.645 3.388) 4.111 10.439 ( -19.155 0.332 -0.883) 19.178 10.439 ( -19.155 0.332 0.883) 19.178 11.205 ( 1.149 -4.450 -1.350) 4.789 11.205 ( 1.149 -4.450 1.350) 4.789 11.757 ( -7.448 -9.559 -10.608) 16.105 11.757 ( -7.448 -9.559 10.608) 16.105 12.280 ( 0.753 -4.212 -2.509) 4.961 12.280 ( 0.753 -4.212 2.509) 4.961 12.420 ( 2.115 -0.455 -1.534) 2.652 12.420 ( 2.115 -0.455 1.534) 2.652 12.948 ( -0.500 -0.281 -7.047) 7.071 12.948 ( -0.500 -0.281 7.047) 7.071 13.695 ( 2.185 18.399 -6.207) 19.540 13.695 ( 2.185 18.399 6.207) 19.540 14.062 ( -2.862 -4.193 -8.637) 10.018 14.062 ( -2.862 -4.193 8.637) 10.018 15.030 ( 11.687 -7.845 -2.915) 14.375 15.030 ( 11.687 -7.845 2.915) 14.375 15.183 ( 0.631 -2.969 -2.243) 3.774 15.183 ( 0.631 -2.969 2.243) 3.774 16.632 ( 0.191 -3.052 -0.247) 3.068 16.632 ( 0.191 -3.052 0.247) 3.068 16.744 ( 0.088 -3.745 -1.483) 4.029 16.744 ( 0.088 -3.745 1.483) 4.029 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 2.856 9.324 -3.615) 10.400 0.596 ( 2.856 9.324 3.615) 10.400 0.866 ( 3.459 1.584 -3.457) 5.140 0.866 ( 3.459 1.584 3.457) 5.140 0.938 ( -2.678 14.218 -2.273) 14.645 0.938 ( -2.678 14.218 2.273) 14.645 1.082 ( 1.051 3.127 -0.461) 3.331 1.082 ( 1.051 3.127 0.461) 3.331 1.126 ( 0.899 1.746 -4.010) 4.465 1.126 ( 0.899 1.746 4.010) 4.465 1.196 ( -1.938 12.302 -5.176) 13.486 1.196 ( -1.938 12.302 5.176) 13.486 1.235 ( -2.206 7.425 -0.824) 7.789 1.235 ( -2.206 7.425 0.824) 7.789 1.316 ( 4.057 9.656 -2.266) 10.716 1.316 ( 4.057 9.656 2.266) 10.716 1.409 ( -2.410 4.958 -2.466) 6.040 1.409 ( -2.410 4.958 2.466) 6.040 1.832 ( -3.281 -2.247 -2.309) 4.599 1.832 ( -3.281 -2.247 2.309) 4.599 2.142 ( -3.115 4.162 -0.869) 5.271 2.142 ( -3.115 4.162 0.869) 5.271 2.195 ( -1.363 28.690 -0.440) 28.725 2.195 ( -1.363 28.690 0.440) 28.725 2.787 ( 2.006 -1.224 -1.458) 2.765 2.787 ( 2.006 -1.224 1.458) 2.765 2.890 ( -3.237 -2.208 -2.054) 4.424 2.890 ( -3.237 -2.208 2.054) 4.424 3.632 ( 1.155 19.580 -0.344) 19.617 3.632 ( 1.155 19.580 0.344) 19.617 3.829 ( 3.462 8.384 -1.039) 9.130 3.829 ( 3.462 8.384 1.039) 9.130 4.011 ( 0.496 -1.263 -1.929) 2.359 4.011 ( 0.496 -1.263 1.929) 2.359 5.850 ( 0.510 -2.322 -1.013) 2.585 5.850 ( 0.510 -2.322 1.013) 2.585 6.970 ( 1.707 -8.561 -1.440) 8.847 6.970 ( 1.707 -8.561 1.440) 8.847 7.047 ( -0.726 -3.309 -2.229) 4.055 7.047 ( -0.726 -3.309 2.229) 4.055 7.484 ( 1.072 15.666 -0.520) 15.712 7.484 ( 1.072 15.666 0.520) 15.712 7.596 ( -0.767 32.334 -2.840) 32.467 7.596 ( -0.767 32.334 2.840) 32.467 9.197 ( 3.051 -13.998 -0.875) 14.353 9.197 ( 3.051 -13.998 0.875) 14.353 9.530 ( 6.108 -6.517 -3.553) 9.612 9.530 ( 6.108 -6.517 3.553) 9.612 10.050 ( -15.859 10.752 -5.005) 19.803 10.050 ( -15.859 10.752 5.005) 19.803 11.220 ( 0.373 -3.016 -0.297) 3.053 11.220 ( 0.373 -3.016 0.297) 3.053 11.669 ( -1.820 -8.186 -2.928) 8.882 11.669 ( -1.820 -8.186 2.928) 8.882 12.279 ( -0.306 -8.004 -1.106) 8.086 12.279 ( -0.306 -8.004 1.106) 8.086 12.442 ( 0.357 7.320 -0.256) 7.333 12.442 ( 0.357 7.320 0.256) 7.333 12.944 ( -0.021 -6.354 -2.124) 6.699 12.944 ( -0.021 -6.354 2.124) 6.699 13.749 ( 2.385 12.339 -4.174) 13.243 13.749 ( 2.385 12.339 4.174) 13.243 14.004 ( -2.262 6.290 -5.320) 8.543 14.004 ( -2.262 6.290 5.320) 8.543 15.165 ( 1.178 -2.221 -1.259) 2.812 15.165 ( 1.178 -2.221 1.259) 2.812 15.238 ( 4.254 -13.316 -1.785) 14.092 15.238 ( 4.254 -13.316 1.785) 14.092 16.636 ( 0.136 -3.133 -0.113) 3.138 16.636 ( 0.136 -3.133 0.113) 3.138 16.745 ( 0.013 -3.535 -0.558) 3.578 16.745 ( 0.013 -3.535 0.558) 3.578 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 7.254 -4.353) 8.460 0.655 ( 0.000 7.254 4.353) 8.460 0.773 ( 0.000 8.644 -2.966) 9.138 0.773 ( 0.000 8.644 2.966) 9.138 1.016 ( 0.000 3.460 -7.140) 7.934 1.016 ( 0.000 3.460 7.140) 7.934 1.172 ( 0.000 2.232 -5.320) 5.769 1.172 ( 0.000 2.232 5.320) 5.769 1.360 ( 0.000 10.441 -0.797) 10.472 1.360 ( 0.000 10.441 0.797) 10.472 1.478 ( 0.000 14.804 -0.448) 14.811 1.478 ( 0.000 14.804 0.448) 14.811 1.500 ( 0.000 11.839 -1.682) 11.957 1.500 ( 0.000 11.839 1.682) 11.957 1.553 ( 0.000 10.931 -2.069) 11.125 1.553 ( 0.000 10.931 2.069) 11.125 1.631 ( 0.000 12.283 -0.874) 12.314 1.631 ( 0.000 12.283 0.874) 12.314 2.047 ( 0.000 1.389 -4.321) 4.539 2.047 ( 0.000 1.389 4.321) 4.539 2.286 ( 0.000 1.990 -2.022) 2.837 2.286 ( 0.000 1.990 2.022) 2.837 2.548 ( 0.000 0.409 -3.919) 3.940 2.548 ( 0.000 0.409 3.919) 3.940 2.919 ( 0.000 6.646 -0.710) 6.684 2.919 ( 0.000 6.646 0.710) 6.684 3.250 ( 0.000 32.873 -2.078) 32.938 3.250 ( 0.000 32.873 2.078) 32.938 3.500 ( 0.000 3.538 -3.000) 4.639 3.500 ( 0.000 3.538 3.000) 4.639 3.950 ( 0.000 1.322 -3.266) 3.523 3.950 ( 0.000 1.322 3.266) 3.523 4.461 ( 0.000 40.456 -0.113) 40.457 4.461 ( 0.000 40.456 0.113) 40.457 5.776 ( 0.000 -2.467 -3.277) 4.102 5.776 ( 0.000 -2.467 3.277) 4.102 6.737 ( 0.000 -7.249 -0.821) 7.295 6.737 ( 0.000 -7.249 0.821) 7.295 6.995 ( 0.000 -3.904 -3.455) 5.214 6.995 ( 0.000 -3.904 3.455) 5.214 7.742 ( 0.000 12.579 -0.527) 12.590 7.742 ( 0.000 12.579 0.527) 12.590 8.189 ( 0.000 16.965 -10.123) 19.755 8.189 ( 0.000 16.965 10.123) 19.755 8.875 ( 0.000 -4.696 -0.753) 4.756 8.875 ( 0.000 -4.696 0.753) 4.756 9.295 ( 0.000 -11.020 -5.231) 12.198 9.295 ( 0.000 -11.020 5.231) 12.198 10.680 ( 0.000 5.829 -8.126) 10.000 10.680 ( 0.000 5.829 8.126) 10.000 10.987 ( 0.000 -11.995 -5.614) 13.244 10.987 ( 0.000 -11.995 5.614) 13.244 11.594 ( 0.000 -12.868 -14.480) 19.371 11.594 ( 0.000 -12.868 14.480) 19.371 12.128 ( 0.000 -12.145 -2.310) 12.362 12.128 ( 0.000 -12.145 2.310) 12.362 12.433 ( 0.000 11.358 -0.591) 11.374 12.433 ( 0.000 11.358 0.591) 11.374 13.100 ( 0.000 5.773 -11.551) 12.914 13.100 ( 0.000 5.773 11.551) 12.914 13.878 ( 0.000 1.624 -15.637) 15.721 13.878 ( 0.000 1.624 15.637) 15.721 14.177 ( 0.000 18.922 -2.591) 19.099 14.177 ( 0.000 18.922 2.591) 19.099 14.854 ( 0.000 -0.500 -9.521) 9.534 14.854 ( 0.000 -0.500 9.521) 9.534 15.133 ( 0.000 -1.651 -0.673) 1.783 15.133 ( 0.000 -1.651 0.673) 1.783 16.546 ( 0.000 -4.930 -0.424) 4.948 16.546 ( 0.000 -4.930 0.424) 4.948 16.654 ( 0.000 -4.464 -1.859) 4.835 16.654 ( 0.000 -4.464 1.859) 4.835 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 3.991 7.049 -3.443) 8.802 0.696 ( 3.991 7.049 3.443) 8.802 0.851 ( 6.626 8.444 -2.820) 11.098 0.851 ( 6.626 8.444 2.820) 11.098 1.028 ( 1.436 2.161 -5.706) 6.268 1.028 ( 1.436 2.161 5.706) 6.268 1.189 ( 1.216 3.280 -4.553) 5.742 1.189 ( 1.216 3.280 4.553) 5.742 1.303 ( -5.594 6.630 -2.942) 9.160 1.303 ( -5.594 6.630 2.942) 9.160 1.441 ( -2.327 14.779 -1.098) 15.001 1.441 ( -2.327 14.779 1.098) 15.001 1.501 ( -0.839 10.968 -2.210) 11.220 1.501 ( -0.839 10.968 2.210) 11.220 1.564 ( 1.534 15.350 -1.429) 15.493 1.564 ( 1.534 15.350 1.429) 15.493 1.621 ( -0.882 12.623 -1.601) 12.754 1.621 ( -0.882 12.623 1.601) 12.754 1.966 ( -7.672 1.118 -2.382) 8.111 1.966 ( -7.672 1.118 2.382) 8.111 2.251 ( -2.453 3.601 -1.151) 4.506 2.251 ( -2.453 3.601 1.151) 4.506 2.577 ( 