----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:24:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.470724681062716 -3.173639110000000 0.000000000000000 b 7.470724681062716 3.173639110000000 0.000000000000000 c -0.958870775292902 0.000000000000000 6.919644964422855 Atomic positions (fractional): *1 S 0.06932359762082 0.93067640237918 0.75000000000000 32.065 2 S 0.93067640237918 0.06932359762083 0.25000000000000 32.065 *3 Cl 0.52342699433894 0.30291601689961 0.57257685507182 35.453 4 Cl 0.69708398310039 0.47657300566106 0.92742314492818 35.453 5 Cl 0.47657300566106 0.69708398310039 0.42742314492818 35.453 6 Cl 0.30291601689961 0.52342699433894 0.07257685507182 35.453 *7 Cl 0.85778342996050 0.69936067707593 0.67891457896941 35.453 8 Cl 0.30063932292407 0.14221657003950 0.82108542103059 35.453 9 Cl 0.14221657003950 0.30063932292407 0.32108542103059 35.453 10 Cl 0.69936067707593 0.85778342996050 0.17891457896941 35.453 *11 Sm 0.10177510257022 0.68463177232110 0.42148021880969 150.360 12 Sm 0.31536822767890 0.89822489742979 0.07851978119031 150.360 13 Sm 0.89822489742978 0.31536822767890 0.57851978119031 150.360 14 Sm 0.68463177232110 0.10177510257021 0.92148021880969 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.941449362125432 0.000000000000000 0.000000000000000 b 0.000000000000000 6.347278220000000 0.000000000000000 c -0.958870775292902 0.000000000000000 6.919644964422855 Atomic positions (fractional): *1 S 0.00000000000000 0.93067640237918 0.75000000000000 32.065 > 1 2 S 0.00000000000000 0.06932359762083 0.25000000000000 32.065 > 2 3 S 0.50000000000000 0.43067640237917 0.75000000000000 32.065 > 1 4 S 0.50000000000000 0.56932359762082 0.25000000000000 32.065 > 2 *5 Cl 0.91317150561928 0.38974451128033 0.57257685507182 35.453 > 3 6 Cl 0.58682849438072 0.88974451128033 0.92742314492818 35.453 > 4 7 Cl 0.58682849438072 0.11025548871967 0.42742314492818 35.453 > 5 8 Cl 0.91317150561928 0.61025548871967 0.07257685507182 35.453 > 6 *9 Cl 0.77857205351822 0.92078862355771 0.67891457896941 35.453 > 7 10 Cl 0.72142794648178 0.42078862355771 0.82108542103059 35.453 > 8 11 Cl 0.72142794648178 0.57921137644229 0.32108542103059 35.453 > 9 12 Cl 0.77857205351822 0.07921137644229 0.17891457896941 35.453 > 10 13 Cl 0.41317150561928 0.88974451128033 0.57257685507182 35.453 > 3 14 Cl 0.08682849438072 0.38974451128033 0.92742314492818 35.453 > 4 15 Cl 0.08682849438072 0.61025548871967 0.42742314492818 35.453 > 5 16 Cl 0.41317150561928 0.11025548871967 0.07257685507182 35.453 > 6 17 Cl 0.27857205351822 0.42078862355771 0.67891457896941 35.453 > 7 18 Cl 0.22142794648178 0.92078862355771 0.82108542103059 35.453 > 8 19 Cl 0.22142794648178 0.07921137644229 0.32108542103059 35.453 > 9 20 Cl 0.27857205351822 0.57921137644229 0.17891457896941 35.453 > 10 *21 Sm 0.89320343744566 0.79142833487544 0.42148021880969 150.360 > 11 22 Sm 0.60679656255434 0.29142833487544 0.07851978119031 150.360 > 12 23 Sm 0.60679656255434 0.70857166512456 0.57851978119031 150.360 > 13 24 Sm 0.89320343744566 0.20857166512456 0.92148021880969 150.360 > 14 25 Sm 0.39320343744566 0.29142833487544 0.42148021880969 150.360 > 11 26 Sm 0.10679656255434 0.79142833487544 0.07851978119031 150.360 > 12 27 Sm 0.10679656255434 0.20857166512456 0.57851978119031 150.360 > 13 28 Sm 0.39320343744566 0.70857166512456 0.92148021880969 150.360 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.941449362125432 0.000000000000000 0.000000000000000 b 0.000000000000000 12.694556439999999 0.000000000000000 c -1.917741550585804 0.000000000000000 13.839289928845711 Atomic positions (fractional): *1 S 0.00000000000000 0.46533820118959 0.37500000000000 32.065 > 1 2 S 0.00000000000000 0.96533820118959 0.37500000000000 32.065 > 1 3 S 0.00000000000000 0.46533820118959 0.87500000000000 32.065 > 1 4 S 0.00000000000000 0.96533820118959 0.87500000000000 32.065 > 1 5 S 0.00000000000000 0.03466179881041 0.12500000000000 32.065 > 2 6 S 0.00000000000000 0.53466179881041 0.12500000000000 32.065 > 2 7 S 0.00000000000000 0.03466179881041 0.62500000000000 32.065 > 2 8 S 0.00000000000000 0.53466179881041 0.62500000000000 32.065 > 2 9 S 0.50000000000000 0.21533820118959 0.37500000000000 32.065 > 1 10 S 0.50000000000000 0.71533820118959 0.37500000000000 32.065 > 1 11 S 0.50000000000000 0.21533820118959 0.87500000000000 32.065 > 1 12 S 0.50000000000000 0.71533820118959 0.87500000000000 32.065 > 1 13 S 0.50000000000000 0.28466179881041 0.12500000000000 32.065 > 2 14 S 0.50000000000000 0.78466179881041 0.12500000000000 32.065 > 2 15 S 0.50000000000000 0.28466179881041 0.62500000000000 32.065 > 2 16 S 0.50000000000000 0.78466179881041 0.62500000000000 32.065 > 2 *17 Cl 0.91317150561928 0.19487225564017 0.28628842753591 35.453 > 3 18 Cl 0.91317150561928 0.69487225564017 0.28628842753591 35.453 > 3 19 Cl 0.91317150561928 0.19487225564017 0.78628842753591 35.453 > 3 20 Cl 0.91317150561928 0.69487225564017 0.78628842753591 35.453 > 3 21 Cl 0.58682849438072 0.44487225564017 0.46371157246409 35.453 > 4 22 Cl 0.58682849438072 0.94487225564017 0.46371157246409 35.453 > 4 23 Cl 0.58682849438072 0.44487225564017 0.96371157246409 35.453 > 4 24 Cl 0.58682849438072 0.94487225564017 0.96371157246409 35.453 > 4 25 Cl 0.58682849438072 0.05512774435983 0.21371157246409 35.453 > 5 26 Cl 0.58682849438072 0.55512774435983 0.21371157246409 35.453 > 5 27 Cl 0.58682849438072 0.05512774435983 0.71371157246409 35.453 > 5 28 Cl 0.58682849438072 0.55512774435983 0.71371157246409 35.453 > 5 29 Cl 0.91317150561928 0.30512774435983 0.03628842753591 35.453 > 6 30 Cl 0.91317150561928 0.80512774435983 0.03628842753591 35.453 > 6 31 Cl 0.91317150561928 0.30512774435983 0.53628842753591 35.453 > 6 32 Cl 0.91317150561928 0.80512774435983 0.53628842753591 35.453 > 6 *33 Cl 0.77857205351822 0.46039431177886 0.33945728948470 35.453 > 7 34 Cl 0.77857205351822 0.96039431177886 0.33945728948470 35.453 > 7 35 Cl 0.77857205351822 0.46039431177886 0.83945728948470 35.453 > 7 36 Cl 0.77857205351822 0.96039431177886 0.83945728948470 35.453 > 7 37 Cl 0.72142794648178 0.21039431177886 0.41054271051530 35.453 > 8 38 Cl 0.72142794648178 0.71039431177886 0.41054271051530 35.453 > 8 39 Cl 0.72142794648178 0.21039431177886 0.91054271051530 35.453 > 8 40 Cl 0.72142794648178 0.71039431177886 0.91054271051530 35.453 > 8 41 Cl 0.72142794648178 0.28960568822114 0.16054271051530 35.453 > 9 42 Cl 0.72142794648178 0.78960568822114 0.16054271051530 35.453 > 9 43 Cl 0.72142794648178 0.28960568822114 0.66054271051530 35.453 > 9 44 Cl 0.72142794648178 0.78960568822114 0.66054271051530 35.453 > 9 45 Cl 0.77857205351822 0.03960568822114 0.08945728948470 35.453 > 10 46 Cl 0.77857205351822 0.53960568822114 0.08945728948470 35.453 > 10 47 Cl 0.77857205351822 0.03960568822114 0.58945728948470 35.453 > 10 48 Cl 0.77857205351822 0.53960568822114 0.58945728948470 35.453 > 10 49 Cl 0.41317150561928 0.44487225564017 0.28628842753591 35.453 > 3 50 Cl 0.41317150561928 0.94487225564017 0.28628842753591 35.453 > 3 51 Cl 0.41317150561928 0.44487225564017 0.78628842753591 35.453 > 3 52 Cl 0.41317150561928 0.94487225564017 0.78628842753591 35.453 > 3 53 Cl 0.08682849438072 0.19487225564017 0.46371157246409 35.453 > 4 54 Cl 0.08682849438072 0.69487225564017 0.46371157246409 35.453 > 4 55 Cl 0.08682849438072 0.19487225564017 0.96371157246409 35.453 > 4 56 Cl 0.08682849438072 0.69487225564017 0.96371157246409 35.453 > 4 57 Cl 0.08682849438072 0.30512774435983 0.21371157246409 35.453 > 5 58 Cl 0.08682849438072 0.80512774435983 0.21371157246409 35.453 > 5 59 Cl 0.08682849438072 0.30512774435983 0.71371157246409 35.453 > 5 60 Cl 0.08682849438072 0.80512774435983 0.71371157246409 35.453 > 5 61 Cl 0.41317150561928 0.05512774435983 0.03628842753591 35.453 > 6 62 Cl 0.41317150561928 0.55512774435983 0.03628842753591 35.453 > 6 63 Cl 0.41317150561928 0.05512774435983 0.53628842753591 35.453 > 6 64 Cl 0.41317150561928 0.55512774435983 0.53628842753591 35.453 > 6 65 Cl 0.27857205351822 0.21039431177886 0.33945728948470 35.453 > 7 66 Cl 0.27857205351822 0.71039431177886 0.33945728948470 35.453 > 7 67 Cl 0.27857205351822 0.21039431177886 0.83945728948470 35.453 > 7 68 Cl 0.27857205351822 0.71039431177886 0.83945728948470 35.453 > 7 69 Cl 0.22142794648178 0.46039431177886 0.41054271051530 35.453 > 8 70 Cl 0.22142794648178 0.96039431177886 0.41054271051530 35.453 > 8 71 Cl 0.22142794648178 0.46039431177886 0.91054271051530 35.453 > 8 72 Cl 0.22142794648178 0.96039431177886 0.91054271051530 35.453 > 8 73 Cl 0.22142794648178 0.03960568822114 0.16054271051530 35.453 > 9 74 Cl 0.22142794648178 0.53960568822114 0.16054271051530 35.453 > 9 75 Cl 0.22142794648178 0.03960568822114 0.66054271051530 35.453 > 9 76 Cl 0.22142794648178 0.53960568822114 0.66054271051530 35.453 > 9 77 Cl 0.27857205351822 0.28960568822114 0.08945728948470 35.453 > 10 78 Cl 0.27857205351822 0.78960568822114 0.08945728948470 35.453 > 10 79 Cl 0.27857205351822 0.28960568822114 0.58945728948470 35.453 > 10 80 Cl 0.27857205351822 0.78960568822114 0.58945728948470 35.453 > 10 *81 Sm 0.89320343744566 0.39571416743772 0.21074010940484 150.360 > 11 82 Sm 0.89320343744566 0.89571416743772 0.21074010940484 150.360 > 11 83 Sm 0.89320343744566 0.39571416743772 0.71074010940484 150.360 > 11 84 Sm 0.89320343744566 0.89571416743772 0.71074010940484 150.360 > 11 85 Sm 0.60679656255434 0.14571416743772 0.03925989059516 150.360 > 12 86 Sm 0.60679656255434 0.64571416743772 0.03925989059516 150.360 > 12 87 Sm 0.60679656255434 0.14571416743772 0.53925989059516 150.360 > 12 88 Sm 0.60679656255434 0.64571416743772 0.53925989059516 150.360 > 12 89 Sm 0.60679656255434 0.35428583256228 0.28925989059516 150.360 > 13 90 Sm 0.60679656255434 0.85428583256228 0.28925989059516 150.360 > 13 91 Sm 0.60679656255434 0.35428583256228 0.78925989059516 150.360 > 13 92 Sm 0.60679656255434 0.85428583256228 0.78925989059516 150.360 > 13 93 Sm 0.89320343744566 0.10428583256228 0.46074010940484 150.360 > 14 94 Sm 0.89320343744566 0.60428583256228 0.46074010940484 150.360 > 14 95 Sm 0.89320343744566 0.10428583256228 0.96074010940484 150.360 > 14 96 Sm 0.89320343744566 0.60428583256228 0.96074010940484 150.360 > 14 97 Sm 0.39320343744566 0.14571416743772 0.21074010940484 150.360 > 11 98 Sm 0.39320343744566 0.64571416743772 0.21074010940484 150.360 > 11 99 Sm 0.39320343744566 0.14571416743772 0.71074010940484 150.360 > 11 100 Sm 0.39320343744566 0.64571416743772 0.71074010940484 150.360 > 11 101 Sm 0.10679656255434 0.39571416743772 0.03925989059516 150.360 > 12 102 Sm 0.10679656255434 0.89571416743772 0.03925989059516 150.360 > 12 103 Sm 0.10679656255434 0.39571416743772 0.53925989059516 150.360 > 12 104 Sm 0.10679656255434 0.89571416743772 0.53925989059516 150.360 > 12 105 Sm 0.10679656255434 0.10428583256228 0.28925989059516 150.360 > 13 106 Sm 0.10679656255434 0.60428583256228 0.28925989059516 150.360 > 13 107 Sm 0.10679656255434 0.10428583256228 0.78925989059516 150.360 > 13 108 Sm 0.10679656255434 0.60428583256228 0.78925989059516 150.360 > 13 109 Sm 0.39320343744566 0.35428583256228 0.46074010940484 150.360 > 14 110 Sm 0.39320343744566 0.85428583256228 0.46074010940484 150.360 > 14 111 Sm 0.39320343744566 0.35428583256228 0.96074010940484 150.360 > 14 112 Sm 0.39320343744566 0.85428583256228 0.96074010940484 150.360 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7131113 0.0000000 -0.0143056 0.0000000 4.6286342 0.0000000 -0.0143056 0.0000000 4.9648023 -------------------------- Born effective charges -------------------------- 1 S -1.8966840 0.0000000 -0.2027752 0.0000000 -1.8356236 0.0000000 -0.2762939 0.0000000 -2.9582374 2 S -1.8966840 0.0000000 -0.2027752 0.0000000 -1.8356236 0.0000000 -0.2762939 0.0000000 -2.9582374 3 Cl -0.9620762 0.1562485 0.1777615 0.0962765 -1.8505027 0.6758535 0.2703131 0.7503651 -1.5165098 4 Cl -0.9620762 -0.1562485 0.1777615 -0.0962765 -1.8505027 -0.6758535 0.2703131 -0.7503651 -1.5165098 5 Cl -0.9620762 0.1562485 0.1777615 0.0962765 -1.8505027 0.6758535 0.2703131 0.7503651 -1.5165098 6 Cl -0.9620762 -0.1562485 0.1777615 -0.0962765 -1.8505027 -0.6758535 0.2703131 -0.7503651 -1.5165098 7 Cl -1.9319074 -0.4601043 -0.0305016 -0.4662355 -1.0970441 -0.5429200 -0.0847381 -0.5805001 -1.2160423 8 Cl -1.9319074 0.4601043 -0.0305016 0.4662355 -1.0970441 0.5429200 -0.0847381 0.5805001 -1.2160423 9 Cl -1.9319074 -0.4601043 -0.0305016 -0.4662355 -1.0970441 -0.5429200 -0.0847381 -0.5805001 -1.2160423 10 Cl -1.9319074 0.4601043 -0.0305016 0.4662355 -1.0970441 0.5429200 -0.0847381 0.5805001 -1.2160423 11 Sm 3.8423255 0.2507521 -0.0458723 0.1906117 3.8653586 0.1880423 -0.0474280 -0.1506579 4.2116708 12 Sm 3.8423255 -0.2507521 -0.0458723 -0.1906117 3.8653586 -0.1880423 -0.0474280 0.1506579 4.2116708 13 Sm 3.8423255 0.2507521 -0.0458723 0.1906117 3.8653586 0.1880423 -0.0474280 -0.1506579 4.2116708 14 Sm 3.8423255 -0.2507521 -0.0458723 -0.1906117 3.8653586 -0.1880423 -0.0474280 0.1506579 4.2116708 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1850 Number of blocks in projector: 1850 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1850, 1819), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 389), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.050 Solver_block: 200 / 480 - Time: 3.023 Solver_block: 300 / 480 - Time: 3.030 Solver_block: 400 / 480 - Time: 3.019 Solver_block: 480 / 480 - Time: 2.449 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.621 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1850 Number of blocks in projector: 1850 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1850, 1819), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 389), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 08:24:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:24:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.470724681062716 -3.173639110000000 0.000000000000000 b 7.470724681062716 3.173639110000000 0.000000000000000 c -0.958870775292902 0.000000000000000 6.919644964422855 Atomic positions (fractional): 1 S 0.06932359762082 0.93067640237918 0.75000000000000 32.065 2 S 0.93067640237918 0.06932359762083 0.25000000000000 32.065 3 Cl 0.52342699433894 0.30291601689961 0.57257685507182 35.453 4 Cl 0.69708398310039 0.47657300566106 0.92742314492818 35.453 5 Cl 0.47657300566106 0.69708398310039 0.42742314492818 35.453 6 Cl 0.30291601689961 0.52342699433894 0.07257685507182 35.453 7 Cl 0.85778342996050 0.69936067707593 0.67891457896941 35.453 8 Cl 0.30063932292407 0.14221657003950 0.82108542103059 35.453 9 Cl 0.14221657003950 0.30063932292407 0.32108542103059 35.453 10 Cl 0.69936067707593 0.85778342996050 0.17891457896941 35.453 11 Sm 0.10177510257022 0.68463177232110 0.42148021880969 150.360 12 Sm 0.31536822767890 0.89822489742979 0.07851978119031 150.360 13 Sm 0.89822489742978 0.31536822767890 0.57851978119031 150.360 14 Sm 0.68463177232110 0.10177510257021 0.92148021880969 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.941449362125432 0.000000000000000 0.000000000000000 b 0.000000000000000 12.694556439999999 0.000000000000000 c -1.917741550585804 0.000000000000000 13.839289928845711 Atomic positions (fractional): 1 S 0.00000000000000 0.46533820118959 0.37500000000000 32.065 > 1 2 S 0.00000000000000 0.96533820118959 0.37500000000000 32.065 > 1 3 S 0.00000000000000 0.46533820118959 0.87500000000000 32.065 > 1 4 S 0.00000000000000 0.96533820118959 0.87500000000000 32.065 > 1 5 S 0.00000000000000 0.03466179881041 0.12500000000000 32.065 > 5 6 S 0.00000000000000 0.53466179881041 0.12500000000000 32.065 > 5 7 S 0.00000000000000 0.03466179881041 0.62500000000000 32.065 > 5 8 S 0.00000000000000 0.53466179881041 0.62500000000000 32.065 > 5 9 S 0.50000000000000 0.21533820118959 0.37500000000000 32.065 > 1 10 S 0.50000000000000 0.71533820118959 0.37500000000000 32.065 > 1 11 S 0.50000000000000 0.21533820118959 0.87500000000000 32.065 > 1 12 S 0.50000000000000 0.71533820118959 0.87500000000000 32.065 > 1 13 S 0.50000000000000 0.28466179881041 0.12500000000000 32.065 > 5 14 S 0.50000000000000 0.78466179881041 0.12500000000000 32.065 > 5 15 S 0.50000000000000 0.28466179881041 0.62500000000000 32.065 > 5 16 S 0.50000000000000 0.78466179881041 0.62500000000000 32.065 > 5 17 Cl 0.91317150561928 0.19487225564017 0.28628842753591 35.453 > 17 18 Cl 0.91317150561928 0.69487225564017 0.28628842753591 35.453 > 17 19 Cl 0.91317150561928 0.19487225564017 0.78628842753591 35.453 > 17 20 Cl 0.91317150561928 0.69487225564017 0.78628842753591 35.453 > 17 21 Cl 0.58682849438072 0.44487225564017 0.46371157246409 35.453 > 21 22 Cl 0.58682849438072 0.94487225564017 0.46371157246409 35.453 > 21 23 Cl 0.58682849438072 0.44487225564017 0.96371157246409 35.453 > 21 24 Cl 0.58682849438072 0.94487225564017 0.96371157246409 35.453 > 21 25 Cl 0.58682849438072 0.05512774435983 0.21371157246409 35.453 > 25 26 Cl 0.58682849438072 0.55512774435983 0.21371157246409 35.453 > 25 27 Cl 0.58682849438072 0.05512774435983 0.71371157246409 35.453 > 25 28 Cl 0.58682849438072 0.55512774435983 0.71371157246409 35.453 > 25 29 Cl 0.91317150561928 0.30512774435983 0.03628842753591 35.453 > 29 30 Cl 0.91317150561928 0.80512774435983 0.03628842753591 35.453 > 29 31 Cl 0.91317150561928 0.30512774435983 0.53628842753591 35.453 > 29 32 Cl 0.91317150561928 0.80512774435983 0.53628842753591 35.453 > 29 33 Cl 0.77857205351822 0.46039431177886 0.33945728948470 35.453 > 33 34 Cl 0.77857205351822 0.96039431177886 0.33945728948470 35.453 > 33 35 Cl 0.77857205351822 0.46039431177886 0.83945728948470 35.453 > 33 36 Cl 0.77857205351822 0.96039431177886 0.83945728948470 35.453 > 33 37 Cl 0.72142794648178 0.21039431177886 0.41054271051530 35.453 > 37 38 Cl 0.72142794648178 0.71039431177886 0.41054271051530 35.453 > 37 39 Cl 0.72142794648178 0.21039431177886 0.91054271051530 35.453 > 37 40 Cl 0.72142794648178 0.71039431177886 0.91054271051530 35.453 > 37 41 Cl 0.72142794648178 0.28960568822114 0.16054271051530 35.453 > 41 42 Cl 0.72142794648178 0.78960568822114 0.16054271051530 35.453 > 41 43 Cl 0.72142794648178 0.28960568822114 0.66054271051530 35.453 > 41 44 Cl 0.72142794648178 0.78960568822114 0.66054271051530 35.453 > 41 45 Cl 0.77857205351822 0.03960568822114 0.08945728948470 35.453 > 45 46 Cl 0.77857205351822 0.53960568822114 0.08945728948470 35.453 > 45 47 Cl 0.77857205351822 0.03960568822114 0.58945728948470 35.453 > 45 48 Cl 0.77857205351822 0.53960568822114 0.58945728948470 35.453 > 45 49 Cl 0.41317150561928 0.44487225564017 0.28628842753591 35.453 > 17 50 Cl 0.41317150561928 0.94487225564017 0.28628842753591 35.453 > 17 51 Cl 0.41317150561928 0.44487225564017 0.78628842753591 35.453 > 17 52 Cl 0.41317150561928 0.94487225564017 0.78628842753591 35.453 > 17 53 Cl 0.08682849438072 0.19487225564017 0.46371157246409 35.453 > 21 54 Cl 0.08682849438072 0.69487225564017 0.46371157246409 35.453 > 21 55 Cl 0.08682849438072 0.19487225564017 0.96371157246409 35.453 > 21 56 Cl 0.08682849438072 0.69487225564017 0.96371157246409 35.453 > 21 57 Cl 0.08682849438072 0.30512774435983 0.21371157246409 35.453 > 25 58 Cl 0.08682849438072 0.80512774435983 0.21371157246409 35.453 > 25 59 Cl 0.08682849438072 0.30512774435983 0.71371157246409 35.453 > 25 60 Cl 0.08682849438072 0.80512774435983 0.71371157246409 35.453 > 25 61 Cl 0.41317150561928 0.05512774435983 0.03628842753591 35.453 > 29 62 Cl 0.41317150561928 0.55512774435983 0.03628842753591 35.453 > 29 63 Cl 0.41317150561928 0.05512774435983 0.53628842753591 35.453 > 29 64 Cl 0.41317150561928 0.55512774435983 0.53628842753591 35.453 > 29 65 Cl 0.27857205351822 0.21039431177886 0.33945728948470 35.453 > 33 66 Cl 0.27857205351822 0.71039431177886 0.33945728948470 35.453 > 33 67 Cl 0.27857205351822 0.21039431177886 0.83945728948470 35.453 > 33 68 Cl 0.27857205351822 0.71039431177886 0.83945728948470 35.453 > 33 69 Cl 0.22142794648178 0.46039431177886 0.41054271051530 35.453 > 37 70 Cl 0.22142794648178 0.96039431177886 0.41054271051530 35.453 > 37 71 Cl 0.22142794648178 0.46039431177886 0.91054271051530 35.453 > 37 72 Cl 0.22142794648178 0.96039431177886 0.91054271051530 35.453 > 37 73 Cl 0.22142794648178 0.03960568822114 0.16054271051530 35.453 > 41 74 Cl 0.22142794648178 0.53960568822114 0.16054271051530 35.453 > 41 75 Cl 0.22142794648178 0.03960568822114 0.66054271051530 35.453 > 41 76 Cl 0.22142794648178 0.53960568822114 0.66054271051530 35.453 > 41 77 Cl 0.27857205351822 0.28960568822114 0.08945728948470 35.453 > 45 78 Cl 0.27857205351822 0.78960568822114 0.08945728948470 35.453 > 45 79 Cl 0.27857205351822 0.28960568822114 0.58945728948470 35.453 > 45 80 Cl 0.27857205351822 0.78960568822114 0.58945728948470 35.453 > 45 81 Sm 0.89320343744566 0.39571416743772 0.21074010940484 150.360 > 81 82 Sm 0.89320343744566 0.89571416743772 0.21074010940484 150.360 > 81 83 Sm 0.89320343744566 0.39571416743772 0.71074010940484 150.360 > 81 84 Sm 0.89320343744566 0.89571416743772 0.71074010940484 150.360 > 81 85 Sm 0.60679656255434 0.14571416743772 0.03925989059516 150.360 > 85 86 Sm 0.60679656255434 0.64571416743772 0.03925989059516 150.360 > 85 87 Sm 0.60679656255434 0.14571416743772 0.53925989059516 150.360 > 85 88 Sm 0.60679656255434 0.64571416743772 0.53925989059516 150.360 > 85 89 Sm 0.60679656255434 0.35428583256228 0.28925989059516 150.360 > 89 90 Sm 0.60679656255434 0.85428583256228 0.28925989059516 150.360 > 89 91 Sm 0.60679656255434 0.35428583256228 0.78925989059516 150.360 > 89 92 Sm 0.60679656255434 0.85428583256228 0.78925989059516 150.360 > 89 93 Sm 0.89320343744566 0.10428583256228 0.46074010940484 150.360 > 93 94 Sm 0.89320343744566 0.60428583256228 0.46074010940484 150.360 > 93 95 Sm 0.89320343744566 0.10428583256228 0.96074010940484 150.360 > 93 96 Sm 0.89320343744566 0.60428583256228 0.96074010940484 150.360 > 93 97 Sm 0.39320343744566 0.14571416743772 0.21074010940484 150.360 > 81 98 Sm 0.39320343744566 0.64571416743772 0.21074010940484 150.360 > 81 99 Sm 0.39320343744566 0.14571416743772 0.71074010940484 150.360 > 81 100 Sm 0.39320343744566 0.64571416743772 0.71074010940484 150.360 > 81 101 Sm 0.10679656255434 0.39571416743772 0.03925989059516 150.360 > 85 102 Sm 0.10679656255434 0.89571416743772 0.03925989059516 150.360 > 85 103 Sm 0.10679656255434 0.39571416743772 0.53925989059516 150.360 > 85 104 Sm 0.10679656255434 0.89571416743772 0.53925989059516 150.360 > 85 105 Sm 0.10679656255434 0.10428583256228 0.28925989059516 150.360 > 89 106 Sm 0.10679656255434 0.60428583256228 0.28925989059516 150.360 > 89 107 Sm 0.10679656255434 0.10428583256228 0.78925989059516 150.360 > 89 108 Sm 0.10679656255434 0.60428583256228 0.78925989059516 150.360 > 89 109 Sm 0.39320343744566 0.35428583256228 0.46074010940484 150.360 > 93 110 Sm 0.39320343744566 0.85428583256228 0.46074010940484 150.360 > 93 111 Sm 0.39320343744566 0.35428583256228 0.96074010940484 150.360 > 93 112 Sm 0.39320343744566 0.85428583256228 0.96074010940484 150.360 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7131113 0.0000000 -0.0143056 0.0000000 4.6286342 0.0000000 -0.0143056 0.0000000 4.9648023 -------------------------- Born effective charges -------------------------- 1 S -1.8966840 0.0000000 -0.2027752 0.0000000 -1.8356236 0.0000000 -0.2762939 0.0000000 -2.9582374 2 S -1.8966840 0.0000000 -0.2027752 0.0000000 -1.8356236 0.0000000 -0.2762939 0.0000000 -2.9582374 3 Cl -0.9620762 0.1562485 0.1777615 0.0962765 -1.8505027 0.6758535 0.2703131 0.7503651 -1.5165098 4 Cl -0.9620762 -0.1562485 0.1777615 -0.0962765 -1.8505027 -0.6758535 0.2703131 -0.7503651 -1.5165098 5 Cl -0.9620762 0.1562485 0.1777615 0.0962765 -1.8505027 0.6758535 0.2703131 0.7503651 -1.5165098 6 Cl -0.9620762 -0.1562485 0.1777615 -0.0962765 -1.8505027 -0.6758535 0.2703131 -0.7503651 -1.5165098 7 Cl -1.9319074 -0.4601043 -0.0305016 -0.4662355 -1.0970441 -0.5429200 -0.0847381 -0.5805001 -1.2160423 8 Cl -1.9319074 0.4601043 -0.0305016 0.4662355 -1.0970441 0.5429200 -0.0847381 0.5805001 -1.2160423 9 Cl -1.9319074 -0.4601043 -0.0305016 -0.4662355 -1.0970441 -0.5429200 -0.0847381 -0.5805001 -1.2160423 10 Cl -1.9319074 0.4601043 -0.0305016 0.4662355 -1.0970441 0.5429200 -0.0847381 0.5805001 -1.2160423 11 Sm 3.8423255 0.2507521 -0.0458723 0.1906117 3.8653586 0.1880423 -0.0474280 -0.1506579 4.2116708 12 Sm 3.8423255 -0.2507521 -0.0458723 -0.1906117 3.8653586 -0.1880423 -0.0474280 0.1506579 4.2116708 13 Sm 3.8423255 0.2507521 -0.0458723 0.1906117 3.8653586 0.1880423 -0.0474280 -0.1506579 4.2116708 14 Sm 3.8423255 -0.2507521 -0.0458723 -0.1906117 3.8653586 -0.1880423 -0.0474280 0.1506579 4.2116708 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:25:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:25:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.470724681062716 -3.173639110000000 0.000000000000000 b 7.470724681062716 3.173639110000000 0.000000000000000 c -0.958870775292902 0.000000000000000 6.919644964422855 Atomic positions (fractional): 1 S 0.06932359762082 0.93067640237918 0.75000000000000 32.065 2 S 0.93067640237918 0.06932359762083 0.25000000000000 32.065 3 Cl 0.52342699433894 0.30291601689961 0.57257685507182 35.453 4 Cl 0.69708398310039 0.47657300566106 0.92742314492818 35.453 5 Cl 0.47657300566106 0.69708398310039 0.42742314492818 35.453 6 Cl 0.30291601689961 0.52342699433894 0.07257685507182 35.453 7 Cl 0.85778342996050 0.69936067707593 0.67891457896941 35.453 8 Cl 0.30063932292407 0.14221657003950 0.82108542103059 35.453 9 Cl 0.14221657003950 0.30063932292407 0.32108542103059 35.453 10 Cl 0.69936067707593 0.85778342996050 0.17891457896941 35.453 11 Sm 0.10177510257022 0.68463177232110 0.42148021880969 150.360 12 Sm 0.31536822767890 0.89822489742979 0.07851978119031 150.360 13 Sm 0.89822489742978 0.31536822767890 0.57851978119031 150.360 14 Sm 0.68463177232110 0.10177510257021 0.92148021880969 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.941449362125432 0.000000000000000 0.000000000000000 b 0.000000000000000 12.694556439999999 0.000000000000000 c -1.917741550585804 0.000000000000000 13.839289928845711 Atomic positions (fractional): 1 S 0.00000000000000 0.46533820118959 0.37500000000000 32.065 > 1 2 S 0.00000000000000 0.96533820118959 0.37500000000000 32.065 > 1 3 S 0.00000000000000 0.46533820118959 0.87500000000000 32.065 > 1 4 S 0.00000000000000 0.96533820118959 0.87500000000000 32.065 > 1 5 S 0.00000000000000 0.03466179881041 0.12500000000000 32.065 > 5 6 S 0.00000000000000 0.53466179881041 0.12500000000000 32.065 > 5 7 S 0.00000000000000 0.03466179881041 0.62500000000000 32.065 > 5 8 S 0.00000000000000 0.53466179881041 0.62500000000000 32.065 > 5 9 S 0.50000000000000 0.21533820118959 0.37500000000000 32.065 > 1 10 S 0.50000000000000 0.71533820118959 0.37500000000000 32.065 > 1 11 S 0.50000000000000 0.21533820118959 0.87500000000000 32.065 > 1 12 S 0.50000000000000 0.71533820118959 0.87500000000000 32.065 > 1 13 S 0.50000000000000 0.28466179881041 0.12500000000000 32.065 > 5 14 S 0.50000000000000 0.78466179881041 0.12500000000000 32.065 > 5 15 S 0.50000000000000 0.28466179881041 0.62500000000000 32.065 > 5 16 S 0.50000000000000 0.78466179881041 0.62500000000000 32.065 > 5 17 Cl 0.91317150561928 0.19487225564017 0.28628842753591 35.453 > 17 18 Cl 0.91317150561928 0.69487225564017 0.28628842753591 35.453 > 17 19 Cl 0.91317150561928 0.19487225564017 0.78628842753591 35.453 > 17 20 Cl 0.91317150561928 0.69487225564017 0.78628842753591 35.453 > 17 21 Cl 0.58682849438072 0.44487225564017 0.46371157246409 35.453 > 21 22 Cl 0.58682849438072 0.94487225564017 0.46371157246409 35.453 > 21 23 Cl 0.58682849438072 0.44487225564017 0.96371157246409 35.453 > 21 24 Cl 0.58682849438072 0.94487225564017 0.96371157246409 35.453 > 21 25 Cl 0.58682849438072 0.05512774435983 0.21371157246409 35.453 > 25 26 Cl 0.58682849438072 0.55512774435983 0.21371157246409 35.453 > 25 27 Cl 0.58682849438072 0.05512774435983 0.71371157246409 35.453 > 25 28 Cl 0.58682849438072 0.55512774435983 0.71371157246409 35.453 > 25 29 Cl 0.91317150561928 0.30512774435983 0.03628842753591 35.453 > 29 30 Cl 0.91317150561928 0.80512774435983 0.03628842753591 35.453 > 29 31 Cl 0.91317150561928 0.30512774435983 0.53628842753591 35.453 > 29 32 Cl 0.91317150561928 0.80512774435983 0.53628842753591 35.453 > 29 33 Cl 0.77857205351822 0.46039431177886 0.33945728948470 35.453 > 33 34 Cl 0.77857205351822 0.96039431177886 0.33945728948470 35.453 > 33 35 Cl 0.77857205351822 0.46039431177886 0.83945728948470 35.453 > 33 36 Cl 0.77857205351822 0.96039431177886 0.83945728948470 35.453 > 33 37 Cl 0.72142794648178 0.21039431177886 0.41054271051530 35.453 > 37 38 Cl 0.72142794648178 0.71039431177886 0.41054271051530 35.453 > 37 39 Cl 0.72142794648178 0.21039431177886 0.91054271051530 35.453 > 37 40 Cl 0.72142794648178 0.71039431177886 0.91054271051530 35.453 > 37 41 Cl 0.72142794648178 0.28960568822114 0.16054271051530 35.453 > 41 42 Cl 0.72142794648178 0.78960568822114 0.16054271051530 35.453 > 41 43 Cl 0.72142794648178 0.28960568822114 0.66054271051530 35.453 > 41 44 Cl 0.72142794648178 0.78960568822114 0.66054271051530 35.453 > 41 45 Cl 0.77857205351822 0.03960568822114 0.08945728948470 35.453 > 45 46 Cl 0.77857205351822 0.53960568822114 0.08945728948470 35.453 > 45 47 Cl 0.77857205351822 0.03960568822114 0.58945728948470 35.453 > 45 48 Cl 0.77857205351822 0.53960568822114 0.58945728948470 35.453 > 45 49 Cl 0.41317150561928 0.44487225564017 0.28628842753591 35.453 > 17 50 Cl 0.41317150561928 0.94487225564017 0.28628842753591 35.453 > 17 51 Cl 0.41317150561928 0.44487225564017 0.78628842753591 35.453 > 17 52 Cl 0.41317150561928 0.94487225564017 0.78628842753591 35.453 > 17 53 Cl 0.08682849438072 0.19487225564017 0.46371157246409 35.453 > 21 54 Cl 0.08682849438072 0.69487225564017 0.46371157246409 35.453 > 21 55 Cl 0.08682849438072 0.19487225564017 0.96371157246409 35.453 > 21 56 Cl 0.08682849438072 0.69487225564017 0.96371157246409 35.453 > 21 57 Cl 0.08682849438072 0.30512774435983 0.21371157246409 35.453 > 25 58 Cl 0.08682849438072 0.80512774435983 0.21371157246409 35.453 > 25 59 Cl 0.08682849438072 0.30512774435983 0.71371157246409 35.453 > 25 60 Cl 0.08682849438072 0.80512774435983 0.71371157246409 35.453 > 25 61 Cl 0.41317150561928 0.05512774435983 0.03628842753591 35.453 > 29 62 Cl 0.41317150561928 0.55512774435983 0.03628842753591 35.453 > 29 63 Cl 0.41317150561928 0.05512774435983 0.53628842753591 35.453 > 29 64 Cl 0.41317150561928 0.55512774435983 0.53628842753591 35.453 > 29 65 Cl 0.27857205351822 0.21039431177886 0.33945728948470 35.453 > 33 66 Cl 0.27857205351822 0.71039431177886 0.33945728948470 35.453 > 33 67 Cl 0.27857205351822 0.21039431177886 0.83945728948470 35.453 > 33 68 Cl 0.27857205351822 0.71039431177886 0.83945728948470 35.453 > 33 69 Cl 0.22142794648178 0.46039431177886 0.41054271051530 35.453 > 37 70 Cl 0.22142794648178 0.96039431177886 0.41054271051530 35.453 > 37 71 Cl 0.22142794648178 0.46039431177886 0.91054271051530 35.453 > 37 72 Cl 0.22142794648178 0.96039431177886 0.91054271051530 35.453 > 37 73 Cl 0.22142794648178 0.03960568822114 0.16054271051530 35.453 > 41 74 Cl 0.22142794648178 0.53960568822114 0.16054271051530 35.453 > 41 75 Cl 0.22142794648178 0.03960568822114 0.66054271051530 35.453 > 41 76 Cl 0.22142794648178 0.53960568822114 0.66054271051530 35.453 > 41 77 Cl 0.27857205351822 0.28960568822114 0.08945728948470 35.453 > 45 78 Cl 0.27857205351822 0.78960568822114 0.08945728948470 35.453 > 45 79 Cl 0.27857205351822 0.28960568822114 0.58945728948470 35.453 > 45 80 Cl 0.27857205351822 0.78960568822114 0.58945728948470 35.453 > 45 81 Sm 0.89320343744566 0.39571416743772 0.21074010940484 150.360 > 81 82 Sm 0.89320343744566 0.89571416743772 0.21074010940484 150.360 > 81 83 Sm 0.89320343744566 0.39571416743772 0.71074010940484 150.360 > 81 84 Sm 0.89320343744566 0.89571416743772 0.71074010940484 150.360 > 81 85 Sm 0.60679656255434 0.14571416743772 0.03925989059516 150.360 > 85 86 Sm 0.60679656255434 0.64571416743772 0.03925989059516 150.360 > 85 87 Sm 0.60679656255434 0.14571416743772 0.53925989059516 150.360 > 85 88 Sm 0.60679656255434 0.64571416743772 0.53925989059516 150.360 > 85 89 Sm 0.60679656255434 0.35428583256228 0.28925989059516 150.360 > 89 90 Sm 0.60679656255434 0.85428583256228 0.28925989059516 150.360 > 89 91 Sm 0.60679656255434 0.35428583256228 0.78925989059516 150.360 > 89 92 Sm 0.60679656255434 0.85428583256228 0.78925989059516 150.360 > 89 93 Sm 0.89320343744566 0.10428583256228 0.46074010940484 150.360 > 93 94 Sm 0.89320343744566 0.60428583256228 0.46074010940484 150.360 > 93 95 Sm 0.89320343744566 0.10428583256228 0.96074010940484 150.360 > 93 96 Sm 0.89320343744566 0.60428583256228 0.96074010940484 150.360 > 93 97 Sm 0.39320343744566 0.14571416743772 0.21074010940484 150.360 > 81 98 Sm 0.39320343744566 0.64571416743772 0.21074010940484 150.360 > 81 99 Sm 0.39320343744566 0.14571416743772 0.71074010940484 150.360 > 81 100 Sm 0.39320343744566 0.64571416743772 0.71074010940484 150.360 > 81 101 Sm 0.10679656255434 0.39571416743772 0.03925989059516 150.360 > 85 102 Sm 0.10679656255434 0.89571416743772 0.03925989059516 150.360 > 85 103 Sm 0.10679656255434 0.39571416743772 0.53925989059516 150.360 > 85 104 Sm 0.10679656255434 0.89571416743772 0.53925989059516 150.360 > 85 105 Sm 0.10679656255434 0.10428583256228 0.28925989059516 150.360 > 89 106 Sm 0.10679656255434 0.60428583256228 0.28925989059516 150.360 > 89 107 Sm 0.10679656255434 0.10428583256228 0.78925989059516 150.360 > 89 108 Sm 0.10679656255434 0.60428583256228 0.78925989059516 150.360 > 89 109 Sm 0.39320343744566 0.35428583256228 0.46074010940484 150.360 > 93 110 Sm 0.39320343744566 0.85428583256228 0.46074010940484 150.360 > 93 111 Sm 0.39320343744566 0.35428583256228 0.96074010940484 150.360 > 93 112 Sm 0.39320343744566 0.85428583256228 0.96074010940484 150.360 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7131113 0.0000000 -0.0143056 0.0000000 4.6286342 0.0000000 -0.0143056 0.0000000 4.9648023 -------------------------- Born effective charges -------------------------- 1 S -1.8966840 0.0000000 -0.2027752 0.0000000 -1.8356236 0.0000000 -0.2762939 0.0000000 -2.9582374 2 S -1.8966840 0.0000000 -0.2027752 0.0000000 -1.8356236 0.0000000 -0.2762939 0.0000000 -2.9582374 3 Cl -0.9620762 0.1562485 0.1777615 0.0962765 -1.8505027 0.6758535 0.2703131 0.7503651 -1.5165098 4 Cl -0.9620762 -0.1562485 0.1777615 -0.0962765 -1.8505027 -0.6758535 0.2703131 -0.7503651 -1.5165098 5 Cl -0.9620762 0.1562485 0.1777615 0.0962765 -1.8505027 0.6758535 0.2703131 0.7503651 -1.5165098 6 Cl -0.9620762 -0.1562485 0.1777615 -0.0962765 -1.8505027 -0.6758535 0.2703131 -0.7503651 -1.5165098 7 Cl -1.9319074 -0.4601043 -0.0305016 -0.4662355 -1.0970441 -0.5429200 -0.0847381 -0.5805001 -1.2160423 8 Cl -1.9319074 0.4601043 -0.0305016 0.4662355 -1.0970441 0.5429200 -0.0847381 0.5805001 -1.2160423 9 Cl -1.9319074 -0.4601043 -0.0305016 -0.4662355 -1.0970441 -0.5429200 -0.0847381 -0.5805001 -1.2160423 10 Cl -1.9319074 0.4601043 -0.0305016 0.4662355 -1.0970441 0.5429200 -0.0847381 0.5805001 -1.2160423 11 Sm 3.8423255 0.2507521 -0.0458723 0.1906117 3.8653586 0.1880423 -0.0474280 -0.1506579 4.2116708 12 Sm 3.8423255 -0.2507521 -0.0458723 -0.1906117 3.8653586 -0.1880423 -0.0474280 0.1506579 4.2116708 13 Sm 3.8423255 0.2507521 -0.0458723 0.1906117 3.8653586 0.1880423 -0.0474280 -0.1506579 4.2116708 14 Sm 3.8423255 -0.2507521 -0.0458723 -0.1906117 3.8653586 -0.1880423 -0.0474280 0.1506579 4.2116708 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 7 ] 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: 0.60, Number of G-points: 285, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 3.002 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.747 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.656 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 7.342 ( 0.000 0.000 0.000) 0.000 7.399 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 8.270 ( 0.000 0.000 0.000) 0.000 8.391 ( 0.000 0.000 0.000) 0.000 9.116 ( 0.000 0.000 0.000) 0.000 9.229 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 9.818 -18.619 -1.439) 21.098 0.497 ( 6.199 -25.792 -9.690) 28.241 0.756 ( 16.987 -34.208 9.255) 39.299 1.874 ( -2.357 1.437 0.707) 2.850 2.172 ( -3.376 -1.111 -0.427) 3.580 2.323 ( -1.494 -0.980 -1.671) 2.446 2.344 ( 1.309 0.724 1.089) 1.850 2.459 ( 6.123 -0.058 2.156) 6.491 2.551 ( -2.614 -5.395 1.555) 6.193 2.830 ( -6.875 2.016 4.547) 8.486 2.897 ( 1.521 3.253 -3.232) 4.831 3.030 ( -4.581 -3.683 2.843) 6.530 3.176 ( 7.366 8.960 0.452) 11.608 3.369 ( -1.655 4.608 2.065) 5.314 3.500 ( 0.576 -1.797 -1.874) 2.659 3.519 ( 2.272 -2.052 -5.394) 6.202 4.085 ( -1.048 3.580 -1.830) 4.155 4.177 ( -5.898 -2.410 0.736) 6.413 4.255 ( 3.086 3.639 -1.291) 4.943 4.361 ( 0.695 -0.931 0.091) 1.165 4.381 ( 2.338 -0.216 -1.136) 2.608 4.561 ( 0.112 -0.107 -0.667) 0.685 4.931 ( -2.661 -0.542 -0.317) 2.734 5.036 ( -12.286 -1.140 -13.886) 18.576 5.217 ( -2.349 3.401 1.038) 4.262 5.327 ( -4.587 1.319 4.969) 6.890 5.495 ( 4.747 -0.037 2.842) 5.533 5.794 ( 0.114 -4.809 -0.391) 4.827 6.039 ( 23.160 10.327 10.555) 27.468 6.293 ( 1.535 -2.624 0.027) 3.040 6.485 ( -1.758 1.781 2.350) 3.433 6.611 ( 0.136 2.869 -3.111) 4.234 6.690 ( -0.536 -1.350 -2.558) 2.942 6.823 ( 0.964 -2.690 3.143) 4.247 7.340 ( 0.186 0.275 -0.218) 0.397 7.395 ( 1.182 0.923 -0.163) 1.508 7.881 ( 0.393 5.057 -1.288) 5.234 8.151 ( -3.957 -2.899 -3.318) 5.922 8.339 ( -3.588 3.602 -2.989) 5.898 8.543 ( -19.650 -9.683 -10.981) 24.505 9.220 ( 11.289 3.403 20.314) 23.488 9.236 ( 0.143 -0.698 0.517) 0.880 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 9.664 -17.204 -1.353) 19.779 0.965 ( 5.188 -23.657 -9.480) 26.009 1.436 ( 12.843 -27.912 7.861) 31.715 1.832 ( -1.240 0.950 -0.200) 1.575 2.148 ( -6.131 -0.170 -1.734) 6.373 2.316 ( -1.891 0.008 -1.329) 2.311 2.379 ( 0.230 -3.390 0.992) 3.540 2.451 ( 2.440 6.100 1.774) 6.805 2.629 ( -5.880 -7.022 5.403) 10.633 2.798 ( 0.754 -0.208 -1.066) 1.322 2.834 ( -0.575 2.474 -1.327) 2.866 3.048 ( 3.500 2.473 2.271) 4.850 3.093 ( -0.837 1.347 2.793) 3.212 3.263 ( -0.785 6.516 2.738) 7.111 3.536 ( 0.931 -2.160 -4.949) 5.480 3.559 ( 1.609 -1.128 -3.062) 3.638 4.007 ( 0.900 4.912 -2.285) 5.492 4.144 ( -5.170 1.539 -1.092) 5.504 4.225 ( -0.615 0.997 2.202) 2.494 4.350 ( -2.309 1.067 1.145) 2.789 4.395 ( 2.499 0.834 -2.357) 3.535 4.582 ( 0.911 -1.581 -0.776) 1.983 4.897 ( -11.025 -0.091 -4.236) 11.811 4.944 ( 2.369 4.359 -2.672) 5.635 5.135 ( -3.134 3.085 -0.288) 4.407 5.274 ( 1.838 4.272 3.598) 5.880 5.513 ( 1.989 1.184 3.906) 4.540 5.891 ( 2.576 -4.707 -0.507) 5.390 6.055 ( 11.299 3.152 2.883) 12.080 6.359 ( 0.397 -3.085 0.372) 3.132 6.435 ( -2.293 1.645 0.548) 2.874 6.563 ( -0.266 2.340 -1.072) 2.588 6.701 ( -0.113 -0.408 -0.933) 1.024 6.897 ( -0.967 -5.598 1.099) 5.787 7.335 ( 0.421 0.609 1.381) 1.567 7.387 ( 1.947 1.280 -0.621) 2.412 7.765 ( 1.096 8.419 -1.671) 8.653 8.164 ( -1.901 -0.448 -3.237) 3.780 8.236 ( -4.178 3.173 -1.483) 5.452 8.552 ( -8.690 -4.124 -3.020) 10.082 9.253 ( 0.363 -1.004 0.277) 1.103 9.272 ( 5.142 -0.238 8.901) 10.282 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 8.676 -14.288 -1.236) 16.761 1.367 ( 3.421 -19.143 -8.816) 21.351 1.728 ( -1.552 -1.051 0.840) 2.054 1.932 ( 3.925 -4.372 4.850) 7.619 2.125 ( -3.929 -2.780 -4.845) 6.829 2.257 ( -1.067 5.227 1.918) 5.669 2.385 ( 0.238 -2.781 -0.064) 2.792 2.450 ( 0.495 -4.082 2.710) 4.925 2.728 ( -3.199 -6.260 7.050) 9.956 2.767 ( -3.121 -0.121 -3.582) 4.752 2.860 ( 2.365 -2.438 0.406) 3.420 3.020 ( 7.970 4.530 0.210) 9.170 3.102 ( -4.126 -2.015 2.678) 5.316 3.147 ( 0.467 6.309 3.667) 7.313 3.569 ( 2.265 0.479 -3.033) 3.816 3.593 ( 1.846 -2.887 -1.848) 3.893 3.928 ( -0.778 3.848 -2.763) 4.801 4.050 ( -4.460 4.197 -0.601) 6.154 4.188 ( -1.549 3.209 2.186) 4.181 4.336 ( -1.441 -1.663 -1.324) 2.568 4.384 ( 1.893 1.658 -1.125) 2.756 4.610 ( 0.110 -1.133 -0.822) 1.404 4.781 ( -5.298 4.304 -4.184) 8.006 4.916 ( -0.754 0.328 0.147) 0.836 5.072 ( -1.879 1.851 -0.569) 2.698 5.211 ( 2.496 5.002 3.008) 6.348 5.498 ( -0.144 1.365 3.030) 3.326 5.987 ( 3.942 -3.311 -0.444) 5.167 6.099 ( 7.897 0.380 0.251) 7.910 6.341 ( -5.081 2.004 0.719) 5.509 6.454 ( 1.038 -2.791 0.578) 3.033 6.526 ( -0.395 1.352 -0.012) 1.409 6.698 ( 0.499 0.852 -0.295) 1.031 7.011 ( -2.521 -8.842 -0.595) 9.214 7.328 ( 0.754 0.859 2.313) 2.580 7.378 ( 1.686 1.265 -1.080) 2.369 7.612 ( 2.035 9.786 -1.432) 10.097 8.094 ( -3.922 3.395 -3.784) 6.421 8.215 ( -0.958 -1.179 0.445) 1.583 8.552 ( -4.529 -1.819 -0.800) 4.946 9.273 ( 0.209 -0.929 0.215) 0.976 9.316 ( 2.812 -0.427 4.374) 5.218 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 4.314 -6.760 -0.703) 8.050 1.649 ( 4.245 -10.119 -4.810) 11.981 1.719 ( -4.871 -2.597 -2.850) 6.212 1.884 ( 0.148 9.430 5.885) 11.117 2.058 ( -0.514 1.407 -0.510) 1.583 2.218 ( -2.524 1.093 -0.751) 2.851 2.480 ( 1.649 -2.272 0.319) 2.825 2.550 ( -1.199 -5.853 1.535) 6.169 2.705 ( -0.630 2.252 -3.459) 4.175 2.846 ( -1.274 -4.475 4.366) 6.380 2.946 ( 0.349 -5.734 -0.321) 5.754 3.019 ( 5.660 1.285 0.906) 5.875 3.043 ( 3.134 6.407 2.649) 7.608 3.110 ( -4.504 -1.345 0.312) 4.711 3.571 ( 1.006 -0.040 -0.650) 1.199 3.651 ( 3.465 -0.614 0.397) 3.542 3.835 ( -4.810 3.188 -3.224) 6.610 3.990 ( 0.137 0.111 -0.086) 0.196 4.112 ( -1.432 3.260 0.886) 3.669 4.362 ( -0.169 -1.346 -1.025) 1.701 4.373 ( 0.804 0.628 0.153) 1.032 4.623 ( -0.333 -0.738 -0.808) 1.144 4.687 ( -1.481 2.680 -1.139) 3.267 4.913 ( -0.874 -0.453 -0.107) 0.990 5.040 ( -0.617 0.642 -0.305) 0.941 5.156 ( 1.106 2.532 1.415) 3.104 5.480 ( -0.297 0.550 1.090) 1.257 6.052 ( 1.860 -1.297 -0.118) 2.271 6.158 ( 6.246 -1.020 -0.731) 6.371 6.261 ( -5.589 2.106 0.893) 6.039 6.496 ( -0.260 -1.010 0.839) 1.339 6.513 ( 0.326 -0.091 -0.359) 0.494 6.684 ( 0.305 0.760 -0.181) 0.838 7.154 ( -2.082 -8.331 -0.772) 8.622 7.319 ( 0.475 1.363 3.167) 3.480 7.351 ( 0.765 2.882 -2.245) 3.733 7.481 ( 1.772 5.063 -0.540) 5.392 8.025 ( -1.836 1.336 -1.412) 2.674 8.228 ( -0.185 -0.544 0.155) 0.595 8.549 ( -1.467 -0.491 -0.125) 1.552 9.286 ( 0.070 -0.385 0.077) 0.399 9.337 ( 0.931 -0.112 1.357) 1.649 ======================= Grid point 10 (6/160) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 20.374 0.000 9.066) 22.300 0.342 ( 23.898 0.000 -8.702) 25.433 0.634 ( 41.305 0.000 6.017) 41.741 1.837 ( -7.493 -0.000 -0.155) 7.495 2.143 ( -3.909 -0.000 0.262) 3.917 2.301 ( -0.399 -0.000 -2.287) 2.322 2.441 ( -5.516 -0.000 -1.094) 5.623 2.510 ( -3.162 -0.000 13.380) 13.748 2.514 ( 7.861 0.000 1.239) 7.958 2.709 ( -0.844 -0.000 3.587) 3.685 2.921 ( 2.212 0.000 -0.524) 2.273 2.989 ( -1.621 -0.000 3.216) 3.602 3.382 ( -1.246 -0.000 5.548) 5.686 3.389 ( -8.875 -0.000 6.498) 11.000 3.439 ( 0.188 0.000 -11.076) 11.077 3.512 ( 2.131 0.000 -8.756) 9.012 4.025 ( -3.356 -0.000 -1.187) 3.560 4.103 ( -4.737 -0.000 -1.289) 4.910 4.347 ( -1.568 -0.000 -4.686) 4.942 4.357 ( 1.605 0.000 0.449) 1.667 4.464 ( 1.583 0.000 -19.104) 19.170 4.510 ( -4.799 -0.000 0.034) 4.799 4.750 ( 5.491 0.000 0.556) 5.519 4.978 ( 5.866 0.000 -5.314) 7.915 5.211 ( -5.910 -0.000 -4.158) 7.226 5.323 ( 1.755 0.000 8.646) 8.822 5.551 ( 8.896 0.000 3.064) 9.409 5.735 ( -1.463 -0.000 -0.387) 1.513 6.266 ( 0.220 0.000 2.324) 2.335 6.418 ( -2.353 -0.000 0.442) 2.394 6.587 ( -4.819 -0.000 14.848) 15.611 6.658 ( 0.340 0.000 0.089) 0.351 6.797 ( -1.106 -0.000 -0.192) 1.123 6.804 ( 0.035 0.000 10.444) 10.444 7.338 ( 2.069 0.000 -13.604) 13.761 7.429 ( 3.510 0.000 1.245) 3.725 7.743 ( 1.745 0.000 -15.900) 15.996 7.930 ( 0.550 0.000 -1.290) 1.402 8.246 ( -2.071 -0.000 -5.500) 5.877 8.395 ( -0.364 -0.000 4.016) 4.033 9.231 ( 0.216 0.000 0.620) 0.657 9.409 ( -4.060 -0.000 33.987) 34.229 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 15.222 -13.366 0.931) 20.278 0.678 ( 18.162 -15.459 -8.437) 25.299 1.151 ( 30.170 -20.683 8.444) 37.541 1.795 ( -7.518 -1.737 -1.508) 7.862 2.102 ( -5.667 0.623 0.082) 5.702 2.315 ( 1.583 -0.510 -1.247) 2.078 2.354 ( -1.345 2.355 -0.202) 2.719 2.477 ( -7.628 -2.972 4.437) 9.312 2.550 ( 3.334 1.925 3.202) 5.007 2.785 ( 0.747 -2.999 3.019) 4.321 2.897 ( -0.467 4.128 -2.443) 4.819 2.995 ( -1.579 -2.248 5.716) 6.342 3.217 ( -2.716 6.347 3.996) 7.977 3.356 ( -0.027 3.977 2.673) 4.792 3.498 ( -0.957 -4.637 -7.486) 8.858 3.522 ( 0.850 -0.638 -7.764) 7.837 4.035 ( -5.416 0.009 -4.118) 6.804 4.079 ( -7.128 -3.639 0.170) 8.005 4.272 ( -0.176 4.331 -0.473) 4.361 4.356 ( -2.034 1.360 1.974) 3.144 4.424 ( 3.103 0.556 -2.636) 4.110 4.554 ( -1.074 -3.209 -3.186) 4.648 4.800 ( -4.059 -0.834 -0.658) 4.196 5.018 ( 4.941 1.318 -5.211) 7.301 5.145 ( -4.808 1.946 -3.443) 6.226 5.343 ( 2.850 1.112 5.091) 5.939 5.576 ( 4.331 3.144 3.389) 6.335 5.804 ( 1.802 -6.641 -0.969) 6.949 6.257 ( 2.807 4.066 6.432) 8.111 6.363 ( 2.572 3.145 0.534) 4.098 6.484 ( 3.835 8.501 8.292) 12.480 6.591 ( -1.616 2.674 -7.797) 8.400 6.677 ( 0.101 -0.803 -1.544) 1.743 6.848 ( 0.561 -0.871 5.012) 5.118 7.342 ( 0.375 0.020 -1.794) 1.832 7.434 ( 3.868 1.543 1.006) 4.284 7.886 ( 0.790 4.393 -3.830) 5.881 8.020 ( -9.602 -14.845 -5.869) 18.628 8.220 ( -5.441 0.940 -7.765) 9.529 8.411 ( -2.206 -2.986 3.664) 5.216 9.240 ( 0.292 -0.692 0.706) 1.031 9.360 ( 3.037 3.936 16.032) 16.785 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 11.532 -14.878 -0.542) 18.832 1.074 ( 11.860 -17.114 -9.533) 22.901 1.660 ( 10.127 -10.998 6.631) 16.355 1.823 ( 3.838 -8.777 -2.014) 9.789 2.042 ( -7.097 0.009 -1.410) 7.236 2.298 ( -0.710 1.059 -1.726) 2.146 2.372 ( -2.978 -2.135 -1.486) 3.954 2.442 ( -2.266 2.962 6.060) 7.116 2.570 ( -3.356 -6.235 6.229) 9.431 2.778 ( -2.183 3.924 -3.025) 5.414 2.857 ( 3.551 -0.742 0.030) 3.628 3.048 ( -1.113 -2.956 5.794) 6.599 3.135 ( 0.847 3.141 5.072) 6.026 3.277 ( 2.369 6.127 2.606) 7.067 3.546 ( 1.563 -2.543 -5.568) 6.318 3.548 ( -1.242 -2.686 -7.243) 7.824 3.967 ( -6.113 2.202 -4.338) 7.812 4.065 ( -5.508 0.327 -0.674) 5.558 4.217 ( -0.781 2.194 4.273) 4.866 4.310 ( -2.215 0.866 -0.447) 2.420 4.432 ( 2.833 1.141 -2.977) 4.265 4.596 ( 0.923 -1.518 -1.312) 2.209 4.751 ( -6.168 1.048 -0.997) 6.335 4.980 ( 1.703 4.770 -1.681) 5.336 5.085 ( -1.444 1.671 -3.583) 4.209 5.326 ( 3.324 4.102 4.387) 6.864 5.542 ( 1.036 2.957 3.699) 4.848 5.935 ( 3.184 -5.506 -1.257) 6.484 6.213 ( 7.656 4.738 3.757) 9.756 6.335 ( -4.273 1.266 0.605) 4.497 6.438 ( 2.996 0.668 0.012) 3.069 6.549 ( -0.862 1.321 -0.410) 1.630 6.699 ( 0.323 -1.274 -1.016) 1.661 6.876 ( -2.313 -3.494 1.037) 4.317 7.342 ( 0.237 0.200 0.138) 0.340 7.432 ( 3.789 2.225 0.843) 4.474 7.781 ( 1.519 7.869 -2.616) 8.430 8.124 ( -2.576 2.730 -4.515) 5.872 8.134 ( -7.093 -5.287 -3.250) 9.425 8.459 ( -3.704 -4.153 1.537) 5.773 9.258 ( 0.277 -0.964 0.548) 1.143 9.355 ( 3.299 1.404 7.948) 8.720 ======================= Grid point 13 (9/160) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 8.915 -11.829 -0.815) 14.835 1.402 ( 3.788 -14.134 -9.594) 17.497 1.717 ( -0.652 0.376 0.210) 0.781 1.970 ( -0.251 -0.088 4.760) 4.767 2.050 ( -4.716 -0.744 -4.208) 6.365 2.242 ( -0.900 2.653 0.829) 2.921 2.378 ( -1.716 -6.777 -1.323) 7.115 2.488 ( 3.327 -3.764 3.741) 6.264 2.689 ( -5.001 -3.323 1.060) 6.097 2.733 ( 2.529 -4.303 3.238) 5.949 2.898 ( 2.413 -1.431 -1.568) 3.213 3.056 ( -0.883 1.303 5.051) 5.290 3.122 ( 1.739 1.296 3.857) 4.425 3.198 ( 6.272 5.894 3.410) 9.258 3.554 ( -3.003 -0.989 -5.026) 5.938 3.632 ( 3.722 -4.267 -3.051) 6.432 3.851 ( -8.108 4.208 -4.249) 10.075 4.007 ( -2.693 1.532 -0.264) 3.109 4.157 ( -2.249 3.933 4.699) 6.528 4.323 ( 0.307 -2.716 -2.717) 3.854 4.421 ( 3.312 2.401 -1.698) 4.429 4.610 ( 0.065 0.129 -0.935) 0.946 4.693 ( -4.881 0.418 -1.731) 5.195 4.912 ( -1.282 2.192 0.194) 2.547 5.051 ( 0.741 1.603 -3.518) 3.936 5.264 ( 2.906 5.802 5.024) 8.207 5.506 ( 0.672 2.058 2.314) 3.169 6.027 ( 1.478 -2.875 -1.504) 3.565 6.210 ( 4.911 2.118 0.985) 5.438 6.265 ( -3.791 2.163 0.657) 4.414 6.466 ( 0.041 -1.892 0.038) 1.893 6.529 ( 1.277 1.138 1.663) 2.386 6.704 ( 0.395 1.077 -1.070) 1.569 6.965 ( -3.258 -9.090 -1.022) 9.710 7.338 ( 0.257 0.463 0.626) 0.820 7.411 ( 2.246 2.909 0.691) 3.740 7.637 ( 1.597 9.379 -1.840) 9.690 8.040 ( -1.882 2.228 -2.582) 3.895 8.184 ( -2.689 -3.407 -1.431) 4.570 8.500 ( -2.437 -3.140 0.954) 4.087 9.276 ( 0.136 -0.788 0.275) 0.846 9.361 ( 2.030 1.113 3.764) 4.419 ======================= Grid point 14 (10/160) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 2.963 -0.263 -0.369) 2.998 1.605 ( -4.629 -8.430 -6.156) 11.419 1.715 ( 0.929 -3.778 -1.543) 4.186 1.883 ( -2.040 7.249 3.781) 8.426 2.038 ( -0.566 -1.751 -0.808) 2.010 2.237 ( 4.036 -0.050 2.445) 4.719 2.471 ( -1.772 -3.012 -2.973) 4.588 2.582 ( 2.970 -3.289 2.691) 5.185 2.665 ( -3.688 -1.359 -0.546) 3.968 2.854 ( 1.976 -2.966 3.547) 5.028 2.946 ( 0.237 -3.237 -2.581) 4.146 3.004 ( -2.730 4.607 2.670) 5.984 3.066 ( 0.360 6.074 1.171) 6.197 3.207 ( 9.961 1.838 2.372) 10.403 3.543 ( -4.336 -1.424 -1.937) 4.958 3.637 ( -4.557 3.544 -5.375) 7.887 3.801 ( 0.488 -4.589 1.926) 5.001 3.998 ( 0.902 -0.586 -1.064) 1.513 4.080 ( -2.865 1.873 3.306) 4.759 4.368 ( 1.118 -1.312 -1.823) 2.509 4.395 ( 1.952 2.575 -0.291) 3.244 4.615 ( -0.334 -1.446 -0.790) 1.681 4.664 ( -1.392 -0.135 0.185) 1.410 4.898 ( -1.618 -1.741 -0.217) 2.386 5.032 ( 0.998 0.808 -3.794) 4.005 5.194 ( 2.259 4.451 5.082) 7.123 5.488 ( 1.244 0.911 0.305) 1.571 6.047 ( -2.184 0.061 -1.558) 2.683 6.152 ( -5.228 2.875 1.576) 6.171 6.274 ( 5.308 -0.977 -0.519) 5.422 6.491 ( -0.473 -1.135 0.201) 1.246 6.530 ( 2.013 0.756 1.348) 2.538 6.678 ( -1.063 0.848 -1.366) 1.928 7.121 ( -1.715 -9.907 -1.033) 10.108 7.328 ( -0.041 1.122 1.216) 1.655 7.367 ( 1.361 3.516 0.017) 3.771 7.489 ( -0.347 6.895 -0.948) 6.968 8.024 ( 1.756 -0.427 0.187) 1.817 8.211 ( -1.802 -1.705 -1.298) 2.800 8.537 ( -0.270 -2.236 0.691) 2.356 9.286 ( -0.054 -0.272 -0.033) 0.279 9.351 ( 0.531 1.474 1.044) 1.883 ======================= Grid point 15 (11/160) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -4.151 11.410 0.400) 12.148 1.580 ( -4.025 5.325 0.628) 6.704 1.800 ( 3.623 4.108 4.877) 7.334 1.867 ( -0.478 -7.203 -4.608) 8.564 2.051 ( -0.659 -5.097 -0.897) 5.217 2.303 ( 6.991 0.479 3.794) 7.969 2.453 ( -1.435 3.079 -2.268) 4.084 2.557 ( -0.847 7.680 -1.526) 7.876 2.728 ( 1.185 -4.791 5.497) 7.387 2.845 ( -2.503 6.546 -9.953) 12.173 2.878 ( -3.943 -0.240 2.219) 4.530 2.962 ( -0.293 5.092 2.510) 5.685 3.022 ( -0.681 -5.587 -2.001) 5.973 3.222 ( 8.210 4.719 0.082) 9.469 3.522 ( -5.245 -1.115 0.319) 5.371 3.584 ( -3.841 -1.468 -2.035) 4.588 3.910 ( 3.422 -1.456 2.832) 4.674 3.996 ( 0.911 -3.109 0.323) 3.256 4.113 ( -0.980 -5.041 0.443) 5.154 4.367 ( 0.205 0.766 -1.456) 1.658 4.375 ( 0.750 1.277 0.873) 1.719 4.627 ( 0.118 0.372 0.395) 0.555 4.710 ( 1.083 -5.090 1.976) 5.566 4.934 ( 1.390 -1.776 1.143) 2.528 5.031 ( -0.590 -1.235 -5.740) 5.901 5.167 ( 1.423 0.589 4.049) 4.332 5.489 ( 1.090 0.087 -1.500) 1.856 6.000 ( -4.166 1.912 -0.293) 4.593 6.072 ( -4.536 2.182 0.580) 5.067 6.338 ( 4.030 -2.092 -0.491) 4.567 6.501 ( 0.755 1.311 -0.877) 1.749 6.515 ( 0.123 0.992 1.069) 1.463 6.672 ( -1.158 -1.238 -0.499) 1.768 7.179 ( 1.120 6.044 -0.056) 6.147 7.308 ( -0.114 -0.116 -2.487) 2.492 7.354 ( 0.475 -1.603 2.995) 3.430 7.444 ( -2.745 -4.908 -0.398) 5.637 8.073 ( 3.467 -2.536 2.218) 4.835 8.216 ( -1.409 -0.458 -1.518) 2.121 8.577 ( 1.828 -1.559 0.713) 2.506 9.284 ( -0.161 0.420 -0.227) 0.504 9.320 ( -0.844 1.856 -0.930) 2.241 ======================= Grid point 16 (12/160) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -3.985 16.208 0.643) 16.704 1.340 ( -1.574 19.060 3.103) 19.375 1.771 ( 4.074 6.530 2.227) 8.012 1.850 ( -5.265 8.381 -4.222) 10.761 2.187 ( 3.506 0.646 3.318) 4.871 2.247 ( -2.257 -6.360 -2.758) 7.290 2.402 ( 2.572 2.508 1.121) 3.763 2.439 ( -1.219 3.674 -1.475) 4.142 2.757 ( 1.601 3.403 -7.125) 8.057 2.795 ( 0.190 -0.322 5.299) 5.312 2.850 ( 1.728 2.220 -2.319) 3.646 2.905 ( -6.471 -2.965 2.528) 7.554 3.136 ( 0.012 -7.520 -1.028) 7.590 3.176 ( 3.951 4.895 -1.637) 6.500 3.527 ( -2.892 -2.345 1.704) 4.095 3.576 ( -0.630 1.235 0.113) 1.391 3.924 ( -0.616 -2.300 0.632) 2.463 4.118 ( 3.172 -5.245 1.335) 6.273 4.188 ( -0.688 -3.679 -1.021) 3.879 4.357 ( 0.804 0.842 0.270) 1.195 4.368 ( -0.560 -0.822 0.168) 1.009 4.610 ( -0.050 1.640 0.371) 1.682 4.831 ( 0.676 -6.957 2.120) 7.305 4.969 ( 4.904 0.509 3.249) 5.905 5.067 ( -2.041 -4.770 -5.826) 7.801 5.198 ( 0.465 -2.722 1.929) 3.368 5.491 ( -0.245 -0.043 -2.068) 2.083 5.935 ( -2.113 2.668 0.436) 3.431 6.003 ( -4.044 2.164 -0.293) 4.596 6.399 ( 2.355 -1.640 -0.215) 2.878 6.441 ( -0.409 3.591 -0.202) 3.620 6.529 ( -0.021 -1.488 0.087) 1.490 6.691 ( -0.407 -1.250 -0.011) 1.315 7.039 ( 0.944 8.959 0.163) 9.010 7.313 ( -0.466 -0.971 -1.411) 1.775 7.367 ( -0.370 -0.266 0.970) 1.072 7.590 ( -0.914 -10.455 0.514) 10.507 8.158 ( 3.172 -3.524 3.544) 5.920 8.207 ( -1.357 -0.343 -2.436) 2.810 8.619 ( 2.991 -0.973 1.113) 3.336 9.270 ( -0.259 1.328 -0.083) 1.356 9.271 ( -1.545 2.205 -2.242) 3.503 ======================= Grid point 17 (13/160) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 18.977 -0.000) 18.977 0.943 ( 0.000 24.989 -0.000) 24.989 1.321 ( 0.000 34.070 -0.000) 34.070 1.840 ( -0.000 -2.638 0.000) 2.638 2.205 ( -0.000 -0.087 0.000) 0.087 2.358 ( 0.000 0.241 -0.000) 0.241 2.359 ( 0.000 1.811 -0.000) 1.811 2.410 ( -0.000 -2.445 0.000) 2.445 2.676 ( 0.000 6.749 -0.000) 6.749 2.802 ( -0.000 -2.257 0.000) 2.257 2.833 ( -0.000 -0.925 0.000) 0.925 2.994 ( -0.000 -8.085 0.000) 8.085 3.118 ( 0.000 3.425 -0.000) 3.425 3.269 ( -0.000 -7.136 0.000) 7.136 3.535 ( 0.000 2.594 -0.000) 2.594 3.540 ( 0.000 0.243 -0.000) 0.243 3.996 ( -0.000 -5.487 0.000) 5.487 4.194 ( -0.000 -1.922 0.000) 1.922 4.223 ( -0.000 -1.027 0.000) 1.027 4.364 ( -0.000 -0.642 0.000) 0.642 4.377 ( -0.000 -0.276 0.000) 0.276 4.576 ( 0.000 1.801 -0.000) 1.801 4.923 ( -0.000 -2.202 0.000) 2.202 5.023 ( -0.000 -4.493 0.000) 4.493 5.146 ( -0.000 -4.960 0.000) 4.960 5.268 ( -0.000 -4.904 0.000) 4.904 5.483 ( 0.000 0.554 -0.000) 0.554 5.871 ( 0.000 3.964 -0.000) 3.964 5.945 ( 0.000 1.986 -0.000) 1.986 6.354 ( 0.000 4.331 -0.000) 4.331 6.458 ( -0.000 -2.313 0.000) 2.313 6.564 ( -0.000 -2.462 0.000) 2.462 6.703 ( -0.000 -0.154 0.000) 0.154 6.903 ( 0.000 6.566 -0.000) 6.566 7.329 ( -0.000 -0.908 0.000) 0.908 7.375 ( -0.000 -0.833 0.000) 0.833 7.758 ( -0.000 -8.654 0.000) 8.654 8.184 ( 0.000 0.932 -0.000) 0.932 8.264 ( -0.000 -5.354 0.000) 5.354 8.650 ( -0.000 -0.624 0.000) 0.624 9.205 ( 0.000 3.560 -0.000) 3.560 9.251 ( 0.000 1.058 -0.000) 1.058 ======================= Grid point 20 (14/160) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 19.069 0.000 9.076) 21.118 0.670 ( 22.184 0.000 -7.524) 23.425 1.244 ( 38.865 0.000 4.651) 39.142 1.700 ( -9.753 -0.000 -2.937) 10.186 2.067 ( -6.029 -0.000 0.981) 6.108 2.321 ( 3.189 0.000 -1.253) 3.426 2.326 ( -9.712 -0.000 0.183) 9.714 2.472 ( -3.919 -0.000 5.220) 6.527 2.586 ( 0.516 0.000 3.726) 3.762 2.739 ( 4.133 0.000 2.444) 4.802 2.952 ( 1.688 0.000 -0.878) 1.902 2.981 ( -0.663 -0.000 4.225) 4.277 3.252 ( -10.717 -0.000 6.652) 12.614 3.344 ( -4.512 -0.000 -0.092) 4.513 3.422 ( -0.542 -0.000 -6.009) 6.033 3.520 ( 1.981 0.000 -10.310) 10.498 3.948 ( -6.668 -0.000 -1.419) 6.817 4.000 ( -8.080 -0.000 -2.072) 8.341 4.308 ( -2.190 -0.000 -3.507) 4.134 4.360 ( -1.572 -0.000 2.292) 2.779 4.452 ( -0.233 -0.000 -2.461) 2.472 4.480 ( 1.507 0.000 -1.682) 2.258 4.833 ( 5.077 0.000 1.166) 5.209 5.066 ( 6.913 0.000 -5.582) 8.885 5.124 ( -4.687 -0.000 -3.224) 5.689 5.381 ( 3.962 0.000 3.958) 5.601 5.694 ( 9.393 0.000 1.643) 9.536 5.705 ( -2.200 -0.000 -0.725) 2.317 6.279 ( 0.718 0.000 4.241) 4.301 6.359 ( -5.718 -0.000 0.276) 5.725 6.538 ( -3.264 -0.000 -2.470) 4.093 6.664 ( 0.150 0.000 0.284) 0.321 6.792 ( 0.852 0.000 0.416) 0.948 6.826 ( -0.221 -0.000 11.473) 11.475 7.341 ( 1.034 0.000 -5.760) 5.852 7.495 ( 4.437 0.000 1.529) 4.693 7.734 ( 0.102 0.000 -5.886) 5.887 7.937 ( 0.815 0.000 -1.815) 1.989 8.199 ( -2.219 -0.000 -6.746) 7.101 8.390 ( -1.510 -0.000 4.490) 4.737 9.237 ( 0.310 0.000 0.923) 0.974 9.421 ( -1.057 -0.000 14.642) 14.680 ======================= Grid point 21 (15/160) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 16.392 -7.769 1.874) 18.237 0.942 ( 18.033 -10.840 -3.320) 21.300 1.604 ( 18.509 -6.572 3.096) 19.884 1.684 ( 2.563 -7.923 -3.948) 9.215 2.013 ( -5.731 1.278 1.142) 5.982 2.274 ( -9.568 -2.567 0.583) 9.924 2.345 ( 1.031 3.286 -2.097) 4.032 2.411 ( 0.628 -1.843 4.992) 5.359 2.556 ( -3.320 3.056 5.452) 7.077 2.835 ( 3.624 -1.971 0.170) 4.129 2.878 ( -0.753 4.411 -2.222) 4.996 2.995 ( -0.623 -1.891 5.266) 5.630 3.152 ( -6.081 1.174 6.634) 9.076 3.357 ( -1.693 0.513 3.776) 4.170 3.443 ( -3.185 -5.247 -9.254) 11.105 3.532 ( 2.696 -0.635 -9.277) 9.681 3.908 ( -9.761 -1.019 -4.898) 10.968 3.968 ( -7.764 -3.315 1.221) 8.530 4.263 ( -0.669 2.307 -0.024) 2.402 4.331 ( -1.012 2.179 1.848) 3.031 4.449 ( 0.654 -0.121 -1.616) 1.747 4.536 ( 0.323 -3.737 -2.093) 4.295 4.815 ( 3.381 5.338 1.479) 6.489 5.055 ( -2.445 3.417 -2.264) 4.773 5.107 ( 3.665 0.732 -4.274) 5.678 5.403 ( 3.711 1.548 2.470) 4.719 5.622 ( 1.124 4.426 2.310) 5.117 5.852 ( 4.944 -6.470 -1.189) 8.229 6.290 ( 1.011 0.229 4.680) 4.793 6.312 ( -6.103 0.172 0.638) 6.139 6.529 ( -3.098 -1.017 -5.850) 6.697 6.593 ( 4.635 9.091 2.949) 10.622 6.698 ( 2.758 2.479 2.433) 4.435 6.853 ( -0.978 0.521 3.401) 3.577 7.344 ( 0.363 -0.011 -1.875) 1.910 7.502 ( 4.336 1.971 1.216) 4.915 7.870 ( -2.602 -5.233 -6.510) 8.749 7.923 ( -1.738 -3.438 0.229) 3.859 8.154 ( -2.234 2.554 -5.697) 6.631 8.392 ( -1.782 -1.498 3.659) 4.337 9.246 ( 0.275 -0.657 0.808) 1.077 9.412 ( 0.997 1.593 9.067) 9.260 ======================= Grid point 22 (16/160) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 11.051 -11.444 -1.082) 15.946 1.250 ( 12.495 -10.458 -3.158) 16.597 1.668 ( -4.346 -4.451 -3.216) 7.003 1.942 ( -5.513 -0.268 -1.202) 5.649 1.989 ( 12.167 -6.063 1.320) 13.658 2.253 ( -8.443 -1.878 -0.266) 8.654 2.279 ( -2.501 0.943 -1.101) 2.891 2.450 ( -4.632 1.349 4.260) 6.436 2.578 ( 7.791 -8.671 5.731) 12.990 2.762 ( 0.780 3.915 -0.973) 4.109 2.913 ( 3.620 -0.132 -0.219) 3.629 3.045 ( -1.632 -2.735 4.829) 5.785 3.132 ( -1.773 -1.015 5.505) 5.872 3.322 ( 1.664 3.203 3.860) 5.284 3.486 ( -3.757 -2.980 -7.791) 9.148 3.577 ( 3.220 -3.336 -5.288) 7.033 3.842 ( -7.729 1.169 -6.454) 10.137 3.953 ( -9.018 -1.962 1.827) 9.408 4.231 ( 1.189 2.731 4.577) 5.461 4.291 ( -0.331 0.654 -2.335) 2.447 4.458 ( 1.269 -0.406 -2.042) 2.438 4.591 ( -0.817 -2.899 -1.578) 3.400 4.722 ( 1.172 6.826 1.141) 7.019 4.958 ( -3.376 4.356 -0.880) 5.580 5.101 ( 3.387 2.396 -3.116) 5.189 5.379 ( 2.620 4.203 2.285) 5.454 5.565 ( 1.169 3.347 3.237) 4.800 5.977 ( 3.037 -4.195 -2.003) 5.553 6.253 ( -6.241 1.506 1.043) 6.504 6.299 ( 3.531 1.392 3.452) 5.131 6.455 ( -1.401 2.178 -4.545) 5.231 6.582 ( 5.204 1.841 4.481) 7.110 6.711 ( 1.328 -1.394 -0.405) 1.968 6.831 ( -3.748 -1.518 -0.422) 4.066 7.344 ( 0.125 0.087 -0.370) 0.400 7.488 ( 2.958 3.200 0.966) 4.463 7.795 ( 0.924 7.300 -2.524) 7.779 8.031 ( -4.389 -5.476 -2.757) 7.540 8.093 ( -1.345 0.260 -2.495) 2.846 8.425 ( -1.779 -3.255 2.154) 4.289 9.263 ( 0.162 -0.882 0.516) 1.035 9.404 ( 1.649 1.415 4.863) 5.326 ======================= Grid point 23 (17/160) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 5.224 -10.817 -2.770) 12.327 1.453 ( 5.918 -5.031 -1.582) 7.927 1.683 ( -4.457 -0.252 -2.995) 5.376 1.952 ( -3.127 -4.003 -2.256) 5.557 1.989 ( -1.102 5.553 3.586) 6.701 2.253 ( 2.258 -1.207 0.642) 2.639 2.336 ( -3.038 -8.801 -0.560) 9.328 2.467 ( -6.224 -6.153 -1.086) 8.819 2.696 ( 3.623 3.492 2.494) 5.616 2.820 ( 7.801 -6.421 3.383) 10.655 2.924 ( 1.544 0.568 -1.050) 1.952 3.062 ( -0.176 0.578 4.571) 4.611 3.140 ( 0.417 1.400 2.036) 2.506 3.303 ( 5.127 1.544 5.147) 7.427 3.477 ( -4.490 -0.878 -6.577) 8.011 3.678 ( 1.935 -5.469 -0.993) 5.886 3.710 ( -7.492 6.020 -4.979) 10.824 3.942 ( -5.102 -3.532 0.229) 6.209 4.161 ( 0.835 6.068 3.522) 7.066 4.326 ( 0.509 -3.634 -2.216) 4.287 4.471 ( 3.496 1.735 -0.959) 4.019 4.609 ( 0.097 1.968 -0.494) 2.031 4.635 ( -2.602 -0.453 -0.808) 2.763 4.874 ( -3.024 1.760 -0.051) 3.499 5.076 ( 2.443 2.489 -2.098) 4.070 5.307 ( 1.602 5.679 2.995) 6.617 5.530 ( 1.761 2.252 1.793) 3.375 6.028 ( -0.468 -0.619 -2.332) 2.457 6.173 ( -4.441 2.896 1.574) 5.531 6.304 ( 3.461 0.796 0.246) 3.560 6.452 ( -1.268 -2.361 -0.863) 2.816 6.579 ( 4.166 2.230 4.052) 6.225 6.699 ( -0.933 2.534 -2.670) 3.798 6.920 ( -2.249 -10.307 -0.716) 10.574 7.341 ( 0.080 0.359 -0.001) 0.368 7.435 ( 0.772 4.055 0.572) 4.167 7.649 ( 0.535 9.519 -1.262) 9.617 8.035 ( 1.408 0.311 -0.747) 1.624 8.138 ( -2.926 -4.425 -1.571) 5.533 8.479 ( -0.971 -3.683 1.085) 3.960 9.278 ( 0.033 -0.662 0.195) 0.691 9.390 ( 0.992 1.892 2.045) 2.957 ======================= Grid point 24 (18/160) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 1.116 6.863 -0.274) 6.958 1.548 ( -1.520 -5.417 -1.825) 5.915 1.700 ( -1.507 -7.306 -0.813) 7.504 1.856 ( -1.174 2.140 0.164) 2.446 2.045 ( 0.725 -0.412 0.362) 0.910 2.324 ( 5.684 -3.111 2.908) 7.102 2.442 ( -1.367 -3.262 -1.928) 4.028 2.526 ( -5.905 -6.234 -2.587) 8.968 2.685 ( 2.222 -0.692 2.976) 3.778 2.910 ( 3.279 1.449 2.995) 4.671 2.944 ( 0.178 -2.744 -0.234) 2.760 2.982 ( -0.915 9.953 -1.430) 10.097 3.070 ( -0.077 5.806 0.507) 5.829 3.343 ( 6.816 0.990 2.842) 7.450 3.458 ( -4.878 -1.534 -2.937) 5.897 3.552 ( -4.239 3.942 -2.702) 6.388 3.815 ( 0.427 -9.187 1.014) 9.253 4.003 ( 0.060 -4.788 -1.187) 4.934 4.057 ( -0.821 5.526 2.446) 6.099 4.379 ( 0.582 -1.516 -0.868) 1.841 4.420 ( 1.067 4.630 -0.232) 4.757 4.620 ( 1.108 -1.955 0.769) 2.375 4.644 ( -1.353 -2.173 -0.810) 2.685 4.869 ( -1.541 -3.101 -0.399) 3.486 5.049 ( 1.230 1.944 -1.451) 2.720 5.227 ( 0.911 4.338 2.335) 5.010 5.512 ( 1.317 1.385 0.149) 1.917 6.001 ( -2.384 1.422 -1.072) 2.976 6.098 ( -1.993 3.069 0.800) 3.746 6.330 ( 1.909 -1.238 -0.240) 2.288 6.486 ( -0.259 -1.725 -0.022) 1.745 6.578 ( 3.317 2.665 2.352) 4.862 6.645 ( -2.616 0.363 -2.244) 3.465 7.103 ( -0.491 -10.776 -0.410) 10.795 7.327 ( -0.162 1.398 0.288) 1.436 7.381 ( 0.377 2.126 0.195) 2.168 7.480 ( -0.355 9.088 -0.433) 9.106 8.060 ( 2.122 -1.452 0.740) 2.676 8.178 ( -1.695 -2.359 -1.154) 3.125 8.539 ( 0.093 -3.375 0.432) 3.403 9.285 ( -0.048 -0.149 -0.029) 0.160 9.357 ( 0.148 2.399 0.375) 2.432 ======================= Grid point 25 (19/160) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.000 12.996 -0.000) 12.996 1.550 ( 0.000 4.990 -0.000) 4.990 1.834 ( -0.000 -6.821 0.000) 6.821 1.857 ( 0.000 3.088 -0.000) 3.088 2.045 ( -0.000 -5.862 0.000) 5.862 2.400 ( 0.000 7.475 -0.000) 7.475 2.415 ( -0.000 -2.594 0.000) 2.594 2.536 ( 0.000 6.363 -0.000) 6.363 2.750 ( -0.000 -4.667 0.000) 4.667 2.778 ( 0.000 4.812 -0.000) 4.812 2.878 ( 0.000 3.360 -0.000) 3.360 2.964 ( 0.000 6.198 -0.000) 6.198 3.015 ( -0.000 -5.559 0.000) 5.559 3.304 ( 0.000 6.805 -0.000) 6.805 3.461 ( -0.000 -2.886 0.000) 2.886 3.550 ( -0.000 -3.060 0.000) 3.060 3.938 ( 0.000 1.989 -0.000) 1.989 4.009 ( -0.000 -6.948 0.000) 6.948 4.101 ( -0.000 -5.350 0.000) 5.350 4.368 ( 0.000 1.356 -0.000) 1.356 4.382 ( 0.000 1.109 -0.000) 1.109 4.629 ( 0.000 0.449 -0.000) 0.449 4.721 ( -0.000 -5.815 0.000) 5.815 4.946 ( -0.000 -5.750 0.000) 5.750 5.020 ( 0.000 1.790 -0.000) 1.790 5.186 ( 0.000 0.835 -0.000) 0.835 5.498 ( 0.000 0.760 -0.000) 0.760 5.963 ( 0.000 1.667 -0.000) 1.667 6.037 ( 0.000 3.002 -0.000) 3.002 6.368 ( -0.000 -2.189 0.000) 2.189 6.508 ( -0.000 -1.078 0.000) 1.078 6.518 ( 0.000 4.561 -0.000) 4.561 6.659 ( -0.000 -1.950 0.000) 1.950 7.187 ( 0.000 4.944 -0.000) 4.944 7.305 ( 0.000 0.511 -0.000) 0.511 7.367 ( 0.000 0.300 -0.000) 0.300 7.417 ( -0.000 -6.302 0.000) 6.302 8.110 ( -0.000 -3.036 0.000) 3.036 8.196 ( -0.000 -0.622 0.000) 0.622 8.594 ( -0.000 -2.652 0.000) 2.652 9.282 ( 0.000 0.469 -0.000) 0.469 9.312 ( 0.000 2.656 -0.000) 2.656 ======================= Grid point 30 (20/160) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 16.764 0.000 9.037) 19.045 0.960 ( 18.144 0.000 -5.435) 18.941 1.544 ( -9.965 -0.000 -5.848) 11.554 1.771 ( 26.786 0.000 -1.816) 26.847 1.999 ( -0.681 -0.000 4.029) 4.086 2.175 ( -8.761 -0.000 5.143) 10.160 2.378 ( 4.724 0.000 -2.885) 5.535 2.429 ( -2.326 -0.000 1.485) 2.760 2.573 ( -3.076 -0.000 7.877) 8.456 2.802 ( 3.050 0.000 -0.367) 3.072 2.961 ( -4.451 -0.000 0.241) 4.457 2.961 ( 0.014 0.000 -1.642) 1.642 3.120 ( -8.049 -0.000 5.945) 10.006 3.265 ( -5.290 -0.000 2.161) 5.714 3.383 ( -3.034 -0.000 -5.659) 6.421 3.540 ( 3.634 0.000 -9.621) 10.284 3.827 ( -8.871 -0.000 0.358) 8.878 3.878 ( -6.832 -0.000 -1.689) 7.037 4.274 ( -1.621 -0.000 -1.462) 2.183 4.352 ( 0.361 0.000 1.909) 1.943 4.446 ( -0.230 -0.000 0.043) 0.234 4.516 ( 2.916 0.000 -1.775) 3.414 4.901 ( 3.740 0.000 1.528) 4.040 5.056 ( -3.860 -0.000 -1.968) 4.333 5.148 ( 5.061 0.000 -3.609) 6.216 5.446 ( 3.636 0.000 1.733) 4.027 5.672 ( -1.932 -0.000 -0.719) 2.061 5.834 ( 9.145 0.000 0.386) 9.153 6.254 ( -8.095 -0.000 0.033) 8.095 6.305 ( 1.363 0.000 5.249) 5.423 6.485 ( -2.645 -0.000 -5.979) 6.538 6.661 ( -0.471 -0.000 0.257) 0.537 6.823 ( 2.702 0.000 0.958) 2.866 6.842 ( -0.355 -0.000 8.038) 8.046 7.345 ( 0.556 0.000 -2.808) 2.863 7.555 ( 3.054 0.000 0.972) 3.205 7.724 ( -0.311 -0.000 -2.376) 2.396 7.946 ( 0.691 0.000 -1.455) 1.611 8.161 ( -1.107 -0.000 -5.334) 5.448 8.371 ( -2.060 -0.000 3.426) 3.998 9.243 ( 0.249 0.000 0.785) 0.824 9.435 ( -0.142 -0.000 7.039) 7.041 ======================= Grid point 31 (21/160) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 13.184 -4.225 1.328) 13.908 1.181 ( 13.773 -8.666 2.109) 16.408 1.514 ( -8.911 -5.459 -6.763) 12.448 1.896 ( -0.326 -1.711 -2.989) 3.460 2.033 ( 5.752 -1.976 -0.509) 6.103 2.164 ( 2.790 0.999 6.348) 7.006 2.333 ( -0.933 5.575 -1.208) 5.780 2.481 ( -6.757 4.418 3.695) 8.879 2.516 ( 10.321 -5.825 4.435) 12.654 2.848 ( -0.863 4.710 -0.971) 4.886 2.888 ( 0.290 -5.857 -0.747) 5.912 2.971 ( -3.920 -1.621 0.980) 4.354 3.087 ( -3.946 -1.561 4.594) 6.254 3.323 ( -3.227 -3.574 7.072) 8.556 3.375 ( -3.033 -4.550 -9.920) 11.327 3.567 ( 4.257 -0.630 -6.629) 7.904 3.753 ( -9.111 -0.818 -3.119) 9.664 3.871 ( -5.033 -2.135 1.728) 5.734 4.254 ( -0.486 0.620 -0.037) 0.789 4.337 ( 1.002 2.479 1.098) 2.890 4.446 ( -0.369 -0.346 -0.238) 0.559 4.549 ( 1.258 -1.580 -1.558) 2.551 4.871 ( 3.275 6.168 1.574) 7.159 4.998 ( -3.630 3.059 -1.402) 4.949 5.162 ( 3.341 1.667 -2.350) 4.411 5.454 ( 2.424 2.083 0.687) 3.269 5.629 ( -0.220 2.764 1.245) 3.040 5.939 ( 6.681 -3.480 -0.964) 7.594 6.202 ( -7.729 -0.890 0.191) 7.783 6.326 ( 1.766 -0.436 5.012) 5.332 6.469 ( -2.875 0.293 -6.115) 6.763 6.639 ( 1.470 1.023 0.333) 1.821 6.759 ( 3.459 5.508 5.688) 8.641 6.838 ( -1.354 2.488 -0.279) 2.846 7.345 ( 0.198 0.048 -1.048) 1.067 7.556 ( 2.420 1.935 0.605) 3.157 7.819 ( -2.158 -7.922 -2.571) 8.604 7.921 ( 0.414 2.134 -0.467) 2.224 8.125 ( -0.631 2.549 -3.198) 4.138 8.373 ( -1.502 -1.617 2.186) 3.106 9.251 ( 0.149 -0.599 0.524) 0.809 9.435 ( 0.457 0.612 4.105) 4.176 ======================= Grid point 32 (22/160) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 5.438 -7.586 -1.215) 9.413 1.411 ( 8.373 -6.831 3.725) 11.430 1.579 ( -5.619 -7.446 -5.901) 11.038 1.881 ( -2.078 -0.172 -0.424) 2.128 2.118 ( 4.568 6.527 -0.395) 7.976 2.147 ( -4.375 -7.567 1.168) 8.818 2.258 ( 0.082 1.555 -0.811) 1.756 2.356 ( -5.723 -0.685 1.459) 5.946 2.762 ( 7.488 -6.050 1.032) 9.682 2.789 ( 6.009 1.936 3.120) 7.043 2.953 ( 1.561 0.130 -0.080) 1.568 2.997 ( -5.725 -6.138 0.539) 8.411 3.117 ( -1.092 -3.125 2.236) 3.995 3.326 ( -1.482 -0.145 1.828) 2.358 3.436 ( -0.632 -2.517 -3.278) 4.181 3.598 ( -0.109 -1.266 -0.724) 1.462 3.761 ( 0.224 -3.640 -8.516) 9.264 3.835 ( -6.784 0.944 5.109) 8.545 4.259 ( 1.054 0.005 3.249) 3.416 4.283 ( -0.166 3.005 -2.561) 3.952 4.465 ( 0.208 -2.188 -0.536) 2.262 4.581 ( -0.192 -1.816 -0.799) 1.993 4.752 ( 1.645 9.193 0.737) 9.368 4.908 ( -2.366 3.881 -0.451) 4.567 5.138 ( 1.632 2.798 -1.114) 3.425 5.409 ( 0.992 4.448 0.537) 4.589 5.585 ( 0.634 2.573 1.506) 3.048 6.018 ( 2.620 -1.179 -1.440) 3.214 6.168 ( -4.378 -0.185 0.721) 4.441 6.354 ( 2.993 0.853 4.278) 5.290 6.408 ( -2.916 0.711 -4.805) 5.666 6.676 ( 5.394 2.828 3.608) 7.079 6.728 ( 0.587 -1.815 0.730) 2.043 6.767 ( -4.243 0.322 -2.669) 5.023 7.344 ( 0.038 0.066 -0.189) 0.204 7.517 ( 0.850 4.023 0.301) 4.123 7.798 ( 0.135 6.752 -1.078) 6.839 7.991 ( -0.909 -7.562 -0.731) 7.651 8.076 ( -0.431 1.713 -0.921) 1.992 8.410 ( -0.686 -3.261 0.877) 3.446 9.265 ( 0.045 -0.820 0.209) 0.847 9.427 ( 0.515 1.284 1.609) 2.122 ======================= Grid point 33 (23/160) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -0.000 -8.390 0.000) 8.390 1.563 ( -0.000 -6.703 0.000) 6.703 1.583 ( 0.000 3.500 -0.000) 3.500 1.918 ( 0.000 0.205 -0.000) 0.205 1.998 ( 0.000 1.103 -0.000) 1.103 2.287 ( -0.000 -3.301 0.000) 3.301 2.306 ( -0.000 -10.241 0.000) 10.241 2.398 ( -0.000 -4.760 0.000) 4.760 2.727 ( 0.000 3.234 -0.000) 3.234 2.906 ( -0.000 -3.173 0.000) 3.173 2.939 ( 0.000 1.192 -0.000) 1.192 3.062 ( -0.000 -1.162 0.000) 1.162 3.146 ( 0.000 1.240 -0.000) 1.240 3.336 ( -0.000 -2.077 0.000) 2.077 3.445 ( 0.000 0.752 -0.000) 0.752 3.619 ( 0.000 0.707 -0.000) 0.707 3.709 ( 0.000 1.931 -0.000) 1.931 3.896 ( -0.000 -6.658 0.000) 6.658 4.174 ( 0.000 6.686 -0.000) 6.686 4.327 ( -0.000 -4.107 0.000) 4.107 4.502 ( 0.000 0.569 -0.000) 0.569 4.610 ( -0.000 -1.637 0.000) 1.637 4.613 ( 0.000 4.587 -0.000) 4.587 4.847 ( 0.000 1.511 -0.000) 1.511 5.094 ( 0.000 2.666 -0.000) 2.666 5.322 ( 0.000 5.585 -0.000) 5.585 5.549 ( 0.000 2.090 -0.000) 2.090 6.018 ( 0.000 1.335 -0.000) 1.335 6.138 ( 0.000 2.041 -0.000) 2.041 6.331 ( 0.000 1.006 -0.000) 1.006 6.439 ( -0.000 -3.236 0.000) 3.236 6.637 ( 0.000 2.283 -0.000) 2.283 6.670 ( 0.000 4.080 -0.000) 4.080 6.902 ( -0.000 -11.131 0.000) 11.131 7.342 ( 0.000 0.347 -0.000) 0.347 7.440 ( 0.000 4.489 -0.000) 4.489 7.651 ( 0.000 9.576 -0.000) 9.576 8.056 ( 0.000 0.089 -0.000) 0.089 8.105 ( -0.000 -5.186 0.000) 5.186 8.473 ( -0.000 -3.938 0.000) 3.938 9.278 ( -0.000 -0.612 0.000) 0.612 9.399 ( 0.000 2.135 -0.000) 2.135 ======================= Grid point 41 (24/160) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 8.208 0.000 -2.123) 8.478 1.170 ( 13.508 0.000 8.587) 16.006 1.376 ( -10.868 -0.000 -7.646) 13.288 1.875 ( -0.297 -0.000 -2.593) 2.610 1.978 ( -5.628 -0.000 0.692) 5.670 2.325 ( 12.179 0.000 4.866) 13.116 2.441 ( 4.174 0.000 -4.927) 6.458 2.451 ( 11.138 0.000 4.817) 12.135 2.536 ( -3.670 -0.000 7.501) 8.351 2.796 ( -16.445 -0.000 -5.807) 17.440 2.824 ( 0.452 0.000 -0.840) 0.954 2.955 ( -0.201 -0.000 -0.779) 0.804 3.048 ( -2.675 -0.000 2.419) 3.607 3.231 ( -0.401 -0.000 4.678) 4.695 3.323 ( -2.675 -0.000 -4.662) 5.375 3.590 ( 4.882 0.000 -6.099) 7.812 3.706 ( -7.036 -0.000 2.694) 7.534 3.808 ( -2.212 -0.000 -0.553) 2.280 4.255 ( -0.574 -0.000 -0.371) 0.684 4.369 ( 0.853 0.000 0.715) 1.113 4.444 ( -0.083 -0.000 0.148) 0.169 4.545 ( 1.138 0.000 -0.802) 1.392 4.951 ( 2.617 0.000 1.444) 2.989 5.001 ( -2.894 -0.000 -1.370) 3.202 5.196 ( 1.854 0.000 -1.217) 2.218 5.488 ( 1.433 0.000 0.441) 1.499 5.649 ( -0.779 -0.000 -0.285) 0.829 5.965 ( 7.913 0.000 -0.047) 7.913 6.130 ( -7.794 -0.000 0.030) 7.795 6.336 ( 1.150 0.000 3.574) 3.755 6.441 ( -1.513 -0.000 -3.986) 4.264 6.655 ( -0.249 -0.000 0.102) 0.269 6.849 ( -0.171 -0.000 2.853) 2.858 6.859 ( 1.385 0.000 0.500) 1.472 7.346 ( 0.178 0.000 -0.878) 0.896 7.586 ( 0.953 0.000 0.263) 0.989 7.717 ( -0.168 -0.000 -0.642) 0.664 7.951 ( 0.267 0.000 -0.542) 0.604 8.145 ( -0.142 -0.000 -2.054) 2.059 8.350 ( -1.036 -0.000 1.344) 1.697 9.247 ( 0.092 0.000 0.303) 0.317 9.444 ( 0.027 0.000 2.139) 2.139 ======================= Grid point 42 (25/160) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.000 -2.123 0.000) 2.123 1.350 ( -0.000 -5.084 0.000) 5.084 1.371 ( -0.000 -10.013 0.000) 10.013 1.877 ( -0.000 -0.188 0.000) 0.188 2.003 ( -0.000 -5.290 0.000) 5.290 2.304 ( 0.000 6.222 -0.000) 6.222 2.340 ( 0.000 9.428 -0.000) 9.428 2.369 ( 0.000 6.124 -0.000) 6.124 2.714 ( -0.000 -4.101 0.000) 4.101 2.761 ( -0.000 -12.933 0.000) 12.933 2.869 ( 0.000 1.479 -0.000) 1.479 2.942 ( -0.000 -1.703 0.000) 1.703 3.061 ( -0.000 -2.312 0.000) 2.312 3.314 ( -0.000 -0.421 0.000) 0.421 3.330 ( -0.000 -8.215 0.000) 8.215 3.628 ( 0.000 3.335 -0.000) 3.335 3.643 ( -0.000 -4.208 0.000) 4.208 3.835 ( -0.000 -1.600 0.000) 1.600 4.250 ( 0.000 0.061 -0.000) 0.061 4.349 ( 0.000 2.626 -0.000) 2.626 4.443 ( -0.000 -0.194 0.000) 0.194 4.557 ( -0.000 -0.925 0.000) 0.925 4.906 ( 0.000 6.503 -0.000) 6.503 4.959 ( 0.000 2.793 -0.000) 2.793 5.186 ( 0.000 1.790 -0.000) 1.790 5.473 ( 0.000 2.308 -0.000) 2.308 5.628 ( 0.000 1.903 -0.000) 1.903 6.014 ( -0.000 -1.032 0.000) 1.032 6.117 ( -0.000 -2.352 0.000) 2.352 6.351 ( -0.000 -1.029 0.000) 1.029 6.434 ( 0.000 1.004 -0.000) 1.004 6.649 ( -0.000 -0.874 0.000) 0.874 6.805 ( 0.000 4.753 -0.000) 4.753 6.815 ( 0.000 4.341 -0.000) 4.341 7.346 ( 0.000 0.077 -0.000) 0.077 7.574 ( 0.000 1.914 -0.000) 1.914 7.800 ( -0.000 -7.304 0.000) 7.304 7.924 ( 0.000 2.404 -0.000) 2.404 8.118 ( 0.000 2.504 -0.000) 2.504 8.363 ( -0.000 -1.768 0.000) 1.768 9.253 ( -0.000 -0.570 0.000) 0.570 9.443 ( 0.000 0.351 -0.000) 0.351 ======================= Grid point 85 (26/160) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -2.350 -0.000 23.669) 23.786 0.562 ( 3.534 0.000 26.813) 27.045 0.900 ( -4.888 -0.000 42.202) 42.484 1.964 ( 0.968 0.000 5.818) 5.898 2.210 ( -1.406 -0.000 3.449) 3.725 2.342 ( -10.229 -0.000 0.876) 10.267 2.343 ( 6.351 0.000 -3.804) 7.403 2.467 ( 6.211 0.000 3.511) 7.135 2.584 ( 6.029 0.000 5.543) 8.190 2.682 ( 4.920 0.000 -1.608) 5.176 2.979 ( -1.021 -0.000 6.037) 6.123 2.987 ( 4.728 0.000 -1.751) 5.041 3.172 ( 0.824 0.000 -1.989) 2.153 3.282 ( 2.231 0.000 -11.167) 11.388 3.533 ( -7.988 -0.000 1.889) 8.209 3.548 ( -3.581 -0.000 0.155) 3.584 3.983 ( -0.675 -0.000 -6.155) 6.191 4.077 ( -0.643 -0.000 -5.728) 5.764 4.287 ( -6.660 -0.000 -4.531) 8.055 4.335 ( 0.156 0.000 -0.790) 0.805 4.370 ( -6.725 -0.000 -1.049) 6.807 4.595 ( -2.747 -0.000 -0.607) 2.813 4.653 ( 4.296 0.000 -0.940) 4.398 4.929 ( -0.479 -0.000 -0.542) 0.723 5.232 ( -6.933 -0.000 -2.685) 7.435 5.356 ( 2.013 0.000 -5.114) 5.496 5.546 ( 4.381 0.000 6.459) 7.805 5.841 ( -1.817 -0.000 7.304) 7.527 6.003 ( 19.344 0.000 -0.460) 19.349 6.280 ( 0.329 0.000 1.780) 1.810 6.428 ( 0.875 0.000 -0.538) 1.027 6.632 ( 0.252 0.000 -2.282) 2.296 6.764 ( 0.926 0.000 -2.436) 2.606 6.778 ( -0.069 -0.000 -2.823) 2.824 7.087 ( -3.527 -0.000 3.988) 5.324 7.405 ( 1.856 0.000 0.420) 1.903 7.912 ( 0.583 0.000 -1.332) 1.454 8.177 ( -3.728 -0.000 -6.509) 7.501 8.465 ( 1.900 0.000 4.633) 5.007 8.598 ( -19.017 -0.000 1.112) 19.050 9.250 ( 0.578 0.000 1.989) 2.072 9.738 ( 19.733 0.000 -3.361) 20.018 ======================= Grid point 86 (27/160) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -1.192 -6.594 20.626) 21.687 0.621 ( 5.318 -9.960 18.274) 21.481 1.265 ( 9.436 -24.446 30.411) 40.143 1.944 ( -3.486 2.264 5.701) 7.056 2.197 ( -5.564 0.076 2.573) 6.130 2.287 ( -4.341 -1.577 -1.464) 4.845 2.326 ( 1.082 1.517 -3.417) 3.892 2.518 ( 7.946 0.956 4.171) 9.025 2.647 ( -0.869 -4.460 4.483) 6.383 2.788 ( 3.606 -1.881 -3.608) 5.437 2.911 ( -2.561 6.179 2.671) 7.203 3.046 ( 3.367 -2.271 -0.459) 4.087 3.151 ( 6.852 4.403 -0.693) 8.174 3.306 ( 2.752 -2.657 -10.048) 10.751 3.421 ( -5.850 4.498 1.679) 7.568 3.523 ( -5.585 -0.353 0.025) 5.596 3.958 ( -1.906 3.320 -9.154) 9.922 4.102 ( -2.490 -2.217 -6.421) 7.235 4.232 ( 1.270 -0.660 -1.302) 1.935 4.322 ( 0.433 0.760 -2.214) 2.381 4.387 ( -0.137 -3.235 0.054) 3.239 4.581 ( -3.471 -0.389 1.137) 3.674 4.741 ( -0.035 -3.807 -7.615) 8.514 4.925 ( -0.332 0.041 -0.812) 0.878 5.161 ( -7.250 1.428 -3.213) 8.057 5.335 ( 0.268 1.574 -2.879) 3.292 5.606 ( 5.866 -1.041 6.758) 9.009 5.866 ( -1.976 -3.279 6.406) 7.463 6.073 ( 17.256 7.054 -3.095) 18.897 6.311 ( 0.886 -2.717 1.869) 3.415 6.456 ( 0.187 -1.230 -1.750) 2.147 6.612 ( -1.311 5.486 -0.287) 5.647 6.645 ( -1.244 -1.013 -2.385) 2.874 6.893 ( 3.248 -1.873 1.227) 3.945 7.172 ( -0.592 -8.393 -3.893) 9.271 7.408 ( 3.099 1.826 0.508) 3.633 7.906 ( 0.046 1.688 -0.853) 1.892 8.115 ( -3.539 2.407 -5.703) 7.130 8.356 ( -9.307 6.081 6.440) 12.848 8.546 ( -6.963 -2.997 3.078) 8.182 9.257 ( 0.591 -0.181 1.859) 1.959 9.598 ( 4.492 14.584 6.826) 16.717 ======================= Grid point 87 (28/160) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 3.720 -17.087 2.847) 17.717 0.903 ( 5.303 -14.691 10.957) 19.078 1.768 ( 6.989 -16.639 17.893) 25.414 1.872 ( -3.244 -1.154 4.865) 5.960 2.120 ( -6.688 3.041 -1.684) 7.537 2.295 ( -2.447 -1.404 -0.323) 2.840 2.348 ( 0.067 -3.271 -2.605) 4.182 2.544 ( 5.149 2.744 5.711) 8.165 2.724 ( -2.596 -1.651 0.253) 3.087 2.768 ( -4.399 1.843 0.253) 4.776 2.812 ( 2.329 -0.451 -0.064) 2.373 3.080 ( 7.709 3.028 1.100) 8.355 3.133 ( 2.455 1.803 0.176) 3.051 3.304 ( -4.273 4.667 0.277) 6.334 3.401 ( 5.152 -4.938 -3.796) 