2.033 0.409 -2.450) 3.210 2.577 ( 2.033 0.409 2.450) 3.210 2.890 ( -2.390 3.470 -0.702) 4.271 2.890 ( -2.390 3.470 0.702) 4.271 3.207 ( -2.536 36.613 -0.697) 36.707 3.207 ( -2.536 36.613 0.697) 36.707 3.599 ( 7.352 2.090 -1.363) 7.764 3.599 ( 7.352 2.090 1.363) 7.764 3.972 ( 1.770 1.226 -2.705) 3.457 3.972 ( 1.770 1.226 2.705) 3.457 4.461 ( 0.004 40.415 -0.166) 40.416 4.461 ( 0.004 40.415 0.166) 40.416 5.784 ( 0.730 -2.475 -2.668) 3.712 5.784 ( 0.730 -2.475 2.668) 3.712 6.763 ( 2.275 -7.385 -0.478) 7.742 6.763 ( 2.275 -7.385 0.478) 7.742 6.985 ( -0.850 -4.030 -2.892) 5.033 6.985 ( -0.850 -4.030 2.892) 5.033 7.759 ( 1.465 12.507 -0.442) 12.600 7.759 ( 1.465 12.507 0.442) 12.600 8.198 ( 0.868 18.445 -8.633) 20.384 8.198 ( 0.868 18.445 8.633) 20.384 8.884 ( 0.931 -6.665 -1.333) 6.861 8.884 ( 0.931 -6.665 1.333) 6.861 9.295 ( -0.009 -11.693 -4.536) 12.542 9.295 ( -0.009 -11.693 4.536) 12.542 10.562 ( -10.054 10.752 -3.399) 15.108 10.562 ( -10.054 10.752 3.399) 15.108 11.020 ( 2.227 -12.342 -2.999) 12.895 11.020 ( 2.227 -12.342 2.999) 12.895 11.539 ( -4.035 -11.031 -10.324) 15.638 11.539 ( -4.035 -11.031 10.324) 15.638 12.112 ( -1.199 -10.912 -1.671) 11.104 12.112 ( -1.199 -10.912 1.671) 11.104 12.495 ( 5.082 8.568 -2.270) 10.218 12.495 ( 5.082 8.568 2.270) 10.218 13.023 ( -6.382 5.348 -11.228) 13.979 13.023 ( -6.382 5.348 11.228) 13.979 13.927 ( 3.545 5.109 -11.271) 12.872 13.927 ( 3.545 5.109 11.271) 12.872 14.198 ( 1.685 16.281 -4.296) 16.922 14.198 ( 1.685 16.281 4.296) 16.922 14.904 ( 4.426 -3.684 -6.269) 8.513 14.904 ( 4.426 -3.684 6.269) 8.513 15.134 ( 0.054 -1.628 -0.614) 1.741 15.134 ( 0.054 -1.628 0.614) 1.741 16.549 ( 0.189 -4.884 -0.367) 4.902 16.549 ( 0.189 -4.884 0.367) 4.902 16.655 ( 0.136 -4.504 -1.522) 4.756 16.655 ( 0.136 -4.504 1.522) 4.756 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 4.278 6.174 -1.502) 7.660 0.790 ( 4.278 6.174 1.502) 7.660 0.961 ( 3.825 9.928 -5.565) 12.007 0.961 ( 3.825 9.928 5.565) 12.007 1.064 ( -1.247 1.062 -2.627) 3.095 1.064 ( -1.247 1.062 2.627) 3.095 1.154 ( -1.710 5.214 -2.759) 6.142 1.154 ( -1.710 5.214 2.759) 6.142 1.263 ( 2.832 3.097 -1.527) 4.466 1.263 ( 2.832 3.097 1.527) 4.466 1.380 ( -4.044 13.163 -1.543) 13.857 1.380 ( -4.044 13.163 1.543) 13.857 1.493 ( 0.144 13.461 -1.288) 13.523 1.493 ( 0.144 13.461 1.288) 13.523 1.586 ( -0.443 12.166 -1.240) 12.237 1.586 ( -0.443 12.166 1.240) 12.237 1.617 ( 1.347 15.002 -1.428) 15.130 1.617 ( 1.347 15.002 1.428) 15.130 1.804 ( -6.564 1.911 -0.760) 6.879 1.804 ( -6.564 1.911 0.760) 6.879 2.215 ( -0.992 6.343 -0.266) 6.426 2.215 ( -0.992 6.343 0.266) 6.426 2.605 ( 0.722 0.080 -0.681) 0.996 2.605 ( 0.722 0.080 0.681) 0.996 2.851 ( -1.154 0.641 -0.404) 1.380 2.851 ( -1.154 0.641 0.404) 1.380 3.175 ( -0.732 40.423 -0.085) 40.430 3.175 ( -0.732 40.423 0.085) 40.430 3.714 ( 3.441 -0.222 -0.351) 3.466 3.714 ( 3.441 -0.222 0.351) 3.466 4.001 ( 0.881 1.370 -1.104) 1.968 4.001 ( 0.881 1.370 1.104) 1.968 4.461 ( 0.009 40.317 -0.093) 40.317 4.461 ( 0.009 40.317 0.093) 40.317 5.797 ( 0.436 -2.485 -1.026) 2.723 5.797 ( 0.436 -2.485 1.026) 2.723 6.806 ( 1.497 -7.502 -0.227) 7.653 6.806 ( 1.497 -7.502 0.227) 7.653 6.968 ( -0.681 -4.210 -1.224) 4.437 6.968 ( -0.681 -4.210 1.224) 4.437 7.785 ( 0.868 12.256 -0.167) 12.288 7.785 ( 0.868 12.256 0.167) 12.288 8.216 ( 0.641 21.240 -3.602) 21.553 8.216 ( 0.641 21.240 3.602) 21.553 8.905 ( 0.820 -10.611 -0.882) 10.679 8.905 ( 0.820 -10.611 0.882) 10.679 9.295 ( 0.032 -13.166 -2.011) 13.318 9.295 ( 0.032 -13.166 2.011) 13.318 10.380 ( -6.088 19.080 -0.443) 20.033 10.380 ( -6.088 19.080 0.443) 20.033 11.050 ( 0.768 -13.081 -0.615) 13.118 11.050 ( 0.768 -13.081 0.615) 13.118 11.482 ( -1.417 -9.651 -3.082) 10.230 11.482 ( -1.417 -9.651 3.082) 10.230 12.093 ( -0.613 -10.061 -0.616) 10.098 12.093 ( -0.613 -10.061 0.616) 10.098 12.587 ( 3.286 6.974 -2.553) 8.121 12.587 ( 3.286 6.974 2.553) 8.121 12.909 ( -3.979 4.170 -5.791) 8.170 12.909 ( -3.979 4.170 5.791) 8.170 13.979 ( 1.431 9.130 -3.725) 9.964 13.979 ( 1.431 9.130 3.725) 9.964 14.225 ( 0.788 13.897 -2.436) 14.131 14.225 ( 0.788 13.897 2.436) 14.131 14.984 ( 2.654 -8.383 -1.570) 8.932 14.984 ( 2.654 -8.383 1.570) 8.932 15.134 ( 0.002 -1.465 -0.305) 1.497 15.134 ( 0.002 -1.465 0.305) 1.497 16.552 ( 0.118 -4.821 -0.156) 4.825 16.552 ( 0.118 -4.821 0.156) 4.825 16.658 ( 0.081 -4.549 -0.590) 4.588 16.658 ( 0.081 -4.549 0.590) 4.588 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 4.511 -0.775) 4.577 0.790 ( 0.000 4.511 0.775) 4.577 0.943 ( 0.000 8.265 -2.625) 8.672 0.943 ( 0.000 8.265 2.625) 8.672 1.099 ( 0.000 3.534 -7.803) 8.566 1.099 ( 0.000 3.534 7.803) 8.566 1.242 ( 0.000 5.179 -6.017) 7.939 1.242 ( 0.000 5.179 6.017) 7.939 1.466 ( 0.000 2.324 -4.851) 5.379 1.466 ( 0.000 2.324 4.851) 5.379 1.740 ( 0.000 11.969 -0.644) 11.986 1.740 ( 0.000 11.969 0.644) 11.986 1.772 ( 0.000 13.397 -2.642) 13.655 1.772 ( 0.000 13.397 2.642) 13.655 1.849 ( 0.000 12.271 -0.650) 12.288 1.849 ( 0.000 12.271 0.650) 12.288 1.901 ( 0.000 14.216 -2.266) 14.396 1.901 ( 0.000 14.216 2.266) 14.396 2.047 ( 0.000 0.242 -2.830) 2.840 2.047 ( 0.000 0.242 2.830) 2.840 2.359 ( 0.000 2.355 -1.970) 3.071 2.359 ( 0.000 2.355 1.970) 3.071 2.578 ( 0.000 3.446 -4.604) 5.750 2.578 ( 0.000 3.446 4.604) 5.750 2.956 ( 0.000 2.589 -1.642) 3.066 2.956 ( 0.000 2.589 1.642) 3.066 3.604 ( 0.000 8.315 -1.230) 8.406 3.604 ( 0.000 8.315 1.230) 8.406 3.825 ( 0.000 8.864 -1.104) 8.933 3.825 ( 0.000 8.864 1.104) 8.933 4.246 ( 0.000 33.018 -0.464) 33.021 4.246 ( 0.000 33.018 0.464) 33.021 5.308 ( 0.000 40.740 -0.051) 40.740 5.308 ( 0.000 40.740 0.051) 40.740 5.749 ( 0.000 1.018 -3.473) 3.619 5.749 ( 0.000 1.018 3.473) 3.619 6.610 ( 0.000 -4.573 -3.619) 5.832 6.610 ( 0.000 -4.573 3.619) 5.832 6.929 ( 0.000 -1.702 -1.284) 2.132 6.929 ( 0.000 -1.702 1.284) 2.132 7.896 ( 0.000 1.617 -3.575) 3.924 7.896 ( 0.000 1.617 3.575) 3.924 8.215 ( 0.000 -9.739 -1.397) 9.838 8.215 ( 0.000 -9.739 1.397) 9.838 8.927 ( 0.000 3.525 -6.343) 7.256 8.927 ( 0.000 3.525 6.343) 7.256 9.139 ( 0.000 0.821 -9.209) 9.245 9.139 ( 0.000 0.821 9.209) 9.245 10.681 ( 0.000 -8.801 -4.422) 9.850 10.681 ( 0.000 -8.801 4.422) 9.850 10.905 ( 0.000 6.196 -14.287) 15.573 10.905 ( 0.000 6.196 14.287) 15.573 11.354 ( 0.000 -10.933 -11.525) 15.886 11.354 ( 0.000 -10.933 11.525) 15.886 11.893 ( 0.000 -10.456 -0.990) 10.503 11.893 ( 0.000 -10.456 0.990) 10.503 12.675 ( 0.000 11.487 -1.386) 11.570 12.675 ( 0.000 11.487 1.386) 11.570 13.251 ( 0.000 10.688 -5.844) 12.181 13.251 ( 0.000 10.688 5.844) 12.181 13.985 ( 0.000 6.929 -11.116) 13.099 13.985 ( 0.000 6.929 11.116) 13.099 14.507 ( 0.000 11.846 -0.684) 11.866 14.507 ( 0.000 11.846 0.684) 11.866 14.850 ( 0.000 0.005 -6.476) 6.476 14.850 ( 0.000 0.005 6.476) 6.476 15.128 ( 0.000 1.130 -1.293) 1.717 15.128 ( 0.000 1.130 1.293) 1.717 16.438 ( 0.000 -5.443 -0.859) 5.510 16.438 ( 0.000 -5.443 0.859) 5.510 16.574 ( 0.000 -3.154 -1.988) 