8.083 3.495 ( -4.459 -0.995 -3.724) 5.894 3.869 ( 0.242 4.408 -9.752) 10.705 4.056 ( -3.210 2.743 -6.950) 8.132 4.277 ( 0.740 -0.368 1.636) 1.833 4.313 ( 0.659 -0.513 -2.645) 2.774 4.425 ( -1.703 -0.891 2.720) 3.331 4.575 ( -1.755 -1.447 0.268) 2.290 4.740 ( -2.216 1.207 -6.965) 7.408 4.922 ( 0.089 0.045 -0.712) 0.719 5.078 ( -5.428 2.080 -3.004) 6.543 5.310 ( 1.857 2.137 -0.290) 2.846 5.652 ( 2.401 0.866 8.304) 8.687 5.932 ( 0.361 -4.169 4.034) 5.812 6.067 ( 11.358 4.506 -1.448) 12.304 6.378 ( 0.153 -3.287 1.478) 3.607 6.432 ( -2.023 1.769 -0.774) 2.797 6.558 ( 0.493 1.163 0.031) 1.264 6.670 ( -0.261 -2.085 -1.974) 2.884 6.922 ( -0.513 -1.719 1.243) 2.182 7.278 ( 1.099 -3.490 -3.463) 5.038 7.391 ( 3.401 2.708 -0.291) 4.357 7.821 ( -1.429 7.280 2.482) 7.823 8.065 ( -1.695 0.522 -5.442) 5.724 8.217 ( -7.661 2.567 1.872) 8.294 8.548 ( -3.268 -1.160 1.318) 3.710 9.268 ( 0.565 -0.359 1.190) 1.366 9.454 ( 2.588 6.327 5.753) 8.934 ======================= Grid point 88 (29/160) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 5.695 -14.977 -1.886) 16.134 1.216 ( 2.609 -16.876 3.176) 17.369 1.759 ( -2.668 3.062 1.505) 4.332 2.019 ( -4.385 1.888 -4.269) 6.405 2.090 ( 1.123 -3.190 6.096) 6.971 2.285 ( -2.297 1.464 1.015) 2.907 2.423 ( -0.013 -5.765 3.576) 6.784 2.519 ( -0.227 1.126 2.001) 2.308 2.648 ( 1.082 1.691 -4.198) 4.653 2.833 ( 0.859 -2.986 -1.892) 3.638 2.879 ( -1.711 -6.457 5.252) 8.498 3.067 ( 10.620 5.832 3.123) 12.512 3.129 ( -1.254 -0.557 0.047) 1.373 3.193 ( -1.512 5.420 1.040) 5.723 3.486 ( -1.947 -1.629 -5.929) 6.449 3.518 ( 3.820 -3.834 -2.711) 6.054 3.785 ( -1.151 3.953 -10.058) 10.868 3.981 ( -0.709 2.317 -5.410) 5.928 4.243 ( 0.590 3.368 2.202) 4.067 4.340 ( -2.197 -1.420 1.888) 3.226 4.420 ( -1.413 -0.814 3.913) 4.239 4.591 ( -0.699 -0.729 -1.032) 1.445 4.690 ( -1.696 1.176 -3.900) 4.413 4.924 ( 0.300 -0.149 0.141) 0.364 5.003 ( -4.515 1.831 -3.267) 5.866 5.282 ( 2.377 3.048 2.382) 4.540 5.629 ( -0.846 2.781 8.724) 9.196 6.018 ( 2.291 -3.789 3.165) 5.442 6.088 ( 7.769 1.198 -1.193) 7.950 6.354 ( -4.401 1.884 0.502) 4.813 6.462 ( 0.590 -3.288 0.055) 3.341 6.536 ( 1.004 2.194 0.358) 2.439 6.688 ( 0.313 0.307 -0.221) 0.491 6.989 ( -2.936 -7.518 -1.490) 8.208 7.309 ( 1.899 0.201 -1.891) 2.687 7.376 ( 2.730 1.382 -0.517) 3.103 7.664 ( -0.991 9.361 4.153) 10.289 8.033 ( -1.736 1.127 -1.673) 2.661 8.166 ( -3.695 -1.230 -3.811) 5.449 8.540 ( -1.589 -0.043 -0.468) 1.657 9.279 ( 0.414 -0.356 0.461) 0.715 9.393 ( 1.408 3.407 2.112) 4.248 ======================= Grid point 89 (30/160) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 3.581 -7.215 0.843) 8.099 1.523 ( -1.368 -16.336 -3.432) 16.749 1.706 ( -0.230 1.269 0.003) 1.290 1.986 ( -5.246 2.641 -3.363) 6.768 2.024 ( 2.673 3.590 4.306) 6.211 2.223 ( 0.458 3.700 0.525) 3.765 2.458 ( -2.510 1.395 -4.304) 5.174 2.545 ( 1.742 -2.586 -0.883) 3.241 2.695 ( 0.871 -4.424 3.363) 5.625 2.875 ( 1.680 0.086 -3.361) 3.758 2.928 ( -0.956 0.421 2.565) 2.769 3.045 ( 2.349 5.053 -0.269) 5.579 3.107 ( -0.755 2.803 2.032) 3.544 3.121 ( 1.779 1.595 1.417) 2.778 3.523 ( -1.270 -4.494 -4.667) 6.602 3.550 ( -1.306 0.692 -6.432) 6.600 3.726 ( 2.475 -0.112 -7.526) 7.923 3.970 ( 1.103 -0.226 -1.802) 2.125 4.194 ( -0.209 2.483 5.367) 5.918 4.343 ( -1.902 -1.458 2.050) 3.154 4.433 ( -0.504 -0.017 3.141) 3.181 4.600 ( -0.376 -2.030 -0.845) 2.231 4.680 ( 0.774 -0.284 -0.318) 0.884 4.930 ( 0.662 0.012 1.020) 1.217 4.948 ( -4.083 0.071 -4.485) 6.065 5.245 ( 1.888 3.182 4.159) 5.567 5.580 ( -1.204 2.599 8.040) 8.535 6.082 ( -1.187 -2.092 2.495) 3.465 6.141 ( 7.586 -0.914 -0.632) 7.667 6.284 ( -5.300 2.029 1.306) 5.823 6.502 ( -0.054 1.443 -0.223) 1.461 6.511 ( 1.382 -0.798 -0.299) 1.624 6.676 ( -0.828 0.171 -0.197) 0.868 7.095 ( -2.003 -5.264 -4.650) 7.304 7.340 ( 2.132 -1.484 0.963) 2.770 7.371 ( 0.776 -0.482 0.470) 1.027 7.507 ( -0.790 7.374 3.809) 8.338 8.020 ( 0.371 -0.717 0.908) 1.215 8.168 ( -1.590 -1.272 -5.151) 5.539 8.528 ( -0.022 0.516 -2.029) 2.093 9.286 ( 0.214 -0.101 0.067) 0.246 9.349 ( 0.329 2.635 -0.518) 2.705 ======================= Grid point 90 (31/160) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -3.355 4.387 3.969) 6.801 1.617 ( -7.414 1.265 -5.281) 9.190 1.800 ( 3.694 -5.501 1.658) 6.830 1.873 ( 0.519 2.770 3.899) 4.811 2.031 ( 0.752 -2.173 -0.214) 2.309 2.240 ( 5.977 -2.780 -0.628) 6.622 2.412 ( -0.147 1.504 -4.707) 4.944 2.572 ( 0.539 1.144 1.191) 1.737 2.740 ( -6.081 7.783 -1.004) 9.928 2.769 ( 2.342 3.983 -1.122) 4.755 2.904 ( 0.890 3.375 -0.881) 3.600 2.978 ( -1.284 -1.978 -2.696) 3.582 3.062 ( -1.992 1.110 1.458) 2.707 3.099 ( 5.590 4.709 -0.589) 7.333 3.533 ( -3.026 -2.470 -4.673) 6.091 3.584 ( -3.941 -4.373 -2.917) 6.570 3.819 ( 7.009 -5.404 -5.305) 10.319 3.960 ( -1.165 1.013 -2.257) 2.734 4.174 ( 0.899 0.595 4.970) 5.086 4.372 ( -0.212 -1.720 2.549) 3.082 4.424 ( -2.048 -0.338 2.142) 2.983 4.637 ( 0.674 -0.621 0.770) 1.197 4.717 ( 2.903 -2.867 0.763) 4.150 4.927 ( 1.856 1.325 -1.176) 2.566 4.945 ( -3.221 -3.232 -2.928) 5.421 5.218 ( 1.090 1.396 3.904) 4.287 5.544 ( -0.470 1.557 7.126) 7.309 6.083 ( -3.929 -0.069 2.314) 4.560 6.173 ( -3.846 1.758 0.846) 4.313 6.252 ( 4.088 -1.469 0.364) 4.359 6.476 ( 0.935 1.797 -0.921) 2.225 6.521 ( 0.490 0.165 -0.060) 0.521 6.679 ( -1.694 -1.457 -0.527) 2.296 7.112 ( 0.818 2.254 -4.745) 5.316 7.274 ( 0.170 5.369 -0.549) 5.400 7.432 ( -1.558 0.951 3.198) 3.682 7.513 ( -0.988 -11.121 3.725) 11.770 8.067 ( 2.943 -2.676 1.720) 4.333 8.169 ( -0.568 -0.266 -4.322) 4.367 8.523 ( 1.922 0.308 -2.907) 3.498 9.285 ( 0.135 0.477 0.035) 0.497 9.304 ( -0.427 2.265 -1.647) 2.833 ======================= Grid point 91 (32/160) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -7.968 12.758 7.056) 16.615 1.407 ( -9.544 14.798 -3.144) 17.888 1.801 ( 4.893 2.998 6.391) 8.589 1.920 ( -1.448 -0.770 2.394) 2.902 2.189 ( 1.860 -9.852 0.291) 10.030 2.283 ( 2.857 5.931 5.745) 8.738 2.385 ( -1.514 1.015 -2.617) 3.189 2.433 ( -1.609 7.389 2.883) 8.094 2.577 ( 1.501 3.070 -5.616) 6.574 2.756 ( 1.763 0.174 -4.444) 4.784 2.896 ( 0.242 -0.305 3.882) 3.901 3.002 ( -1.306 1.694 -3.904) 4.452 3.048 ( 2.352 0.064 -4.623) 5.188 3.073 ( 5.231 -0.474 0.999) 5.346 3.559 ( -4.677 -3.130 -3.806) 6.794 3.615 ( -3.747 -2.709 0.619) 4.665 3.908 ( -3.019 -2.865 -3.467) 5.417 3.991 ( 6.061 -3.913 -5.880) 9.307 4.195 ( 2.294 -0.976 2.361) 3.433 4.370 ( -0.740 1.747 1.524) 2.433 4.437 ( -1.788 -2.105 2.694) 3.858 4.632 ( 0.075 1.340 1.290) 1.862 4.798 ( 3.630 -2.879 -3.451) 5.777 4.915 ( 1.949 1.190 -0.313) 2.305 5.005 ( 0.101 -5.125 -2.660) 5.775 5.224 ( 0.250 -1.025 2.281) 2.513 5.531 ( -0.094 0.597 6.183) 6.213 6.034 ( -4.995 2.051 3.429) 6.396 6.089 ( -7.093 2.222 0.050) 7.433 6.328 ( 5.579 -1.875 -0.416) 5.900 6.441 ( 0.103 2.531 -0.556) 2.593 6.534 ( 0.356 -1.515 -0.013) 1.556 6.694 ( -1.592 -1.635 -0.484) 2.332 7.013 ( 1.993 8.702 -0.416) 8.937 7.237 ( -0.493 -1.083 -4.416) 4.574 7.415 ( -2.601 -0.192 1.420) 2.970 7.708 ( -1.784 -11.010 5.751) 12.549 8.132 ( 1.015 -1.500 -4.888) 5.213 8.183 ( 2.285 -2.501 2.740) 4.357 8.546 ( 4.126 -0.799 -2.029) 4.667 9.255 ( -0.421 2.363 -1.441) 2.800 9.278 ( 0.562 0.945 1.207) 1.633 ======================= Grid point 92 (33/160) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -8.952 15.672 8.059) 19.766 1.009 ( -11.820 19.401 2.970) 22.911 1.637 ( -6.336 21.495 20.442) 30.332 1.876 ( -0.956 -1.706 3.859) 4.326 2.199 ( 4.640 1.320 2.838) 5.597 2.335 ( 4.468 -0.692 0.683) 4.573 2.376 ( 0.652 2.777 1.705) 3.323 2.402 ( -4.955 -4.082 -3.407) 7.268 2.574 ( 9.056 0.166 -0.129) 9.059 2.783 ( -1.993 0.650 -2.331) 3.135 2.860 ( 1.695 1.499 0.074) 2.264 2.996 ( 4.009 -0.449 -0.471) 4.061 3.051 ( -2.524 -2.299 -2.268) 4.099 3.176 ( 6.176 -4.096 -4.954) 8.914 3.551 ( -6.037 -1.347 -2.477) 6.663 3.621 ( -4.231 -1.037 1.774) 4.704 3.960 ( -4.455 -6.689 -5.579) 9.783 4.083 ( 5.269 -1.962 -5.823) 8.095 4.229 ( 1.776 -0.055 1.288) 2.194 4.329 ( -0.184 1.583 -0.684) 1.734 4.448 ( -1.539 0.239 1.696) 2.303 4.601 ( -0.422 1.615 1.016) 1.954 4.847 ( 2.258 -0.551 -10.135) 10.398 4.920 ( 0.382 -0.632 -1.289) 1.485 5.116 ( 5.946 -5.214 -0.416) 7.919 5.252 ( -0.890 -1.867 0.774) 2.209 5.530 ( -0.413 0.186 5.508) 5.527 5.956 ( -3.507 3.389 5.270) 7.180 5.997 ( -7.432 1.998 -1.611) 7.863 6.359 ( 1.311 2.679 0.402) 3.009 6.418 ( 2.129 -0.430 -0.962) 2.376 6.575 ( -0.214 -2.897 -0.887) 3.038 6.707 ( -1.787 -1.040 -0.375) 2.101 6.886 ( 2.205 6.535 0.312) 6.904 7.254 ( 0.411 -0.292 -3.674) 3.708 7.397 ( -2.985 -0.030 -0.271) 2.998 7.858 ( -1.549 -6.277 2.835) 7.059 8.146 ( -1.129 -2.109 -4.814) 5.376 8.279 ( 2.206 -5.050 4.057) 6.843 8.613 ( 4.199 -3.307 0.280) 5.353 9.219 ( 2.383 1.865 2.407) 3.867 9.272 ( 2.157 0.855 3.406) 4.121 ======================= Grid point 93 (34/160) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -8.394 13.266 12.617) 20.141 0.663 ( -8.923 12.023 19.081) 24.254 1.192 ( -9.792 22.519 32.460) 40.702 1.924 ( 2.669 -1.766 4.960) 5.903 2.215 ( 3.745 1.342 2.993) 4.979 2.316 ( -1.085 1.731 -0.238) 2.057 2.378 ( 1.011 -0.140 2.370) 2.580 2.421 ( -2.183 -2.732 -0.184) 3.502 2.621 ( 3.180 5.354 5.931) 8.600 2.701 ( 5.681 2.945 -5.856) 8.674 2.926 ( 2.039 -3.598 -1.824) 4.520 2.994 ( 2.413 2.638 2.307) 4.255 3.121 ( -2.105 -6.191 -3.005) 7.196 3.261 ( 4.962 -1.205 -7.708) 9.246 3.532 ( -7.241 -2.718 -0.024) 7.734 3.596 ( -4.474 0.202 1.648) 4.772 4.018 ( -3.324 -2.383 -7.698) 8.717 4.106 ( 3.546 3.211 -5.411) 7.222 4.248 ( -2.288 -4.872 -1.261) 5.528 4.331 ( -0.415 -1.451 -2.100) 2.586 4.406 ( -2.448 2.085 0.261) 3.226 4.591 ( 0.729 -0.170 1.733) 1.888 4.795 ( -2.248 6.489 -14.670) 16.198 4.930 ( -0.146 -0.371 -0.669) 0.779 5.263 ( -2.076 -1.451 -2.577) 3.613 5.268 ( 8.637 -4.101 -0.125) 9.562 5.529 ( 0.555 0.487 5.817) 5.863 5.883 ( -2.314 3.202 6.815) 7.878 5.925 ( -1.310 0.816 0.376) 1.589 6.306 ( -0.637 2.680 1.266) 3.032 6.437 ( 2.512 1.023 -1.604) 3.151 6.624 ( 0.068 -2.396 -1.803) 2.999 6.694 ( -3.807 -1.216 -2.235) 4.580 6.839 ( 3.766 2.449 1.489) 4.732 7.199 ( -1.926 6.154 -3.384) 7.282 7.388 ( -0.674 -0.932 -0.548) 1.274 7.908 ( 0.029 -0.759 -1.403) 1.596 8.179 ( -3.266 -3.160 -4.709) 6.544 8.389 ( 1.235 -5.236 4.980) 7.331 8.684 ( -6.779 -3.518 -2.181) 7.943 9.241 ( 1.537 -0.301 1.896) 2.460 9.372 ( 19.494 -8.068 15.134) 25.965 ======================= Grid point 95 (35/160) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 3.198 0.000 21.471) 21.708 0.734 ( 11.348 0.000 24.117) 26.653 1.140 ( 21.175 0.000 32.717) 38.971 1.906 ( -11.024 -0.000 6.703) 12.902 2.172 ( -4.114 -0.000 3.202) 5.213 2.240 ( -1.333 -0.000 -3.607) 3.845 2.358 ( -1.714 -0.000 -6.106) 6.342 2.597 ( 8.263 0.000 4.864) 9.589 2.626 ( -3.717 -0.000 2.876) 4.700 2.742 ( 3.230 0.000 1.029) 3.390 2.969 ( -2.016 -0.000 3.504) 4.043 3.044 ( 2.202 0.000 0.552) 2.270 3.240 ( 4.660 0.000 -2.982) 5.532 3.266 ( -0.255 -0.000 -12.535) 12.537 3.444 ( -2.385 -0.000 0.311) 2.405 3.483 ( -5.549 -0.000 2.378) 6.037 3.955 ( -1.322 -0.000 -5.473) 5.631 4.033 ( -4.105 -0.000 -5.339) 6.734 4.242 ( 1.922 0.000 -1.804) 2.636 4.336 ( 0.483 0.000 -2.773) 2.815 4.352 ( 2.312 0.000 -0.918) 2.488 4.528 ( -5.360 -0.000 -0.363) 5.372 4.730 ( 5.325 0.000 -0.947) 5.409 4.926 ( 0.943 0.000 -1.504) 1.775 5.121 ( -5.576 -0.000 -3.612) 6.643 5.333 ( -0.954 -0.000 -3.608) 3.732 5.650 ( 6.728 0.000 5.676) 8.803 5.822 ( -2.937 -0.000 7.239) 7.813 6.283 ( 11.371 0.000 -10.570) 15.525 6.306 ( 4.316 0.000 -1.140) 4.464 6.419 ( -2.298 -0.000 -0.371) 2.327 6.635 ( 0.947 0.000 -2.327) 2.512 6.769 ( 0.014 0.000 -2.385) 2.385 6.827 ( 8.789 0.000 -4.179) 9.732 7.066 ( -0.487 -0.000 4.159) 4.188 7.455 ( 4.216 0.000 1.101) 4.358 7.919 ( 0.663 0.000 -0.578) 0.880 8.109 ( -3.216 -0.000 -7.039) 7.739 8.311 ( -19.879 -0.000 15.624) 25.284 8.486 ( -0.246 -0.000 4.253) 4.261 9.261 ( 0.287 0.000 2.176) 2.195 9.743 ( -9.696 -0.000 -0.271) 9.700 ======================= Grid point 96 (36/160) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 9.794 -8.729 12.728) 18.279 0.838 ( 15.328 -2.337 17.621) 23.472 1.535 ( 17.321 -18.026 23.321) 34.188 1.824 ( -12.535 -0.441 4.300) 13.259 2.123 ( -4.810 2.205 1.738) 5.569 2.261 ( 0.541 -1.747 -2.830) 3.369 2.312 ( -1.740 1.064 -3.987) 4.478 2.581 ( -4.924 -1.733 5.131) 7.320 2.651 ( 3.591 0.566 3.792) 5.253 2.810 ( 1.434 -1.759 0.277) 2.287 2.867 ( -3.286 6.945 -0.398) 7.694 3.078 ( 0.231 -2.002 0.547) 2.088 3.263 ( 7.122 1.698 -1.768) 7.532 3.265 ( -4.248 -1.899 -7.486) 8.814 3.395 ( -2.856 1.575 0.961) 3.400 3.455 ( -0.435 -0.131 0.623) 0.771 3.909 ( -3.495 2.510 -7.417) 8.574 4.035 ( -3.907 -2.097 -4.503) 6.319 4.260 ( 1.636 -0.749 -0.935) 2.028 4.335 ( 2.147 0.773 -3.617) 4.277 4.395 ( 0.316 -1.522 -0.283) 1.580 4.512 ( -4.154 -2.768 -0.750) 5.047 4.754 ( 2.486 1.485 -3.034) 4.194 4.936 ( 2.833 0.306 -2.577) 3.842 5.072 ( -3.771 1.335 -2.897) 4.939 5.327 ( 0.223 0.055 -3.584) 3.592 5.699 ( 4.298 0.755 6.775) 8.058 5.851 ( -1.305 -4.469 4.915) 6.770 6.272 ( 8.573 6.816 -6.813) 12.898 6.338 ( 2.017 -2.163 1.691) 3.407 6.427 ( -3.196 -1.052 -2.842) 4.404 6.605 ( 0.517 5.636 0.967) 5.742 6.652 ( 2.911 1.280 -1.760) 3.634 6.932 ( 0.943 0.677 1.763) 2.111 7.177 ( 2.713 -8.378 -4.962) 10.108 7.467 ( 4.180 2.253 0.721) 4.803 7.906 ( 0.243 2.717 -0.319) 2.746 8.059 ( -2.411 1.357 -4.825) 5.561 8.183 ( -13.292 1.248 11.096) 17.359 8.499 ( -2.342 -1.522 4.047) 4.917 9.267 ( 0.149 -0.273 1.804) 1.831 9.588 ( -4.577 7.235 3.736) 9.341 ======================= Grid point 97 (37/160) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 10.491 -12.811 2.416) 16.734 1.072 ( 13.527 -8.832 9.634) 18.810 1.751 ( -8.408 -0.530 2.053) 8.671 1.939 ( 4.776 -11.363 8.160) 14.783 2.044 ( -2.277 0.828 2.748) 3.664 2.262 ( -1.911 -0.167 -1.352) 2.347 2.328 ( -2.696 -4.041 -1.523) 5.091 2.579 ( -3.311 5.592 3.845) 7.551 2.663 ( -3.038 -5.819 1.741) 6.791 2.727 ( 0.357 1.503 -0.612) 1.662 2.872 ( 4.627 -0.180 2.530) 5.277 3.108 ( -1.018 -1.569 -0.889) 2.072 3.234 ( -4.373 1.152 -1.103) 4.655 3.260 ( 10.240 5.705 1.754) 11.853 3.389 ( -5.111 -3.867 -6.364) 9.032 3.495 ( 4.286 -2.569 1.406) 5.191 3.820 ( -5.120 3.027 -8.852) 10.665 4.012 ( -0.726 1.607 -4.879) 5.188 4.287 ( -0.105 -1.182 2.269) 2.561 4.312 ( -1.175 2.312 -0.824) 2.722 4.395 ( -1.328 -0.799 0.905) 1.795 4.560 ( 0.090 -3.245 -2.108) 3.871 4.708 ( -0.659 3.563 -2.785) 4.570 4.946 ( 3.537 1.056 -1.762) 4.090 5.011 ( -3.209 2.357 -2.609) 4.760 5.321 ( 0.344 0.650 -2.331) 2.444 5.693 ( 1.147 2.820 8.941) 9.445 5.946 ( 0.606 -5.383 2.120) 5.817 6.218 ( 8.227 5.461 -3.040) 10.332 6.358 ( -3.665 2.282 1.361) 4.527 6.407 ( -0.782 -2.680 -1.266) 3.066 6.586 ( 3.354 0.762 2.148) 4.055 6.670 ( 1.000 -1.767 -1.820) 2.727 6.898 ( -3.079 0.411 1.248) 3.348 7.295 ( 1.870 -3.384 -2.747) 4.743 7.445 ( 3.539 3.342 -0.604) 4.905 7.811 ( -0.352 7.418 1.811) 7.644 8.041 ( -0.128 0.365 -3.303) 3.325 8.100 ( -7.727 -0.810 2.147) 8.060 8.510 ( -2.715 -1.426 2.453) 3.927 9.276 ( 0.098 -0.419 1.102) 1.183 9.472 ( -0.782 4.507 2.289) 5.115 ======================= Grid point 98 (38/160) ======================= q-point: ( 0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 6.693 -13.573 -2.962) 15.420 1.322 ( 9.473 -8.124 5.012) 13.449 1.710 ( -4.094 0.133 -0.219) 4.102 1.948 ( -3.655 -0.341 -3.827) 5.303 2.100 ( -1.819 2.215 4.279) 5.151 2.247 ( -1.935 -0.521 0.138) 2.008 2.407 ( -2.929 -6.055 3.744) 7.698 2.482 ( -4.517 -0.975 -5.912) 7.504 2.682 ( 3.693 1.406 1.721) 4.310 2.828 ( 0.614 -5.933 1.135) 6.072 2.912 ( 3.143 -1.287 4.857) 5.926 3.110 ( -0.194 1.012 0.080) 1.034 3.169 ( -2.197 3.351 -1.046) 4.141 3.243 ( 10.371 4.981 2.792) 11.839 3.408 ( -5.270 -3.600 -8.498) 10.628 3.571 ( 2.681 -0.116 -1.767) 3.213 3.721 ( -4.384 0.913 -7.473) 8.712 3.985 ( 1.707 0.970 -2.997) 3.583 4.239 ( -3.120 3.259 3.217) 5.541 4.308 ( -0.742 -1.302 1.981) 2.484 4.431 ( 2.199 -1.800 2.355) 3.691 4.585 ( 0.339 0.674 -1.190) 1.409 4.656 ( -2.262 -0.614 -1.715) 2.904 4.927 ( -3.273 2.095 0.391) 3.906 4.965 ( 3.401 1.192 -3.475) 5.006 5.299 ( -0.397 1.852 -0.305) 1.919 5.649 ( 0.942 3.834 9.838) 10.600 6.026 ( -1.247 -3.292 1.179) 3.712 6.205 ( 7.122 2.080 -1.655) 7.602 6.281 ( -5.395 2.172 1.027) 5.905 6.458 ( -0.989 -3.243 -0.866) 3.500 6.579 ( 4.517 3.313 2.318) 6.062 6.683 ( -1.077 0.991 -0.404) 1.518 6.941 ( -2.818 -7.900 -1.281) 8.485 7.329 ( 1.177 -0.275 -0.947) 1.535 7.412 ( 1.843 2.480 -0.879) 3.212 7.665 ( -0.020 9.322 3.109) 9.827 8.022 ( 0.500 0.416 1.377) 1.523 8.107 ( -2.634 -3.113 -5.148) 6.568 8.515 ( -1.891 -0.997 0.055) 2.139 9.284 ( 0.062 -0.348 0.503) 0.615 9.404 ( -0.140 3.356 -0.017) 3.359 ======================= Grid point 99 (39/160) ======================= q-point: ( 0.56 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 4.260 -1.439 2.161) 4.989 1.493 ( -0.482 -9.169 -3.236) 9.736 1.710 ( -0.231 -3.782 0.296) 3.801 1.899 ( -4.581 2.548 -1.741) 5.524 2.061 ( 0.846 -0.001 3.259) 3.367 2.251 ( 3.413 0.389 -1.617) 3.796 2.426 ( -0.698 0.390 -2.827) 2.938 2.523 ( -4.241 -5.136 -4.055) 7.798 2.716 ( 0.664 -2.329 3.290) 4.085 2.879 ( -0.021 0.599 -3.006) 3.065 2.936 ( 1.133 2.036 2.522) 3.434 3.039 ( 0.083 7.025 1.890) 7.275 3.089 ( -1.437 3.382 -0.221) 3.681 3.240 ( 9.550 4.588 0.668) 10.616 3.431 ( -6.299 -4.976 -8.561) 11.736 3.523 ( -2.052 1.587 -2.223) 3.417 3.762 ( 2.859 -5.073 -6.156) 8.474 3.982 ( 0.928 1.397 -1.775) 2.442 4.179 ( -3.219 0.727 5.751) 6.631 4.339 ( 0.888 -1.870 1.638) 2.640 4.439 ( 0.508 2.312 2.471) 3.422 4.612 ( 1.921 -2.951 0.535) 3.562 4.673 ( -1.668 -2.669 0.492) 3.185 4.878 ( -3.469 -0.410 -2.640) 4.379 4.976 ( 4.603 1.075 -0.243) 4.733 5.253 ( -1.677 2.252 1.131) 3.028 5.605 ( 1.730 3.321 9.803) 10.494 6.042 ( -4.102 -0.977 0.757) 4.284 6.188 ( -4.314 3.019 1.945) 5.613 6.258 ( 4.568 -1.388 -1.066) 4.892 6.490 ( -0.865 -1.098 -0.626) 1.531 6.560 ( 4.295 2.788 1.244) 5.270 6.650 ( -2.468 0.257 -0.861) 2.626 7.066 ( -0.489 -6.241 -4.083) 7.474 7.362 ( -0.848 -3.764 0.601) 3.905 7.382 ( 1.789 2.045 1.237) 2.986 7.499 ( -1.139 8.809 2.994) 9.373 8.051 ( 2.738 -1.682 2.044) 3.809 8.135 ( -1.120 -2.204 -5.159) 5.721 8.520 ( -0.401 -0.914 -2.453) 2.649 9.289 ( 0.066 -0.096 0.295) 0.317 9.347 ( -0.198 2.921 -1.406) 3.247 ======================= Grid point 100 (40/160) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -4.103 9.256 5.841) 11.688 1.523 ( -3.510 4.158 -4.835) 7.279 1.821 ( -0.607 -5.315 -0.245) 5.355 1.904 ( 2.594 -1.818 3.425) 4.665 2.042 ( 0.172 -2.404 1.195) 2.690 2.330 ( 4.584 -4.965 -5.076) 8.452 2.417 ( 2.462 2.494 1.283) 3.732 2.556 ( -1.919 -1.462 -2.548) 3.509 2.638 ( -5.725 12.747 -3.437) 14.390 2.780 ( -0.382 1.581 -0.288) 1.652 2.929 ( 1.461 3.982 0.264) 4.250 2.983 ( 2.395 -1.878 2.225) 3.770 3.053 ( -0.391 0.162 2.755) 2.787 3.203 ( 7.429 6.691 -1.733) 10.147 3.471 ( -2.277 -3.714 -7.003) 8.247 3.514 ( -4.981 -3.573 -0.751) 6.176 3.870 ( 0.955 -2.471 -6.349) 6.879 3.952 ( 1.217 -1.138 -3.921) 4.260 4.180 ( -1.150 -1.542 4.656) 5.038 4.379 ( 0.282 -1.334 2.022) 2.439 4.407 ( -0.624 0.805 2.508) 2.707 4.645 ( -0.124 0.029 1.348) 1.354 4.735 ( -0.654 -4.103 -0.191) 4.160 4.899 ( -0.685 -3.780 -4.138) 5.646 4.996 ( 6.200 0.784 2.404) 6.695 5.208 ( -3.263 0.606 0.898) 3.438 5.580 ( 2.357 2.391 9.154) 9.750 6.012 ( -5.183 0.277 1.059) 5.297 6.099 ( -4.672 3.264 2.232) 6.121 6.326 ( 4.164 -2.317 -0.705) 4.817 6.489 ( 0.759 1.155 -0.293) 1.413 6.535 ( 1.165 2.038 0.637) 2.432 6.650 ( -1.455 -1.786 -1.350) 2.670 7.119 ( 1.610 0.280 -4.970) 5.232 7.283 ( 0.935 7.553 0.003) 7.611 7.399 ( -3.198 0.639 0.298) 3.275 7.509 ( -0.874 -10.188 6.309) 12.015 8.100 ( 0.253 -1.875 -1.980) 2.739 8.165 ( 1.687 -1.795 -0.645) 2.547 8.540 ( 1.169 -1.521 -4.141) 4.564 9.285 ( -0.089 0.984 -0.683) 1.201 9.303 ( 0.616 1.621 0.217) 1.748 ======================= Grid point 101 (41/160) ======================= q-point: (-0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -5.639 14.272 7.952) 17.284 1.283 ( -5.919 18.065 -3.760) 19.379 1.831 ( -2.469 -1.466 1.652) 3.313 1.942 ( 3.657 6.448 9.623) 12.147 2.202 ( -2.587 -9.461 -2.610) 10.150 2.272 ( -0.142 7.317 4.707) 8.701 2.404 ( 1.501 0.811 -0.774) 1.874 2.447 ( 1.909 4.837 2.878) 5.943 2.600 ( 3.649 -3.159 -5.027) 6.969 2.770 ( 2.180 0.600 -5.086) 5.566 2.902 ( -0.463 -1.623 2.544) 3.053 2.967 ( -2.815 4.578 3.088) 6.198 3.095 ( 3.701 -0.526 -2.119) 4.297 3.168 ( 6.262 0.056 0.854) 6.320 3.486 ( -3.932 -1.032 -4.751) 6.253 3.557 ( -2.886 -3.400 -1.854) 4.830 3.850 ( -2.728 -1.223 -6.114) 6.806 4.043 ( 1.949 -4.727 -7.328) 8.935 4.217 ( 0.570 -2.407 2.239) 3.336 4.362 ( -0.530 2.153 0.551) 2.285 4.427 ( -0.534 -1.694 3.813) 4.207 4.627 ( -1.060 1.492 1.328) 2.261 4.783 ( -2.455 -3.233 -5.397) 6.754 4.935 ( 0.300 -0.309 -2.574) 2.610 5.087 ( 8.996 -4.186 2.323) 10.190 5.189 ( -5.079 -1.813 0.002) 5.393 5.573 ( 2.965 1.700 8.316) 8.991 5.963 ( -4.290 1.243 1.176) 4.618 6.015 ( -2.585 3.398 2.521) 4.958 6.393 ( 2.682 -2.206 -0.535) 3.514 6.445 ( 0.420 3.883 0.664) 3.962 6.535 ( -0.186 -1.294 -0.191) 1.321 6.675 ( -0.469 -1.665 -1.211) 2.112 7.033 ( 0.640 8.534 -0.641) 8.582 7.241 ( 2.131 -1.060 -3.738) 4.431 7.377 ( -2.493 -0.039 0.124) 2.496 7.692 ( -1.965 -10.526 6.115) 12.331 8.112 ( -1.564 -0.873 -5.755) 6.027 8.222 ( 1.269 -2.953 2.178) 3.882 8.580 ( 0.969 -2.272 -3.951) 4.659 9.259 ( 0.848 1.419 -0.377) 1.695 9.303 ( 2.286 0.173 3.654) 4.314 ======================= Grid point 102 (42/160) ======================= q-point: (-0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -4.514 18.006 4.914) 19.203 0.885 ( -5.518 18.663 8.916) 21.407 1.645 ( 2.002 24.618 22.086) 33.134 1.886 ( 0.206 -3.573 4.073) 5.422 2.222 ( -4.435 -2.357 1.171) 5.157 2.327 ( -1.731 -0.850 -3.468) 3.968 2.355 ( -1.164 3.386 -0.629) 3.635 2.439 ( 6.489 -0.810 4.138) 7.738 2.702 ( 6.609 -2.572 1.538) 7.257 2.765 ( 0.529 2.675 -2.787) 3.899 2.854 ( -3.515 0.211 0.920) 3.639 2.996 ( 1.260 -6.333 -0.032) 6.458 3.092 ( 4.460 2.702 -1.082) 5.325 3.267 ( 6.662 -3.128 -0.743) 7.397 3.440 ( -7.115 0.224 -4.481) 8.411 3.563 ( -3.860 -0.419 -1.108) 4.037 3.893 ( -1.887 -5.620 -8.344) 10.236 4.105 ( -0.523 -2.852 -7.131) 7.698 4.255 ( 1.743 0.617 0.958) 2.082 4.318 ( -0.620 1.206 -2.016) 2.430 4.435 ( -0.874 1.107 2.522) 2.890 4.595 ( -1.023 0.846 1.797) 2.234 4.797 ( -2.853 -1.011 -10.515) 10.942 4.930 ( -0.223 0.294 -1.119) 1.179 5.181 ( -6.676 -2.617 -2.874) 7.725 5.245 ( 7.418 -4.990 1.296) 9.034 5.582 ( 4.331 1.344 7.598) 8.849 5.925 ( -0.872 1.279 4.159) 4.438 5.951 ( 2.030 2.421 1.059) 3.333 6.370 ( 0.303 4.247 1.484) 4.509 6.445 ( 0.927 -1.675 -1.074) 2.195 6.563 ( -0.843 -2.256 -0.787) 2.533 6.682 ( -0.995 0.616 -1.663) 2.034 6.914 ( 1.180 4.443 0.953) 4.695 7.267 ( 1.689 1.472 -3.457) 4.120 7.366 ( -0.429 -0.898 -0.629) 1.177 7.840 ( -1.695 -6.812 2.903) 7.597 8.108 ( -2.241 -1.292 -5.874) 6.419 8.290 ( -2.219 -4.928 2.822) 6.097 8.605 ( -3.580 -1.187 -2.049) 4.292 9.254 ( 1.199 0.367 1.027) 1.621 9.364 ( 6.925 -4.155 8.655) 11.838 ======================= Grid point 105 (43/160) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 16.202 0.000 12.061) 20.198 0.972 ( 13.847 0.000 20.278) 24.555 1.542 ( 22.748 0.000 19.903) 30.225 1.712 ( -14.924 -0.000 3.948) 15.438 2.116 ( -3.553 -0.000 4.725) 5.912 2.249 ( 2.196 0.000 -4.729) 5.214 2.306 ( -3.319 -0.000 -3.426) 4.770 2.524 ( -8.581 -0.000 1.491) 8.709 2.698 ( 2.805 0.000 3.752) 4.685 2.791 ( 3.205 0.000 3.268) 4.578 2.932 ( -2.403 -0.000 -2.311) 3.334 3.041 ( -3.217 -0.000 0.811) 3.318 3.218 ( -4.596 -0.000 -8.655) 9.800 3.239 ( -1.912 -0.000 -3.936) 4.376 3.423 ( -1.376 -0.000 2.958) 3.262 3.457 ( 1.314 0.000 4.127) 4.331 3.922 ( -2.345 -0.000 -1.520) 2.794 3.938 ( -6.628 -0.000 -3.819) 7.650 4.265 ( 0.616 0.000 -0.786) 0.999 4.363 ( 3.349 0.000 -5.704) 6.615 4.383 ( 0.737 0.000 -0.285) 0.790 4.458 ( -2.010 -0.000 -0.867) 2.189 4.802 ( 4.978 0.000 -3.637) 6.165 4.966 ( 5.266 0.000 -4.051) 6.644 5.059 ( -2.453 -0.000 -2.180) 3.281 5.327 ( 1.010 0.000 -5.605) 5.695 5.759 ( 6.565 0.000 4.037) 7.707 5.790 ( -2.966 -0.000 6.969) 7.574 6.339 ( 2.815 0.000 1.634) 3.255 6.355 ( -5.894 -0.000 -0.729) 5.939 6.364 ( 1.971 0.000 -8.679) 8.900 6.644 ( 0.490 0.000 -2.240) 2.293 6.782 ( 2.371 0.000 -1.251) 2.681 6.931 ( 3.342 0.000 -3.212) 4.635 7.103 ( 5.626 0.000 -1.703) 5.878 7.520 ( 3.923 0.000 0.805) 4.005 7.927 ( 0.243 0.000 0.821) 0.856 8.061 ( -1.132 -0.000 -6.441) 6.540 8.099 ( -13.099 -0.000 18.551) 22.709 8.476 ( -2.200 -0.000 3.797) 4.388 9.266 ( -0.187 -0.000 1.780) 1.789 9.601 ( -8.358 -0.000 1.656) 8.521 ======================= Grid point 106 (44/160) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 16.491 -5.615 7.835) 19.101 1.112 ( 16.293 -2.356 15.086) 22.330 1.632 ( -13.102 -2.848 2.114) 13.573 1.805 ( 10.606 -9.767 9.947) 17.516 2.075 ( -0.914 3.108 5.259) 6.177 2.248 ( -4.138 -0.954 -3.253) 5.349 2.278 ( 0.242 2.152 -3.652) 4.245 2.517 ( -1.820 -6.515 4.961) 8.388 2.657 ( -4.818 5.684 1.522) 7.605 2.811 ( 1.324 4.919 -2.035) 5.485 2.878 ( 2.410 -2.428 2.910) 4.492 3.050 ( -3.480 -2.858 -1.608) 4.782 3.175 ( -6.825 -1.399 -3.597) 7.841 3.276 ( -4.331 -4.437 -6.456) 8.951 3.400 ( 5.493 2.774 3.068) 6.876 3.491 ( 2.273 -1.818 5.268) 6.018 3.812 ( -7.012 3.490 -4.377) 8.973 3.980 ( -3.178 -3.536 -0.328) 4.766 4.266 ( -0.410 -0.227 0.237) 0.525 4.352 ( -0.446 2.164 -1.323) 2.576 4.383 ( 0.446 -0.085 -2.816) 2.852 4.494 ( 1.558 -3.444 -2.083) 4.316 4.794 ( 3.485 4.214 -3.596) 6.545 4.998 ( 5.846 0.983 -4.026) 7.166 5.025 ( -2.093 1.657 -1.824) 3.233 5.326 ( 0.761 0.256 -6.003) 6.057 5.751 ( 0.570 1.892 7.876) 8.120 5.866 ( 3.011 -4.658 2.259) 5.989 6.297 ( -3.470 1.016 -1.610) 3.958 6.362 ( -0.801 -0.996 -4.044) 4.241 6.386 ( 1.535 0.110 0.536) 1.629 6.616 ( 0.740 2.127 -0.939) 2.440 6.720 ( 5.397 4.727 -0.843) 7.224 6.920 ( -2.794 2.722 2.133) 4.446 7.223 ( 4.363 -6.066 -5.018) 9.000 7.524 ( 3.080 2.498 0.099) 3.966 7.912 ( 0.620 3.112 -0.231) 3.181 8.009 ( -5.824 -0.134 6.180) 8.493 8.064 ( -2.767 0.312 2.735) 3.903 8.468 ( -3.047 -0.946 3.470) 4.713 9.269 ( -0.336 -0.368 1.284) 1.377 9.521 ( -4.628 2.662 0.812) 5.401 ======================= Grid point 107 (45/160) ======================= q-point: ( 0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 12.581 -8.017 3.871) 15.412 1.315 ( 15.627 -4.627 8.052) 18.178 1.623 ( -8.369 -4.687 0.268) 9.596 1.921 ( -4.216 0.039 -0.581) 4.256 2.089 ( 3.064 -3.067 5.212) 6.779 2.226 ( -2.262 1.269 -2.643) 3.703 2.258 ( -6.003 -5.177 -0.416) 7.938 2.471 ( -8.302 5.351 -1.916) 10.061 2.713 ( 5.813 -9.074 5.453) 12.077 2.761 ( 4.481 3.201 1.169) 5.630 2.935 ( 2.341 -0.808 1.002) 2.672 3.082 ( -2.076 -2.979 -0.644) 3.688 3.149 ( -6.671 -1.615 -2.353) 7.256 3.283 ( -4.766 -1.885 -7.103) 8.759 3.423 ( 8.590 2.418 2.973) 9.407 3.564 ( 4.306 -3.021 3.626) 6.389 3.696 ( -8.009 2.859 -6.676) 10.811 3.995 ( -1.621 -0.644 0.442) 1.799 4.253 ( -3.417 1.400 -0.225) 3.700 4.310 ( 0.835 1.107 1.975) 2.413 4.408 ( 2.181 -2.272 -1.596) 3.530 4.561 ( 0.552 -3.090 -1.478) 3.469 4.710 ( 1.360 6.514 -2.178) 7.002 4.952 ( -3.400 3.290 -0.073) 4.732 5.022 ( 5.983 1.533 -4.020) 7.370 5.313 ( -0.453 0.876 -4.847) 4.946 5.724 ( 0.075 2.648 9.367) 9.734 5.964 ( 1.874 -3.647 0.626) 4.148 6.260 ( -3.369 0.552 -0.644) 3.474 6.319 ( 0.365 4.334 -3.181) 5.389 6.400 ( 0.520 -1.591 1.138) 2.024 6.653 ( 3.475 -2.637 1.833) 4.732 6.692 ( 2.610 2.534 -1.592) 3.971 6.842 ( -4.459 1.126 1.788) 4.934 7.316 ( 1.509 -2.411 -1.730) 3.329 7.485 ( 2.055 3.908 -1.289) 4.600 7.820 ( 0.918 7.514 1.795) 7.780 8.013 ( -4.193 -3.206 1.546) 5.500 8.049 ( 1.543 0.554 -0.372) 1.681 8.471 ( -3.079 -1.671 1.990) 4.029 9.276 ( -0.344 -0.555 0.677) 0.941 9.451 ( -2.094 2.597 -0.634) 3.395 ======================= Grid point 108 (46/160) ======================= q-point: ( 0.56 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 7.816 -8.316 1.499) 11.510 1.489 ( 11.065 -2.689 4.085) 12.097 1.635 ( -5.653 -2.256 -0.993) 6.167 1.904 ( -1.216 -0.435 -1.773) 2.194 2.055 ( -4.260 2.519 2.299) 5.457 2.255 ( 2.590 -2.647 -0.504) 3.738 2.344 ( -6.489 -8.816 -1.779) 11.090 2.396 ( -3.333 -1.524 -2.800) 4.612 2.731 ( 1.618 2.024 1.654) 3.074 2.861 ( 2.088 -1.663 -1.009) 2.853 2.970 ( 3.375 -0.868 3.899) 5.229 3.102 ( -2.458 -0.485 -0.220) 2.515 3.122 ( -2.367 0.894 -2.713) 3.710 3.283 ( -4.883 -3.516 -7.460) 9.584 3.417 ( 8.833 5.540 1.390) 10.519 3.567 ( -2.606 4.544 -3.506) 6.303 3.669 ( 0.021 -5.187 -1.857) 5.509 4.002 ( 0.735 -0.484 1.095) 1.405 4.179 ( -4.477 2.603 1.891) 5.513 4.329 ( 2.064 -1.006 1.325) 2.650 4.483 ( 3.330 -1.831 1.870) 4.236 4.596 ( 1.276 0.651 -0.413) 1.491 4.620 ( -1.930 0.247 -0.774) 2.094 4.871 ( -3.208 2.446 -0.824) 4.117 5.034 ( 5.282 1.443 -1.410) 5.654 5.274 ( -2.265 2.048 -3.233) 4.447 5.682 ( -0.234 3.007 10.190) 10.627 6.008 ( -0.309 -0.618 0.295) 0.751 6.206 ( -4.755 2.267 1.635) 5.516 6.280 ( 3.433 0.844 -2.506) 4.333 6.442 ( -0.405 -2.794 -0.655) 2.898 6.647 ( -3.432 1.905 -1.599) 4.239 6.666 ( 5.490 4.224 3.678) 7.843 6.908 ( -1.195 -9.402 -0.365) 9.485 7.339 ( 0.293 -0.013 -0.878) 0.926 7.427 ( 0.640 3.127 -0.464) 3.226 7.675 ( 0.526 9.911 2.711) 10.289 8.053 ( 2.789 -1.026 2.951) 4.188 8.068 ( -1.260 -3.279 -4.879) 6.012 8.484 ( -2.080 -1.874 -0.627) 2.869 9.283 ( -0.259 -0.503 0.271) 0.627 9.392 ( -1.199 2.668 -1.848) 3.461 ======================= Grid point 109 (47/160) ======================= q-point: (-0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 3.120 0.482 1.739) 3.604 1.520 ( 1.516 2.360 1.458) 3.161 1.699 ( 0.111 -7.873 0.364) 7.882 1.866 ( -0.034 0.004 1.036) 1.036 2.062 ( -1.344 -0.792 1.169) 1.949 2.285 ( 0.110 -0.492 -5.944) 5.965 2.441 ( 4.101 -3.001 0.041) 5.082 2.443 ( -3.186 -7.031 -5.206) 9.310 2.694 ( -4.410 1.946 0.028) 4.820 2.866 ( -0.308 2.527 -2.882) 3.846 2.958 ( 0.833 2.724 2.109) 3.544 3.058 ( -2.328 2.203 -1.521) 3.548 3.071 ( 1.458 3.907 3.836) 5.666 3.318 ( -3.149 -3.430 -6.281) 7.819 3.397 ( 8.444 3.126 -2.906) 9.461 3.488 ( -1.404 2.604 0.504) 3.001 3.771 ( -0.076 -6.905 -5.680) 8.941 3.990 ( 0.747 3.265 -2.362) 4.098 4.139 ( -3.427 -1.552 6.738) 7.717 4.363 ( 1.551 -0.961 0.756) 1.975 4.454 ( 0.648 3.901 2.101) 4.478 4.634 ( -0.943 -1.277 0.378) 1.632 4.656 ( 0.616 -4.419 1.410) 4.679 4.842 ( -0.173 -1.552 -2.012) 2.547 5.052 ( 4.651 0.585 1.531) 4.932 5.205 ( -4.228 2.420 -2.132) 5.318 5.642 ( -0.671 2.221 10.111) 10.373 5.996 ( -0.832 1.039 0.500) 1.422 6.129 ( -3.290 3.066 2.272) 5.038 6.313 ( 2.562 -1.729 -1.331) 3.365 6.478 ( -0.335 -1.640 -1.149) 2.031 6.593 ( -3.038 1.579 -0.853) 3.529 6.640 ( 3.771 2.345 2.059) 4.895 7.064 ( 1.105 -7.113 -3.014) 7.804 7.339 ( -1.738 -1.183 -1.011) 2.333 7.410 ( 1.167 -0.963 2.926) 3.294 7.491 ( -0.484 10.958 2.483) 11.246 8.073 ( -0.759 -0.823 -1.447) 1.830 8.137 ( 2.545 -3.151 -0.817) 4.132 8.506 ( -0.573 -2.090 -3.334) 3.977 9.289 ( -0.121 -0.235 0.140) 0.299 9.339 ( -0.398 2.225 -1.852) 2.922 ======================= Grid point 110 (48/160) ======================= q-point: (-0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -1.697 11.930 5.891) 13.413 1.493 ( 0.701 7.629 -3.570) 8.453 1.798 ( -2.554 -0.905 -0.552) 2.766 1.946 ( 1.643 -4.472 4.593) 6.618 2.043 ( 0.347 -5.151 -0.781) 5.221 2.310 ( -3.862 -2.910 -6.067) 7.759 2.484 ( 2.400 2.783 2.842) 4.646 2.539 ( 1.445 -2.582 -9.527) 9.976 2.590 ( 0.922 6.023 3.808) 7.185 2.780 ( 1.366 1.228 -0.939) 2.063 2.938 ( 0.101 4.501 -0.545) 4.535 3.022 ( 0.061 1.849 6.280) 6.547 3.054 ( 0.206 -3.265 2.173) 3.928 3.270 ( 0.201 5.525 -3.145) 6.361 3.458 ( -0.459 -0.070 0.407) 0.617 3.467 ( 3.737 -4.345 -7.030) 9.070 3.838 ( -2.720 -0.170 -8.311) 8.746 3.960 ( 0.554 -2.621 -3.966) 4.787 4.172 ( -0.862 -2.770 5.061) 5.834 4.381 ( -0.429 -0.116 0.744) 0.866 4.417 ( 0.841 0.888 3.780) 3.973 4.636 ( -1.194 0.390 0.649) 1.414 4.706 ( -2.527 -2.854 -1.563) 4.120 4.904 ( 1.704 -3.061 -2.277) 4.178 5.101 ( 5.893 -1.932 4.840) 7.867 5.134 ( -5.838 0.865 -2.295) 6.332 5.619 ( -0.705 0.945 9.448) 9.522 5.969 ( 0.247 1.702 0.523) 1.798 6.063 ( -0.694 2.965 2.662) 4.045 6.362 ( 0.866 -2.293 -0.525) 2.507 6.494 ( 0.126 -0.158 -1.064) 1.083 6.537 ( -1.387 2.461 0.956) 2.982 6.650 ( 1.734 -0.775 -0.429) 1.947 7.135 ( 1.370 0.633 -4.338) 4.593 7.301 ( 1.505 7.956 -0.127) 8.098 7.353 ( -2.363 -0.836 -0.540) 2.565 7.510 ( -0.876 -8.682 6.489) 10.875 8.074 ( -2.148 -0.985 -3.210) 3.986 8.195 ( 1.397 -1.696 -0.157) 2.203 8.540 ( 0.138 -2.252 -4.397) 4.942 9.283 ( 0.032 0.902 -0.805) 1.209 9.319 ( 1.233 0.061 1.091) 1.648 ======================= Grid point 111 (49/160) ======================= q-point: (-0.11 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.157 15.204 5.393) 16.133 1.216 ( -2.156 20.257 -2.374) 20.510 1.791 ( -2.598 -2.846 2.048) 4.364 2.021 ( 3.413 3.350 8.780) 9.998 2.120 ( -5.466 -0.028 -3.437) 6.457 2.302 ( 0.378 -1.995 1.223) 2.370 2.407 ( 0.501 3.984 2.166) 4.562 2.489 ( 2.321 2.736 4.482) 5.741 2.644 ( 2.290 -4.714 -5.925) 7.910 2.806 ( 3.278 1.816 -4.476) 5.838 2.916 ( -1.663 2.347 2.994) 4.152 2.936 ( 2.533 0.603 5.460) 6.049 3.133 ( 1.478 -0.540 -0.696) 1.721 3.220 ( -0.841 -3.299 1.807) 3.855 3.452 ( 2.113 1.986 -3.505) 4.549 3.529 ( -0.651 -0.756 -4.635) 4.741 3.810 ( -0.533 -1.837 -8.871) 9.075 4.022 ( -2.054 -4.199 -7.166) 8.556 4.229 ( 0.570 -3.312 1.965) 3.893 4.356 ( -0.645 2.283 0.527) 2.430 4.430 ( -0.614 -0.791 4.655) 4.762 4.608 ( -1.481 1.355 0.225) 2.020 4.732 ( -2.652 -2.626 -5.325) 6.502 4.930 ( -0.430 0.059 -1.032) 1.119 5.092 ( -6.326 -1.501 -2.989) 7.156 5.215 ( 6.029 -4.433 3.960) 8.466 5.621 ( 0.387 -0.304 8.779) 8.793 5.953 ( 3.173 1.325 1.385) 3.706 6.019 ( 2.069 2.847 1.896) 3.997 6.400 ( -1.473 -2.167 -0.201) 2.628 6.452 ( 0.353 3.892 0.781) 3.986 6.532 ( -0.051 -1.412 -0.331) 1.451 6.678 ( 0.922 -0.877 -0.729) 1.467 7.025 ( -1.423 8.154 -1.046) 8.343 7.277 ( 3.114 -1.083 -2.958) 4.430 7.354 ( -0.120 -0.314 -0.341) 0.479 7.676 ( -1.797 -9.883 5.439) 11.423 8.071 ( -2.240 -0.978 -4.404) 5.037 8.218 ( -2.045 -1.385 -0.892) 2.626 8.566 ( -1.354 -1.206 -2.706) 3.257 9.271 ( 0.683 0.621 0.087) 0.928 9.354 ( 2.914 -2.119 3.941) 5.340 ======================= Grid point 115 (50/160) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 18.991 0.000 8.649) 20.867 1.215 ( 13.256 0.000 17.076) 21.617 1.502 ( -13.843 -0.000 1.932) 13.977 1.791 ( 5.165 0.000 3.173) 6.062 2.104 ( -2.805 -0.000 5.621) 6.282 2.270 ( 2.258 0.000 -6.075) 6.481 2.285 ( 3.469 0.000 1.153) 3.656 2.445 ( 0.824 0.000 4.081) 4.163 2.677 ( -4.918 -0.000 -2.221) 5.397 2.849 ( 3.104 0.000 4.302) 5.304 2.916 ( 0.734 0.000 -1.300) 1.493 2.941 ( -10.317 -0.000 -0.699) 10.340 3.093 ( -8.849 -0.000 -5.319) 10.325 3.196 ( -2.941 -0.000 -4.608) 5.467 3.466 ( 5.422 0.000 2.020) 5.786 3.471 ( -0.859 -0.000 8.425) 8.468 3.844 ( -4.521 -0.000 -1.426) 4.741 3.873 ( -4.493 -0.000 3.587) 5.749 4.265 ( -0.224 -0.000 0.378) 0.440 4.366 ( -1.177 -0.000 -0.786) 1.416 4.387 ( 1.392 0.000 -5.348) 5.526 4.482 ( 3.722 0.000 -1.519) 4.020 4.859 ( 3.772 0.000 -5.846) 6.958 5.025 ( -2.113 -0.000 -0.025) 2.113 5.053 ( 7.197 0.000 -5.575) 9.104 5.329 ( 0.917 0.000 -8.406) 8.455 5.770 ( -1.604 -0.000 7.355) 7.528 5.867 ( 7.178 0.000 2.518) 7.607 6.251 ( -7.595 -0.000 -0.413) 7.607 6.344 ( -1.289 -0.000 -5.349) 5.502 6.399 ( 3.767 0.000 2.516) 4.530 6.639 ( -0.357 -0.000 -2.432) 2.458 6.823 ( 2.746 0.000 -0.981) 2.916 6.917 ( -3.456 -0.000 -1.264) 3.680 7.195 ( 6.360 0.000 -4.521) 7.804 7.567 ( 2.171 0.000 0.096) 2.173 7.912 ( -3.681 -0.000 6.065) 7.095 8.010 ( -2.984 -0.000 12.303) 12.660 8.054 ( 1.833 0.000 -4.800) 5.138 8.440 ( -3.395 -0.000 3.301) 4.735 9.263 ( -0.606 -0.000 1.024) 1.190 9.502 ( -5.454 -0.000 -0.841) 5.518 ======================= Grid point 116 (51/160) ======================= q-point: ( 0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 14.871 -2.165 8.237) 17.137 1.366 ( 11.840 -3.468 10.718) 16.343 1.456 ( -9.128 -5.766 3.264) 11.279 1.851 ( -1.918 -4.137 -0.116) 4.561 2.086 ( -5.030 -1.648 3.566) 6.382 2.196 ( 2.528 5.068 -3.225) 6.518 2.275 ( 0.061 3.786 -4.112) 5.589 2.518 ( -6.258 5.311 -0.205) 8.210 2.636 ( 8.643 -5.730 5.457) 11.718 2.843 ( 0.630 0.943 -0.473) 1.229 2.873 ( -3.780 -2.433 -0.462) 4.519 2.999 ( -1.990 -5.059 0.085) 5.437 3.047 ( -8.408 -1.931 -1.730) 8.799 3.200 ( -3.709 -3.096 -6.910) 8.431 3.480 ( 2.652 -0.594 5.599) 6.224 3.546 ( 4.865 -3.259 4.811) 7.579 3.722 ( -3.280 5.651 -0.242) 6.538 3.929 ( -4.100 -4.399 3.845) 7.138 4.257 ( -0.544 0.784 -0.089) 0.958 4.342 ( -0.204 1.688 -0.691) 1.835 4.391 ( 0.827 -0.547 -4.246) 4.360 4.527 ( 2.965 -1.841 -0.802) 3.581 4.831 ( 2.336 4.961 -5.426) 7.714 4.985 ( -2.255 2.671 0.459) 3.526 5.090 ( 6.524 1.126 -4.801) 8.177 5.319 ( 0.199 0.629 -8.681) 8.706 5.759 ( -1.339 1.161 8.052) 8.245 5.944 ( 6.287 -2.106 1.358) 6.768 6.209 ( -6.787 -1.443 0.423) 6.952 6.327 ( -2.028 0.010 -5.100) 5.488 6.438 ( 3.855 0.374 3.152) 4.993 6.623 ( 0.572 -0.195 -1.790) 1.889 6.769 ( 0.399 4.580 -3.165) 5.582 6.875 ( -2.827 2.802 2.273) 4.584 7.273 ( 3.327 -3.555 -3.521) 6.009 7.557 ( 1.458 2.518 -0.612) 2.973 7.910 ( -1.769 -1.188 1.742) 2.752 7.962 ( -0.856 3.646 8.508) 9.296 8.074 ( 2.366 0.154 0.140) 2.375 8.425 ( -3.492 -0.931 2.731) 4.530 9.263 ( -0.677 -0.463 0.556) 0.991 9.456 ( -3.978 0.788 -2.102) 4.568 ======================= Grid point 117 (52/160) ======================= q-point: ( 0.56 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 8.720 -5.019 6.773) 12.129 1.455 ( -4.214 -5.989 -0.144) 7.325 1.602 ( 9.958 -4.026 8.548) 13.727 1.872 ( -1.364 -0.760 -0.269) 1.584 2.089 ( -5.438 0.626 -1.026) 5.570 2.176 ( -0.605 -1.475 -1.197) 1.993 2.220 ( 2.033 -1.888 -2.784) 3.931 2.365 ( -5.801 2.581 0.420) 6.363 2.770 ( 2.046 0.122 0.281) 2.069 2.853 ( 0.526 -1.055 1.306) 1.759 2.938 ( 1.314 -7.065 -4.918) 8.708 3.021 ( -7.439 -1.859 0.891) 7.720 3.058 ( -3.169 -3.526 -0.279) 4.749 3.216 ( -1.582 -1.510 -7.106) 7.435 3.522 ( 1.970 -0.914 4.466) 4.966 3.606 ( 0.593 4.039 0.791) 4.158 3.653 ( 6.273 -0.524 -0.657) 6.329 3.965 ( -2.810 -2.901 6.271) 7.459 4.213 ( -1.816 3.437 -2.954) 4.883 4.329 ( 0.910 -0.402 2.184) 2.400 4.432 ( 1.326 -3.889 -1.841) 4.502 4.578 ( 1.893 -1.791 0.262) 2.619 4.721 ( 0.235 7.606 -3.461) 8.360 4.910 ( -1.484 3.875 0.159) 4.152 5.101 ( 4.920 1.936 -2.377) 5.797 5.288 ( -1.140 1.674 -7.643) 7.907 5.721 ( -3.034 2.170 8.215) 9.022 6.016 ( 4.681 -0.884 1.307) 4.940 6.190 ( -4.613 -0.536 1.339) 4.833 6.304 ( -1.201 0.359 -4.894) 5.052 6.434 ( 2.992 1.812 2.298) 4.185 6.656 ( -2.855 1.752 -3.158) 4.604 6.729 ( 1.223 -5.175 -0.138) 5.319 6.803 ( -0.518 3.429 3.653) 5.037 7.330 ( 0.759 -1.394 -1.062) 1.910 7.503 ( 0.808 4.337 -1.188) 4.569 7.843 ( 1.603 7.913 2.482) 8.446 7.981 ( -0.520 -4.514 0.199) 4.548 8.082 ( 2.395 0.911 2.654) 3.690 8.430 ( -2.750 -2.049 1.059) 3.589 9.269 ( -0.585 -0.722 0.127) 0.938 9.410 ( -2.836 1.299 -3.008) 4.333 ======================= Grid point 118 (53/160) ======================= q-point: (-0.33 -0.67 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 6.421 -6.045 5.834) 10.573 1.531 ( -6.216 -6.110 -0.447) 8.728 1.664 ( 8.797 3.538 5.202) 10.815 1.913 ( 3.069 1.453 0.002) 3.396 1.986 ( -5.759 -1.471 -1.174) 6.058 2.246 ( -2.161 -3.801 -3.759) 5.766 2.316 ( 1.994 -4.674 -0.012) 5.082 2.375 ( 2.224 -6.483 -2.042) 7.152 2.725 ( -3.230 4.134 0.768) 5.302 2.863 ( -0.356 -0.900 -2.986) 3.139 2.991 ( -4.004 -0.883 2.217) 4.661 3.035 ( -3.582 -0.918 -2.350) 4.381 3.079 ( -3.213 -2.708 -4.387) 6.075 3.216 ( -2.099 -1.833 -8.158) 8.621 3.535 ( 2.388 2.069 5.427) 6.279 3.561 ( 7.932 4.133 -2.702) 9.344 3.688 ( 1.919 -0.696 -1.585) 2.584 4.017 ( 0.820 -2.400 5.287) 5.863 4.121 ( -3.720 3.464 -0.774) 5.142 4.361 ( 1.617 -1.199 1.580) 2.559 4.513 ( 0.180 -1.432 0.803) 1.652 4.600 ( -0.526 2.753 -1.217) 3.056 4.623 ( 2.037 -1.719 1.082) 2.877 4.848 ( 0.631 2.178 -0.108) 2.270 5.096 ( 2.566 1.517 0.399) 3.007 5.225 ( -2.637 3.041 -6.004) 7.228 5.663 ( -4.582 1.809 8.079) 9.462 6.041 ( 4.225 1.775 2.080) 5.033 6.152 ( -2.822 1.688 1.429) 3.586 6.302 ( 0.464 -0.883 -2.404) 2.603 6.447 ( 0.897 -1.134 -0.428) 1.508 6.581 ( -4.492 1.422 -1.864) 5.067 6.736 ( 2.322 4.227 3.162) 5.768 6.905 ( 0.894 -10.464 0.349) 10.508 7.334 ( -0.641 0.797 -1.765) 2.040 7.436 ( 0.633 2.941 0.906) 3.142 7.691 ( 0.940 10.730 2.932) 11.163 8.048 ( -0.327 -1.884 -3.285) 3.801 8.105 ( 2.979 -2.102 2.662) 4.514 8.456 ( -1.171 -2.540 -1.418) 3.136 9.279 ( -0.373 -0.717 -0.098) 0.814 9.363 ( -1.926 1.583 -3.169) 4.032 ======================= Grid point 119 (54/160) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -2.774 4.563 1.968) 5.691 1.585 ( 6.200 1.252 2.815) 6.924 1.748 ( 5.236 -5.601 3.206) 8.310 1.865 ( -2.182 -0.675 1.659) 2.823 2.031 ( -1.800 -1.176 -1.460) 2.599 2.231 ( -3.890 0.044 -5.137) 6.444 2.425 ( 1.679 -5.868 -7.237) 9.467 2.548 ( 9.137 -5.939 -0.368) 10.904 2.607 ( -6.113 2.978 -0.124) 6.801 2.858 ( -0.782 3.540 -0.721) 3.696 2.968 ( -0.190 -0.491 2.113) 2.177 3.009 ( -3.866 -1.264 -0.509) 4.099 3.064 ( -1.907 2.002 -0.404) 2.794 3.244 ( -5.159 -3.757 -6.665) 9.228 3.506 ( 3.078 3.036 2.429) 4.959 3.533 ( 9.718 5.941 -3.517) 11.921 3.741 ( -2.057 -4.824 -5.855) 7.860 3.993 ( 0.237 4.050 -2.805) 4.932 4.117 ( -1.196 -3.487 7.957) 8.769 4.379 ( 0.346 0.124 0.514) 0.632 4.462 ( -0.340 3.112 2.259) 3.861 4.620 ( -0.179 -1.802 0.288) 1.833 4.661 ( -0.405 -0.651 0.335) 0.837 4.868 ( 3.128 -2.523 -0.470) 4.046 5.090 ( -2.265 0.205 0.933) 2.458 5.149 ( -0.183 2.318 -1.497) 2.765 5.615 ( -4.638 0.449 7.933) 9.200 6.033 ( 4.809 2.926 1.390) 5.799 6.107 ( -0.431 2.010 2.377) 3.143 6.326 ( -0.730 -1.839 -0.470) 2.033 6.473 ( -0.138 -1.454 -1.851) 2.358 6.543 ( -2.687 0.151 -0.458) 2.730 6.690 ( 1.710 2.810 1.869) 3.783 7.081 ( 1.843 -7.375 -2.279) 7.936 7.312 ( -1.527 -0.578 -1.912) 2.514 7.428 ( 0.274 -1.286 4.202) 4.403 7.497 ( 0.625 11.925 1.897) 12.091 8.048 ( -1.510 -0.046 -1.262) 1.968 8.173 ( 1.807 -2.287 -0.982) 3.076 8.495 ( 0.221 -2.527 -3.336) 4.191 9.287 ( -0.169 -0.306 -0.234) 0.421 9.329 ( -0.491 0.638 -1.955) 2.115 ======================= Grid point 120 (55/160) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 1.142 10.907 2.757) 11.308 1.518 ( 2.440 13.583 -1.929) 13.935 1.742 ( -3.975 0.587 -1.557) 4.309 1.978 ( 1.975 -5.012 3.843) 6.617 2.043 ( -1.193 -5.459 -0.971) 5.671 2.241 ( -3.016 -3.914 -2.274) 5.439 2.509 ( -1.826 -2.040 -7.925) 8.385 2.512 ( 1.374 3.293 2.609) 4.420 2.657 ( 3.760 3.447 3.195) 6.019 2.828 ( 5.070 -2.390 -3.162) 6.435 2.937 ( -0.211 2.677 0.740) 2.785 3.009 ( -1.185 2.588 4.565) 5.380 3.079 ( 1.649 -5.385 2.779) 6.280 3.199 ( -6.709 2.317 -1.915) 7.352 3.497 ( 3.820 1.636 -1.192) 4.323 3.533 ( 5.468 0.367 -6.490) 8.495 3.764 ( -4.061 -1.825 -9.630) 10.609 3.960 ( 0.697 -0.283 -2.675) 2.779 4.179 ( 0.283 -3.059 5.233) 6.068 4.369 ( -1.515 0.520 0.945) 1.860 4.433 ( -0.122 0.813 4.199) 4.279 4.618 ( -1.302 1.124 -0.657) 1.841 4.673 ( -0.640 -1.767 -1.494) 2.401 4.922 ( 0.774 -1.061 -0.785) 1.530 5.034 ( -6.048 0.606 -3.084) 6.816 5.189 ( 4.161 -3.267 5.242) 7.448 5.601 ( -3.235 -1.245 7.936) 8.660 6.025 ( 6.205 2.484 1.200) 6.790 6.078 ( 1.416 2.101 2.029) 3.246 6.347 ( -2.936 -2.042 0.424) 3.601 6.492 ( 0.291 -0.675 -1.360) 1.546 6.518 ( -1.008 1.063 0.496) 1.546 6.675 ( 1.022 0.110 0.218) 1.051 7.130 ( -0.958 3.193 -4.334) 5.468 7.317 ( 0.751 3.637 -0.286) 3.725 7.347 ( 1.687 0.629 0.340) 1.832 7.509 ( -0.825 -7.639 5.328) 9.350 8.036 ( -2.035 -0.409 -1.374) 2.489 8.196 ( -0.732 -0.195 -3.061) 3.154 8.532 ( -0.018 -1.712 -3.000) 3.454 9.283 ( 0.203 0.404 -0.369) 0.584 9.339 ( 1.000 -1.534 0.528) 1.906 ======================= Grid point 125 (56/160) ======================= q-point: ( 0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 12.506 0.000 10.781) 16.512 1.306 ( -12.923 -0.000 1.233) 12.981 1.429 ( 10.551 0.000 14.750) 18.135 1.803 ( 0.305 0.000 -2.087) 2.109 2.012 ( -7.296 -0.000 0.593) 7.320 2.299 ( 3.822 0.000 -7.288) 8.229 2.314 ( 0.517 0.000 -4.755) 4.783 2.576 ( -6.962 -0.000 -4.708) 8.405 2.599 ( 3.871 0.000 6.754) 7.785 2.770 ( -4.393 -0.000 5.421) 6.977 2.887 ( -0.377 -0.000 2.220) 2.252 2.925 ( 0.750 0.000 -2.536) 2.645 2.979 ( -3.677 -0.000 -0.872) 3.779 3.128 ( -4.314 -0.000 -5.915) 7.321 3.484 ( 0.537 0.000 10.253) 10.267 3.571 ( 7.687 0.000 1.396) 7.813 3.807 ( -0.517 -0.000 0.780) 0.935 3.814 ( -4.443 -0.000 7.735) 8.920 4.265 ( 0.164 0.000 1.106) 1.119 4.353 ( -0.594 -0.000 -2.246) 2.323 4.388 ( 0.409 0.000 -5.149) 5.165 4.534 ( 3.077 0.000 -0.387) 3.101 4.883 ( 0.983 0.000 -7.423) 7.488 5.002 ( -0.609 -0.000 1.328) 1.461 5.141 ( 5.614 0.000 -4.872) 7.433 5.316 ( -0.027 -0.000 -10.989) 10.989 5.771 ( -0.552 -0.000 8.190) 8.208 5.979 ( 6.684 0.000 1.326) 6.814 6.139 ( -6.790 -0.000 0.729) 6.829 6.304 ( -2.661 -0.000 -3.858) 4.687 6.467 ( 4.476 0.000 3.325) 5.576 6.629 ( -0.165 -0.000 -2.693) 2.698 6.839 ( -6.146 -0.000 -3.819) 7.236 6.844 ( 0.328 0.000 -1.804) 1.834 7.263 ( 3.909 0.000 -2.994) 4.924 7.586 ( 0.356 0.000 -0.403) 0.538 7.872 ( -2.818 -0.000 7.619) 8.123 8.027 ( 1.206 0.000 10.209) 10.280 8.092 ( 4.146 0.000 -2.793) 4.999 8.394 ( -3.449 -0.000 2.711) 4.387 9.253 ( -0.801 -0.000 0.245) 0.838 9.426 ( -4.373 -0.000 -3.608) 5.669 ======================= Grid point 126 (57/160) ======================= q-point: (-0.44 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -10.409 -4.513 2.936) 11.719 1.349 ( 3.373 -2.289 9.242) 10.101 1.584 ( 8.094 -6.301 12.357) 16.060 1.841 ( 2.663 -2.388 -1.940) 4.069 2.001 ( -2.823 -3.358 -1.870) 4.769 2.255 ( 2.012 4.193 -4.439) 6.429 2.275 ( 3.486 5.444 -3.585) 7.392 2.394 ( -8.919 6.321 1.324) 11.012 2.680 ( -15.519 -9.013 -2.399) 18.106 2.796 ( 7.732 0.272 1.761) 7.935 2.895 ( 1.303 0.161 -1.633) 2.095 2.942 ( -2.099 -1.969 -3.901) 4.848 3.000 ( -1.435 -2.501 5.439) 6.156 3.155 ( 0.938 -4.769 -6.197) 7.875 3.519 ( 1.983 -1.079 7.358) 7.696 3.643 ( 5.471 -1.510 2.529) 6.213 3.727 ( 3.596 3.395 3.923) 6.313 3.887 ( -2.419 -4.221 6.054) 7.766 4.251 ( -0.257 2.076 -0.707) 2.208 4.335 ( -0.715 0.680 -0.681) 1.199 4.392 ( 0.695 -1.147 -4.261) 4.467 4.567 ( 1.988 -1.360 0.436) 2.447 4.829 ( -1.029 5.104 -6.516) 8.341 4.975 ( 1.141 3.183 0.728) 3.459 5.161 ( 3.806 1.271 -2.919) 4.962 5.295 ( -0.643 0.818 -11.340) 11.387 5.750 ( -2.093 2.617 7.838) 8.524 6.029 ( 2.062 -1.632 1.505) 3.030 6.133 ( -1.074 -2.303 1.451) 2.926 6.282 ( -2.670 -0.270 -3.872) 4.711 6.508 ( 4.495 1.119 3.311) 5.693 6.628 ( 0.665 -1.778 -2.055) 2.797 6.706 ( -6.413 5.200 -5.360) 9.844 6.856 ( -1.151 0.860 0.480) 1.515 7.306 ( 1.808 -1.913 -2.046) 3.334 7.565 ( -0.311 2.259 -0.890) 2.448 7.893 ( -0.672 -2.898 2.441) 3.848 7.997 ( 2.630 5.041 8.737) 10.425 8.123 ( 3.707 0.643 2.076) 4.297 8.381 ( -2.786 -1.144 1.879) 3.550 9.252 ( -0.740 -0.549 -0.073) 0.924 9.390 ( -4.044 -0.005 -4.604) 6.127 ======================= Grid point 127 (58/160) ======================= q-point: (-0.33 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -8.687 -9.463 3.161) 13.229 1.441 ( 0.888 -5.553 7.874) 9.676 1.723 ( 0.629 -3.276 5.853) 6.736 1.892 ( 3.229 -1.133 0.858) 3.528 2.035 ( 3.205 2.673 -3.404) 5.385 2.206 ( 3.353 -0.287 0.580) 3.415 2.274 ( 4.534 -3.348 -0.829) 5.697 2.295 ( -2.647 0.317 -0.785) 2.779 2.705 ( -14.586 -6.400 -1.275) 15.979 2.792 ( -0.319 0.934 1.217) 1.566 2.945 ( -1.343 -0.191 -4.561) 4.758 2.969 ( 1.328 -5.470 -7.880) 9.684 3.003 ( -4.640 -0.711 2.958) 5.549 3.205 ( 0.920 0.808 -6.957) 7.064 3.558 ( 3.767 -0.908 4.813) 6.179 3.665 ( 3.664 1.942 5.347) 6.766 3.755 ( 7.222 2.050 -3.212) 8.166 3.958 ( 0.488 -4.602 9.276) 10.366 4.177 ( -2.112 4.820 -4.128) 6.688 4.342 ( 0.156 -1.712 2.662) 3.169 4.446 ( 1.401 -4.323 -1.885) 4.920 4.606 ( 1.322 -1.547 1.029) 2.281 4.698 ( -1.846 6.957 -3.959) 8.214 4.921 ( 2.603 4.287 0.066) 5.016 5.145 ( 1.116 2.385 -0.277) 2.647 5.251 ( -1.249 2.203 -9.928) 10.246 5.676 ( -4.672 3.167 6.787) 8.827 6.072 ( -0.004 -2.080 3.728) 4.269 6.163 ( 2.352 0.735 0.232) 2.475 6.274 ( -1.480 -1.348 -3.294) 3.854 6.480 ( 1.938 3.596 0.333) 4.099 6.579 ( -5.006 2.743 -3.471) 6.681 6.734 ( -0.323 -7.724 1.133) 7.813 6.818 ( 0.983 2.079 1.659) 2.835 7.332 ( -0.299 -0.387 -1.306) 1.394 7.504 ( -0.531 3.825 -0.422) 3.885 7.872 ( 1.126 7.545 2.699) 8.092 8.000 ( 3.157 -3.168 0.406) 4.491 8.126 ( 2.379 1.493 4.822) 5.580 8.402 ( -0.926 -2.561 0.495) 2.768 9.260 ( -0.524 -0.878 -0.317) 1.071 9.355 ( -3.531 0.257 -4.698) 5.883 ======================= Grid point 128 (59/160) ======================= q-point: (-0.22 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -6.832 -8.765 2.799) 11.460 1.576 ( 4.387 -6.788 9.046) 12.130 1.732 ( -2.689 -0.564 0.501) 2.792 1.904 ( -1.118 2.421 -2.330) 3.541 2.010 ( 8.278 2.471 2.470) 8.985 2.229 ( -0.473 1.324 -1.818) 2.298 2.337 ( 2.789 -5.536 -3.326) 7.035 2.449 ( 5.745 -9.328 -0.977) 10.999 2.655 ( -4.779 3.181 0.760) 5.791 2.809 ( -8.376 -5.696 1.166) 10.196 2.930 ( 0.365 0.086 -4.878) 4.893 2.979 ( -4.172 -0.023 1.832) 4.556 3.039 ( -0.722 -2.920 -6.931) 7.555 3.158 ( -3.508 0.515 -8.256) 8.985 3.592 ( 3.233 2.692 4.781) 6.369 3.678 ( 2.957 -1.194 -0.525) 3.232 3.721 ( 6.956 6.312 -3.204) 9.924 4.054 ( -0.886 -3.079 7.217) 7.896 4.064 ( 0.151 4.097 -3.481) 5.378 4.379 ( 0.212 -1.121 2.119) 2.407 4.500 ( -1.963 0.838 0.961) 2.341 4.601 ( 1.249 0.353 -1.199) 1.767 4.654 ( 2.175 -1.305 0.907) 2.694 4.882 ( 3.011 1.846 0.313) 3.546 5.097 ( -2.356 2.589 -1.055) 3.656 5.189 ( -0.290 2.595 -3.988) 4.767 5.601 ( -5.135 1.628 6.434) 8.392 6.104 ( 0.445 -0.695 4.832) 4.902 6.143 ( 3.424 3.117 -1.215) 4.787 6.287 ( -2.243 -1.272 -0.953) 2.749 6.451 ( -0.345 -0.273 -2.184) 2.228 6.528 ( -1.555 0.548 -0.191) 1.660 6.744 ( -1.397 2.371 1.633) 3.200 6.936 ( 2.770 -9.617 0.781) 10.039 7.310 ( -1.844 1.418 -3.250) 3.996 7.446 ( 0.055 2.141 2.163) 3.044 7.712 ( 0.630 11.305 3.701) 11.912 8.050 ( 1.466 0.291 -1.134) 1.876 8.146 ( 1.919 -1.806 0.866) 2.773 8.451 ( 1.111 -2.757 -1.257) 3.228 9.273 ( -0.245 -0.906 -0.392) 1.018 9.324 ( -2.329 0.135 -3.695) 4.370 ======================= Grid point 129 (60/160) ======================= q-point: (-0.11 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -2.530 0.776 2.371) 3.553 1.682 ( 4.483 0.487 1.432) 4.731 1.782 ( -5.920 4.944 -2.554) 8.125 1.835 ( 3.427 -6.638 6.788) 10.094 2.026 ( 0.740 0.298 -2.257) 2.394 2.190 ( 0.337 1.575 -1.992) 2.562 2.430 ( 0.321 -3.754 -8.781) 9.555 2.554 ( -0.579 0.371 3.545) 3.611 2.684 ( 8.396 -5.139 -0.910) 9.886 2.825 ( -4.150 -1.006 1.228) 4.443 2.925 ( -3.399 -2.381 -2.737) 4.971 2.992 ( 0.261 -2.017 0.333) 2.061 3.048 ( 0.638 -0.120 -0.446) 0.787 3.139 ( -6.582 -2.344 -4.310) 8.209 3.550 ( 1.476 2.635 -0.494) 3.060 3.635 ( 1.081 5.542 -4.547) 7.249 3.721 ( 4.639 1.012 -5.198) 7.040 3.982 ( -0.990 1.689 -1.989) 2.791 4.138 ( 1.605 -2.859 6.813) 7.561 4.377 ( -0.780 1.156 1.501) 2.049 4.450 ( -1.815 1.501 2.360) 3.334 4.628 ( 0.554 -0.251 0.170) 0.631 4.669 ( 2.264 0.945 0.341) 2.477 4.906 ( 1.666 -1.488 -0.085) 2.236 5.018 ( -4.933 2.645 -3.844) 6.790 5.179 ( 2.314 -0.957 4.050) 4.761 5.564 ( -3.721 -0.495 6.643) 7.630 6.109 ( -0.316 0.728 3.876) 3.956 6.124 ( 6.212 2.760 -0.745) 6.838 6.286 ( -4.561 -1.758 0.816) 4.955 6.469 ( 0.364 -1.481 -1.992) 2.509 6.520 ( -0.501 -0.151 0.127) 0.539 6.698 ( -0.709 1.878 0.604) 2.096 7.104 ( 1.599 -5.678 -2.913) 6.579 7.285 ( -1.306 -1.905 -1.888) 2.983 7.436 ( -0.403 -0.577 4.780) 4.831 7.512 ( 0.500 11.328 1.938) 11.504 8.036 ( 0.407 1.359 0.713) 1.588 8.182 ( 0.132 -0.929 -3.352) 3.480 8.502 ( 1.475 -1.935 -2.623) 3.578 9.284 ( -0.028 -0.378 -0.302) 0.485 9.316 ( -0.611 -1.131 -1.957) 2.342 ======================= Grid point 135 (61/160) ======================= q-point: (-0.44 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -14.042 -0.000 3.029) 14.365 1.334 ( -7.540 -0.000 12.607) 14.689 1.591 ( 7.715 0.000 11.864) 14.152 1.860 ( 7.542 0.000 -1.548) 7.699 1.962 ( 2.784 0.000 -4.199) 5.038 2.274 ( -12.005 -0.000 1.787) 12.137 2.349 ( 3.980 0.000 -8.237) 9.148 2.401 ( -11.654 -0.000 1.360) 11.733 2.471 ( -4.974 -0.000 -2.862) 5.738 2.848 ( -1.494 -0.000 -7.278) 7.430 2.926 ( 6.941 0.000 5.559) 8.893 2.944 ( 0.951 0.000 3.296) 3.431 2.974 ( 1.128 0.000 1.430) 1.821 3.083 ( 3.157 0.000 -5.958) 6.743 3.532 ( 2.723 0.000 10.786) 11.124 3.672 ( 3.956 0.000 -1.201) 4.134 3.800 ( 1.572 0.000 11.602) 11.708 3.830 ( 3.274 0.000 1.812) 3.741 4.277 ( 1.212 0.000 1.468) 1.903 4.330 ( -1.798 -0.000 -2.913) 3.423 4.384 ( 0.632 0.000 -5.146) 5.185 4.561 ( 0.313 0.000 0.422) 0.526 4.859 ( -1.776 -0.000 -7.435) 7.644 5.022 ( 2.882 0.000 1.051) 3.067 5.191 ( 2.010 0.000 -2.961) 3.579 5.282 ( -1.111 -0.000 -13.310) 13.357 5.784 ( -0.260 -0.000 8.913) 8.917 5.979 ( -7.152 -0.000 1.173) 7.248 6.142 ( 6.862 0.000 1.268) 6.978 6.253 ( -3.108 -0.000 -3.349) 4.569 6.542 ( 4.182 0.000 4.293) 5.993 6.625 ( 0.455 0.000 -2.820) 2.857 6.726 ( -6.929 -0.000 -8.322) 10.829 6.825 ( -2.077 -0.000 -2.637) 3.357 7.298 ( 1.407 0.000 -1.732) 2.231 7.574 ( -1.793 -0.000 -0.993) 2.050 7.863 ( -0.278 -0.000 5.373) 5.380 8.085 ( 3.431 0.000 14.647) 15.044 8.161 ( 5.405 0.000 -0.825) 5.468 8.353 ( -2.625 -0.000 1.898) 3.240 9.242 ( -0.711 -0.000 -0.236) 0.749 9.351 ( -4.511 -0.000 -6.040) 7.539 ======================= Grid point 136 (62/160) ======================= q-point: (-0.33 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -13.137 -7.474 4.266) 15.705 1.308 ( -12.204 -5.459 9.958) 16.670 1.680 ( 3.659 -2.288 7.637) 8.772 1.918 ( 5.952 -0.497 0.289) 5.980 2.033 ( 2.348 -4.067 -3.682) 5.968 2.165 ( -9.410 -2.622 9.863) 13.882 2.320 ( 0.349 4.192 -1.151) 4.361 2.348 ( 3.151 1.971 -6.260) 7.280 2.477 ( -7.219 -4.072 -1.775) 8.476 2.865 ( 2.800 -0.056 -5.553) 6.220 2.885 ( -0.323 2.605 -0.370) 2.651 2.933 ( -0.716 0.185 -2.351) 2.465 2.975 ( -1.377 -0.627 1.807) 2.357 3.206 ( 5.116 -3.384 -4.603) 7.669 3.578 ( 3.388 -0.897 8.084) 8.811 3.691 ( 0.392 -0.818 3.815) 3.921 3.830 ( 7.721 0.613 0.723) 7.779 3.906 ( 3.989 -3.750 8.126) 9.798 4.243 ( -0.399 4.269 -2.021) 4.740 4.320 ( -0.956 -0.512 0.339) 1.136 4.401 ( 1.934 -1.999 -3.846) 4.747 4.580 ( -0.291 -2.001 0.852) 2.195 4.786 ( -2.476 5.136 -6.278) 8.481 5.016 ( 3.757 3.458 -0.231) 5.112 5.185 ( -0.193 1.439 -0.454) 1.521 5.254 ( -1.386 0.529 -13.270) 13.353 5.726 ( -3.237 5.088 7.103) 9.318 5.985 ( -5.286 -5.102 3.575) 8.170 6.204 ( 6.657 -0.268 0.427) 6.676 6.235 ( -2.438 -0.997 -3.192) 4.138 6.578 ( 0.844 5.682 -2.585) 6.299 6.582 ( -5.155 1.233 -1.480) 5.503 6.640 ( 1.771 -2.404 -1.842) 3.508 6.829 ( -2.171 -0.761 -1.450) 2.720 7.315 ( -0.171 -1.095 -1.684) 2.016 7.541 ( -2.610 1.694 -1.113) 3.305 7.897 ( 0.664 -2.499 0.196) 2.593 8.078 ( 5.522 5.029 12.421) 14.493 8.190 ( 4.291 1.881 4.684) 6.625 8.355 ( -0.900 -2.061 1.559) 2.737 9.242 ( -0.509 -0.626 -0.345) 0.878 9.314 ( -4.662 -0.498 -6.459) 7.981 ======================= Grid point 137 (63/160) ======================= q-point: (-0.22 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -9.729 -12.400 5.151) 16.582 1.385 ( -10.572 -12.066 7.194) 17.581 1.710 ( -0.814 0.014 1.812) 1.986 1.949 ( 3.392 1.598 1.079) 3.902 2.093 ( -1.038 -4.113 7.343) 8.480 2.275 ( 7.102 -4.259 0.733) 8.313 2.292 ( 3.202 3.596 0.210) 4.820 2.341 ( 2.119 -4.743 -2.875) 5.937 2.501 ( -8.887 -6.229 -1.154) 10.914 2.791 ( 0.375 4.601 0.865) 4.697 2.918 ( -3.735 -1.537 -2.353) 4.674 2.944 ( -0.805 -2.713 -3.867) 4.792 2.985 ( 3.193 -0.948 -4.570) 5.655 3.191 ( -0.889 4.858 -8.058) 9.451 3.629 ( 2.861 -1.320 5.383) 6.237 3.694 ( -1.460 1.415 4.253) 4.714 3.859 ( 8.216 2.681 -3.006) 9.150 4.022 ( 4.446 -2.866 5.904) 7.927 4.140 ( -0.931 5.479 -3.671) 6.661 4.343 ( -0.808 -2.571 2.641) 3.774 4.467 ( 1.431 -3.067 -1.205) 3.593 4.616 ( -0.134 -1.074 -0.321) 1.129 4.677 ( 1.067 3.395 -2.064) 4.114 4.964 ( 2.539 4.618 -1.787) 5.565 5.134 ( -2.125 3.238 -0.817) 3.958 5.219 ( -0.296 1.399 -7.237) 7.377 5.618 ( -4.702 3.869 5.831) 8.431 6.046 ( -3.308 -4.393 4.523) 7.121 6.208 ( -0.468 0.758 -2.529) 2.681 6.261 ( 2.266 0.076 -0.411) 2.304 6.451 ( -3.831 2.029 -4.537) 6.275 6.555 ( 1.256 2.596 0.921) 3.028 6.728 ( -0.634 -3.348 1.821) 3.863 6.836 ( 1.179 -3.217 -0.208) 3.432 7.313 ( -1.783 0.576 -2.628) 3.228 7.483 ( -2.227 2.314 0.392) 3.235 7.881 ( -0.437 6.082 2.329) 6.527 8.075 ( 6.217 0.585 0.652) 6.278 8.171 ( 2.244 2.814 5.596) 6.653 8.414 ( 2.694 -3.080 2.074) 4.588 9.254 ( -0.260 -0.977 -0.541) 1.147 9.288 ( -3.895 -0.972 -5.018) 6.426 ======================= Grid point 138 (64/160) ======================= q-point: (-0.11 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -7.383 -10.932 5.060) 14.128 1.562 ( -9.679 -13.720 1.928) 16.901 1.712 ( 4.315 -0.501 3.455) 5.550 1.921 ( 1.343 3.494 0.125) 3.745 2.135 ( 6.371 6.779 2.606) 9.661 2.227 ( 1.346 1.008 0.068) 1.683 2.376 ( 2.711 -3.178 -4.329) 6.016 2.490 ( -2.088 -7.832 6.460) 10.365 2.593 ( -3.962 -10.306 -3.423) 11.560 2.730 ( 0.918 1.618 -2.307) 2.964 2.907 ( -2.473 0.371 -0.485) 2.548 2.979 ( 3.388 -1.396 -1.660) 4.023 3.026 ( 1.043 -1.733 -5.308) 5.681 3.087 ( -3.736 2.274 -5.686) 7.174 3.619 ( -1.342 4.530 0.855) 4.802 3.657 ( -2.736 0.411 -0.095) 2.768 3.857 ( 9.366 4.848 -3.423) 11.088 3.993 ( -3.935 2.734 -2.662) 5.481 4.134 ( 4.734 -0.809 3.461) 5.920 4.378 ( -0.789 -1.192 2.404) 2.797 4.467 ( -2.567 1.919 1.525) 3.550 4.621 ( 1.109 -0.951 0.225) 1.478 4.712 ( 5.820 -0.390 -0.238) 5.838 4.911 ( 0.517 1.629 -0.623) 1.819 5.044 ( -3.213 4.159 -4.146) 6.694 5.198 ( 1.611 0.868 1.353) 2.276 5.548 ( -3.411 1.097 5.624) 6.668 6.087 ( -2.983 -2.238 3.891) 5.389 6.185 ( -2.824 0.090 -1.088) 3.028 6.253 ( 2.216 1.568 -0.083) 2.716 6.442 ( 0.067 -1.661 -1.978) 2.584 6.526 ( 0.497 1.265 0.481) 1.442 6.719 ( -1.826 1.436 0.535) 2.384 6.979 ( 2.608 -8.995 0.225) 9.368 7.269 ( -2.260 1.495 -4.439) 5.201 7.442 ( -1.371 0.996 2.441) 2.971 7.719 ( -0.891 11.241 4.708) 12.219 8.090 ( 3.826 2.563 -0.090) 4.606 8.165 ( 0.794 -0.484 -0.913) 1.303 8.486 ( 3.695 -1.807 -0.705) 4.174 9.270 ( -0.185 -1.141 -0.826) 1.421 9.284 ( -1.813 -1.332 -2.446) 3.323 ======================= Grid point 145 (65/160) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -15.466 -0.000 6.640) 16.831 1.137 ( -19.697 -0.000 8.681) 21.525 1.713 ( 5.950 0.000 9.273) 11.018 1.878 ( -25.019 -0.000 6.774) 25.919 1.964 ( 4.662 0.000 3.026) 5.558 2.145 ( 10.595 0.000 2.795) 10.957 2.335 ( -2.691 -0.000 -5.023) 5.699 2.370 ( 1.116 0.000 -2.810) 3.024 2.466 ( 3.995 0.000 -3.888) 5.575 2.816 ( -2.825 -0.000 -2.700) 3.907 2.926 ( -2.372 -0.000 -2.604) 3.523 2.972 ( 2.416 0.000 -0.570) 2.482 3.004 ( 3.491 0.000 0.906) 3.606 3.187 ( 7.257 0.000 -3.767) 8.176 3.597 ( 2.437 0.000 11.190) 11.452 3.675 ( -1.852 -0.000 0.980) 2.095 3.901 ( 6.746 0.000 7.329) 9.961 3.911 ( 6.781 0.000 1.312) 6.906 4.301 ( -0.530 -0.000 -2.668) 2.720 4.308 ( 2.413 0.000 1.046) 2.630 4.393 ( 2.431 0.000 -4.206) 4.858 4.547 ( -2.027 -0.000 0.907) 2.221 4.808 ( -2.872 -0.000 -7.425) 7.961 5.085 ( 5.128 0.000 1.239) 5.275 5.184 ( -2.353 -0.000 -3.601) 4.302 5.228 ( -2.293 -0.000 -12.569) 12.777 5.801 ( 0.122 0.000 9.195) 9.196 5.854 ( -9.571 -0.000 2.240) 9.829 6.200 ( -3.121 -0.000 -4.140) 5.184 6.256 ( 7.312 0.000 0.304) 7.318 6.546 ( -7.199 -0.000 -3.118) 7.845 6.630 ( 0.865 0.000 -2.686) 2.822 6.661 ( 3.168 0.000 -4.336) 5.370 6.784 ( -2.193 -0.000 -2.771) 3.533 7.295 ( -1.517 -0.000 -1.664) 2.252 7.528 ( -3.904 -0.000 -1.703) 4.259 7.878 ( 0.983 0.000 2.179) 2.391 8.207 ( 8.570 0.000 23.146) 24.682 8.245 ( 5.732 0.000 0.181) 5.735 8.323 ( -1.918 -0.000 1.344) 2.342 9.233 ( -0.364 -0.000 -0.196) 0.413 9.264 ( -5.316 -0.000 -7.745) 9.394 ======================= Grid point 146 (66/160) ======================= q-point: (-0.22 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -13.034 -10.368 8.278) 18.599 1.078 ( -19.172 -9.721 6.128) 22.352 1.683 ( -12.824 -1.144 10.124) 16.379 1.858 ( -8.597 -8.890 11.818) 17.106 2.019 ( 6.481 -0.712 2.267) 6.903 2.267 ( 10.788 -3.506 -0.019) 11.343 2.316 ( -0.768 -0.264 -3.862) 3.947 2.341 ( 1.147 2.070 -0.362) 2.394 2.487 ( 4.661 1.768 -2.411) 5.537 2.821 ( -5.634 -3.899 -1.499) 7.013 2.892 ( -1.325 2.346 -4.164) 4.960 2.936 ( 2.459 4.749 2.717) 5.998 3.011 ( 6.558 0.384 -4.135) 7.763 3.246 ( 1.587 0.841 -6.660) 6.898 3.628 ( 0.474 -0.454 5.738) 5.775 3.682 ( -2.220 -1.628 5.484) 6.136 3.940 ( 7.420 0.648 -1.556) 7.609 4.011 ( 5.918 -3.870 4.349) 8.301 4.244 ( 1.647 6.273 -1.800) 6.731 4.311 ( -0.319 -0.023 0.062) 0.326 4.434 ( 2.912 -2.028 -2.489) 4.335 4.573 ( -0.256 -3.260 0.838) 3.376 4.741 ( -1.291 3.452 -5.288) 6.445 5.059 ( 0.999 4.799 -4.991) 6.996 5.165 ( -1.623 1.563 0.880) 2.419 5.210 ( -0.235 -1.165 -9.169) 9.246 5.676 ( -5.538 6.080 5.428) 9.854 5.924 ( -3.915 -6.657 5.698) 9.597 6.174 ( -4.464 -0.399 -4.900) 6.641 6.306 ( 5.682 0.304 -0.244) 5.695 6.445 ( -7.568 2.479 -6.141) 10.057 6.615 ( 1.126 2.218 -1.584) 2.949 6.690 ( 4.400 -1.431 2.571) 5.294 6.793 ( -1.945 -1.822 -2.679) 3.779 7.292 ( -2.371 -1.096 -2.447) 3.579 7.487 ( -4.040 0.906 -1.253) 4.326 7.906 ( 0.595 -1.302 -1.274) 1.916 8.197 ( 5.410 6.173 7.814) 11.333 8.264 ( 4.007 3.579 6.212) 8.213 8.390 ( 6.424 -3.890 9.897) 12.424 9.226 ( -4.977 -1.169 -6.511) 8.279 9.238 ( -0.257 -0.795 -0.097) 0.841 ======================= Grid point 147 (67/160) ======================= q-point: (-0.11 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -9.551 -14.367 7.729) 18.904 1.201 ( -14.019 -16.858 2.412) 22.057 1.696 ( -3.853 -6.019 9.534) 11.915 1.926 ( -6.721 -3.220 6.274) 9.742 2.115 ( 4.299 -5.760 6.567) 9.736 2.299 ( -0.313 1.064 -2.523) 2.756 2.348 ( 3.044 -2.023 0.220) 3.662 2.427 ( 7.457 2.748 2.041) 8.205 2.460 ( 1.406 -3.692 -4.084) 5.682 2.806 ( 1.102 5.371 -2.675) 6.101 2.857 ( -3.242 -4.161 1.418) 5.462 2.943 ( 2.243 -2.346 -2.783) 4.275 3.049 ( 5.042 0.368 -2.541) 5.658 3.151 ( -1.450 7.173 -8.970) 11.577 3.628 ( -3.923 -0.074 0.947) 4.036 3.669 ( -2.573 1.626 4.393) 5.344 3.977 ( 7.438 2.101 -2.850) 8.238 4.037 ( -1.827 4.776 -3.921) 6.444 4.177 ( 4.731 1.186 1.474) 5.095 4.333 ( -0.797 -2.582 1.399) 3.043 4.469 ( -1.078 -0.369 0.011) 1.140 4.608 ( -0.551 -1.083 -0.369) 1.270 4.744 ( 8.189 -1.389 -1.517) 8.444 4.962 ( -2.037 4.429 -5.456) 7.317 5.098 ( -1.463 4.158 -2.374) 5.006 5.226 ( 2.361 0.365 -0.382) 2.420 5.562 ( -4.200 2.928 4.829) 7.038 6.002 ( -3.905 -4.678 5.004) 7.884 6.127 ( -7.937 -0.461 -3.235) 8.583 6.318 ( 4.014 1.431 -0.920) 4.360 6.409 ( -0.689 -1.426 -1.646) 2.284 6.572 ( 0.701 3.009 -0.254) 3.100 6.725 ( -0.615 0.511 1.562) 1.755 6.855 ( 1.759 -6.639 -0.646) 6.899 7.275 ( -1.929 0.912 -3.759) 4.322 7.443 ( -3.131 0.774 0.518) 3.266 7.873 ( -1.214 5.883 2.526) 6.516 8.148 ( 2.581 2.295 -2.506) 4.267 8.222 ( 3.467 4.549 5.056) 7.634 8.501 ( 7.701 -1.040 4.854) 9.162 9.224 ( -2.652 -2.431 -3.017) 4.695 9.256 ( 0.224 -1.120 0.425) 1.219 ======================= Grid point 155 (68/160) ======================= q-point: (-0.22 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -14.705 -0.000 12.982) 19.615 0.827 ( -22.869 -0.000 7.293) 24.004 1.471 ( -30.788 -0.000 23.612) 38.800 1.813 ( 5.337 0.000 7.007) 8.808 2.062 ( 6.678 0.000 0.941) 6.744 2.306 ( 0.272 0.000 -1.318) 1.346 2.317 ( 7.648 0.000 -1.501) 7.794 2.385 ( 3.041 0.000 0.711) 3.123 2.528 ( 5.166 0.000 -4.024) 6.548 2.726 ( -9.064 -0.000 1.535) 9.193 2.901 ( 0.429 0.000 -3.704) 3.729 2.988 ( -0.261 -0.000 2.404) 2.418 3.106 ( 9.500 0.000 -5.283) 10.871 3.242 ( 1.652 0.000 -6.215) 6.431 3.638 ( -0.231 -0.000 10.247) 10.249 3.642 ( -2.759 -0.000 0.725) 2.853 3.983 ( 2.663 0.000 1.123) 2.890 4.014 ( 6.180 0.000 -1.284) 6.312 4.318 ( 2.830 0.000 -1.270) 3.102 4.336 ( 1.071 0.000 -1.689) 2.000 4.463 ( 7.755 0.000 -1.621) 7.922 4.522 ( -0.886 -0.000 2.209) 2.380 4.745 ( -3.494 -0.000 -7.301) 8.094 5.090 ( -7.766 -0.000 -11.372) 13.771 5.174 ( 6.241 0.000 1.847) 6.508 5.190 ( -0.223 -0.000 -3.477) 3.484 5.706 ( -10.904 -0.000 2.781) 11.253 5.825 ( 0.436 0.000 9.231) 9.241 6.129 ( -5.735 -0.000 -8.032) 9.869 6.349 ( 5.056 0.000 -0.612) 5.093 6.398 ( -9.179 -0.000 -6.358) 11.166 6.635 ( 0.414 0.000 -2.377) 2.413 6.721 ( 3.995 0.000 -0.594) 4.038 6.762 ( 0.262 0.000 -2.408) 2.422 7.245 ( -4.711 -0.000 -1.870) 5.069 7.460 ( -4.316 -0.000 -1.826) 4.686 7.895 ( 0.968 0.000 -0.355) 1.031 8.285 ( -1.381 -0.000 -4.592) 4.795 8.339 ( 4.360 0.000 5.530) 7.042 8.462 ( 18.929 0.000 30.096) 35.554 9.165 ( -5.333 -0.000 -5.835) 7.905 9.231 ( 0.121 0.000 0.395) 0.413 ======================= Grid point 156 (69/160) ======================= q-point: (-0.11 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -11.933 -12.849 11.057) 20.730 0.807 ( -17.019 -13.810 8.399) 23.471 1.397 ( -23.401 -13.302 25.871) 37.335 1.873 ( 2.661 -1.124 5.544) 6.251 2.123 ( 6.681 -1.257 2.184) 7.140 2.311 ( 2.327 0.215 -0.473) 2.384 2.341 ( -0.154 -0.693 -0.704) 1.000 2.425 ( 6.283 -1.078 0.567) 6.400 2.552 ( 4.196 2.802 0.329) 5.056 2.720 ( -6.212 -6.382 -1.098) 8.973 2.886 ( 2.284 2.022 -4.534) 5.465 2.967 ( 1.092 1.956 3.868) 4.470 3.116 ( 6.468 3.579 -4.655) 8.736 3.233 ( -0.209 2.741 -8.072) 8.527 3.609 ( -3.230 0.934 -0.126) 3.365 3.652 ( -3.937 -0.708 6.472) 7.608 4.038 ( 6.280 -1.417 -3.548) 7.350 4.058 ( 0.176 -1.536 -2.549) 2.981 4.271 ( 0.329 7.483 -0.237) 7.494 4.319 ( 1.952 0.944 -1.393) 2.577 4.444 ( -1.528 -0.376 -1.046) 1.890 4.582 ( 0.534 -1.270 -0.528) 1.476 4.765 ( 6.411 -3.469 -4.629) 8.635 4.993 ( -6.005 2.574 -9.365) 11.419 5.163 ( 2.386 3.163 -0.918) 4.067 5.242 ( 4.253 -1.175 0.597) 4.452 5.585 ( -7.254 3.435 3.955) 8.948 5.895 ( -2.020 -4.994 7.242) 9.026 6.055 ( -9.917 0.367 -6.960) 12.121 6.331 ( -2.690 -0.447 -1.015) 2.910 6.395 ( 2.927 -0.884 -1.479) 3.397 6.622 ( 0.540 1.847 -2.044) 2.808 6.743 ( -1.085 1.635 -0.096) 1.965 6.777 ( 3.071 -3.470 -0.179) 4.637 7.243 ( -2.984 -2.724 -3.113) 5.100 7.425 ( -3.580 0.327 -1.249) 3.806 7.909 ( 0.223 -0.175 -1.627) 1.652 8.223 ( -1.354 4.334 -1.939) 4.937 8.337 ( 3.920 4.134 4.938) 7.539 8.606 ( 14.668 3.180 15.105) 21.294 9.161 ( -0.047 -2.427 1.506) 2.857 9.243 ( 0.716 -0.876 1.122) 1.594 ======================= Grid point 165 (70/160) ======================= q-point: (-0.11 -0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -15.179 -0.000 16.117) 22.140 0.547 ( -8.276 -0.000 22.100) 23.599 1.094 ( -26.762 -0.000 34.789) 43.891 1.902 ( 4.775 0.000 5.440) 7.239 2.158 ( 5.929 0.000 2.238) 6.337 2.314 ( -2.602 -0.000 -0.946) 2.769 2.342 ( 4.289 0.000 1.964) 4.717 2.492 ( 6.429 0.000 3.647) 7.391 2.556 ( -11.676 -0.000 4.151) 12.392 2.609 ( 4.600 0.000 -5.033) 6.818 2.927 ( 3.809 0.000 -3.537) 5.198 2.983 ( -1.123 -0.000 4.712) 4.844 3.216 ( -2.963 -0.000 -6.256) 6.922 3.228 ( 7.713 0.000 -8.009) 11.119 3.597 ( -3.120 -0.000 -0.483) 3.157 3.622 ( -4.447 -0.000 6.346) 7.749 3.997 ( 0.257 0.000 -3.795) 3.804 4.074 ( 2.661 0.000 -4.494) 5.223 4.337 ( -0.386 -0.000 -3.159) 3.182 4.341 ( 0.054 0.000 -1.046) 1.047 4.533 ( -2.766 -0.000 -10.347) 10.710 4.553 ( 4.043 0.000 3.737) 5.505 4.678 ( -3.435 -0.000 -6.537) 7.384 4.954 ( -5.001 -0.000 -4.109) 6.472 5.236 ( 8.619 0.000 -0.456) 8.631 5.263 ( 3.789 0.000 0.998) 3.919 5.560 ( -8.145 -0.000 3.934) 9.045 5.848 ( 0.021 0.000 9.256) 9.256 5.970 ( -11.307 -0.000 -7.005) 13.301 6.295 ( -3.289 -0.000 0.054) 3.290 6.403 ( 2.636 0.000 -0.955) 2.803 6.634 ( 0.149 0.000 -2.174) 2.179 6.760 ( 1.410 0.000 -1.781) 2.271 6.774 ( 1.323 0.000 -2.424) 2.761 7.157 ( -6.121 -0.000 0.270) 6.127 7.407 ( -2.032 -0.000 -0.947) 2.242 7.906 ( 0.678 0.000 -1.389) 1.545 8.240 ( -3.014 -0.000 -5.260) 6.062 8.412 ( 3.727 0.000 4.849) 6.115 8.766 ( 3.665 0.000 1.106) 3.828 9.236 ( 25.593 0.000 20.310) 32.673 9.238 ( 0.511 0.000 1.275) 1.374 ======================= Grid point 166 (71/160) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.977 -0.000 23.723) 23.743 1.097 ( 3.573 0.000 24.707) 24.965 1.699 ( -4.620 -0.000 33.047) 33.369 2.072 ( 3.819 0.000 1.135) 3.984 2.222 ( 0.812 0.000 -5.496) 5.555 2.343 ( -3.940 -0.000 7.546) 8.513 2.361 ( -16.253 -0.000 1.793) 16.352 2.493 ( 9.541 0.000 -1.150) 9.610 2.686 ( 3.298 0.000 3.686) 4.946 2.707 ( 5.671 0.000 3.100) 6.463 2.912 ( 7.428 0.000 -5.637) 9.324 3.081 ( -6.886 -0.000 -2.759) 7.418 3.126 ( 2.356 0.000 4.311) 4.913 3.157 ( 5.126 0.000 1.191) 5.262 3.500 ( 2.180 0.000 -4.404) 4.914 3.559 ( -10.458 -0.000 -0.066) 10.459 3.819 ( -2.783 -0.000 -9.204) 9.616 3.918 ( 0.637 0.000 -9.321) 9.342 4.199 ( -3.020 -0.000 -2.995) 4.253 4.298 ( 0.721 0.000 -2.582) 2.680 4.323 ( -2.316 -0.000 -3.091) 3.863 4.464 ( -0.179 -0.000 -8.453) 8.455 4.723 ( 3.977 0.000 4.513) 6.015 4.913 ( -1.415 -0.000 -1.166) 1.834 5.206 ( -9.168 -0.000 0.043) 9.168 5.264 ( 4.151 0.000 -3.243) 5.268 5.683 ( 3.443 0.000 6.488) 7.345 5.941 ( 6.547 0.000 -0.486) 6.565 6.049 ( -2.613 -0.000 7.251) 7.707 6.337 ( 1.413 0.000 3.644) 3.909 6.411 ( 1.881 0.000 -1.264) 2.266 6.567 ( -0.609 -0.000 -3.661) 3.712 6.696 ( 1.041 0.000 -3.915) 4.051 6.699 ( 0.529 0.000 -4.540) 4.571 7.192 ( -2.482 -0.000 5.796) 6.305 7.410 ( 3.091 0.000 -0.189) 3.097 7.884 ( 1.508 0.000 -1.057) 1.841 8.040 ( -4.357 -0.000 -6.314) 7.672 8.551 ( 1.452 0.000 3.568) 3.852 8.622 ( -7.247 -0.000 0.976) 7.312 9.309 ( 0.710 0.000 3.709) 3.776 9.643 ( 6.924 0.000 -5.578) 8.892 ======================= Grid point 167 (72/160) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -0.073 -5.731 21.965) 22.701 1.085 ( 1.453 4.875 24.945) 25.459 1.858 ( 2.637 -11.794 22.802) 25.806 2.065 ( 1.579 3.838 2.003) 4.608 2.193 ( -10.937 2.338 -2.571) 11.476 2.231 ( -5.240 -0.208 -3.369) 6.233 2.347 ( -3.384 -3.077 8.946) 10.047 2.556 ( 8.684 0.847 -1.154) 8.801 2.691 ( -0.008 -0.405 0.228) 0.464 2.776 ( 1.169 -1.458 -1.056) 2.146 2.907 ( 3.666 5.429 -2.338) 6.955 3.044 ( -3.623 -1.687 0.557) 4.035 3.125 ( 4.173 2.165 0.256) 4.708 3.233 ( 6.180 -3.791 2.934) 7.821 3.447 ( -1.263 4.328 0.631) 4.552 3.495 ( -4.392 1.661 -2.252) 5.208 3.754 ( -1.574 4.072 -10.097) 11.000 3.920 ( -0.787 0.316 -11.049) 11.082 4.206 ( 0.065 -3.232 -0.563) 3.281 4.276 ( 0.429 0.742 -2.020) 2.194 4.365 ( -0.450 -4.629 -2.218) 5.153 4.507 ( -1.010 -4.746 -6.575) 8.172 4.729 ( 1.338 2.348 3.531) 4.446 4.899 ( -0.974 0.100 -1.825) 2.071 5.126 ( -8.580 1.149 -0.135) 8.658 5.285 ( 1.248 -0.608 -1.510) 2.051 5.741 ( 4.913 -2.034 5.971) 7.995 5.993 ( 8.179 0.676 -0.937) 8.260 6.036 ( -2.798 0.037 5.771) 6.413 6.364 ( 1.072 -1.571 2.956) 3.515 6.428 ( 0.342 -0.660 -1.198) 1.410 6.560 ( 1.127 1.690 -4.344) 4.795 6.604 ( -1.550 0.908 -1.233) 2.179 6.850 ( 3.410 -6.904 -4.695) 9.019 7.189 ( -1.957 -1.341 3.801) 4.480 7.411 ( 3.608 2.739 -0.450) 4.552 7.878 ( 1.114 2.000 -1.074) 2.529 7.986 ( -3.047 1.621 -5.898) 6.834 8.477 ( -4.777 6.284 4.909) 9.295 8.595 ( -2.620 -0.123 1.523) 3.033 9.310 ( 0.295 0.621 3.188) 3.261 9.598 ( 1.433 6.468 -4.106) 7.794 ======================= Grid point 168 (73/160) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 1.628 -1.212 18.317) 18.429 1.206 ( 1.565 -9.034 16.916) 19.241 1.922 ( -1.159 7.473 -1.179) 7.654 2.017 ( -9.894 1.827 0.910) 10.103 2.123 ( -0.438 -4.260 3.428) 5.485 2.258 ( -1.018 -3.369 -2.737) 4.458 2.423 ( -0.849 -6.307 11.505) 13.147 2.590 ( 5.033 0.996 -1.934) 5.483 2.625 ( -3.890 6.928 -6.746) 10.423 2.804 ( -4.219 -5.720 -0.022) 7.108 2.860 ( 6.165 2.501 4.645) 8.114 3.081 ( 3.005 -1.310 1.100) 3.458 3.122 ( 3.699 1.423 -1.741) 4.329 3.298 ( -2.553 1.261 1.815) 3.377 3.409 ( -5.844 2.459 -3.170) 7.088 3.439 ( 8.731 -1.293 3.320) 9.430 3.655 ( 0.197 5.048 -10.104) 11.297 3.871 ( -0.310 2.302 -10.135) 10.398 4.273 ( 1.289 0.290 -0.601) 1.452 4.297 ( 1.438 -5.381 0.256) 5.576 4.451 ( -1.020 -5.068 -0.110) 5.171 4.560 ( -3.272 -3.175 -3.090) 5.508 4.678 ( -0.955 3.234 1.345) 3.630 4.893 ( -0.045 -0.014 -2.256) 2.256 5.048 ( -6.055 1.377 0.235) 6.214 5.307 ( 0.791 -1.098 0.415) 1.415 5.814 ( 2.911 -0.990 6.686) 7.360 6.019 ( 7.018 1.801 -1.488) 7.397 6.048 ( -1.129 -2.493 5.532) 6.172 6.403 ( -0.324 -2.243 -0.058) 2.267 6.412 ( -1.925 1.563 -0.472) 2.524 6.532 ( 3.171 2.005 -3.114) 4.876 6.648 ( -0.463 -5.087 0.943) 5.194 6.926 ( 0.240 -0.874 -1.748) 1.969 7.235 ( 0.596 -3.703 -0.403) 3.772 7.373 ( 3.153 3.681 -1.313) 5.021 7.815 ( -1.214 4.662 -1.416) 5.022 7.956 ( 0.480 0.019 -4.836) 4.860 8.315 ( -6.513 7.343 5.963) 11.485 8.567 ( -0.951 1.882 0.215) 2.120 9.302 ( 0.245 0.745 2.037) 2.183 9.484 ( -0.339 5.885 -2.134) 6.269 ======================= Grid point 169 (74/160) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 3.163 -8.161 7.472) 11.508 1.395 ( 0.410 -9.399 10.059) 13.772 1.776 ( -1.735 6.327 -1.088) 6.650 1.929 ( -5.479 0.066 -2.112) 5.873 2.143 ( -0.464 2.911 -0.410) 2.976 2.272 ( 1.491 1.356 -5.189) 5.566 2.442 ( -7.926 4.275 -3.445) 9.642 2.522 ( -0.121 -2.022 4.118) 4.589 2.654 ( 2.071 -4.536 0.212) 4.991 2.857 ( 1.800 -0.231 5.537) 5.827 2.928 ( 0.621 -5.439 -1.077) 5.580 3.075 ( 5.281 4.887 -2.367) 7.575 3.150 ( 0.431 -0.803 3.433) 3.552 3.232 ( 1.047 4.563 2.571) 5.341 3.326 ( -5.303 -0.157 -8.414) 9.947 3.521 ( 4.636 -0.073 2.140) 5.106 3.566 ( -0.107 3.596 -9.989) 10.617 3.861 ( 2.869 -1.416 -5.525) 6.385 4.286 ( 1.278 -0.502 2.525) 2.874 4.389 ( 1.607 -3.071 1.760) 3.887 4.495 ( -4.003 -1.735 2.556) 5.056 4.574 ( -1.963 -1.424 -1.097) 2.662 4.636 ( -0.260 0.253 -0.384) 0.529 4.889 ( -0.103 0.368 -2.951) 2.976 4.990 ( -4.336 0.765 1.124) 4.544 5.328 ( 0.384 -0.416 2.434) 2.499 5.812 ( 0.352 2.719 7.955) 8.414 6.061 ( 6.764 -0.042 -0.875) 6.821 6.102 ( -1.036 -4.177 4.517) 6.239 6.364 ( -3.326 1.454 0.536) 3.669 6.441 ( -0.885 -2.718 -2.407) 3.738 6.518 ( 3.744 2.429 -2.136) 4.948 6.710 ( 0.192 -0.416 2.562) 2.603 6.942 ( -2.485 -3.358 -3.522) 5.464 7.281 ( 2.483 -0.670 -0.136) 2.576 7.362 ( 2.336 -0.274 -1.055) 2.578 7.715 ( -1.101 5.605 1.085) 5.814 7.970 ( 1.441 -1.027 -5.224) 5.516 8.165 ( -5.194 4.469 4.366) 8.125 8.519 ( -0.375 2.880 -1.818) 3.426 9.294 ( 0.337 0.513 0.953) 1.133 9.388 ( -0.693 4.368 -2.305) 4.987 ======================= Grid point 170 (75/160) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 3.215 -10.042 0.842) 10.577 1.522 ( -3.733 -4.434 -0.230) 5.801 1.724 ( 0.644 -2.273 1.867) 3.011 1.918 ( -3.207 0.323 -0.864) 3.337 2.056 ( 2.237 2.444 -2.024) 3.883 2.236 ( 3.421 5.009 -1.801) 6.328 2.354 ( -3.597 1.154 -0.405) 3.800 2.530 ( -2.664 -0.644 -2.432) 3.664 2.734 ( 2.653 -1.254 -3.356) 4.458 2.868 ( -0.517 0.517 5.246) 5.296 2.957 ( -0.664 2.274 -0.068) 2.369 3.027 ( 2.106 3.173 -1.880) 4.247 3.092 ( -3.104 4.547 -0.693) 5.549 3.169 ( 2.781 4.783 1.525) 5.739 3.368 ( -1.701 -6.432 -6.571) 9.351 3.531 ( 0.064 -0.702 0.338) 0.782 3.544 ( 3.399 -1.185 -6.862) 7.749 3.910 ( 1.696 -1.273 -3.866) 4.409 4.301 ( -0.034 0.401 4.824) 4.841 4.426 ( 0.487 -0.649 3.848) 3.933 4.482 ( -3.000 0.136 2.173) 3.707 4.595 ( 0.491 -2.417 -0.376) 2.495 4.663 ( 1.865 -1.724 -0.388) 2.569 4.870 ( -1.942 0.301 -2.561) 3.228 4.963 ( -1.579 0.059 1.119) 1.936 5.328 ( -0.499 0.803 4.117) 4.224 5.767 ( 0.710 3.452 8.854) 9.529 6.107 ( 2.121 -1.462 0.328) 2.596 6.170 ( 0.766 -2.572 3.076) 4.083 6.316 ( -4.608 0.716 1.731) 4.974 6.474 ( -1.023 -1.903 -3.556) 4.161 6.494 ( 4.191 3.506 -0.617) 5.499 6.690 ( -1.866 0.906 1.619) 2.631 6.971 ( -0.920 -1.555 -6.988) 7.218 7.359 ( 2.237 -4.804 0.767) 5.355 7.370 ( 0.914 0.400 0.129) 1.006 7.611 ( -1.390 4.538 5.407) 7.194 7.991 ( 1.309 -0.624 -5.899) 6.075 8.114 ( -1.330 -1.057 2.395) 2.936 8.464 ( -0.020 2.529 -3.935) 4.678 9.289 ( -0.009 0.682 -0.387) 0.784 9.317 ( -0.148 2.734 -1.784) 3.268 ======================= Grid point 171 (76/160) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -5.394 2.190 -4.272) 7.221 1.531 ( -0.525 -0.723 3.591) 3.701 1.806 ( -0.671 -4.583 -3.937) 6.078 1.897 ( 1.098 -3.713 2.547) 4.635 2.136 ( 1.155 1.967 7.920) 8.242 2.165 ( 3.052 -5.235 -5.339) 8.076 2.342 ( 3.222 0.520 -1.819) 3.737 2.498 ( -3.078 1.333 -6.099) 6.961 2.712 ( 5.079 5.270 -4.619) 8.655 2.812 ( -5.737 5.316 5.257) 9.424 2.890 ( -2.794 3.115 -1.034) 4.310 2.974 ( 4.208 2.292 2.274) 5.303 3.045 ( 2.393 2.289 -0.620) 3.369 3.111 ( 2.762 3.269 0.679) 4.333 3.440 ( -4.905 -5.174 -3.526) 7.954 3.560 ( -2.139 -3.280 0.696) 3.977 3.652 ( 4.946 -7.137 -9.515) 12.882 3.902 ( -2.461 1.141 -3.469) 4.403 4.279 ( -0.345 1.849 4.884) 5.233 4.431 ( 0.118 0.989 2.358) 2.560 4.470 ( -1.812 -0.540 2.452) 3.097 4.643 ( 2.496 -0.857 -0.881) 2.782 4.705 ( 2.126 -1.200 -0.667) 2.531 4.865 ( -2.364 -2.196 -2.176) 3.891 4.957 ( 1.832 0.882 0.738) 2.163 5.308 ( -1.289 0.984 4.845) 5.109 5.728 ( 1.389 2.959 9.233) 9.795 6.127 ( -4.406 -0.836 2.009) 4.914 6.191 ( 0.589 1.281 0.945) 1.697 6.290 ( -1.956 -1.205 3.104) 3.862 6.462 ( 3.797 3.288 -0.388) 5.037 6.485 ( -0.210 -0.531 -3.939) 3.980 6.678 ( -2.815 -1.459 0.790) 3.267 6.986 ( 0.923 -1.215 -6.805) 6.974 7.288 ( 0.371 7.332 1.651) 7.524 7.444 ( -2.588 -1.665 -0.757) 3.169 7.635 ( 0.022 -7.811 6.315) 10.044 7.994 ( 1.012 0.473 -7.208) 7.294 8.169 ( 1.832 -3.907 3.166) 5.352 8.437 ( 0.646 -0.181 -4.882) 4.928 9.255 ( -0.364 1.699 -2.134) 2.752 9.304 ( 1.278 0.194 0.864) 1.555 ======================= Grid point 172 (77/160) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -7.879 11.282 0.241) 13.763 1.466 ( -5.025 6.444 9.881) 12.823 1.898 ( -1.174 -4.203 -0.337) 4.377 1.944 ( 4.776 -0.950 1.471) 5.087 2.199 ( -1.469 -9.581 -0.615) 9.712 2.298 ( 0.020 -3.455 -5.188) 6.233 2.358 ( 6.545 2.014 0.176) 6.850 2.462 ( 3.080 0.421 0.472) 3.144 2.625 ( -5.080 6.613 8.731) 12.074 2.684 ( 1.497 3.657 -0.550) 3.989 2.849 ( 1.886 -0.884 -6.883) 7.191 2.971 ( 2.975 5.762 -2.088) 6.813 3.020 ( 4.130 -0.398 5.129) 6.597 3.117 ( 5.174 0.838 2.540) 5.824 3.472 ( -6.845 -3.623 -3.813) 8.632 3.603 ( -5.067 -4.339 -1.499) 6.837 3.791 ( -0.310 -6.104 -8.882) 10.781 3.860 ( -1.733 -0.652 -4.897) 5.235 4.258 ( 0.231 0.888 3.304) 3.429 4.397 ( -1.583 2.605 1.432) 3.368 4.470 ( 0.549 0.270 0.592) 0.851 4.644 ( 2.318 2.541 -1.220) 3.649 4.722 ( -0.191 0.254 -1.748) 1.777 4.886 ( 0.100 -0.568 -2.638) 2.701 4.985 ( 5.100 -1.830 0.188) 5.422 5.293 ( -1.613 -0.143 4.064) 4.375 5.702 ( 1.144 2.205 8.935) 9.274 6.070 ( -6.999 2.079 0.554) 7.322 6.149 ( -3.536 1.870 4.858) 6.293 6.331 ( 3.588 -1.632 0.902) 4.044 6.429 ( 3.014 3.383 -0.855) 4.611 6.495 ( -0.276 -1.371 -3.849) 4.095 6.694 ( -2.855 -2.331 0.790) 3.770 6.982 ( 1.974 3.996 -3.019) 5.383 7.190 ( -0.480 1.568 0.431) 1.696 7.427 ( -3.665 0.456 -0.440) 3.720 7.788 ( -1.040 -7.216 1.734) 7.494 7.987 ( 0.691 -0.616 -7.761) 7.816 8.266 ( 1.767 -5.113 4.532) 7.057 8.481 ( 1.807 -4.248 -3.604) 5.856 9.237 ( 0.962 0.353 -0.302) 1.068 9.319 ( 2.627 -0.253 1.992) 3.307 ======================= Grid point 173 (78/160) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -7.051 9.439 9.826) 15.342 1.280 ( -6.424 9.937 17.319) 20.976 1.953 ( -0.435 -3.821 2.757) 4.731 1.980 ( 1.409 3.710 5.958) 7.159 2.269 ( -0.984 3.560 4.510) 5.829 2.336 ( -3.850 -7.141 -2.585) 8.514 2.362 ( 4.743 1.555 1.255) 5.147 2.443 ( 1.211 4.088 6.056) 7.406 2.587 ( 7.923 0.536 1.350) 8.055 2.707 ( 0.285 -6.104 -3.840) 7.217 2.849 ( 0.302 5.845 -0.643) 5.888 2.953 ( 1.554 -5.865 -3.960) 7.245 3.070 ( 4.206 -0.488 5.250) 6.744 3.143 ( 8.105 2.330 2.044) 8.677 3.455 ( -7.575 -1.922 -5.900) 9.793 3.624 ( -7.247 -3.358 -1.736) 8.173 3.826 ( -7.471 -4.890 -6.600) 11.103 3.915 ( 2.780 -2.844 -10.135) 10.887 4.254 ( -0.196 0.207 0.890) 0.934 4.323 ( -2.222 3.766 0.402) 4.391 4.452 ( 0.960 3.085 -0.985) 3.378 4.601 ( 2.021 3.468 -2.853) 4.924 4.693 ( -1.217 1.544 -2.297) 3.024 4.896 ( 1.972 -0.313 -1.502) 2.498 5.082 ( 7.036 -3.521 -1.632) 8.035 5.292 ( -2.165 -0.567 2.235) 3.164 5.684 ( 0.364 1.519 8.175) 8.323 5.977 ( -5.654 2.506 -0.245) 6.189 6.099 ( -3.120 1.602 7.680) 8.443 6.373 ( 3.690 1.489 0.637) 4.030 6.394 ( 1.460 1.329 -1.509) 2.485 6.521 ( -0.009 -2.330 -3.821) 4.475 6.694 ( -3.194 0.559 -0.390) 3.266 6.894 ( 2.166 5.600 -0.415) 6.019 7.213 ( 0.464 -1.905 -0.143) 1.966 7.380 ( -3.311 1.123 -1.316) 3.736 7.849 ( -0.463 -1.530 -2.285) 2.789 8.024 ( -2.106 -4.107 -6.182) 7.715 8.382 ( 1.112 -6.081 5.154) 8.049 8.583 ( 0.502 -5.717 -2.224) 6.155 9.256 ( 2.017 -0.968 1.870) 2.916 9.371 ( 6.316 -2.203 3.443) 7.524 ======================= Grid point 174 (79/160) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.265 0.832 21.280) 21.298 1.107 ( -5.068 5.977 22.618) 23.937 1.831 ( -6.415 10.210 25.301) 28.027 2.022 ( 2.971 -2.277 2.177) 4.330 2.224 ( 0.869 1.169 -1.546) 2.124 2.377 ( -2.018 1.509 6.807) 7.258 2.400 ( -6.284 -4.314 0.764) 7.661 2.427 ( 6.310 -0.972 -1.280) 6.512 2.637 ( 6.329 0.829 -0.094) 6.383 2.743 ( 0.639 4.571 4.978) 6.788 2.832 ( 6.287 -3.536 -6.292) 9.571 3.064 ( 0.491 -5.013 1.045) 5.145 3.110 ( 0.096 -1.458 3.605) 3.890 3.143 ( 4.541 3.147 -1.012) 5.617 3.459 ( -1.553 -3.463 -6.252) 7.314 3.612 ( -9.051 -2.336 -0.719) 9.375 3.837 ( -6.256 -2.631 -8.607) 10.961 3.940 ( 1.545 0.792 -10.649) 10.789 4.228 ( -2.789 0.866 -0.243) 2.931 4.282 ( -0.527 -0.609 -2.203) 2.346 4.380 ( -0.622 4.008 -2.645) 4.842 4.532 ( -0.190 4.732 -8.307) 9.562 4.685 ( 2.840 -0.199 2.885) 4.053 4.914 ( 0.106 -0.650 -1.051) 1.240 5.191 ( 5.818 -2.956 -2.756) 7.084 5.273 ( -3.520 0.496 0.253) 3.564 5.672 ( 0.992 1.130 7.280) 7.433 5.920 ( -0.099 0.975 -0.245) 1.010 6.066 ( -2.547 0.774 9.113) 9.494 6.343 ( 1.138 2.198 2.168) 3.291 6.402 ( 2.801 0.586 -2.048) 3.519 6.564 ( 0.068 -2.284 -3.564) 4.234 6.643 ( -3.057 0.448 -2.093) 3.732 6.816 ( 2.486 6.318 -3.485) 7.632 7.213 ( -2.260 0.811 3.493) 4.239 7.375 ( 0.852 -1.623 -0.827) 2.012 7.867 ( 0.690 -0.949 -1.886) 2.221 8.056 ( -4.085 -2.605 -6.174) 7.848 8.491 ( 1.076 -4.494 4.368) 6.359 8.648 ( -3.785 -2.697 -1.267) 4.817 9.290 ( 1.409 -0.827 3.168) 3.564 9.512 ( 10.440 -5.621 0.626) 11.874 ======================= Grid point 176 (80/160) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -1.752 -0.000 24.100) 24.164 1.231 ( 7.405 0.000 23.214) 24.366 1.788 ( 6.074 0.000 25.972) 26.673 2.089 ( -17.294 -0.000 8.859) 19.431 2.127 ( 0.905 0.000 -7.309) 7.364 2.203 ( -0.984 -0.000 -8.816) 8.871 2.304 ( -2.988 -0.000 10.929) 11.330 2.625 ( 7.664 0.000 -1.408) 7.793 2.668 ( -6.057 -0.000 0.473) 6.076 2.772 ( 0.968 0.000 -2.413) 2.600 2.971 ( -4.804 -0.000 0.587) 4.840 3.005 ( 5.814 0.000 -3.414) 6.742 3.164 ( 1.315 0.000 2.452) 2.782 3.238 ( 0.628 0.000 1.252) 1.400 3.462 ( 0.970 0.000 1.332) 1.648 3.509 ( -1.672 -0.000 0.929) 1.913 3.796 ( 3.349 0.000 -9.898) 10.449 3.895 ( -1.490 -0.000 -7.778) 7.919 4.179 ( 1.280 0.000 -2.964) 3.229 4.289 ( -1.431 -0.000 -2.351) 2.752 4.318 ( 2.667 0.000 -2.236) 3.481 4.445 ( -0.637 -0.000 -6.265) 6.298 4.762 ( -0.672 -0.000 3.368) 3.434 4.888 ( -1.068 -0.000 -2.395) 2.623 5.078 ( -5.754 -0.000 -0.671) 5.793 5.272 ( -1.469 -0.000 -1.564) 2.145 5.764 ( 4.949 0.000 5.096) 7.104 5.990 ( -3.867 -0.000 8.520) 9.356 6.096 ( 9.800 0.000 -6.781) 11.917 6.367 ( 1.656 0.000 4.150) 4.468 6.404 ( -3.023 -0.000 -1.048) 3.199 6.562 ( 1.338 0.000 -4.767) 4.951 6.708 ( 2.027 0.000 -3.136) 3.734 6.734 ( 5.049 0.000 -4.985) 7.095 7.173 ( -1.684 -0.000 5.568) 5.817 7.466 ( 4.098 0.000 -0.315) 4.110 7.912 ( 2.321 0.000 0.173) 2.327 7.972 ( -2.746 -0.000 -5.872) 6.482 8.505 ( -9.210 -0.000 5.494) 10.724 8.565 ( -0.590 -0.000 3.316) 3.368 9.317 ( -0.577 -0.000 3.208) 3.260 9.644 ( -3.802 -0.000 -6.962) 7.933 ======================= Grid point 177 (81/160) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.324 -3.565 21.629) 21.923 1.257 ( 10.628 4.207 21.353) 24.220 1.943 ( -1.652 -5.184 8.621) 10.194 1.951 ( -13.351 -0.831 7.539) 15.355 2.090 ( 0.891 3.716 -3.690) 5.312 2.196 ( -1.107 -1.410 -6.517) 6.759 2.336 ( -1.056 -3.650 12.391) 12.960 2.634 ( -4.949 -0.654 -2.004) 5.379 2.654 ( 1.421 0.039 -1.314) 1.936 2.740 ( -2.208 2.568 -5.744) 6.668 2.945 ( 2.192 2.423 5.817) 6.671 3.034 ( 0.602 -2.110 -1.552) 2.688 3.160 ( -0.277 0.300 -1.119) 1.191 3.268 ( -2.146 -3.421 -0.165) 4.042 3.442 ( -1.721 4.436 2.390) 5.325 3.503 ( 7.168 0.233 3.427) 7.949 3.747 ( 1.577 5.734 -7.858) 9.855 3.895 ( 1.324 0.315 -8.511) 8.619 4.226 ( 2.659 -3.748 -1.498) 4.833 4.279 ( 0.266 -0.359 -1.843) 1.896 4.369 ( 1.686 -3.146 -1.929) 4.057 4.469 ( -2.893 -3.657 -3.994) 6.140 4.725 ( -2.042 2.632 0.642) 3.392 4.885 ( -0.167 -0.402 -2.769) 2.803 5.040 ( -2.318 1.222 -0.315) 2.639 5.272 ( -1.982 -1.668 -1.203) 2.856 5.822 ( 4.443 -1.618 5.063) 6.928 5.983 ( -4.013 -1.759 7.238) 8.461 6.134 ( 8.605 2.526 -5.713) 10.634 6.371 ( -2.643 -0.609 -0.509) 2.759 6.412 ( -0.051 -1.207 1.939) 2.284 6.574 ( 0.727 -1.445 -3.508) 3.863 6.613 ( 3.863 4.925 -1.421) 6.419 6.892 ( 2.933 -5.499 -4.840) 7.890 7.177 ( -0.317 -1.776 3.420) 3.867 7.466 ( 3.596 3.181 -0.994) 4.902 7.887 ( 0.294 3.950 -1.437) 4.214 7.958 ( 0.694 -0.072 -3.284) 3.358 8.386 ( -8.262 5.559 7.482) 12.456 8.568 ( -2.172 -0.292 2.550) 3.362 9.311 ( -0.906 0.306 2.373) 2.558 9.558 ( -4.544 4.193 -4.887) 7.881 ======================= Grid point 178 (82/160) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 4.971 -3.423 15.393) 16.534 1.337 ( 9.894 -1.865 14.666) 17.789 1.834 ( -10.961 1.721 6.179) 12.700 1.916 ( -1.569 4.586 -6.914) 8.444 2.123 ( -0.599 -3.623 0.148) 3.675 2.222 ( -2.925 -3.654 -2.747) 5.427 2.407 ( -6.451 -4.227 6.538) 10.111 2.505 ( -6.384 6.065 -5.080) 10.166 2.683 ( 5.804 2.458 -1.323) 6.440 2.752 ( -1.833 -7.587 0.103) 7.806 2.933 ( 1.734 1.044 3.197) 3.784 3.109 ( 1.534 -4.763 2.668) 5.670 3.147 ( -0.579 1.049 -3.680) 3.870 3.278 ( -5.679 0.121 -3.193) 6.516 3.354 ( 4.437 5.585 3.240) 7.834 3.569 ( 7.011 -0.045 3.783) 7.967 3.635 ( -1.403 5.404 -8.082) 9.823 3.883 ( 4.403 1.613 -6.270) 7.830 4.290 ( 1.086 -0.503 -0.015) 1.197 4.329 ( 1.735 -4.932 1.310) 5.390 4.421 ( -3.471 -2.898 0.389) 4.539 4.512 ( -0.933 -3.863 -2.698) 4.803 4.662 ( -0.952 2.902 -0.968) 3.204 4.889 ( 0.589 -0.060 -3.306) 3.358 4.995 ( -1.585 2.069 0.411) 2.638 5.293 ( -2.329 -2.349 -0.125) 3.310 5.868 ( 2.890 0.885 7.399) 7.993 6.015 ( -2.682 -4.122 4.471) 6.647 6.136 ( 6.507 2.668 -4.200) 8.192 6.359 ( -4.355 -0.387 -1.137) 4.518 6.404 ( 0.080 0.805 0.230) 0.841 6.590 ( 4.901 2.155 -2.759) 6.023 6.653 ( 0.920 -5.997 1.581) 6.269 6.912 ( -1.739 1.608 -0.655) 2.457 7.255 ( 2.183 -4.596 -0.634) 5.127 7.416 ( 2.738 4.260 -2.010) 5.448 7.804 ( 0.305 5.095 -1.070) 5.215 7.965 ( 1.481 -0.101 -3.368) 3.680 8.230 ( -6.090 6.272 7.738) 11.675 8.544 ( -2.311 1.224 0.818) 2.740 9.301 ( -0.755 0.266 1.267) 1.498 9.450 ( -2.923 4.106 -3.663) 6.231 ======================= Grid point 179 (83/160) ======================= q-point: ( 0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 7.839 -5.833 7.275) 12.182 1.458 ( 5.694 -3.232 6.370) 9.135 1.724 ( -4.955 3.068 1.367) 5.986 1.881 ( -0.470 -1.390 -1.316) 1.971 2.132 ( -0.987 3.063 -0.886) 3.338 2.260 ( -2.189 -2.547 -1.501) 3.678 2.312 ( -7.084 0.386 -6.319) 9.501 2.481 ( -6.049 -1.927 1.988) 6.653 2.702 ( 4.378 -1.536 -1.178) 4.787 2.863 ( -0.328 -3.288 1.751) 3.740 2.940 ( -0.920 -1.659 -1.420) 2.369 3.095 ( -1.173 3.483 -5.136) 6.316 3.164 ( -0.974 4.025 4.488) 6.106 3.231 ( -3.526 -4.889 -5.239) 7.986 3.305 ( 6.935 5.962 1.096) 9.210 3.546 ( 0.145 2.166 -6.059) 6.436 3.593 ( 4.010 2.496 1.115) 4.853 3.908 ( 4.218 -0.648 -3.555) 5.554 4.304 ( -0.120 -0.135 3.243) 3.248 4.384 ( -3.906 -2.657 4.332) 6.410 4.467 ( 1.839 -2.730 0.022) 3.292 4.566 ( 1.145 -1.562 -0.804) 2.097 4.629 ( -1.054 -1.250 -0.314) 1.665 4.869 ( -1.778 1.700 -3.357) 4.162 4.968 ( 1.324 0.442 1.022) 1.730 5.307 ( -3.471 -1.428 1.425) 4.015 5.856 ( 2.787 3.350 9.357) 10.322 6.065 ( -3.808 -2.807 2.474) 5.339 6.155 ( 5.085 -1.031 -2.654) 5.828 6.309 ( -4.016 1.921 1.762) 4.787 6.417 ( -1.189 -2.356 -3.267) 4.200 6.588 ( 5.207 2.278 -1.642) 5.916 6.710 ( -0.623 1.577 2.852) 3.318 6.908 ( -0.981 -3.855 -2.127) 4.511 7.309 ( 1.111 -0.605 -0.098) 1.268 7.395 ( 2.247 -0.033 -1.175) 2.536 7.712 ( 0.234 6.085 1.497) 6.270 7.974 ( 0.124 -0.775 -5.691) 5.745 8.124 ( -1.079 2.695 6.108) 6.763 8.497 ( -1.975 2.154 -1.695) 3.379 9.294 ( -0.498 0.144 0.255) 0.578 9.364 ( -1.644 3.352 -3.282) 4.970 ======================= Grid point 180 (84/160) ======================= q-point: ( 0.56 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 3.270 -3.850 0.073) 5.052 1.530 ( 4.975 -0.980 2.267) 5.555 1.711 ( -1.852 -4.440 -0.510) 4.838 1.889 ( -0.771 1.285 2.038) 2.530 2.080 ( 0.828 -1.870 -3.390) 3.959 2.236 ( -3.578 4.634 2.415) 6.333 2.333 ( 2.001 -3.494 -4.359) 5.934 2.450 ( -6.263 -1.776 -3.972) 7.626 2.785 ( 4.803 -2.325 -2.991) 6.117 2.827 ( -5.644 3.326 3.635) 7.492 2.943 ( -1.347 2.368 -2.425) 3.647 3.036 ( -0.166 1.184 -2.531) 2.799 3.082 ( 1.567 3.026 0.671) 3.473 3.230 ( 4.668 5.560 -1.741) 7.465 3.311 ( -3.846 -4.507 -1.413) 6.091 3.545 ( 1.323 0.602 2.597) 2.976 3.587 ( 3.695 -1.528 -7.978) 8.924 3.920 ( 0.829 1.638 -3.880) 4.293 4.297 ( -1.825 0.394 4.901) 5.245 4.415 ( -1.964 -2.358 4.407) 5.370 4.476 ( 0.745 1.732 1.067) 2.167 4.623 ( 2.931 -2.910 0.157) 4.134 4.675 ( -0.429 -3.366 -0.038) 3.393 4.823 ( -2.918 0.399 -2.013) 3.567 4.991 ( 4.662 -0.084 0.758) 4.724 5.292 ( -5.051 -0.301 2.859) 5.812 5.825 ( 3.510 3.923 10.158) 11.441 6.067 ( -5.686 -1.563 1.694) 6.135 6.220 ( 3.213 -0.269 -0.091) 3.226 6.250 ( -3.480 -0.249 1.847) 3.948 6.444 ( -1.320 -2.002 -4.010) 4.673 6.576 ( 5.331 3.704 -0.059) 6.492 6.658 ( -2.089 1.715 1.874) 3.289 6.963 ( 1.521 -1.882 -5.581) 6.083 7.354 ( -1.856 -4.052 0.001) 4.456 7.402 ( 2.182 1.774 0.200) 2.819 7.603 ( -1.274 4.381 5.934) 7.485 7.986 ( 0.023 -1.041 -6.811) 6.891 8.134 ( 2.532 -1.957 3.690) 4.884 8.445 ( -1.186 1.628 -4.360) 4.803 9.280 ( -0.575 1.411 -2.079) 2.577 9.315 ( -0.091 0.710 -0.631) 0.955 ======================= Grid point 181 (85/160) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -2.690 6.280 -2.918) 7.429 1.538 ( -0.170 3.816 7.602) 8.507 1.807 ( 1.322 -5.484 -3.274) 6.523 1.927 ( 2.755 -4.692 0.323) 5.451 2.089 ( -6.759 2.980 1.899) 7.627 2.184 ( 0.142 -7.600 -6.611) 10.074 2.415 ( 6.725 -1.761 -1.706) 7.158 2.455 ( -1.457 -2.170 -1.984) 3.281 2.703 ( -4.127 4.857 3.075) 7.077 2.795 ( 0.406 5.932 2.539) 6.465 2.884 ( 2.608 2.486 -3.392) 4.948 3.037 ( 3.296 -1.220 1.458) 3.804 3.086 ( 2.656 2.002 1.017) 3.478 3.162 ( 3.672 3.632 -1.836) 5.481 3.358 ( -4.581 -4.810 -2.864) 7.234 3.528 ( -2.332 0.180 2.407) 3.356 3.678 ( 0.898 -5.428 -10.827) 12.145 3.865 ( -0.766 2.898 -4.541) 5.441 4.276 ( -1.133 1.063 4.293) 4.566 4.421 ( -1.649 0.806 1.901) 2.643 4.470 ( 0.988 -0.428 2.884) 3.078 4.671 ( 0.599 -0.562 0.450) 0.937 4.710 ( -1.203 -0.924 -0.797) 1.713 4.831 ( -0.470 -2.967 -2.882) 4.163 5.038 ( 7.812 0.102 1.452) 7.946 5.257 ( -6.231 -0.542 3.638) 7.236 5.793 ( 3.617 3.889 10.114) 11.423 6.038 ( -6.702 -0.019 1.579) 6.886 6.165 ( -3.395 2.620 3.848) 5.761 6.312 ( 3.120 -2.941 -0.415) 4.308 6.460 ( -0.795 -1.310 -3.648) 3.957 6.536 ( 3.707 4.583 -0.196) 5.898 6.643 ( -1.251 -1.159 1.223) 2.098 7.002 ( 2.624 -1.562 -6.108) 6.829 7.296 ( 0.255 8.498 1.144) 8.579 7.393 ( -3.730 -1.188 -0.557) 3.954 7.642 ( -0.757 -7.355 5.881) 9.447 7.987 ( 0.244 0.221 -6.969) 6.976 8.206 ( 1.407 -3.419 2.912) 4.707 8.434 ( 0.710 -1.668 -5.462) 5.755 9.252 ( 0.520 0.882 -1.532) 1.843 9.323 ( 0.897 -0.906 0.675) 1.442 ======================= Grid point 182 (86/160) ======================= q-point: (-0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -5.150 12.171 2.961) 13.543 1.425 ( -4.039 9.360 13.686) 17.065 1.852 ( -3.944 -4.264 -1.733) 6.061 2.032 ( 6.665 -2.503 -2.095) 7.421 2.134 ( -5.619 -8.842 -1.141) 10.539 2.282 ( -0.841 -3.545 -4.171) 5.538 2.444 ( 4.321 2.830 0.329) 5.175 2.529 ( 3.534 -2.115 3.475) 5.389 2.604 ( -0.472 2.088 6.626) 6.963 2.694 ( 2.153 4.921 0.787) 5.428 2.887 ( 3.924 -1.363 -2.969) 5.106 2.992 ( 0.664 7.419 -1.482) 7.595 3.102 ( 4.195 -0.470 3.830) 5.700 3.201 ( 4.427 -3.173 1.282) 5.596 3.387 ( -2.063 -0.602 -3.506) 4.112 3.516 ( -5.865 -2.261 -1.624) 6.492 3.705 ( -6.020 -1.903 -7.885) 10.101 3.860 ( 1.312 -2.743 -9.254) 9.740 4.258 ( -0.440 0.550 1.943) 2.066 4.377 ( -1.194 3.173 0.733) 3.469 4.490 ( 1.565 0.223 2.144) 2.664 4.655 ( -0.907 1.797 0.205) 2.023 4.696 ( -2.362 0.571 -1.672) 2.949 4.877 ( 0.508 -1.912 -3.593) 4.101 5.105 ( 7.260 -0.781 1.363) 7.428 5.239 ( -4.637 -1.905 2.977) 5.830 5.764 ( 3.607 3.559 9.080) 10.398 5.977 ( -4.720 1.656 0.727) 5.054 6.109 ( -2.695 1.753 5.795) 6.627 6.377 ( 2.346 -2.144 -0.753) 3.266 6.460 ( 0.415 2.550 -0.098) 2.585 6.492 ( 0.880 0.324 -3.837) 3.950 6.669 ( -0.142 -1.514 1.324) 2.016 6.999 ( 0.739 4.368 -3.166) 5.445 7.200 ( 1.742 0.803 0.249) 1.934 7.372 ( -3.104 0.578 -0.754) 3.246 7.768 ( -1.941 -6.458 1.335) 6.874 7.974 ( 0.002 0.089 -7.163) 7.163 8.280 ( -1.540 -5.224 3.779) 6.629 8.499 ( 1.746 -4.457 -3.632) 6.009 9.257 ( 1.553 -0.517 0.493) 1.710 9.363 ( 2.459 -2.433 1.351) 3.714 ======================= Grid point 183 (87/160) ======================= q-point: (-0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.659 5.312 15.193) 16.108 1.219 ( -6.456 10.042 19.044) 22.476 1.932 ( -0.742 -4.996 0.163) 5.053 2.044 ( 2.797 5.509 8.027) 10.129 2.215 ( -9.746 -5.928 -0.499) 11.418 2.268 ( -0.239 3.123 0.454) 3.165 2.419 ( -0.448 2.887 7.045) 7.626 2.496 ( 5.989 2.262 1.057) 6.489 2.667 ( 1.242 -2.472 -5.530) 6.184 2.751 ( 6.712 -5.963 2.457) 9.308 2.849 ( -0.984 5.413 -1.375) 5.671 2.995 ( 5.108 -4.186 1.099) 6.695 3.110 ( -0.032 1.155 2.520) 2.772 3.282 ( 9.283 4.720 3.166) 10.885 3.358 ( -3.737 -4.092 -3.726) 6.678 3.511 ( -6.669 -2.418 -3.522) 7.920 3.710 ( -5.240 -4.595 -8.459) 10.960 3.907 ( -0.587 -2.896 -11.582) 11.953 4.256 ( 0.839 0.365 -0.568) 1.077 4.296 ( -1.193 4.396 0.086) 4.556 4.459 ( -0.019 4.461 -0.104) 4.462 4.602 ( -1.115 3.756 -3.932) 5.551 4.682 ( -0.208 -1.324 1.289) 1.860 4.898 ( -0.010 -0.763 -2.466) 2.582 5.148 ( -4.131 -2.139 0.673) 4.700 5.264 ( 2.972 -0.929 0.290) 3.128 5.744 ( 4.307 2.980 7.429) 9.089 5.940 ( 1.604 0.404 -0.381) 1.698 6.070 ( -2.843 1.337 7.594) 8.219 6.402 ( 0.344 3.313 1.018) 3.483 6.418 ( 1.572 -0.873 -1.375) 2.263 6.514 ( 0.383 -2.167 -3.931) 4.506 6.660 ( -1.365 2.622 0.314) 2.973 6.917 ( 1.243 3.810 -1.587) 4.310 7.228 ( 0.878 0.717 -0.036) 1.134 7.347 ( -0.050 -1.243 -1.177) 1.713 7.835 ( -0.865 -3.052 -1.676) 3.588 7.978 ( -1.842 -1.858 -6.218) 6.746 8.379 ( -3.160 -7.234 5.047) 9.369 8.577 ( -0.411 -3.399 -1.240) 3.641 9.286 ( 1.292 -1.045 2.203) 2.759 9.459 ( 4.063 -5.677 0.577) 7.005 ======================= Grid point 186 (88/160) ======================= q-point: ( 0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 6.133 0.000 20.982) 21.860 1.400 ( 8.836 0.000 20.046) 21.907 1.822 ( -17.766 -0.000 4.066) 18.226 1.894 ( 0.976 0.000 10.795) 10.839 2.146 ( 1.217 0.000 -4.489) 4.652 2.171 ( -0.422 -0.000 -8.939) 8.949 2.312 ( -1.524 -0.000 13.025) 13.114 2.565 ( -4.105 -0.000 4.064) 5.776 2.641 ( -6.096 -0.000 -7.528) 9.687 2.777 ( 4.734 0.000 -2.757) 5.479 2.962 ( 0.051 0.000 3.586) 3.587 3.052 ( -0.282 -0.000 0.921) 0.963 3.160 ( -2.612 -0.000 2.639) 3.713 3.168 ( -5.695 -0.000 -3.337) 6.601 3.477 ( -1.083 -0.000 1.666) 1.987 3.557 ( 6.170 0.000 4.202) 7.465 3.852 ( -1.941 -0.000 -4.071) 4.510 3.867 ( 6.770 0.000 -4.045) 7.886 4.214 ( 3.774 0.000 -4.349) 5.758 4.274 ( -0.008 -0.000 -1.973) 1.973 4.364 ( 3.478 0.000 -1.381) 3.742 4.405 ( -3.084 -0.000 -4.108) 5.137 4.730 ( -2.064 -0.000 -2.238) 3.045 4.880 ( 1.326 0.000 -4.565) 4.754 5.047 ( 0.120 0.000 0.668) 0.679 5.236 ( -2.415 -0.000 -2.458) 3.446 5.845 ( 4.792 0.000 4.136) 6.330 5.948 ( -3.182 -0.000 7.743) 8.371 6.203 ( 5.624 0.000 -5.977) 8.207 6.330 ( -5.790 -0.000 -1.574) 6.000 6.406 ( 2.518 0.000 3.751) 4.518 6.571 ( 0.652 0.000 -4.854) 4.898 6.747 ( 3.526 0.000 -1.895) 4.003 6.799 ( 4.153 0.000 -7.359) 8.450 7.172 ( 0.366 0.000 5.124) 5.137 7.520 ( 3.122 0.000 -1.122) 3.318 7.943 ( 0.534 0.000 -4.650) 4.681 7.949 ( 2.155 0.000 1.522) 2.638 8.381 ( -9.049 -0.000 9.290) 12.968 8.548 ( -2.478 -0.000 3.236) 4.076 9.306 ( -1.625 -0.000 1.950) 2.539 9.542 ( -7.077 -0.000 -5.665) 9.065 ======================= Grid point 187 (89/160) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 9.424 -1.824 16.783) 19.334 1.456 ( 9.753 2.450 16.725) 19.515 1.727 ( -13.311 -2.561 5.591) 14.663 1.939 ( -3.438 -2.514 2.265) 4.824 2.096 ( 0.767 3.041 -4.208) 5.248 2.166 ( -0.930 -0.263 -5.993) 6.071 2.303 ( -8.489 -2.064 6.337) 10.792 2.544 ( -7.358 4.040 -7.180) 11.046 2.627 ( 2.822 -5.115 4.313) 7.261 2.782 ( 4.768 3.297 -1.076) 5.896 2.966 ( -1.886 2.447 4.953) 5.838 3.016 ( -2.715 -4.704 -0.074) 5.432 3.137 ( -1.736 -0.445 -3.875) 4.269 3.207 ( -4.960 -3.782 3.148) 6.987 3.456 ( 3.352 2.329 1.209) 4.257 3.610 ( 3.838 -1.042 3.329) 5.187 3.738 ( 0.019 7.762 -1.319) 7.873 3.941 ( 5.291 -0.024 -3.300) 6.236 4.264 ( 1.996 -3.097 -1.604) 4.018 4.278 ( 0.136 -0.984 -2.026) 2.256 4.368 ( -3.179 -0.614 -0.292) 3.251 4.443 ( 2.713 -3.716 -3.256) 5.637 4.700 ( -0.321 1.943 -4.178) 4.619 4.893 ( 2.517 -0.196 -5.645) 6.184 5.029 ( -0.226 2.062 1.246) 2.420 5.233 ( -2.510 -1.830 -2.540) 4.013 5.900 ( 4.804 -1.044 5.234) 7.181 5.948 ( -2.495 -1.539 6.347) 6.991 6.213 ( 3.529 1.879 -5.142) 6.513 6.297 ( -5.465 -1.391 -1.488) 5.832 6.440 ( 2.190 0.351 2.232) 3.147 6.575 ( 0.313 -2.108 -2.587) 3.352 6.675 ( 3.752 4.488 -3.111) 6.625 6.902 ( -0.426 -3.117 -3.768) 4.908 7.201 ( 2.663 -2.477 2.477) 4.400 7.507 ( 2.365 3.436 -1.749) 4.523 7.896 ( 1.671 4.469 -1.461) 4.990 7.976 ( 1.552 -0.058 -0.951) 1.822 8.288 ( -6.374 4.213 9.965) 12.557 8.533 ( -3.335 -0.081 2.752) 4.324 9.295 ( -1.673 -0.056 1.097) 2.001 9.467 ( -5.787 1.855 -4.941) 7.833 ======================= Grid point 188 (90/160) ======================= q-point: ( 0.44 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 10.661 -2.883 11.189) 15.721 1.503 ( 6.140 0.366 8.535) 10.520 1.725 ( -3.068 -1.106 10.031) 10.548 1.885 ( -1.323 2.893 -3.718) 4.893 2.112 ( -0.283 -2.770 -2.701) 3.880 2.172 ( -2.499 -3.169 -1.646) 4.358 2.255 ( -12.378 0.017 -1.687) 12.492 2.418 ( -5.398 1.732 -2.303) 6.119 2.744 ( 1.733 -1.874 -0.134) 2.556 2.762 ( 3.454 -2.495 -4.993) 6.563 2.931 ( -1.990 0.895 3.668) 4.268 3.084 ( -5.001 -2.834 -2.283) 6.185 3.131 ( -2.961 -1.625 -5.588) 6.529 3.207 ( -0.956 0.529 7.422) 7.502 3.464 ( 8.011 2.778 -0.154) 8.480 3.576 ( -3.043 4.653 -4.634) 7.238 3.670 ( 4.644 2.064 5.413) 7.425 3.954 ( 5.650 1.810 -2.929) 6.617 4.297 ( -5.663 -1.235 3.320) 6.680 4.309 ( 0.972 -2.087 -0.215) 2.312 4.403 ( 1.372 -5.162 -0.541) 5.369 4.528 ( 2.927 -3.535 -1.872) 4.957 4.648 ( -0.341 3.165 -2.948) 4.339 4.891 ( 0.132 1.801 -5.035) 5.349 4.998 ( 2.262 1.242 1.086) 2.800 5.246 ( -3.606 -2.089 -1.450) 4.412 5.919 ( -0.402 1.240 9.253) 9.345 5.997 ( 1.400 -3.017 2.464) 4.140 6.190 ( 2.214 1.878 -5.058) 5.832 6.289 ( -4.423 -1.381 0.019) 4.634 6.412 ( 1.175 2.503 -0.613) 2.832 6.628 ( 0.005 -0.028 -3.903) 3.903 6.691 ( 3.692 -4.934 1.704) 6.393 6.881 ( -2.041 2.259 1.169) 3.261 7.289 ( 2.279 -3.632 -0.339) 4.302 7.446 ( 2.083 4.286 -2.444) 5.356 7.821 ( 1.986 5.379 -0.528) 5.758 7.970 ( -0.351 0.971 -2.776) 2.962 8.189 ( -1.189 4.260 8.930) 9.965 8.503 ( -3.405 0.866 1.004) 3.654 9.287 ( -1.314 -0.226 0.257) 1.358 9.391 ( -3.742 2.164 -4.450) 6.204 ======================= Grid point 189 (91/160) ======================= q-point: ( 0.56 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 10.230 -3.071 6.901) 12.717 1.566 ( 5.045 -2.678 2.250) 6.139 1.671 ( -0.560 4.129 3.563) 5.483 1.895 ( 2.146 -1.081 2.075) 3.174 2.076 ( -6.967 2.572 -0.986) 7.492 2.220 ( -3.442 -4.673 -4.803) 7.533 2.246 ( 1.693 -4.739 -1.159) 5.164 2.374 ( -7.584 -0.564 -2.649) 8.053 2.769 ( 4.542 -1.547 0.188) 4.802 2.860 ( -2.203 2.469 1.105) 3.489 2.880 ( -3.799 -4.136 -7.957) 9.739 3.045 ( -3.706 0.317 -3.679) 5.232 3.116 ( -3.480 0.174 -5.341) 6.377 3.213 ( -1.869 -0.873 5.290) 5.678 3.410 ( 6.623 7.807 -0.708) 10.262 3.553 ( 2.645 -1.209 -3.429) 4.497 3.648 ( 2.592 4.070 3.372) 5.887 3.960 ( 3.419 1.718 -3.106) 4.928 4.275 ( -4.292 -0.930 4.906) 6.584 4.363 ( 0.527 -2.833 2.424) 3.766 4.501 ( 1.736 -2.045 -1.054) 2.882 4.596 ( -0.678 -2.730 -1.540) 3.207 4.607 ( 1.691 -0.851 1.669) 2.524 4.833 ( -1.546 2.654 -2.379) 3.885 5.025 ( 5.584 -0.356 0.320) 5.604 5.239 ( -5.706 -1.021 0.018) 5.797 5.893 ( -2.750 1.239 9.561) 10.026 6.032 ( 1.026 0.644 1.551) 1.968 6.204 ( 2.375 -2.209 -2.659) 4.194 6.259 ( -2.997 1.678 2.227) 4.094 6.404 ( 0.332 -0.884 -3.130) 3.269 6.611 ( -2.089 0.306 -2.386) 3.186 6.740 ( 3.857 4.208 3.337) 6.613 6.902 ( 0.231 -5.707 -0.524) 5.736 7.312 ( -0.466 0.715 -0.406) 0.945 7.425 ( 2.162 0.025 -0.667) 2.262 7.724 ( 0.819 7.493 1.890) 7.771 7.955 ( -0.561 -0.950 -5.572) 5.680 8.153 ( 2.416 1.387 6.026) 6.639 8.457 ( -2.621 1.534 -1.799) 3.529 9.283 ( -0.869 -0.160 -0.622) 1.081 9.329 ( -2.064 1.739 -3.448) 4.379 ======================= Grid point 190 (92/160) ======================= q-point: (-0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 3.415 3.217 0.358) 4.705 1.623 ( 3.433 3.353 5.045) 6.963 1.710 ( 4.265 -7.286 0.335) 8.449 1.902 ( 1.736 -0.112 2.101) 2.728 2.049 ( -3.860 -4.056 -3.954) 6.854 2.162 ( -5.574 7.886 -4.121) 10.500 2.339 ( -2.979 -6.743 -1.833) 7.596 2.407 ( 4.740 -5.314 -2.937) 7.703 2.729 ( -7.119 3.576 0.783) 8.005 2.849 ( 3.176 -1.877 1.485) 3.977 2.925 ( 0.540 0.140 -5.963) 5.989 3.024 ( -0.775 -0.435 -0.791) 1.190 3.102 ( 0.232 -1.141 -1.571) 1.955 3.213 ( -5.773 -2.362 -1.110) 6.335 3.331 ( 6.220 6.554 -2.323) 9.329 3.573 ( 0.994 3.596 5.524) 6.666 3.612 ( 1.731 -1.402 -7.963) 8.268 3.924 ( 1.045 3.618 -3.896) 5.419 4.277 ( -1.944 -0.758 5.449) 5.834 4.404 ( -0.674 -1.259 2.434) 2.822 4.490 ( 0.873 1.374 1.397) 2.145 4.639 ( -1.714 -2.777 -0.278) 3.275 4.673 ( 0.369 -2.473 0.867) 2.646 4.801 ( 1.400 -0.171 -1.754) 2.250 5.087 ( 7.264 -1.054 1.426) 7.478 5.200 ( -7.553 -0.324 1.579) 7.723 5.859 ( -3.811 1.034 9.853) 10.615 6.014 ( 0.404 1.623 1.012) 1.955 6.196 ( -2.341 2.583 4.156) 5.424 6.282 ( 3.383 -3.114 -1.103) 4.729 6.424 ( -0.348 -1.568 -3.987) 4.298 6.583 ( -2.903 0.534 -0.843) 3.070 6.689 ( 3.796 4.327 2.863) 6.429 6.984 ( 2.385 -2.336 -4.693) 5.760 7.321 ( -2.335 -2.866 0.130) 3.699 7.428 ( 1.469 3.091 -0.777) 3.510 7.600 ( -0.844 4.296 6.457) 7.802 7.974 ( 0.329 -1.223 -6.333) 6.458 8.177 ( 1.543 -1.304 3.095) 3.696 8.419 ( -0.651 0.411 -4.635) 4.699 9.270 ( -0.086 0.902 -1.978) 2.176 9.308 ( -0.680 -0.735 -0.903) 1.348 ======================= Grid point 191 (93/160) ======================= q-point: (-0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -2.160 10.307 -0.556) 10.546 1.573 ( 2.469 6.484 9.499) 11.763 1.776 ( -5.464 0.312 -3.268) 6.374 1.988 ( 2.211 -3.428 -3.604) 5.444 2.013 ( 0.620 -3.749 1.955) 4.273 2.150 ( -1.730 -7.449 -8.566) 11.483 2.434 ( -1.323 -6.041 0.922) 6.253 2.511 ( 5.220 -0.371 -2.169) 5.665 2.668 ( -0.556 0.344 