3.728 16.574 ( 0.000 -3.154 1.988) 3.728 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 2.515 3.936 -1.170) 4.815 0.814 ( 2.515 3.936 1.170) 4.815 1.003 ( 4.822 5.412 -3.848) 8.207 1.003 ( 4.822 5.412 3.848) 8.207 1.106 ( 1.210 5.203 -7.551) 9.250 1.106 ( 1.210 5.203 7.551) 9.250 1.259 ( 1.773 4.495 -5.594) 7.392 1.259 ( 1.773 4.495 5.594) 7.392 1.410 ( -5.022 4.065 -4.847) 8.077 1.410 ( -5.022 4.065 4.847) 8.077 1.696 ( -4.683 9.507 -1.416) 10.692 1.696 ( -4.683 9.507 1.416) 10.692 1.768 ( -0.489 12.848 -1.433) 12.937 1.768 ( -0.489 12.848 1.433) 12.937 1.841 ( -1.307 10.254 -0.974) 10.383 1.841 ( -1.307 10.254 0.974) 10.383 1.904 ( 0.736 15.233 -1.102) 15.291 1.904 ( 0.736 15.233 1.102) 15.291 2.011 ( -2.842 4.707 -2.014) 5.856 2.011 ( -2.842 4.707 2.014) 5.856 2.361 ( 0.392 4.323 -1.572) 4.616 2.361 ( 0.392 4.323 1.572) 4.616 2.571 ( -0.824 0.722 -3.514) 3.681 2.571 ( -0.824 0.722 3.514) 3.681 2.935 ( -1.554 4.315 -1.566) 4.847 2.935 ( -1.554 4.315 1.566) 4.847 3.657 ( 4.562 7.191 -0.794) 8.553 3.657 ( 4.562 7.191 0.794) 8.553 3.832 ( 0.467 9.459 -0.987) 9.522 3.832 ( 0.467 9.459 0.987) 9.522 4.249 ( 0.291 31.945 -0.358) 31.948 4.249 ( 0.291 31.945 0.358) 31.948 5.309 ( 0.031 40.777 -0.056) 40.777 5.309 ( 0.031 40.777 0.056) 40.777 5.758 ( 0.781 1.068 -2.797) 3.094 5.758 ( 0.781 1.068 2.797) 3.094 6.633 ( 2.044 -4.739 -2.991) 5.965 6.633 ( 2.044 -4.739 2.991) 5.965 6.918 ( -1.045 -1.778 -0.967) 2.278 6.918 ( -1.045 -1.778 0.967) 2.278 7.911 ( 1.342 1.689 -2.841) 3.567 7.911 ( 1.342 1.689 2.841) 3.567 8.220 ( 0.433 -11.289 -1.498) 11.396 8.220 ( 0.433 -11.289 1.498) 11.396 8.942 ( 1.435 5.592 -5.392) 7.899 8.942 ( 1.435 5.592 5.392) 7.899 9.126 ( -1.287 -0.120 -7.702) 7.810 9.126 ( -1.287 -0.120 7.702) 7.810 10.688 ( 0.848 -6.449 -3.769) 7.518 10.688 ( 0.848 -6.449 3.769) 7.518 10.880 ( -2.712 6.351 -10.840) 12.852 10.880 ( -2.712 6.351 10.840) 12.852 11.318 ( -2.803 -10.607 -8.866) 14.106 11.318 ( -2.803 -10.607 8.866) 14.106 11.881 ( -1.082 -11.114 -1.095) 11.220 11.881 ( -1.082 -11.114 1.095) 11.220 12.701 ( 2.303 10.559 -2.073) 11.005 12.701 ( 2.303 10.559 2.073) 11.005 13.193 ( -4.823 11.982 -7.609) 14.990 13.193 ( -4.823 11.982 7.609) 14.990 14.044 ( 4.804 6.047 -9.999) 12.635 14.044 ( 4.804 6.047 9.999) 12.635 14.499 ( -0.686 11.191 -2.308) 11.447 14.499 ( -0.686 11.191 2.308) 11.447 14.868 ( 1.575 -0.384 -4.652) 4.926 14.868 ( 1.575 -0.384 4.652) 4.926 15.127 ( -0.113 0.892 -1.087) 1.411 15.127 ( -0.113 0.892 1.087) 1.411 16.441 ( 0.330 -5.339 -0.775) 5.405 16.441 ( 0.330 -5.339 0.775) 5.405 16.574 ( 0.034 -3.217 -1.676) 3.628 16.574 ( 0.034 -3.217 1.676) 3.628 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 2.663 2.486 -1.164) 3.825 0.874 ( 2.663 2.486 1.164) 3.825 1.047 ( -0.207 -0.342 -4.013) 4.032 1.047 ( -0.207 -0.342 4.013) 4.032 1.189 ( 5.808 8.828 -2.827) 10.939 1.189 ( 5.808 8.828 2.827) 10.939 1.288 ( -3.407 5.446 -2.155) 6.776 1.288 ( -3.407 5.446 2.155) 6.776 1.338 ( 3.321 5.873 -1.245) 6.861 1.338 ( 3.321 5.873 1.245) 6.861 1.552 ( -8.583 3.319 -0.966) 9.253 1.552 ( -8.583 3.319 0.966) 9.253 1.762 ( -0.063 12.496 -0.496) 12.506 1.762 ( -0.063 12.496 0.496) 12.506 1.813 ( -0.957 11.997 -0.502) 12.045 1.813 ( -0.957 11.997 0.502) 12.045 1.927 ( 1.258 13.976 -0.488) 14.041 1.927 ( 1.258 13.976 0.488) 14.041 1.963 ( -1.792 11.288 -1.009) 11.474 1.963 ( -1.792 11.288 1.009) 11.474 2.373 ( 0.561 7.344 -0.685) 7.397 2.373 ( 0.561 7.344 0.685) 7.397 2.550 ( -0.908 -3.335 -1.298) 3.692 2.550 ( -0.908 -3.335 1.298) 3.692 2.913 ( -0.561 6.319 -0.677) 6.380 2.913 ( -0.561 6.319 0.677) 6.380 3.742 ( 3.094 5.043 -0.226) 5.921 3.742 ( 3.094 5.043 0.226) 5.921 3.833 ( -0.421 11.431 -0.550) 11.452 3.833 ( -0.421 11.431 0.550) 11.452 4.255 ( 0.207 30.122 -0.126) 30.123 4.255 ( 0.207 30.122 0.126) 30.123 5.309 ( 0.021 40.841 -0.028) 40.841 5.309 ( 0.021 40.841 0.028) 40.841 5.772 ( 0.465 1.139 -1.059) 1.623 5.772 ( 0.465 1.139 1.059) 1.623 6.672 ( 1.406 -4.967 -1.230) 5.306 6.672 ( 1.406 -4.967 1.230) 5.306 6.897 ( -0.772 -1.876 -0.337) 2.057 6.897 ( -0.772 -1.876 0.337) 2.057 7.936 ( 0.811 2.037 -1.024) 2.420 7.936 ( 0.811 2.037 1.024) 2.420 8.228 ( 0.279 -14.278 -0.830) 14.305 8.228 ( 0.279 -14.278 0.830) 14.305 8.976 ( 1.555 11.560 -2.358) 11.900 8.976 ( 1.555 11.560 2.358) 11.900 9.095 ( -1.410 -4.121 -3.347) 5.493 9.095 ( -1.410 -4.121 3.347) 5.493 10.723 ( 2.878 0.588 -2.739) 4.016 10.723 ( 2.878 0.588 2.739) 4.016 10.802 ( -4.682 3.266 -4.462) 7.246 10.802 ( -4.682 3.266 4.462) 7.246 11.278 ( -0.987 -10.383 -2.765) 10.790 11.278 ( -0.987 -10.383 2.765) 10.790 11.861 ( -0.654 -12.073 -0.563) 12.104 11.861 ( -0.654 -12.073 0.563) 12.104 12.746 ( 1.653 8.873 -1.631) 9.172 12.746 ( 1.653 8.873 1.631) 9.172 13.108 ( -2.851 13.989 -4.175) 14.875 13.108 ( -2.851 13.989 4.175) 14.875 14.124 ( 2.468 5.380 -4.336) 7.337 14.124 ( 2.468 5.380 4.336) 7.337 14.487 ( -0.411 10.078 -1.651) 10.221 14.487 ( -0.411 10.078 1.651) 10.221 14.897 ( 0.970 -1.020 -1.480) 2.042 14.897 ( 0.970 -1.020 1.480) 2.042 15.124 ( -0.099 0.448 -0.450) 0.643 15.124 ( -0.099 0.448 0.450) 0.643 16.447 ( 0.201 -5.172 -0.347) 5.188 16.447 ( 0.201 -5.172 0.347) 5.188 16.575 ( 0.023 -3.322 -0.684) 3.392 16.575 ( 0.023 -3.322 0.684) 3.392 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.000 0.601 -0.113) 0.612 0.833 ( 0.000 0.601 0.113) 0.612 1.085 ( 0.000 3.053 -3.453) 4.609 1.085 ( 0.000 3.053 3.453) 4.609 1.174 ( 0.000 5.562 -1.391) 5.733 1.174 ( 0.000 5.562 1.391) 5.733 1.344 ( 0.000 3.557 -3.840) 5.234 1.344 ( 0.000 3.557 3.840) 5.234 1.500 ( 0.000 1.085 -2.854) 3.054 1.500 ( 0.000 1.085 2.854) 3.054 1.882 ( 0.000 1.390 -1.592) 2.113 1.882 ( 0.000 1.390 1.592) 2.113 1.990 ( 0.000 6.474 -0.363) 6.484 1.990 ( 0.000 6.474 0.363) 6.484 2.061 ( 0.000 11.127 -0.469) 11.136 2.061 ( 0.000 11.127 0.469) 11.136 2.137 ( 0.000 9.319 -2.594) 9.673 2.137 ( 0.000 9.319 2.594) 9.673 2.202 ( 0.000 12.706 -2.188) 12.893 2.202 ( 0.000 12.706 2.188) 12.893 2.356 ( 0.000 -1.475 -1.941) 2.438 2.356 ( 0.000 -1.475 1.941) 2.438 2.618 ( 0.000 -0.135 -2.780) 2.783 2.618 ( 0.000 -0.135 2.780) 2.783 3.112 ( 0.000 12.063 -2.332) 12.286 3.112 ( 0.000 12.063 2.332) 12.286 3.824 ( 0.000 11.795 -0.469) 11.804 3.824 ( 0.000 11.795 0.469) 11.804 3.946 ( 0.000 7.080 -0.110) 7.081 3.946 ( 0.000 7.080 0.110) 7.081 4.842 ( 0.000 19.206 -1.176) 19.242 4.842 ( 0.000 19.206 1.176) 19.242 5.895 ( 0.000 15.066 -2.786) 15.322 5.895 ( 0.000 15.066 2.786) 15.322 6.081 ( 0.000 33.176 -0.117) 33.176 6.081 ( 0.000 33.176 0.117) 33.176 6.576 ( 0.000 2.143 -6.504) 6.847 6.576 ( 0.000 2.143 6.504) 6.847 6.964 ( 0.000 5.933 -0.701) 5.974 6.964 ( 0.000 5.933 0.701) 5.974 7.812 ( 0.000 -9.552 -4.655) 10.626 7.812 ( 0.000 -9.552 4.655) 10.626 8.003 ( 0.000 -7.666 -0.424) 7.678 8.003 ( 0.000 -7.666 0.424) 7.678 8.948 ( 0.000 0.966 -5.510) 5.594 8.948 ( 0.000 0.966 5.510) 5.594 9.266 ( 0.000 6.861 -9.305) 11.560 9.266 ( 0.000 6.861 9.305) 11.560 10.523 ( 0.000 -5.732 -5.361) 7.849 10.523 ( 0.000 -5.732 5.361) 7.849 10.978 ( 0.000 -3.032 -8.122) 8.670 10.978 ( 0.000 -3.032 8.122) 8.670 11.158 ( 0.000 -5.777 -3.230) 6.619 11.158 ( 0.000 -5.777 3.230) 6.619 11.714 ( 0.000 -6.607 -0.494) 6.625 11.714 ( 0.000 -6.607 0.494) 6.625 12.917 ( 0.000 12.477 -1.172) 12.532 12.917 ( 0.000 12.477 1.172) 12.532 13.522 ( 0.000 14.292 -3.068) 14.618 13.522 ( 0.000 14.292 3.068) 14.618 14.125 ( 0.000 6.599 -9.671) 11.708 14.125 ( 0.000 6.599 9.671) 11.708 14.655 ( 0.000 3.294 -0.658) 3.359 14.655 ( 0.000 3.294 0.658) 3.359 14.850 ( 0.000 -0.266 -4.017) 4.025 14.850 ( 0.000 -0.266 4.017) 4.025 15.154 ( 0.000 0.570 -2.060) 2.137 15.154 ( 0.000 0.570 2.060) 2.137 16.330 ( 0.000 -4.953 -1.711) 5.240 16.330 ( 0.000 -4.953 1.711) 5.240 16.523 ( 0.000 -2.073 -2.081) 2.938 16.523 ( 0.000 -2.073 2.081) 2.938 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 1.739 0.274 -0.628) 1.869 0.851 ( 1.739 0.274 0.628) 1.869 1.066 ( -1.583 0.882 -5.600) 5.885 1.066 ( -1.583 0.882 5.600) 5.885 1.227 ( 4.823 5.779 -3.798) 8.431 1.227 ( 4.823 5.779 3.798) 8.431 1.347 ( 0.345 3.258 -3.267) 4.627 1.347 ( 0.345 3.258 3.267) 4.627 1.478 ( -1.880 2.509 -2.348) 3.917 1.478 ( -1.880 2.509 2.348) 3.917 1.795 ( -7.976 1.587 -1.390) 8.250 1.795 ( -7.976 1.587 1.390) 8.250 1.980 ( -0.366 7.914 -0.770) 7.960 1.980 ( -0.366 7.914 0.770) 7.960 2.060 ( -0.707 9.685 -0.389) 9.719 2.060 ( -0.707 9.685 0.389) 9.719 2.153 ( 1.349 10.316 -1.666) 10.537 2.153 ( 1.349 10.316 1.666) 10.537 2.204 ( 0.290 11.713 -1.937) 11.875 2.204 ( 0.290 11.713 1.937) 11.875 2.385 ( 2.623 -0.354 -2.005) 3.320 2.385 ( 2.623 -0.354 2.005) 3.320 2.588 ( -2.856 0.140 -2.529) 3.817 2.588 ( -2.856 0.140 2.529) 3.817 3.112 ( 0.073 12.267 -1.858) 12.407 3.112 ( 0.073 12.267 1.858) 12.407 3.855 ( 2.757 10.971 -0.486) 11.323 3.855 ( 2.757 10.971 0.486) 11.323 3.950 ( 0.313 6.677 -0.321) 6.692 3.950 ( 0.313 6.677 0.321) 6.692 4.840 ( -0.149 19.315 -0.956) 19.339 4.840 ( -0.149 19.315 0.956) 19.339 5.905 ( 0.857 15.149 -2.264) 15.341 5.905 ( 0.857 15.149 2.264) 15.341 6.083 ( 0.173 33.343 -0.183) 33.344 6.083 ( 0.173 33.343 0.183) 33.344 6.595 ( 1.697 1.826 -5.561) 6.094 6.595 ( 1.697 1.826 5.561) 6.094 6.952 ( -1.107 5.918 -0.913) 6.090 6.952 ( -1.107 5.918 0.913) 6.090 7.828 ( 1.642 -10.110 -4.647) 11.247 7.828 ( 1.642 -10.110 4.647) 11.247 7.984 ( -1.845 -7.770 -1.362) 8.101 7.984 ( -1.845 -7.770 1.362) 8.101 8.975 ( 2.502 0.862 -4.622) 5.326 8.975 ( 2.502 0.862 4.622) 5.326 9.256 ( -0.990 7.290 -8.074) 10.923 9.256 ( -0.990 7.290 8.074) 10.923 10.529 ( 0.599 -6.324 -4.522) 7.797 10.529 ( 0.599 -6.324 4.522) 7.797 10.990 ( 1.013 -3.274 -6.570) 7.410 10.990 ( 1.013 -3.274 6.570) 7.410 11.136 ( -1.971 -2.884 -3.466) 4.920 11.136 ( -1.971 -2.884 3.466) 4.920 11.680 ( -2.951 -7.767 -1.937) 8.532 11.680 ( -2.951 -7.767 1.937) 8.532 12.933 ( 1.466 12.306 -1.402) 12.472 12.933 ( 1.466 12.306 1.402) 12.472 13.480 ( -3.489 14.625 -4.839) 15.795 13.480 ( -3.489 14.625 4.839) 15.795 14.165 ( 3.368 5.874 -8.429) 10.812 14.165 ( 3.368 5.874 8.429) 10.812 14.642 ( -1.156 3.369 -2.149) 4.160 14.642 ( -1.156 3.369 2.149) 4.160 14.867 ( 1.467 -0.291 -3.063) 3.409 14.867 ( 1.467 -0.291 3.063) 3.409 15.147 ( -0.641 0.302 -1.822) 1.955 15.147 ( -0.641 0.302 1.822) 1.955 16.336 ( 0.552 -4.807 -1.512) 5.069 16.336 ( 0.552 -4.807 1.512) 5.069 16.522 ( -0.087 -2.147 -1.795) 2.800 16.522 ( -0.087 -2.147 1.795) 2.800 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 1.780 -0.532 -0.914) 2.070 0.891 ( 1.780 -0.532 0.914) 2.070 1.031 ( -1.525 -1.107 -3.027) 3.566 1.031 ( -1.525 -1.107 3.027) 3.566 1.321 ( 2.596 2.276 -1.599) 3.805 1.321 ( 2.596 2.276 1.599) 3.805 1.368 ( 1.832 3.710 -1.532) 4.412 1.368 ( 1.832 3.710 1.532) 4.412 1.464 ( 2.606 5.609 -1.310) 6.322 1.464 ( 2.606 5.609 1.310) 6.322 1.611 ( -9.703 3.360 -1.269) 10.347 1.611 ( -9.703 3.360 1.269) 10.347 1.979 ( 0.188 7.923 -0.367) 7.933 1.979 ( 0.188 7.923 0.367) 7.933 2.040 ( -0.871 9.405 -0.272) 9.449 2.040 ( -0.871 9.405 0.272) 9.449 2.175 ( 0.636 11.724 -0.433) 11.749 2.175 ( 0.636 11.724 0.433) 11.749 2.211 ( 0.228 10.840 -0.813) 10.873 2.211 ( 0.228 10.840 0.813) 10.873 2.447 ( 3.488 0.317 -2.000) 4.033 2.447 ( 3.488 0.317 2.000) 4.033 2.520 ( -3.734 0.770 -2.169) 4.386 2.520 ( -3.734 0.770 2.169) 4.386 3.114 ( 0.050 12.479 -0.694) 12.499 3.114 ( 0.050 12.479 0.694) 12.499 3.910 ( 2.337 10.512 -0.424) 10.777 3.910 ( 2.337 10.512 0.424) 10.777 3.949 ( -0.554 5.369 -0.403) 5.412 3.949 ( -0.554 5.369 0.403) 5.412 4.838 ( -0.095 19.484 -0.368) 19.488 4.838 ( -0.095 19.484 0.368) 19.488 5.920 ( 0.511 15.252 -0.870) 15.286 5.920 ( 0.511 15.252 0.870) 15.286 6.086 ( 0.098 33.614 -0.097) 33.614 6.086 ( 0.098 33.614 0.097) 33.614 6.628 ( 1.204 1.356 -2.387) 2.998 6.628 ( 1.204 1.356 2.387) 2.998 6.930 ( -0.780 5.903 -0.623) 5.987 6.930 ( -0.780 5.903 0.623) 5.987 7.871 ( 2.511 -12.427 -3.859) 13.252 7.871 ( 2.511 -12.427 3.859) 13.252 7.936 ( -2.675 -6.489 -2.550) 7.467 7.936 ( -2.675 -6.489 2.550) 7.467 9.026 ( 1.997 0.105 -2.131) 2.922 9.026 ( 1.997 0.105 2.131) 2.922 9.233 ( -1.039 8.499 -3.745) 9.345 9.233 ( -1.039 8.499 3.745) 9.345 10.542 ( 0.495 -7.619 -1.863) 7.859 10.542 ( 0.495 -7.619 1.863) 7.859 11.005 ( 0.288 -4.387 -2.641) 5.128 11.005 ( 0.288 -4.387 2.641) 5.128 11.103 ( -0.933 3.407 -2.924) 4.586 11.103 ( -0.933 3.407 2.924) 4.586 11.625 ( -1.881 -10.234 -1.385) 10.497 11.625 ( -1.881 -10.234 1.385) 10.497 12.961 ( 1.013 12.047 -0.872) 12.121 12.961 ( 1.013 12.047 0.872) 12.121 13.419 ( -2.009 15.071 -2.654) 15.434 13.419 ( -2.009 15.071 2.654) 15.434 14.223 ( 1.850 4.827 -3.585) 6.291 14.223 ( 1.850 4.827 3.585) 6.291 14.620 ( -0.719 3.483 -1.411) 3.826 14.620 ( -0.719 3.483 1.411) 3.826 14.894 ( 0.940 -0.278 -1.136) 1.500 14.894 ( 0.940 -0.278 1.136) 1.500 15.135 ( -0.472 -0.152 -0.822) 0.960 15.135 ( -0.472 -0.152 0.822) 0.960 16.347 ( 0.340 -4.566 -0.663) 4.626 16.347 ( 0.340 -4.566 0.663) 4.626 16.520 ( -0.057 -2.278 -0.761) 2.403 16.520 ( -0.057 -2.278 0.761) 2.403 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.000 0.099 -0.110) 0.148 0.838 ( 0.000 0.099 0.110) 0.148 1.099 ( 0.000 -0.365 -5.546) 5.558 1.099 ( 0.000 -0.365 5.546) 5.558 1.273 ( 0.000 2.786 -0.084) 2.787 1.273 ( 0.000 2.786 0.084) 2.787 1.385 ( 0.000 0.925 -1.523) 1.782 1.385 ( 0.000 0.925 1.523) 1.782 1.499 ( 0.000 -1.336 -0.946) 1.637 1.499 ( 0.000 -1.336 0.946) 1.637 1.864 ( 0.000 -2.024 -1.788) 2.701 1.864 ( 0.000 -2.024 1.788) 2.701 2.122 ( 0.000 5.847 -2.108) 6.216 2.122 ( 0.000 5.847 2.108) 6.216 2.226 ( 0.000 5.973 -1.258) 6.104 2.226 ( 0.000 5.973 1.258) 6.104 2.289 ( 0.000 -0.136 -2.872) 2.876 2.289 ( 0.000 -0.136 2.872) 2.876 2.366 ( 0.000 5.632 -1.667) 5.873 2.366 ( 0.000 5.632 1.667) 5.873 2.405 ( 0.000 7.209 -0.963) 7.273 2.405 ( 0.000 7.209 0.963) 7.273 2.659 ( 0.000 6.064 -0.214) 6.068 2.659 ( 0.000 6.064 0.214) 6.068 3.385 ( 0.000 13.510 -2.486) 13.737 3.385 ( 0.000 13.510 2.486) 13.737 3.978 ( 0.000 4.029 -0.291) 4.039 3.978 ( 0.000 4.029 0.291) 4.039 4.211 ( 0.000 16.837 -0.801) 16.856 4.211 ( 0.000 16.837 0.801) 16.856 5.033 ( 0.000 2.539 -0.037) 2.539 5.033 ( 0.000 2.539 0.037) 2.539 6.294 ( 0.000 18.036 -0.556) 18.044 6.294 ( 0.000 18.036 0.556) 18.044 6.544 ( 0.000 13.405 -4.894) 14.271 6.544 ( 0.000 13.405 4.894) 14.271 6.814 ( 0.000 20.920 -2.692) 21.092 6.814 ( 0.000 20.920 2.692) 21.092 7.172 ( 0.000 12.957 -0.996) 12.995 7.172 ( 0.000 12.957 0.996) 12.995 7.569 ( 0.000 -11.704 -2.242) 11.916 7.569 ( 0.000 -11.704 2.242) 11.916 7.927 ( 0.000 -0.496 -8.031) 8.046 7.927 ( 0.000 -0.496 8.031) 8.046 8.981 ( 0.000 2.257 -5.041) 5.523 8.981 ( 0.000 2.257 5.041) 5.523 9.368 ( 0.000 3.163 -6.485) 7.216 9.368 ( 0.000 3.163 6.485) 7.216 10.434 ( 0.000 -3.796 -5.428) 6.624 10.434 ( 0.000 -3.796 5.428) 6.624 10.776 ( 0.000 -12.793 -4.393) 13.526 10.776 ( 0.000 -12.793 4.393) 13.526 11.124 ( 0.000 -0.421 -5.355) 5.371 11.124 ( 0.000 -0.421 5.355) 5.371 11.636 ( 0.000 -1.119 -2.296) 2.554 11.636 ( 0.000 -1.119 2.296) 2.554 13.180 ( 0.000 12.750 -0.090) 12.750 13.180 ( 0.000 12.750 0.090) 12.750 13.791 ( 0.000 11.177 -1.832) 11.326 13.791 ( 0.000 11.177 1.832) 11.326 14.260 ( 0.000 6.611 -9.499) 11.574 14.260 ( 0.000 6.611 9.499) 11.574 14.684 ( 0.000 0.320 -0.692) 0.762 14.684 ( 0.000 0.320 0.692) 0.762 14.828 ( 0.000 -1.849 -2.089) 2.790 14.828 ( 0.000 -1.849 2.089) 2.790 15.131 ( 0.000 -2.875 -1.926) 3.460 15.131 ( 0.000 -2.875 1.926) 3.460 16.236 ( 0.000 -4.202 -2.602) 4.942 16.236 ( 0.000 -4.202 2.602) 4.942 16.474 ( 0.000 -2.991 -2.150) 3.684 16.474 ( 0.000 -2.991 2.150) 3.684 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.904 -0.402 -0.763) 1.249 0.847 ( 0.904 -0.402 0.763) 1.249 1.063 ( -3.161 -0.777 -4.975) 5.946 1.063 ( -3.161 -0.777 4.975) 5.946 1.294 ( 1.642 0.837 -1.435) 2.336 1.294 ( 1.642 0.837 1.435) 2.336 1.392 ( 0.650 0.900 -1.451) 1.827 1.392 ( 0.650 0.900 1.451) 1.827 1.506 ( 0.997 0.382 -1.253) 1.647 1.506 ( 0.997 0.382 1.253) 1.647 1.802 ( -5.684 -0.772 -1.784) 6.007 1.802 ( -5.684 -0.772 1.784) 6.007 2.116 ( -0.499 5.814 -1.658) 6.066 2.116 ( -0.499 5.814 1.658) 6.066 2.218 ( -0.666 6.344 -0.906) 6.443 2.218 ( -0.666 6.344 0.906) 6.443 2.296 ( 0.676 -0.041 -1.356) 1.515 2.296 ( 0.676 -0.041 1.356) 1.515 2.374 ( 0.892 6.059 -1.130) 6.228 2.374 ( 0.892 6.059 1.130) 6.228 2.443 ( 3.099 6.323 -1.531) 7.206 2.443 ( 3.099 6.323 1.531) 7.206 2.635 ( -2.206 6.407 -1.058) 6.858 2.635 ( -2.206 6.407 1.058) 6.858 3.386 ( 0.036 13.447 -1.981) 13.592 3.386 ( 0.036 13.447 1.981) 13.592 3.989 ( 0.933 3.449 -0.260) 3.582 3.989 ( 0.933 3.449 0.260) 3.582 4.217 ( 0.462 16.719 -0.638) 16.737 4.217 ( 0.462 16.719 0.638) 16.737 5.034 ( 0.070 2.616 -0.070) 2.618 5.034 ( 0.070 2.616 0.070) 2.618 6.317 ( 2.059 19.843 -0.861) 19.969 6.317 ( 2.059 19.843 0.861) 19.969 6.547 ( 0.292 12.073 -4.257) 12.805 6.547 ( 0.292 12.073 4.257) 12.805 6.819 ( 0.426 20.565 -2.475) 20.718 6.819 ( 0.426 20.565 2.475) 20.718 7.158 ( -1.246 12.729 -1.540) 12.882 7.158 ( -1.246 12.729 1.540) 12.882 7.574 ( 0.448 -11.852 -2.998) 12.234 7.574 ( 0.448 -11.852 2.998) 12.234 7.913 ( -1.297 -0.378 -6.987) 7.116 7.913 ( -1.297 -0.378 6.987) 7.116 9.004 ( 2.101 2.062 -4.278) 5.193 9.004 ( 2.101 2.062 4.278) 5.193 9.363 ( -0.490 3.229 -5.535) 6.427 9.363 ( -0.490 3.229 5.535) 6.427 10.429 ( -0.399 -4.138 -4.457) 6.095 10.429 ( -0.399 -4.138 4.457) 6.095 10.771 ( -0.431 -13.116 -3.924) 13.698 10.771 ( -0.431 -13.116 3.924) 13.698 11.159 ( 3.550 1.050 -5.497) 6.628 11.159 ( 3.550 1.050 5.497) 6.628 11.586 ( -4.813 -1.409 -2.442) 5.578 11.586 ( -4.813 -1.409 2.442) 5.578 13.195 ( 1.376 12.775 -0.890) 12.880 13.195 ( 1.376 12.775 0.890) 12.880 13.751 ( -3.368 11.106 -3.871) 12.234 13.751 ( -3.368 11.106 3.871) 12.234 14.290 ( 2.535 6.352 -7.963) 10.497 14.290 ( 2.535 6.352 7.963) 10.497 14.675 ( -0.808 0.550 -1.655) 1.922 14.675 ( -0.808 0.550 1.655) 1.922 14.843 ( 1.282 -2.016 -1.798) 2.990 14.843 ( 1.282 -2.016 1.798) 2.990 15.119 ( -1.038 -3.064 -1.764) 3.685 15.119 ( -1.038 -3.064 1.764) 3.685 16.246 ( 0.904 -3.951 -2.287) 4.654 16.246 ( 0.904 -3.951 2.287) 4.654 16.471 ( -0.289 -3.145 -1.904) 3.688 16.471 ( -0.289 -3.145 1.904) 3.688 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 1.090 -1.257 -0.955) 1.919 0.869 ( 1.090 -1.257 0.955) 1.919 1.001 ( -2.338 -1.786 -2.533) 3.882 1.001 ( -2.338 -1.786 2.533) 3.882 1.320 ( 0.711 -1.082 -0.548) 1.406 1.320 ( 0.711 -1.082 0.548) 1.406 1.404 ( 0.318 -0.477 -0.679) 0.888 1.404 ( 0.318 -0.477 0.679) 0.888 1.555 ( 4.347 2.886 -1.771) 5.510 1.555 ( 4.347 2.886 1.771) 5.510 1.672 ( -6.820 1.778 -1.805) 7.275 1.672 ( -6.820 1.778 1.805) 7.275 2.108 ( -0.267 5.637 -0.628) 5.678 2.108 ( -0.267 5.637 0.628) 5.678 2.207 ( -0.342 6.957 -0.308) 6.972 2.207 ( -0.342 6.957 0.308) 6.972 2.309 ( 0.449 0.159 -0.291) 0.558 2.309 ( 0.449 0.159 0.291) 0.558 2.391 ( 0.584 5.780 -0.266) 5.816 2.391 ( 0.584 5.780 0.266) 5.816 2.507 ( 3.145 5.764 -1.513) 6.738 2.507 ( 3.145 5.764 1.513) 6.738 2.582 ( -2.940 7.272 -1.469) 7.980 2.582 ( -2.940 7.272 1.469) 7.980 3.386 ( 0.015 13.350 -0.740) 13.371 3.386 ( 0.015 13.350 0.740) 13.371 4.005 ( 0.549 2.570 -0.111) 2.630 4.005 ( 0.549 2.570 0.111) 2.630 4.225 ( 0.287 16.516 -0.237) 16.521 4.225 ( 0.287 16.516 0.237) 16.521 5.035 ( 0.038 2.742 -0.043) 2.743 5.035 ( 0.038 2.742 0.043) 2.743 6.355 ( 1.274 23.474 -0.556) 23.515 6.355 ( 1.274 23.474 0.556) 23.515 6.553 ( 0.221 9.412 -1.857) 9.596 6.553 ( 0.221 9.412 1.857) 9.596 6.828 ( 0.360 19.813 -1.204) 19.853 6.828 ( 0.360 19.813 1.204) 19.853 7.134 ( -0.881 12.304 -1.027) 12.378 7.134 ( -0.881 12.304 1.027) 12.378 7.583 ( 0.319 -12.149 -1.805) 12.286 7.583 ( 0.319 -12.149 1.805) 12.286 7.888 ( -0.853 -0.088 -3.052) 3.170 7.888 ( -0.853 -0.088 3.052) 3.170 9.045 ( 1.444 1.674 -1.853) 2.885 9.045 ( 1.444 1.674 1.853) 2.885 9.352 ( -0.460 3.391 -2.385) 4.171 9.352 ( -0.460 3.391 2.385) 4.171 10.422 ( -0.254 -4.722 -1.741) 5.039 10.422 ( -0.254 -4.722 1.741) 5.039 10.763 ( -0.306 -13.441 -1.679) 13.548 10.763 ( -0.306 -13.441 1.679) 13.548 11.250 ( 4.737 5.283 -3.844) 8.070 11.250 ( 4.737 5.283 3.844) 8.070 11.472 ( -5.473 -3.911 -2.401) 7.143 11.472 ( -5.473 -3.911 2.401) 7.143 13.222 ( 1.006 12.909 -0.684) 12.966 13.222 ( 1.006 12.909 0.684) 12.966 13.691 ( -1.998 10.900 -2.201) 11.298 13.691 ( -1.998 10.900 2.201) 11.298 14.333 ( 1.358 5.930 -3.222) 6.884 14.333 ( 1.358 5.930 3.222) 6.884 14.660 ( -0.512 0.919 -1.009) 1.457 14.660 ( -0.512 0.919 1.009) 1.457 14.867 ( 0.866 -2.269 -0.791) 2.554 14.867 ( 0.866 -2.269 0.791) 2.554 15.099 ( -0.721 -3.354 -0.839) 3.532 15.099 ( -0.721 -3.354 0.839) 3.532 16.263 ( 0.573 -3.511 -1.005) 3.697 16.263 ( 0.573 -3.511 1.005) 3.697 16.465 ( -0.204 -3.436 -0.849) 3.545 16.465 ( -0.204 -3.436 0.849) 3.545 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.000 0.226 -0.139) 0.265 0.841 ( 0.000 0.226 0.139) 0.265 1.086 ( 0.000 -0.757 -3.934) 4.006 1.086 ( 0.000 -0.757 3.934) 4.006 1.299 ( 0.000 0.462 -0.277) 0.539 1.299 ( 0.000 0.462 0.277) 0.539 1.385 ( 0.000 -1.072 -1.139) 1.564 1.385 ( 0.000 -1.072 1.139) 1.564 1.461 ( 0.000 -1.721 -1.176) 2.084 1.461 ( 0.000 -1.721 1.176) 2.084 1.817 ( 0.000 -2.296 -1.271) 2.624 1.817 ( 0.000 -2.296 1.271) 2.624 2.178 ( 0.000 -0.627 -2.133) 2.223 2.178 ( 0.000 -0.627 2.133) 2.223 2.289 ( 0.000 1.114 -2.562) 2.793 2.289 ( 0.000 1.114 2.562) 2.793 2.317 ( 0.000 1.948 -1.510) 2.465 2.317 ( 0.000 1.948 1.510) 2.465 2.427 ( 0.000 4.528 -0.841) 4.605 2.427 ( 0.000 4.528 0.841) 4.605 2.581 ( 0.000 7.125 -1.141) 7.216 2.581 ( 0.000 7.125 1.141) 7.216 2.814 ( 0.000 7.269 -0.156) 7.271 2.814 ( 0.000 7.269 0.156) 7.271 3.643 ( 0.000 11.329 -1.900) 11.488 3.643 ( 0.000 11.329 1.900) 11.488 4.020 ( 0.000 0.040 -0.116) 0.123 4.020 ( 0.000 0.040 0.116) 0.123 4.555 ( 0.000 15.711 -0.797) 15.731 4.555 ( 0.000 15.711 0.797) 15.731 5.036 ( 0.000 -1.417 -0.481) 1.496 5.036 ( 0.000 -1.417 0.481) 1.496 6.481 ( 0.000 3.389 -3.371) 4.780 6.481 ( 0.000 3.389 3.371) 4.780 6.893 ( 0.000 17.130 -1.123) 17.167 6.893 ( 0.000 17.130 1.123) 17.167 7.164 ( 0.000 7.304 -0.522) 7.323 7.164 ( 0.000 7.304 0.522) 7.323 7.271 ( 0.000 -1.567 -2.042) 2.574 7.271 ( 0.000 -1.567 2.042) 2.574 7.564 ( 0.000 12.907 -2.647) 13.176 7.564 ( 0.000 12.907 2.647) 13.176 7.954 ( 0.000 2.246 -10.050) 10.298 7.954 ( 0.000 2.246 10.050) 10.298 9.043 ( 0.000 3.801 -4.298) 5.738 9.043 ( 0.000 3.801 4.298) 5.738 9.407 ( 0.000 0.887 -2.749) 2.889 9.407 ( 0.000 0.887 2.749) 2.889 10.326 ( 0.000 -7.441 -2.859) 7.971 10.326 ( 0.000 -7.441 2.859) 7.971 10.543 ( 0.000 -8.345 -2.800) 8.802 10.543 ( 0.000 -8.345 2.800) 8.802 11.124 ( 0.000 0.725 -1.589) 1.746 11.124 ( 0.000 0.725 1.589) 1.746 11.644 ( 0.000 1.242 -4.033) 4.220 11.644 ( 0.000 1.242 4.033) 4.220 13.423 ( 0.000 10.552 -1.431) 10.648 13.423 ( 0.000 10.552 1.431) 10.648 13.956 ( 0.000 4.623 -0.069) 4.624 13.956 ( 0.000 4.623 0.069) 4.624 14.397 ( 0.000 6.793 -7.640) 10.223 14.397 ( 0.000 6.793 7.640) 10.223 14.681 ( 0.000 -0.652 -0.120) 0.663 14.681 ( 0.000 -0.652 0.120) 0.663 14.788 ( 0.000 -1.603 -0.741) 1.766 14.788 ( 0.000 -1.603 0.741) 1.766 15.048 ( 0.000 -4.758 -1.726) 5.061 15.048 ( 0.000 -4.758 1.726) 5.061 16.161 ( 0.000 -3.020 -2.771) 4.098 16.161 ( 0.000 -3.020 2.771) 4.098 16.400 ( 0.000 -3.901 -2.099) 4.430 16.400 ( 0.000 -3.901 2.099) 4.430 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.040 -0.203 -0.861) 0.885 0.840 ( 0.040 -0.203 0.861) 0.885 1.042 ( -4.037 -1.093 -3.508) 5.459 1.042 ( -4.037 -1.093 3.508) 5.459 1.294 ( -0.078 -0.249 -0.710) 0.757 1.294 ( -0.078 -0.249 0.710) 0.757 1.378 ( -0.436 -1.878 -1.202) 2.272 1.378 ( -0.436 -1.878 1.202) 2.272 1.506 ( 3.596 -0.250 -1.265) 3.820 1.506 ( 3.596 -0.250 1.265) 3.820 1.772 ( -4.087 -1.822 -1.396) 4.687 1.772 ( -4.087 -1.822 1.396) 4.687 2.192 ( 1.101 0.662 -1.874) 2.272 2.192 ( 1.101 0.662 1.874) 2.272 2.273 ( -0.812 0.777 -1.390) 1.788 2.273 ( -0.812 0.777 1.390) 1.788 2.340 ( 1.519 2.661 -0.370) 3.086 2.340 ( 1.519 2.661 0.370) 3.086 2.423 ( -0.362 3.333 -0.709) 3.427 2.423 ( -0.362 3.333 0.709) 3.427 2.609 ( 2.598 7.129 -1.083) 7.665 2.609 ( 2.598 7.129 1.083) 7.665 2.795 ( -1.944 7.285 -0.542) 7.559 2.795 ( -1.944 7.285 0.542) 7.559 3.642 ( -0.020 11.328 -1.520) 11.430 3.642 ( -0.020 11.328 1.520) 11.430 4.024 ( 0.294 -0.186 -0.104) 0.363 4.024 ( 0.294 -0.186 0.104) 0.363 4.557 ( 0.202 15.598 -0.644) 15.613 4.557 ( 0.202 15.598 0.644) 15.613 5.037 ( 0.127 -1.419 -0.376) 1.473 5.037 ( 0.127 -1.419 0.376) 1.473 6.528 ( 4.464 3.704 -3.373) 6.710 6.528 ( 4.464 3.704 3.373) 6.710 6.874 ( -1.965 16.505 -0.826) 16.642 6.874 ( -1.965 16.505 0.826) 16.642 7.170 ( 0.618 7.356 -0.531) 7.401 7.170 ( 0.618 7.356 0.531) 7.401 7.256 ( -1.402 -0.876 -2.024) 2.614 7.256 ( -1.402 -0.876 2.024) 2.614 7.565 ( 0.163 12.541 -2.612) 12.811 7.565 ( 0.163 12.541 2.612) 12.811 7.941 ( -1.181 2.279 -8.469) 8.849 7.941 ( -1.181 2.279 8.469) 8.849 9.064 ( 1.875 3.786 -3.784) 5.672 9.064 ( 1.875 3.786 3.784) 5.672 9.399 ( -0.781 0.466 -2.394) 2.561 9.399 ( -0.781 0.466 2.394) 2.561 10.327 ( 0.081 -6.468 -2.626) 6.981 10.327 ( 0.081 -6.468 2.626) 6.981 10.527 ( -1.430 -9.311 -2.676) 9.793 10.527 ( -1.430 -9.311 2.676) 9.793 11.174 ( 4.933 0.999 -1.597) 5.280 11.174 ( 4.933 0.999 1.597) 5.280 11.595 ( -4.839 1.426 -3.697) 6.254 11.595 ( -4.839 1.426 3.697) 6.254 13.440 ( 1.655 10.789 -1.593) 11.031 13.440 ( 1.655 10.789 1.593) 11.031 13.915 ( -3.585 4.592 -3.289) 6.690 13.915 ( -3.585 4.592 3.289) 6.690 14.423 ( 2.189 6.538 -6.723) 9.630 14.423 ( 2.189 6.538 6.723) 9.630 14.676 ( -0.415 -0.401 -1.246) 1.373 14.676 ( -0.415 -0.401 1.246) 1.373 14.799 ( 0.968 -1.780 -0.674) 2.136 14.799 ( 0.968 -1.780 0.674) 2.136 15.032 ( -1.416 -5.020 -1.629) 5.464 15.032 ( -1.416 -5.020 1.629) 5.464 16.178 ( 1.529 -2.619 -2.520) 3.943 16.178 ( 1.529 -2.619 2.520) 3.943 16.392 ( -0.726 -4.193 -1.963) 4.687 16.392 ( -0.726 -4.193 1.963) 4.687 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.789 -0.612 -1.090) 1.478 0.849 ( 0.789 -0.612 1.090) 1.478 0.960 ( -3.256 -2.137 -1.987) 4.372 0.960 ( -3.256 -2.137 1.987) 4.372 1.299 ( 0.332 -0.684 -0.459) 0.888 1.299 ( 0.332 -0.684 0.459) 0.888 1.371 ( -0.210 -2.185 -0.623) 2.282 1.371 ( -0.210 -2.185 0.623) 2.282 1.584 ( 4.226 0.270 -1.340) 4.441 1.584 ( 4.226 0.270 1.340) 4.441 1.679 ( -4.837 -0.672 -1.422) 5.087 1.679 ( -4.837 -0.672 1.422) 5.087 2.209 ( 0.430 3.245 -0.818) 3.374 2.209 ( 0.430 3.245 0.818) 3.374 2.265 ( -0.123 -0.461 -0.596) 0.763 2.265 ( -0.123 -0.461 0.596) 0.763 2.363 ( 0.636 4.567 -0.087) 4.612 2.363 ( 0.636 4.567 0.087) 4.612 2.417 ( -0.134 0.748 -0.290) 0.813 2.417 ( -0.134 0.748 0.290) 0.813 2.670 ( 3.198 7.413 -0.891) 8.122 2.670 ( 3.198 7.413 0.891) 8.122 2.744 ( -2.886 7.066 -0.764) 7.671 2.744 ( -2.886 7.066 0.764) 7.671 3.642 ( -0.016 11.329 -0.570) 11.343 3.642 ( -0.016 11.329 0.570) 11.343 4.029 ( 0.179 -0.543 -0.045) 0.573 4.029 ( 0.179 -0.543 0.045) 0.573 4.561 ( 0.123 15.418 -0.246) 15.421 4.561 ( 0.123 15.418 0.246) 15.421 5.039 ( 0.075 -1.420 -0.136) 1.428 5.039 ( 0.075 -1.420 0.136) 1.428 6.628 ( 4.496 3.799 -2.347) 6.337 6.628 ( 4.496 3.799 2.347) 6.337 6.820 ( -2.922 15.706 -1.143) 16.017 6.820 ( -2.922 15.706 1.143) 16.017 7.189 ( 1.186 8.503 -0.586) 8.605 7.189 ( 1.186 8.503 0.586) 8.605 7.223 ( -1.721 -0.626 -1.327) 2.262 7.223 ( -1.721 -0.626 1.327) 2.262 7.569 ( 0.169 11.958 -1.317) 12.032 7.569 ( 0.169 11.958 1.317) 12.032 7.919 ( -0.762 2.318 -3.483) 4.253 7.919 ( -0.762 2.318 3.483) 4.253 9.101 ( 1.332 3.908 -1.731) 4.477 9.101 ( 1.332 3.908 1.731) 4.477 9.382 ( -0.676 -0.369 -1.125) 1.363 9.382 ( -0.676 -0.369 1.125) 1.363 10.329 ( 0.114 -4.445 -1.262) 4.622 10.329 ( 0.114 -4.445 1.262) 4.622 10.500 ( -0.926 -11.274 -1.333) 11.390 10.500 ( -0.926 -11.274 1.333) 11.390 11.305 ( 7.902 1.327 -1.925) 8.241 11.305 ( 7.902 1.327 1.925) 8.241 11.466 ( -7.869 1.798 -2.821) 8.551 11.466 ( -7.869 1.798 2.821) 8.551 13.475 ( 1.375 11.485 -1.012) 11.612 13.475 ( 1.375 11.485 1.012) 11.612 13.848 ( -2.368 4.082 -2.058) 5.149 13.848 ( -2.368 4.082 2.058) 5.149 14.461 ( 1.186 6.296 -2.857) 7.015 14.461 ( 1.186 6.296 2.857) 7.015 14.669 ( -0.257 -0.011 -0.797) 0.837 14.669 ( -0.257 -0.011 0.797) 0.837 14.817 ( 0.679 -2.013 -0.315) 2.147 14.817 ( 0.679 -2.013 0.315) 2.147 15.005 ( -0.959 -5.493 -0.810) 5.635 15.005 ( -0.959 -5.493 0.810) 5.635 16.207 ( 1.073 -1.754 -1.226) 2.394 16.207 ( 1.073 -1.754 1.226) 2.394 16.377 ( -0.595 -4.894 -1.005) 5.032 16.377 ( -0.595 -4.894 1.005) 5.032 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 0.146 -0.084) 0.168 0.845 ( 0.000 0.146 0.084) 0.168 1.073 ( 0.000 -0.378 -1.391) 1.441 1.073 ( 0.000 -0.378 1.391) 1.441 1.313 ( 0.000 1.163 -0.277) 1.196 1.313 ( 0.000 1.163 0.277) 1.196 1.348 ( 0.000 -2.112 -0.272) 2.129 1.348 ( 0.000 -2.112 0.272) 2.129 1.440 ( 0.000 -0.429 -0.526) 0.679 1.440 ( 0.000 -0.429 0.526) 0.679 1.781 ( 0.000 -0.953 -0.439) 1.050 1.781 ( 0.000 -0.953 0.439) 1.050 2.158 ( 0.000 -0.698 -0.735) 1.013 2.158 ( 0.000 -0.698 0.735) 1.013 2.267 ( 0.000 -1.010 -0.827) 1.306 2.267 ( 0.000 -1.010 0.827) 1.306 2.380 ( 0.000 2.066 -0.702) 2.182 2.380 ( 0.000 2.066 0.702) 2.182 2.505 ( 0.000 2.178 -0.255) 2.193 2.505 ( 0.000 2.178 0.255) 2.193 2.680 ( 0.000 2.452 -0.340) 2.475 2.680 ( 0.000 2.452 0.340) 2.475 2.921 ( 0.000 2.748 -0.079) 2.750 2.921 ( 0.000 2.748 0.079) 2.750 3.842 ( 0.000 7.886 -1.085) 7.960 3.842 ( 0.000 7.886 1.085) 7.960 3.978 ( 0.000 -4.031 -0.372) 4.049 3.978 ( 0.000 -4.031 0.372) 4.049 4.827 ( 0.000 10.385 -0.720) 10.410 4.827 ( 0.000 10.385 0.720) 10.410 4.978 ( 0.000 -4.587 -0.626) 4.630 4.978 ( 0.000 -4.587 0.626) 4.630 6.522 ( 0.000 1.112 -1.970) 2.263 6.522 ( 0.000 1.112 1.970) 2.263 7.000 ( 0.000 -3.666 -2.362) 4.361 7.000 ( 0.000 -3.666 2.362) 4.361 7.257 ( 0.000 8.707 -1.437) 8.825 7.257 ( 0.000 8.707 1.437) 8.825 7.354 ( 0.000 0.998 -0.034) 0.999 7.354 ( 0.000 0.998 0.034) 0.999 7.807 ( 0.000 8.216 -1.874) 8.427 7.807 ( 0.000 8.216 1.874) 8.427 7.979 ( 0.000 -0.385 -6.665) 6.676 7.979 ( 0.000 -0.385 6.665) 6.676 9.121 ( 0.000 2.793 -2.121) 3.508 9.121 ( 0.000 2.793 2.121) 3.508 9.413 ( 0.000 -0.031 -0.068) 0.074 9.413 ( 0.000 -0.031 0.068) 0.074 10.171 ( 0.000 -5.302 -0.194) 5.306 10.171 ( 0.000 -5.302 0.194) 5.306 10.443 ( 0.000 -2.153 -0.195) 2.162 10.443 ( 0.000 -2.153 0.195) 2.162 11.146 ( 0.000 0.881 -0.087) 0.885 11.146 ( 0.000 0.881 0.087) 0.885 11.666 ( 0.000 0.662 -1.926) 2.037 11.666 ( 0.000 0.662 1.926) 2.037 13.591 ( 0.000 4.992 -1.215) 5.137 13.591 ( 0.000 4.992 1.215) 5.137 13.990 ( 0.000 -0.306 -0.865) 0.917 13.990 ( 0.000 -0.306 0.865) 0.917 14.532 ( 0.000 5.878 -3.688) 6.939 14.532 ( 0.000 5.878 3.688) 6.939 14.645 ( 0.000 -3.024 -0.867) 3.145 14.645 ( 0.000 -3.024 0.867) 3.145 14.775 ( 0.000 0.146 -0.077) 0.165 14.775 ( 0.000 0.146 0.077) 0.165 14.961 ( 0.000 -2.853 -1.054) 3.041 14.961 ( 0.000 -2.853 1.054) 3.041 16.118 ( 0.000 -1.080 -1.333) 1.716 16.118 ( 0.000 -1.080 1.333) 1.716 16.334 ( 0.000 -1.962 -1.039) 2.220 16.334 ( 0.000 -1.962 1.039) 2.220 ======================= Grid point 222 (71/72) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -0.433 -0.008 -0.420) 0.604 0.838 ( -0.433 -0.008 0.420) 0.604 1.024 ( -4.687 -0.544 -1.290) 4.892 1.024 ( -4.687 -0.544 1.290) 4.892 1.296 ( -0.792 0.481 -0.342) 0.988 1.296 ( -0.792 0.481 0.342) 0.988 1.337 ( -0.376 -1.628 -0.508) 1.747 1.337 ( -0.376 -1.628 0.508) 1.747 1.500 ( 4.289 -0.212 -0.491) 4.322 1.500 ( 4.289 -0.212 0.491) 4.322 1.742 ( -3.519 -0.833 -0.504) 3.651 1.742 ( -3.519 -0.833 0.504) 3.651 2.184 ( 2.287 -0.487 -0.730) 2.450 2.184 ( 2.287 -0.487 0.730) 2.450 2.267 ( -0.092 -0.634 -0.779) 1.008 2.267 ( -0.092 -0.634 0.779) 1.008 2.393 ( 1.203 1.813 -0.605) 2.258 2.393 ( 1.203 1.813 0.605) 2.258 2.490 ( -1.356 2.030 -0.270) 2.456 2.490 ( -1.356 2.030 0.270) 2.456 2.709 ( 2.708 2.491 -0.328) 3.694 2.709 ( 2.708 2.491 0.328) 3.694 2.901 ( -1.993 2.736 -0.166) 3.389 2.901 ( -1.993 2.736 0.166) 3.389 3.843 ( 0.058 8.014 -0.877) 8.062 3.843 ( 0.058 8.014 0.877) 8.062 3.977 ( -0.029 -4.221 -0.305) 4.232 3.977 ( -0.029 -4.221 0.305) 4.232 4.828 ( 0.092 10.373 -0.587) 10.390 4.828 ( 0.092 10.373 0.587) 10.390 4.979 ( 0.099 -4.612 -0.506) 4.641 4.979 ( 0.099 -4.612 0.506) 4.641 6.576 ( 5.139 1.423 -2.074) 5.721 6.576 ( 5.139 1.423 2.074) 5.721 6.972 ( -2.872 -3.647 -2.464) 5.256 6.972 ( -2.872 -3.647 2.464) 5.256 7.257 ( 0.048 8.401 -1.179) 8.484 7.257 ( 0.048 8.401 1.179) 8.484 7.350 ( -0.299 1.016 -0.096) 1.064 7.350 ( -0.299 1.016 0.096) 1.064 7.809 ( 0.199 8.518 -2.023) 8.757 7.809 ( 0.199 8.518 2.023) 8.757 7.964 ( -1.342 -0.661 -5.844) 6.033 7.964 ( -1.342 -0.661 5.844) 6.033 9.145 ( 2.348 3.125 -2.046) 4.412 9.145 ( 2.348 3.125 2.046) 4.412 9.391 ( -2.146 -0.774 -0.696) 2.385 9.391 ( -2.146 -0.774 0.696) 2.385 10.192 ( 2.041 -4.684 -0.277) 5.117 10.192 ( 2.041 -4.684 0.277) 5.117 10.412 ( -2.988 -2.493 -0.291) 3.902 10.412 ( -2.988 -2.493 0.291) 3.902 11.199 ( 5.166 0.932 -0.359) 5.262 11.199 ( 5.166 0.932 0.359) 5.262 11.620 ( -4.624 0.706 -1.791) 5.009 11.620 ( -4.624 0.706 1.791) 5.009 13.616 ( 2.483 5.394 -1.340) 6.088 13.616 ( 2.483 5.394 1.340) 6.088 13.947 ( -4.004 -0.491 -1.805) 4.419 13.947 ( -4.004 -0.491 1.805) 4.419 14.551 ( 1.636 5.460 -3.816) 6.859 14.551 ( 1.636 5.460 3.816) 6.859 14.649 ( 0.314 -2.491 -1.555) 2.953 14.649 ( 0.314 -2.491 1.555) 2.953 14.783 ( 0.792 0.088 -0.150) 0.811 14.783 ( 0.792 0.088 0.150) 0.811 14.938 ( -2.110 -3.210 -1.067) 3.987 14.938 ( -2.110 -3.210 1.067) 3.987 16.143 ( 2.355 -0.782 -1.312) 2.807 16.143 ( 2.355 -0.782 1.312) 2.807 16.320 ( -1.399 -2.207 -1.069) 2.824 16.320 ( -1.399 -2.207 1.069) 2.824 ======================= Grid point 224 (72/72) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 1.446 0.128 -0.702) 1.613 0.845 ( 1.446 0.128 0.702) 1.613 0.922 ( -4.657 -1.255 -0.979) 4.922 0.922 ( -4.657 -1.255 0.979) 4.922 1.297 ( 0.486 0.442 -0.328) 0.734 1.297 ( 0.486 0.442 0.328) 0.734 1.329 ( -0.455 -1.644 -0.395) 1.750 1.329 ( -0.455 -1.644 0.395) 1.750 1.582 ( 4.067 -0.156 -0.501) 4.100 1.582 ( 4.067 -0.156 0.501) 4.100 1.664 ( -4.153 -0.540 -0.530) 4.222 1.664 ( -4.153 -0.540 0.530) 4.222 2.230 ( 2.032 -0.110 -0.705) 2.154 2.230 ( 2.032 -0.110 0.705) 2.154 2.259 ( -0.872 -0.183 -0.713) 1.141 2.259 ( -0.872 -0.183 0.713) 1.141 2.423 ( 1.752 1.576 -0.437) 2.397 2.423 ( 1.752 1.576 0.437) 2.397 2.458 ( -1.775 1.722 -0.323) 2.494 2.458 ( -1.775 1.722 0.323) 2.494 2.775 ( 3.709 2.627 -0.290) 4.554 2.775 ( 3.709 2.627 0.290) 4.554 2.847 ( -3.353 2.636 -0.247) 4.272 2.847 ( -3.353 2.636 0.247) 4.272 3.844 ( 0.035 8.230 -0.335) 8.237 3.844 ( 0.035 8.230 0.335) 8.237 3.977 ( -0.018 -4.534 -0.119) 4.536 3.977 ( -0.018 -4.534 0.119) 4.536 4.830 ( 0.057 10.352 -0.226) 10.355 4.830 ( 0.057 10.352 0.226) 10.355 4.981 ( 0.060 -4.649 -0.193) 4.654 4.981 ( 0.060 -4.649 0.193) 4.654 6.697 ( 5.920 3.257 -1.853) 7.006 6.697 ( 5.920 3.257 1.853) 7.006 6.892 ( -4.562 -4.925 -2.047) 7.019 6.892 ( -4.562 -4.925 2.047) 7.019 7.259 ( 0.086 7.916 -0.459) 7.930 7.259 ( 0.086 7.916 0.459) 7.930 7.345 ( -0.210 1.016 -0.058) 1.039 7.345 ( -0.210 1.016 0.058) 1.039 7.814 ( 0.294 9.397 -1.266) 9.486 7.814 ( 0.294 9.397 1.266) 9.486 7.938 ( -0.981 -1.508 -2.699) 3.243 7.938 ( -0.981 -1.508 2.699) 3.243 9.199 ( 2.498 4.934 -1.332) 5.688 9.199 ( 2.498 4.934 1.332) 5.688 9.340 ( -2.389 -3.226 -0.867) 4.106 9.340 ( -2.389 -3.226 0.867) 4.106 10.247 ( 3.327 -2.863 -0.379) 4.406 10.247 ( 3.327 -2.863 0.379) 4.406 10.339 ( -3.878 -3.878 -0.389) 5.498 10.339 ( -3.878 -3.878 0.389) 5.498 11.333 ( 7.956 1.082 -0.855) 8.075 11.333 ( 7.956 1.082 0.855) 8.075 11.495 ( -7.660 0.709 -1.392) 7.817 11.495 ( -7.660 0.709 1.392) 7.817 13.679 ( 3.196 7.562 -1.187) 8.295 13.679 ( 3.196 7.562 1.187) 8.295 13.858 ( -4.043 -2.417 -1.542) 4.956 13.858 ( -4.043 -2.417 1.542) 4.956 14.581 ( 1.018 4.997 -1.994) 5.475 14.581 ( 1.018 4.997 1.994) 5.475 14.653 ( 0.096 -1.768 -1.062) 2.065 14.653 ( 0.096 -1.768 1.062) 2.065 14.804 ( 1.111 0.835 -0.251) 1.412 14.804 ( 1.111 0.835 0.251) 1.412 14.893 ( -1.890 -4.585 -0.698) 5.008 14.893 ( -1.890 -4.585 0.698) 5.008 16.196 ( 2.483 0.512 -0.985) 2.720 16.196 ( 2.483 0.512 0.985) 2.720 16.284 ( -1.918 -3.422 -0.889) 4.023 16.284 ( -1.918 -3.422 0.889) 4.023 =================== 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 3/21600 10.0 24.408 51.825 18.184 0.000 0.000 0.000 3/21600 20.0 7.164 24.621 5.787 0.000 0.000 0.000 3/21600 30.0 4.303 17.588 3.385 0.000 0.000 0.000 3/21600 40.0 3.117 14.702 2.398 0.000 0.000 0.000 3/21600 50.0 2.454 13.135 1.861 0.000 0.000 0.000 3/21600 60.0 2.027 11.990 1.521 0.000 0.000 0.000 3/21600 70.0 1.728 11.003 1.287 0.000 0.000 0.000 3/21600 80.0 1.507 10.110 1.116 0.000 0.000 0.000 3/21600 90.0 1.338 9.304 0.986 0.000 0.000 0.000 3/21600 100.0 1.205 8.583 0.885 0.000 0.000 0.000 3/21600 110.0 1.098 7.942 0.804 0.000 0.000 0.000 3/21600 120.0 1.010 7.375 0.738 0.000 0.000 0.000 3/21600 130.0 0.935 6.874 0.682 0.000 0.000 0.000 3/21600 140.0 0.872 6.430 0.635 0.000 0.000 0.000 3/21600 150.0 0.818 6.036 0.595 0.000 0.000 0.000 3/21600 160.0 0.770 5.685 0.560 0.000 0.000 0.000 3/21600 170.0 0.728 5.371 0.529 0.000 0.000 0.000 3/21600 180.0 0.690 5.089 0.502 0.000 0.000 0.000 3/21600 190.0 0.657 4.834 0.477 0.000 0.000 0.000 3/21600 200.0 0.626 4.603 0.455 0.000 0.000 0.000 3/21600 210.0 0.599 4.392 0.435 0.000 0.000 0.000 3/21600 220.0 0.573 4.200 0.417 0.000 0.000 0.000 3/21600 230.0 0.550 4.024 0.400 0.000 0.000 0.000 3/21600 240.0 0.529 3.862 0.384 0.000 0.000 0.000 3/21600 250.0 0.509 3.712 0.370 0.000 0.000 0.000 3/21600 260.0 0.491 3.573 0.357 0.000 0.000 0.000 3/21600 270.0 0.474 3.444 0.345 0.000 0.000 0.000 3/21600 280.0 0.458 3.324 0.333 0.000 0.000 0.000 3/21600 290.0 0.443 3.213 0.322 0.000 0.000 0.000 3/21600 300.0 0.429 3.108 0.312 0.000 0.000 0.000 3/21600 310.0 0.416 3.010 0.303 0.000 0.000 0.000 3/21600 320.0 0.404 2.918 0.294 0.000 0.000 0.000 3/21600 330.0 0.392 2.831 0.285 0.000 0.000 0.000 3/21600 340.0 0.381 2.750 0.277 0.000 0.000 0.000 3/21600 350.0 0.371 2.673 0.270 0.000 0.000 0.000 3/21600 360.0 0.361 2.600 0.263 0.000 0.000 0.000 3/21600 370.0 0.352 2.531 0.256 0.000 0.000 0.000 3/21600 380.0 0.343 2.465 0.250 0.000 0.000 0.000 3/21600 390.0 0.334 2.403 0.244 0.000 0.000 0.000 3/21600 400.0 0.326 2.344 0.238 0.000 0.000 0.000 3/21600 410.0 0.319 2.288 0.232 0.000 0.000 0.000 3/21600 420.0 0.311 2.234 0.227 0.000 0.000 0.000 3/21600 430.0 0.304 2.183 0.222 0.000 0.000 0.000 3/21600 440.0 0.298 2.134 0.217 0.000 0.000 0.000 3/21600 450.0 0.291 2.087 0.212 0.000 0.000 0.000 3/21600 460.0 0.285 2.042 0.208 0.000 0.000 0.000 3/21600 470.0 0.279 1.999 0.204 0.000 0.000 0.000 3/21600 480.0 0.274 1.958 0.199 0.000 0.000 0.000 3/21600 490.0 0.268 1.919 0.196 0.000 0.000 0.000 3/21600 500.0 0.263 1.881 0.192 0.000 0.000 0.000 3/21600 510.0 0.258 1.844 0.188 0.000 0.000 0.000 3/21600 520.0 0.253 1.809 0.185 0.000 0.000 0.000 3/21600 530.0 0.248 1.775 0.181 0.000 0.000 0.000 3/21600 540.0 0.244 1.743 0.178 0.000 0.000 0.000 3/21600 550.0 0.240 1.711 0.175 0.000 0.000 0.000 3/21600 560.0 0.235 1.681 0.172 0.000 0.000 0.000 3/21600 570.0 0.231 1.652 0.169 0.000 0.000 0.000 3/21600 580.0 0.228 1.624 0.166 0.000 0.000 0.000 3/21600 590.0 0.224 1.596 0.163 0.000 0.000 0.000 3/21600 600.0 0.220 1.570 0.161 0.000 0.000 0.000 3/21600 610.0 0.217 1.545 0.158 0.000 0.000 0.000 3/21600 620.0 0.213 1.520 0.156 0.000 0.000 0.000 3/21600 630.0 0.210 1.496 0.153 0.000 0.000 0.000 3/21600 640.0 0.207 1.473 0.151 0.000 0.000 0.000 3/21600 650.0 0.203 1.450 0.148 0.000 0.000 0.000 3/21600 660.0 0.200 1.428 0.146 0.000 0.000 0.000 3/21600 670.0 0.197 1.407 0.144 0.000 0.000 0.000 3/21600 680.0 0.195 1.387 0.142 0.000 0.000 0.000 3/21600 690.0 0.192 1.367 0.140 0.000 0.000 0.000 3/21600 700.0 0.189 1.347 0.138 0.000 0.000 0.000 3/21600 710.0 0.187 1.329 0.136 0.000 0.000 0.000 3/21600 720.0 0.184 1.310 0.134 0.000 0.000 0.000 3/21600 730.0 0.182 1.292 0.132 0.000 0.000 0.000 3/21600 740.0 0.179 1.275 0.131 0.000 0.000 0.000 3/21600 750.0 0.177 1.258 0.129 0.000 0.000 0.000 3/21600 760.0 0.174 1.242 0.127 0.000 0.000 0.000 3/21600 770.0 0.172 1.226 0.126 0.000 0.000 0.000 3/21600 780.0 0.170 1.210 0.124 0.000 0.000 0.000 3/21600 790.0 0.168 1.195 0.123 0.000 0.000 0.000 3/21600 800.0 0.166 1.180 0.121 0.000 0.000 0.000 3/21600 810.0 0.164 1.165 0.120 0.000 0.000 0.000 3/21600 820.0 0.162 1.151 0.118 0.000 0.000 0.000 3/21600 830.0 0.160 1.138 0.117 0.000 0.000 0.000 3/21600 840.0 0.158 1.124 0.115 0.000 0.000 0.000 3/21600 850.0 0.156 1.111 0.114 0.000 0.000 0.000 3/21600 860.0 0.154 1.098 0.113 0.000 0.000 0.000 3/21600 870.0 0.153 1.086 0.111 0.000 0.000 0.000 3/21600 880.0 0.151 1.073 0.110 0.000 0.000 0.000 3/21600 890.0 0.149 1.061 0.109 0.000 0.000 0.000 3/21600 900.0 0.148 1.050 0.108 0.000 0.000 0.000 3/21600 910.0 0.146 1.038 0.107 0.000 0.000 0.000 3/21600 920.0 0.144 1.027 0.105 0.000 0.000 0.000 3/21600 930.0 0.143 1.016 0.104 0.000 0.000 0.000 3/21600 940.0 0.141 1.005 0.103 0.000 0.000 0.000 3/21600 950.0 0.140 0.995 0.102 0.000 0.000 0.000 3/21600 960.0 0.138 0.984 0.101 0.000 0.000 0.000 3/21600 970.0 0.137 0.974 0.100 0.000 0.000 0.000 3/21600 980.0 0.136 0.964 0.099 0.000 0.000 0.000 3/21600 990.0 0.134 0.955 0.098 0.000 0.000 0.000 3/21600 1000.0 0.133 0.945 0.097 0.000 0.000 0.000 3/21600 Thermal conductivity related properties were written into "kappa-m5154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:58:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|