2.983) 3.053 2.807 ( 0.713 5.598 4.065) 6.955 2.921 ( 2.503 1.756 -1.852) 3.575 3.069 ( -0.168 -2.557 -0.831) 2.694 3.114 ( 0.819 0.364 3.330) 3.449 3.191 ( 0.200 1.966 -3.912) 4.383 3.320 ( 1.456 -3.574 -5.493) 6.713 3.510 ( -0.905 3.297 4.405) 5.577 3.637 ( -2.990 -1.490 -10.380) 10.904 3.865 ( 1.698 2.838 -5.165) 6.133 4.272 ( -0.354 0.767 4.392) 4.472 4.403 ( -0.939 0.556 0.959) 1.453 4.501 ( 1.945 -0.532 3.744) 4.253 4.652 ( -2.830 -0.256 0.331) 2.861 4.676 ( -2.802 -0.210 -0.377) 2.835 4.848 ( 2.839 -2.143 -3.127) 4.736 5.127 ( -4.018 0.685 1.889) 4.492 5.192 ( 4.046 -2.688 3.146) 5.787 5.824 ( -3.440 0.823 9.439) 10.080 5.987 ( 0.876 2.106 1.323) 2.638 6.143 ( -0.429 2.730 4.722) 5.471 6.352 ( 1.968 -2.397 -0.121) 3.104 6.445 ( -0.025 -1.594 -3.910) 4.223 6.540 ( -2.015 2.487 -1.057) 3.371 6.669 ( 2.806 0.770 2.573) 3.884 7.023 ( 1.424 -0.962 -6.315) 6.544 7.304 ( 0.778 8.812 0.542) 8.863 7.347 ( -1.705 -1.413 -0.048) 2.215 7.637 ( -1.519 -6.233 5.390) 8.379 7.978 ( 0.494 0.265 -6.001) 6.027 8.204 ( -2.363 -1.876 1.475) 3.358 8.443 ( 1.875 -3.011 -4.727) 5.910 9.263 ( 1.119 0.012 -0.573) 1.257 9.331 ( 0.167 -2.222 -0.386) 2.262 ======================= Grid point 192 (94/160) ======================= q-point: (-0.11 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -1.542 10.751 5.902) 12.361 1.397 ( -3.390 12.001 13.610) 18.459 1.801 ( -1.849 -6.696 -3.148) 7.627 2.029 ( -6.474 -3.973 -2.063) 7.871 2.126 ( 3.639 -2.478 0.147) 4.405 2.262 ( 0.243 -4.935 -5.407) 7.324 2.490 ( 2.040 2.329 2.909) 4.248 2.539 ( -3.088 -5.694 -2.448) 6.925 2.622 ( 1.632 6.715 4.931) 8.490 2.774 ( 6.385 0.443 4.402) 7.767 2.938 ( 1.301 2.626 -0.673) 3.007 2.996 ( 2.594 1.642 -0.089) 3.071 3.141 ( 0.535 1.335 2.081) 2.530 3.233 ( 0.129 -6.048 -0.087) 6.050 3.394 ( -0.087 -3.179 -6.339) 7.092 3.456 ( 0.760 3.301 2.608) 4.275 3.611 ( -3.578 -1.672 -9.814) 10.579 3.852 ( 0.565 -0.759 -8.443) 8.496 4.264 ( 0.797 0.460 1.805) 2.026 4.370 ( 0.277 3.252 0.525) 3.306 4.515 ( 0.447 1.385 3.005) 3.339 4.621 ( -3.347 0.741 -0.022) 3.428 4.655 ( -2.295 -0.182 -1.128) 2.564 4.886 ( 1.239 -0.810 -3.247) 3.569 5.079 ( -7.281 -0.575 1.846) 7.533 5.279 ( 5.470 -1.493 2.195) 6.080 5.806 ( -0.719 0.339 8.140) 8.179 5.970 ( 3.983 1.384 0.731) 4.280 6.099 ( -0.428 2.744 5.397) 6.070 6.393 ( -0.341 -1.742 -0.267) 1.795 6.455 ( -0.557 2.062 -1.290) 2.495 6.491 ( 0.769 -0.426 -3.401) 3.513 6.691 ( 1.627 0.160 2.481) 2.972 6.984 ( -1.780 4.331 -3.588) 5.899 7.239 ( 3.084 0.008 -0.149) 3.088 7.344 ( -0.147 0.672 -0.847) 1.091 7.739 ( -2.184 -5.929 0.999) 6.397 7.965 ( 0.657 0.816 -6.029) 6.120 8.237 ( -4.838 -5.202 3.389) 7.871 8.516 ( 1.170 -3.708 -2.497) 4.621 9.280 ( 1.196 -0.752 1.010) 1.737 9.390 ( 0.930 -4.164 -0.523) 4.299 ======================= Grid point 196 (95/160) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 14.032 0.000 15.761) 21.102 1.540 ( -1.443 -0.000 11.251) 11.343 1.618 ( -4.629 -0.000 9.334) 10.419 1.873 ( -4.230 -0.000 4.024) 5.838 2.148 ( 0.916 0.000 -5.771) 5.843 2.159 ( 0.915 0.000 -6.915) 6.975 2.199 ( -13.133 -0.000 -0.914) 13.165 2.515 ( -6.899 -0.000 -8.542) 10.980 2.661 ( 10.690 0.000 14.492) 18.008 2.851 ( 4.697 0.000 -1.404) 4.902 2.919 ( -6.125 -0.000 -2.033) 6.454 2.978 ( -8.542 -0.000 3.751) 9.329 3.109 ( -2.612 -0.000 -3.604) 4.451 3.125 ( -2.481 -0.000 7.171) 7.588 3.506 ( 4.121 0.000 0.910) 4.221 3.611 ( 0.672 0.000 3.111) 3.182 3.840 ( 0.721 0.000 1.964) 2.092 3.948 ( 3.680 0.000 2.822) 4.638 4.254 ( 2.438 0.000 -4.821) 5.403 4.277 ( 0.727 0.000 -0.970) 1.212 4.327 ( -3.996 -0.000 -2.510) 4.719 4.438 ( 5.246 0.000 -3.052) 6.069 4.713 ( 0.674 0.000 -6.587) 6.621 4.909 ( 3.924 0.000 -8.238) 9.124 5.049 ( -0.679 -0.000 1.896) 2.014 5.196 ( -1.901 -0.000 -3.841) 4.285 5.929 ( 5.575 0.000 3.414) 6.537 5.936 ( -0.651 -0.000 8.330) 8.355 6.239 ( -5.829 -0.000 -0.555) 5.855 6.241 ( 1.228 0.000 -4.373) 4.542 6.456 ( 3.243 0.000 2.825) 4.301 6.560 ( -0.430 -0.000 -5.158) 5.176 6.788 ( 2.028 0.000 -2.159) 2.962 6.801 ( -2.051 -0.000 -8.126) 8.381 7.211 ( 3.433 0.000 4.166) 5.398 7.553 ( 1.742 0.000 -1.685) 2.423 7.969 ( 3.782 0.000 -3.355) 5.056 7.972 ( 0.017 0.000 2.390) 2.390 8.294 ( -4.713 -0.000 11.575) 12.497 8.508 ( -3.647 -0.000 3.288) 4.910 9.280 ( -1.986 -0.000 0.546) 2.059 9.428 ( -6.573 -0.000 -5.271) 8.425 ======================= Grid point 197 (96/160) ======================= q-point: ( 0.44 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 12.700 0.454 11.601) 17.207 1.502 ( -7.051 -1.381 7.294) 10.238 1.688 ( 6.194 -3.931 12.372) 14.383 1.884 ( -3.982 -2.506 2.144) 5.170 2.074 ( -6.188 0.594 -5.491) 8.294 2.144 ( -1.210 0.193 -2.331) 2.633 2.173 ( -2.561 0.384 -2.905) 3.891 2.423 ( -5.960 3.450 -7.906) 10.485 2.712 ( 4.347 0.981 3.085) 5.420 2.819 ( 0.215 3.331 -1.418) 3.626 2.912 ( -7.583 -2.335 3.133) 8.531 2.981 ( 0.248 -3.244 3.211) 4.572 3.081 ( -3.548 -1.300 -4.630) 5.977 3.171 ( -2.496 -3.615 7.906) 9.045 3.521 ( 4.444 1.204 -0.111) 4.606 3.631 ( 1.173 0.230 -0.230) 1.218 3.773 ( 2.828 5.882 6.014) 8.875 4.006 ( 3.184 -1.220 2.732) 4.370 4.242 ( -3.222 1.078 -0.658) 3.461 4.287 ( 1.264 -2.036 -3.794) 4.488 4.339 ( -0.139 -2.561 -0.687) 2.655 4.499 ( 4.511 -2.589 -2.676) 5.849 4.694 ( 0.516 2.077 -6.281) 6.635 4.919 ( 2.030 1.233 -8.479) 8.805 5.035 ( 1.123 0.799 1.392) 1.959 5.191 ( -2.034 -1.139 -3.361) 4.090 5.928 ( -1.865 1.218 7.623) 7.942 5.995 ( 6.171 -1.839 4.010) 7.585 6.219 ( -4.157 -1.831 -0.712) 4.598 6.227 ( -0.417 1.164 -3.142) 3.377 6.477 ( 2.327 2.123 -0.204) 3.156 6.572 ( -0.007 -3.275 -2.735) 4.266 6.688 ( -1.143 2.891 -3.968) 5.041 6.874 ( -2.085 -2.759 -2.376) 4.196 7.255 ( 3.611 -1.846 1.987) 4.516 7.531 ( 1.281 3.318 -2.033) 4.096 7.924 ( 1.417 4.294 0.283) 4.531 7.991 ( 1.351 1.215 -1.255) 2.208 8.258 ( -0.325 2.793 11.075) 11.426 8.484 ( -3.845 0.037 2.908) 4.821 9.270 ( -1.738 -0.344 -0.038) 1.772 9.373 ( -5.416 0.382 -5.095) 7.446 ======================= Grid point 198 (97/160) ======================= q-point: ( 0.56 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 2.707 -4.138 6.015) 7.787 1.521 ( 3.825 -1.204 8.542) 9.436 1.807 ( 4.938 2.814 7.580) 9.474 1.871 ( 1.284 -3.111 1.465) 3.671 2.061 ( -10.279 -0.665 -1.383) 10.393 2.112 ( 1.881 1.079 -2.775) 3.522 2.172 ( 1.647 -4.622 -1.654) 5.178 2.333 ( -4.648 1.559 -5.041) 7.032 2.755 ( 0.090 -4.469 -6.806) 8.143 2.791 ( 2.203 0.486 -1.126) 2.522 2.903 ( -3.409 0.233 5.143) 6.174 2.973 ( -7.601 -0.293 -3.121) 8.222 3.074 ( -2.847 -0.386 -5.309) 6.037 3.200 ( -3.855 -0.625 6.794) 7.836 3.547 ( 3.070 -0.265 -0.113) 3.083 3.588 ( 6.559 5.562 -2.408) 8.930 3.736 ( 2.777 3.055 5.934) 7.229 4.027 ( 4.467 2.254 -0.679) 5.049 4.211 ( -5.917 -1.698 3.197) 6.936 4.335 ( 2.212 -2.093 -0.544) 3.094 4.416 ( 0.368 -6.055 -0.384) 6.079 4.566 ( 1.721 -1.746 -3.214) 4.043 4.644 ( 0.681 2.670 -1.915) 3.355 4.873 ( -0.555 2.887 -4.393) 5.286 5.060 ( 5.137 -0.495 -0.542) 5.189 5.184 ( -4.036 -0.598 -2.258) 4.664 5.883 ( -4.944 1.560 7.043) 8.745 6.076 ( 6.144 -0.613 4.391) 7.577 6.195 ( 0.119 0.590 -3.925) 3.971 6.234 ( -3.043 -1.886 1.365) 3.831 6.431 ( 1.295 3.107 -2.270) 4.060 6.585 ( -3.897 -0.174 -4.115) 5.670 6.745 ( 2.751 -7.236 1.571) 7.899 6.858 ( -1.694 2.058 1.491) 3.054 7.314 ( 0.868 -1.389 0.011) 1.638 7.472 ( 1.919 3.501 -2.123) 4.522 7.854 ( 2.253 5.340 -0.259) 5.801 7.955 ( -0.118 2.312 -2.493) 3.402 8.223 ( 2.475 3.326 8.697) 9.635 8.455 ( -3.009 0.618 1.219) 3.305 9.266 ( -1.270 -0.589 -0.483) 1.481 9.325 ( -3.762 0.571 -4.502) 5.895 ======================= Grid point 199 (98/160) ======================= q-point: (-0.33 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -2.543 -3.955 3.167) 5.669 1.612 ( 7.770 -1.208 6.131) 9.971 1.752 ( 6.226 2.531 1.851) 6.971 1.946 ( -6.588 3.191 -0.011) 7.320 1.963 ( 4.234 -1.000 3.284) 5.451 2.183 ( -0.202 -6.537 -0.896) 6.601 2.250 ( -5.404 4.093 -6.883) 9.661 2.317 ( 5.833 -7.938 -2.360) 10.129 2.755 ( -7.531 5.533 -2.252) 9.613 2.830 ( 2.849 -2.499 1.280) 4.000 2.869 ( 1.836 -3.688 -9.109) 9.997 2.973 ( -5.478 -4.653 -0.224) 7.191 3.057 ( -2.942 -0.946 -5.852) 6.618 3.155 ( -7.086 0.821 5.801) 9.194 3.509 ( 7.638 6.837 -3.035) 10.691 3.604 ( 4.001 0.016 -2.705) 4.829 3.681 ( 0.726 5.268 4.919) 7.244 3.993 ( 1.889 3.675 -3.155) 5.199 4.226 ( -3.486 -3.197 6.015) 7.652 4.386 ( 1.579 -1.505 1.249) 2.513 4.508 ( -0.247 -1.542 -1.533) 2.189 4.564 ( -1.278 -2.286 -2.076) 3.342 4.651 ( 1.967 -0.991 1.727) 2.799 4.831 ( 1.883 1.657 -1.755) 3.061 5.116 ( 5.719 -1.181 1.237) 5.969 5.145 ( -6.276 0.223 -1.235) 6.400 5.827 ( -6.553 0.524 7.357) 9.866 6.083 ( 3.485 3.168 1.100) 4.836 6.212 ( -1.248 -0.190 4.788) 4.952 6.252 ( 2.326 -2.509 -1.661) 3.803 6.405 ( 0.174 0.156 -3.132) 3.141 6.557 ( -3.546 -0.273 -1.735) 3.957 6.788 ( 0.787 4.107 2.182) 4.717 6.912 ( 1.507 -7.445 -0.038) 7.596 7.294 ( -1.831 1.583 -0.792) 2.546 7.457 ( 2.118 0.494 -0.017) 2.175 7.745 ( 1.488 9.007 2.089) 9.366 7.944 ( 0.780 -1.370 -5.806) 6.017 8.198 ( 1.430 1.978 5.394) 5.921 8.423 ( -1.017 1.001 -1.697) 2.217 9.269 ( -0.656 -0.551 -0.892) 1.237 9.291 ( -2.007 0.184 -3.135) 3.727 ======================= Grid point 200 (99/160) ======================= q-point: (-0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -0.234 6.016 1.231) 6.145 1.662 ( 1.685 -1.083 1.635) 2.586 1.796 ( 2.223 4.854 2.221) 5.782 1.929 ( 0.901 -5.858 3.072) 6.675 1.990 ( -0.949 -1.363 -1.210) 2.055 2.087 ( -0.724 6.183 -9.629) 11.466 2.309 ( -0.642 -6.959 0.864) 7.042 2.501 ( 7.609 -5.946 -3.936) 10.428 2.637 ( -4.991 -0.028 0.093) 4.992 2.872 ( -0.035 0.881 1.636) 1.858 2.936 ( 1.917 -2.118 -5.337) 6.054 3.009 ( -2.000 -2.617 1.252) 3.524 3.081 ( -1.628 -4.155 -2.787) 5.262 3.114 ( -6.691 -2.893 0.633) 7.317 3.428 ( 7.377 8.080 -5.667) 12.321 3.589 ( -0.439 5.349 5.005) 7.339 3.606 ( -0.285 0.892 -6.587) 6.653 3.935 ( 1.183 3.588 -3.356) 5.053 4.266 ( -1.032 -2.084 5.821) 6.268 4.402 ( 0.197 0.090 1.054) 1.076 4.507 ( 0.413 -0.292 2.433) 2.485 4.612 ( -0.999 -2.248 -1.325) 2.794 4.665 ( -0.939 0.475 0.760) 1.298 4.845 ( 3.683 -0.611 -1.680) 4.094 5.085 ( -7.602 0.302 0.472) 7.623 5.196 ( 6.181 -2.454 3.396) 7.467 5.786 ( -6.390 -0.549 7.950) 10.215 6.054 ( 3.245 2.857 1.158) 4.476 6.192 ( 0.186 1.865 4.560) 4.930 6.322 ( 1.822 -2.650 0.914) 3.343 6.414 ( 0.048 -1.393 -3.418) 3.691 6.536 ( -2.645 -0.020 -1.176) 2.895 6.726 ( 0.260 3.257 1.988) 3.825 7.005 ( 1.402 -1.901 -5.180) 5.693 7.292 ( -1.517 -3.037 0.592) 3.446 7.448 ( 1.627 3.852 -1.171) 4.342 7.605 ( -0.261 5.184 6.681) 8.460 7.972 ( 1.188 -1.010 -5.816) 6.021 8.181 ( -1.545 0.679 1.915) 2.553 8.416 ( 1.288 -0.821 -4.181) 4.451 9.270 ( 0.583 0.042 -0.922) 1.092 9.292 ( -1.042 -1.698 -1.677) 2.604 ======================= Grid point 201 (100/160) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -0.144 11.272 0.733) 11.297 1.600 ( -4.452 12.327 5.463) 14.199 1.698 ( 0.034 -2.920 -1.708) 3.383 1.966 ( -2.054 0.969 -1.234) 2.584 2.046 ( -0.448 -7.121 -1.302) 7.253 2.164 ( 6.226 -6.856 -6.285) 11.192 2.407 ( -2.944 -5.282 1.040) 6.136 2.545 ( 0.583 1.403 -1.531) 2.157 2.700 ( 3.122 -1.706 -0.548) 3.599 2.837 ( 1.955 2.211 4.875) 5.699 2.952 ( 1.973 -0.581 0.031) 2.057 3.031 ( -2.946 -0.532 -0.957) 3.143 3.136 ( 0.559 -3.204 2.021) 3.830 3.153 ( -3.052 -3.477 -1.477) 4.856 3.362 ( 4.325 2.856 -8.467) 9.927 3.516 ( 0.564 2.779 2.665) 3.892 3.566 ( -3.092 0.510 -8.527) 9.085 3.887 ( 2.377 2.918 -4.411) 5.798 4.285 ( 0.561 0.304 4.746) 4.789 4.404 ( 0.863 0.367 1.548) 1.810 4.521 ( -1.403 -0.562 4.032) 4.306 4.610 ( -2.167 0.916 -0.557) 2.417 4.645 ( -0.369 0.542 -0.475) 0.810 4.878 ( 1.440 -0.839 -2.771) 3.234 5.027 ( -6.646 0.204 1.428) 6.801 5.288 ( 4.600 -2.261 4.099) 6.563 5.775 ( -3.837 -1.792 8.051) 9.097 6.040 ( 4.760 2.151 1.147) 5.348 6.160 ( 0.604 2.920 4.729) 5.591 6.360 ( -1.332 -1.346 0.935) 2.112 6.448 ( 1.650 -2.065 -2.845) 3.883 6.505 ( -1.779 1.580 -2.031) 3.128 6.699 ( 0.307 0.128 2.275) 2.299 7.008 ( -1.380 0.662 -7.211) 7.371 7.323 ( 1.768 4.919 0.720) 5.276 7.350 ( 1.544 1.155 0.194) 1.939 7.623 ( -1.640 -5.089 5.194) 7.454 7.980 ( 1.291 0.424 -5.122) 5.299 8.155 ( -3.872 -0.481 0.826) 3.988 8.461 ( 1.446 -3.140 -3.940) 5.242 9.280 ( 1.023 -0.371 0.226) 1.111 9.327 ( -0.411 -3.134 -1.715) 3.596 ======================= Grid point 206 (101/160) ======================= q-point: ( 0.44 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -10.882 -0.000 7.310) 13.109 1.521 ( 15.062 0.000 12.402) 19.511 1.712 ( 5.536 0.000 10.825) 12.158 1.814 ( -4.611 -0.000 2.724) 5.355 1.981 ( -12.749 -0.000 -3.095) 13.119 2.163 ( 2.904 0.000 -6.470) 7.092 2.184 ( 3.693 0.000 -6.665) 7.619 2.417 ( -3.979 -0.000 -7.228) 8.251 2.770 ( -7.098 -0.000 10.824) 12.944 2.786 ( -7.652 -0.000 -4.450) 8.852 2.921 ( 5.811 0.000 5.046) 7.696 2.929 ( 4.296 0.000 0.832) 4.376 3.044 ( -5.327 -0.000 -1.095) 5.438 3.112 ( -1.840 -0.000 7.688) 7.905 3.580 ( 5.048 0.000 -0.707) 5.098 3.628 ( 1.782 0.000 2.480) 3.054 3.866 ( 1.346 0.000 5.270) 5.439 3.988 ( 0.688 0.000 8.266) 8.294 4.266 ( 0.820 0.000 -5.209) 5.273 4.280 ( -1.603 -0.000 -4.656) 4.924 4.291 ( 1.057 0.000 0.920) 1.401 4.504 ( 3.997 0.000 -3.683) 5.435 4.709 ( 0.368 0.000 -7.529) 7.538 4.942 ( 2.597 0.000 -12.711) 12.974 5.038 ( -0.761 -0.000 2.121) 2.253 5.173 ( 0.169 0.000 -3.289) 3.294 5.957 ( 0.658 0.000 9.515) 9.538 6.016 ( 4.336 0.000 2.209) 4.866 6.164 ( -3.611 -0.000 1.953) 4.105 6.230 ( -1.314 -0.000 -3.454) 3.695 6.510 ( 3.331 0.000 0.629) 3.389 6.544 ( -0.027 -0.000 -5.450) 5.450 6.716 ( -6.608 -0.000 -6.661) 9.382 6.792 ( -0.787 -0.000 -3.059) 3.159 7.275 ( 3.489 0.000 3.396) 4.869 7.563 ( -0.023 -0.000 -1.978) 1.978 7.956 ( -2.505 -0.000 2.613) 3.620 8.035 ( 5.712 0.000 -2.638) 6.291 8.301 ( 2.265 0.000 12.461) 12.666 8.459 ( -3.694 -0.000 3.455) 5.057 9.253 ( -1.582 -0.000 -0.366) 1.624 9.326 ( -5.691 -0.000 -5.138) 7.667 ======================= Grid point 207 (102/160) ======================= q-point: (-0.44 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -8.813 -3.564 8.137) 12.513 1.595 ( 5.346 0.986 11.613) 12.823 1.794 ( -3.130 -2.521 4.790) 6.252 1.821 ( 3.400 -3.314 1.279) 4.917 1.954 ( -2.004 -4.544 -0.997) 5.065 2.170 ( 3.955 1.867 -3.877) 5.844 2.196 ( 4.281 1.053 -3.697) 5.753 2.344 ( -2.539 3.818 -5.861) 7.441 2.714 ( -2.714 -0.355 -0.453) 2.774 2.765 ( -11.674 -4.440 4.856) 13.401 2.854 ( 4.050 4.321 1.315) 6.066 2.980 ( -4.039 2.194 1.508) 4.838 3.047 ( 0.651 -1.174 -2.380) 2.733 3.150 ( -1.957 -3.041 5.861) 6.887 3.587 ( 4.627 1.329 0.660) 4.859 3.672 ( 3.884 -0.458 -1.535) 4.201 3.826 ( 2.438 4.362 6.557) 8.244 4.048 ( 1.213 -3.330 8.028) 8.775 4.199 ( -1.681 4.342 -3.830) 6.029 4.298 ( 1.402 -3.244 -3.600) 5.045 4.341 ( 0.221 -2.722 0.516) 2.780 4.543 ( 1.901 -1.865 -4.268) 5.031 4.683 ( -0.289 1.904 -5.430) 5.762 4.911 ( -0.201 2.508 -9.701) 10.022 5.065 ( 2.266 -2.143 -0.968) 3.266 5.168 ( -0.049 0.810 -2.382) 2.516 5.912 ( -2.575 4.179 7.300) 8.797 6.086 ( 3.397 -3.451 4.487) 6.601 6.177 ( -0.330 -2.102 2.765) 3.489 6.206 ( -1.368 0.997 -3.618) 3.994 6.498 ( 0.042 3.635 -4.172) 5.533 6.548 ( -2.146 -0.328 -5.564) 5.972 6.658 ( -0.508 -2.868 1.032) 3.090 6.833 ( -2.796 -3.265 -2.526) 4.986 7.304 ( 2.005 -0.598 2.012) 2.903 7.533 ( -0.559 2.485 -2.327) 3.450 7.919 ( -1.695 2.120 1.096) 2.927 8.037 ( 5.046 4.093 -2.037) 6.809 8.314 ( 4.065 2.995 10.913) 12.024 8.440 ( -2.447 -0.215 3.535) 4.305 9.247 ( -1.170 -0.457 -0.552) 1.372 9.286 ( -4.780 -0.570 -4.596) 6.655 ======================= Grid point 208 (103/160) ======================= q-point: (-0.33 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -6.414 -7.027 7.063) 11.849 1.650 ( -0.550 -5.023 9.273) 10.560 1.752 ( -4.104 2.149 -0.531) 4.663 1.921 ( 2.496 -1.180 1.550) 3.166 2.048 ( 6.794 -2.682 1.616) 7.481 2.180 ( 7.331 4.766 0.202) 8.747 2.196 ( 1.070 -3.092 -3.477) 4.775 2.289 ( 1.481 -0.237 -4.061) 4.329 2.736 ( 0.028 -2.352 -4.996) 5.522 2.786 ( -9.013 -5.922 3.426) 11.315 2.849 ( 1.398 -0.953 1.689) 2.391 2.894 ( -3.341 4.725 -0.763) 5.837 3.013 ( -3.894 0.782 -4.803) 6.232 3.136 ( -4.814 1.696 2.943) 5.892 3.622 ( 5.687 -0.161 1.107) 5.796 3.671 ( 5.336 3.848 -5.039) 8.287 3.778 ( 1.238 4.352 5.426) 7.065 4.081 ( 2.239 4.822 -2.095) 5.714 4.141 ( -3.637 -3.525 5.452) 7.442 4.368 ( 2.172 -2.261 -0.194) 3.141 4.418 ( 0.243 -6.359 -0.633) 6.395 4.555 ( -0.965 0.697 -6.032) 6.148 4.659 ( 1.045 0.027 0.683) 1.248 4.864 ( 0.357 1.422 -5.772) 5.955 5.116 ( -0.832 -0.483 -2.280) 2.475 5.140 ( 2.146 0.653 -0.012) 2.243 5.822 ( -4.960 3.193 7.056) 9.197 6.158 ( 2.782 1.905 0.140) 3.374 6.177 ( -2.128 -2.708 4.283) 5.496 6.227 ( 2.607 -2.065 -0.154) 3.329 6.416 ( -3.162 2.157 -4.406) 5.836 6.531 ( -1.053 0.098 -3.150) 3.322 6.778 ( 0.966 -7.679 2.656) 8.182 6.834 ( -1.463 0.471 0.035) 1.537 7.310 ( -1.462 1.160 -0.294) 1.889 7.488 ( 0.574 1.571 -1.613) 2.323 7.874 ( 0.446 2.805 -1.007) 3.013 7.975 ( 3.650 5.422 -2.732) 7.084 8.275 ( 1.676 4.530 7.636) 9.035 8.436 ( 0.673 0.637 2.256) 2.439 9.248 ( -1.276 -0.757 -1.072) 1.830 9.267 ( -2.446 -0.784 -2.912) 3.883 ======================= Grid point 209 (104/160) ======================= q-point: (-0.22 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -4.442 -6.854 4.503) 9.327 1.665 ( -5.169 2.518 -3.121) 6.542 1.793 ( 2.074 -8.310 9.162) 12.542 1.896 ( 1.103 3.864 -0.747) 4.087 2.085 ( 8.045 7.371 4.616) 11.847 2.185 ( 0.117 3.371 -5.977) 6.863 2.210 ( 3.923 -4.509 -1.585) 6.183 2.420 ( 7.534 -8.561 -2.835) 11.752 2.653 ( -4.896 7.130 -4.959) 9.970 2.841 ( -5.694 -6.014 1.386) 8.397 2.855 ( 0.227 -3.760 -5.575) 6.729 2.928 ( 1.049 -3.961 3.470) 5.370 2.992 ( -4.594 -2.270 -3.863) 6.417 3.071 ( -3.808 1.276 3.316) 5.208 3.608 ( 3.862 6.723 -6.824) 10.328 3.645 ( 4.509 2.502 -2.485) 5.724 3.690 ( -0.838 5.955 4.039) 7.244 3.994 ( -1.413 3.755 -2.835) 4.912 4.206 ( -0.578 -3.885 6.386) 7.497 4.407 ( 0.889 -0.586 0.539) 1.194 4.492 ( -1.270 -1.486 -1.074) 2.231 4.563 ( 1.837 -3.077 -2.527) 4.385 4.675 ( 1.250 0.123 1.278) 1.791 4.862 ( 2.008 -0.445 -2.459) 3.205 5.052 ( -5.292 2.200 -1.237) 5.863 5.199 ( 4.622 -2.158 2.745) 5.792 5.752 ( -5.388 1.093 7.658) 9.427 6.127 ( 2.730 2.590 -0.320) 3.777 6.204 ( -1.367 -0.648 3.426) 3.745 6.288 ( 1.092 -2.617 2.488) 3.772 6.389 ( -0.745 -1.040 -3.299) 3.538 6.519 ( -1.021 0.235 -1.912) 2.181 6.773 ( -2.551 2.610 1.458) 3.930 6.942 ( 2.049 -6.554 -0.670) 6.899 7.255 ( -3.018 1.244 -1.015) 3.418 7.480 ( 0.656 0.447 0.313) 0.853 7.773 ( 1.508 9.580 2.145) 9.933 7.955 ( 2.387 -0.888 -6.578) 7.054 8.214 ( -0.203 3.555 4.662) 5.866 8.427 ( 1.734 1.199 -1.352) 2.504 9.253 ( -1.439 -1.263 -1.788) 2.619 9.270 ( 0.192 -0.575 -0.849) 1.044 ======================= Grid point 210 (105/160) ======================= q-point: (-0.11 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -0.512 4.637 2.667) 5.373 1.617 ( -6.956 -1.127 -5.987) 9.247 1.806 ( 1.296 6.816 1.992) 7.218 1.911 ( -3.434 -1.181 -0.545) 3.672 2.047 ( 6.550 0.181 5.998) 8.883 2.119 ( 4.923 1.654 -5.758) 7.754 2.315 ( 0.999 -4.214 0.496) 4.359 2.554 ( -1.952 0.749 -4.476) 4.940 2.627 ( 6.148 -8.438 -4.462) 11.353 2.874 ( -1.003 0.054 2.422) 2.622 2.935 ( -1.646 -6.205 -0.299) 6.427 2.953 ( -4.161 -0.459 1.604) 4.483 3.036 ( -1.556 -5.116 -3.348) 6.309 3.081 ( 0.886 -3.062 1.748) 3.636 3.492 ( 0.958 7.020 -6.465) 9.592 3.583 ( -1.030 5.079 1.951) 5.538 3.598 ( 2.565 4.899 -6.090) 8.226 3.935 ( -0.664 1.799 -3.043) 3.597 4.270 ( -0.130 -2.661 5.676) 6.271 4.416 ( 1.079 -0.061 1.226) 1.634 4.499 ( -2.199 -0.497 2.908) 3.679 4.614 ( 1.574 -0.513 -1.932) 2.544 4.669 ( 1.706 1.373 0.500) 2.246 4.880 ( 1.185 0.270 -2.014) 2.352 4.987 ( -5.167 0.255 0.240) 5.179 5.278 ( 3.442 -2.578 4.943) 6.552 5.727 ( -3.486 -1.223 8.239) 9.029 6.112 ( 4.116 2.137 0.534) 4.668 6.197 ( -1.222 0.612 3.091) 3.379 6.326 ( -2.211 -1.469 3.628) 4.495 6.419 ( 1.915 -2.180 -2.752) 4.000 6.504 ( -1.274 0.237 -2.323) 2.660 6.713 ( -2.066 1.972 1.212) 3.102 6.999 ( -0.282 -0.016 -6.655) 6.661 7.281 ( -0.149 -5.208 1.450) 5.408 7.464 ( 0.285 2.954 -0.968) 3.122 7.619 ( 0.204 6.925 6.580) 9.554 7.984 ( 1.926 -0.720 -6.143) 6.478 8.159 ( -1.191 2.656 1.994) 3.528 8.430 ( 1.471 -0.802 -4.141) 4.467 9.270 ( -0.908 -1.838 -1.942) 2.824 9.285 ( 1.071 -0.677 -0.029) 1.267 ======================= Grid point 216 (106/160) ======================= q-point: (-0.44 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -10.150 -0.000 11.072) 15.020 1.553 ( -16.549 -0.000 5.806) 17.538 1.800 ( 4.175 0.000 7.056) 8.199 1.862 ( 12.558 0.000 2.153) 12.741 1.901 ( 3.226 0.000 0.608) 3.283 2.201 ( 3.591 0.000 -7.448) 8.268 2.242 ( 5.311 0.000 -3.088) 6.144 2.366 ( -1.228 -0.000 -5.776) 5.905 2.606 ( -15.535 -0.000 14.897) 21.524 2.704 ( -1.389 -0.000 -2.615) 2.961 2.950 ( -5.343 -0.000 -2.377) 5.848 2.992 ( 3.680 0.000 1.801) 4.097 3.048 ( 6.179 0.000 1.463) 6.350 3.096 ( -2.351 -0.000 6.995) 7.379 3.634 ( 2.274 0.000 -2.629) 3.476 3.681 ( 4.279 0.000 2.203) 4.813 3.900 ( 1.860 0.000 5.232) 5.552 4.017 ( 0.711 0.000 8.936) 8.964 4.254 ( -0.546 -0.000 -4.260) 4.295 4.268 ( 1.086 0.000 -4.386) 4.518 4.311 ( 1.461 0.000 1.339) 1.982 4.529 ( 0.573 0.000 -5.296) 5.327 4.689 ( -1.158 -0.000 -6.494) 6.596 4.924 ( -0.881 -0.000 -15.649) 15.674 5.051 ( 2.314 0.000 1.715) 2.880 5.183 ( 1.158 0.000 -2.051) 2.355 5.986 ( 0.373 0.000 10.415) 10.421 6.013 ( -4.922 -0.000 2.223) 5.401 6.185 ( 4.911 0.000 2.842) 5.674 6.194 ( -2.572 -0.000 -2.668) 3.706 6.519 ( -4.095 -0.000 -8.201) 9.166 6.542 ( 1.227 0.000 -5.053) 5.200 6.630 ( -0.776 -0.000 1.652) 1.825 6.758 ( -2.473 -0.000 -3.591) 4.360 7.317 ( 1.043 0.000 3.144) 3.312 7.539 ( -2.528 -0.000 -2.505) 3.559 7.922 ( -2.416 -0.000 1.720) 2.965 8.118 ( 5.860 0.000 -2.797) 6.493 8.404 ( 7.762 0.000 12.547) 14.753 8.418 ( -2.511 -0.000 3.855) 4.601 9.235 ( -0.594 -0.000 -0.388) 0.710 9.238 ( -4.804 -0.000 -3.963) 6.228 ======================= Grid point 217 (107/160) ======================= q-point: (-0.33 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -9.190 -5.120 11.698) 15.732 1.464 ( -17.954 -5.149 4.344) 19.176 1.815 ( 4.184 1.800 6.573) 7.997 1.937 ( 5.513 -1.482 1.392) 5.876 2.025 ( 10.880 -4.099 0.656) 11.645 2.212 ( 2.195 1.726 -4.395) 5.207 2.260 ( 5.053 -0.107 -3.214) 5.990 2.340 ( 3.282 2.676 -2.015) 4.689 2.569 ( -15.277 -6.782 13.954) 21.774 2.721 ( 3.387 -1.421 -2.566) 4.480 2.890 ( -4.142 1.798 -0.107) 4.516 2.934 ( 2.971 5.356 1.766) 6.374 3.041 ( -1.532 2.951 0.424) 3.352 3.137 ( -1.006 -0.107 -0.267) 1.046 3.643 ( 1.645 -0.511 -1.354) 2.191 3.730 ( 4.518 -0.701 -1.104) 4.703 3.870 ( 1.656 4.210 3.995) 6.035 4.070 ( -0.977 -3.291 5.375) 6.378 4.187 ( 1.793 5.434 -1.792) 5.996 4.315 ( 1.254 -4.680 -2.356) 5.387 4.349 ( 1.146 -1.697 0.540) 2.118 4.538 ( -0.559 -1.192 -6.504) 6.636 4.665 ( -0.773 0.476 -3.019) 3.152 4.876 ( -1.430 1.601 -12.441) 12.625 5.102 ( 3.390 -1.996 -0.146) 3.937 5.170 ( 0.122 1.610 -1.471) 2.184 5.877 ( -4.345 5.699 6.942) 9.978 6.090 ( -2.399 -5.304 6.571) 8.779 6.174 ( -2.404 -0.275 -2.515) 3.490 6.236 ( 5.259 -0.733 2.041) 5.689 6.421 ( -6.298 3.361 -7.217) 10.151 6.541 ( 1.516 0.764 -4.140) 4.474 6.684 ( 2.669 -4.549 2.850) 5.995 6.783 ( -3.031 -3.597 -2.887) 5.519 7.317 ( -0.929 0.616 1.865) 2.173 7.502 ( -2.742 1.091 -2.675) 3.983 7.895 ( -1.426 1.129 -0.075) 1.821 8.111 ( 4.882 4.826 -2.963) 7.476 8.373 ( 0.224 3.785 5.978) 7.079 8.475 ( 6.735 0.865 8.207) 10.652 9.213 ( -3.282 -1.124 -2.239) 4.129 9.239 ( -0.124 -0.677 -0.245) 0.731 ======================= Grid point 218 (108/160) ======================= q-point: (-0.22 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -8.371 -8.589 7.683) 14.244 1.487 ( -13.536 -9.660 4.168) 17.144 1.820 ( 4.665 1.945 8.532) 9.917 1.967 ( 2.897 2.471 -0.242) 3.815 2.160 ( 6.966 -3.511 -0.997) 7.864 2.206 ( 3.697 0.585 -5.375) 6.550 2.304 ( 7.763 3.492 2.915) 8.997 2.345 ( 5.088 -2.972 -2.620) 6.448 2.621 ( -12.830 -8.995 10.579) 18.906 2.749 ( 1.254 3.681 -2.697) 4.733 2.845 ( -1.156 -0.181 -2.661) 2.907 2.900 ( 3.306 1.064 -0.213) 3.479 2.956 ( -1.829 2.378 -2.197) 3.719 3.083 ( -2.952 2.433 0.758) 3.900 3.654 ( -1.571 0.359 -3.201) 3.584 3.749 ( 4.208 2.675 -1.091) 5.104 3.795 ( 1.574 5.438 -0.473) 5.681 4.037 ( -5.011 3.900 -3.167) 7.096 4.174 ( 3.915 -0.945 5.541) 6.850 4.383 ( -0.742 -2.378 0.852) 2.633 4.426 ( 1.284 -5.149 -2.105) 5.709 4.542 ( 1.316 -0.745 -5.299) 5.510 4.677 ( 1.574 -1.224 0.904) 2.189 4.846 ( -0.886 -0.693 -7.419) 7.504 5.084 ( -1.848 4.034 -1.880) 4.819 5.195 ( 4.052 -2.254 1.686) 4.934 5.764 ( -4.982 3.667 7.748) 9.915 6.149 ( -1.950 -2.289 4.116) 5.098 6.167 ( -2.416 -1.287 -0.860) 2.869 6.272 ( 1.842 0.172 1.826) 2.600 6.359 ( -0.838 -0.888 -4.002) 4.184 6.529 ( 0.745 1.123 -3.069) 3.352 6.775 ( -1.738 -0.900 1.536) 2.488 6.832 ( 1.102 -6.488 0.422) 6.595 7.272 ( -3.160 2.768 -0.828) 4.282 7.477 ( -1.689 -0.406 -1.363) 2.208 7.870 ( -0.274 1.205 -2.028) 2.375 8.031 ( 3.772 6.837 -3.925) 8.739 8.303 ( 0.872 5.105 5.973) 7.905 8.486 ( 4.627 3.110 2.901) 6.285 9.219 ( -1.225 -1.346 -0.867) 2.016 9.257 ( 0.736 -1.079 0.288) 1.338 ======================= Grid point 219 (109/160) ======================= q-point: (-0.11 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -7.736 -9.346 1.604) 12.238 1.543 ( -7.566 -3.718 2.387) 8.762 1.869 ( 3.997 -2.819 8.545) 9.846 1.903 ( 0.577 5.111 -3.208) 6.062 2.175 ( 3.783 7.328 -0.375) 8.256 2.245 ( 6.481 4.199 2.404) 8.088 2.278 ( 5.162 -1.386 -2.945) 6.102 2.472 ( -0.993 -6.170 -5.769) 8.505 2.628 ( 4.362 3.873 -5.272) 7.863 2.719 ( -9.359 -9.316 8.675) 15.800 2.869 ( -0.845 -1.840 -3.616) 4.144 2.917 ( 1.631 -2.258 -3.501) 4.474 2.980 ( 1.439 -1.972 4.210) 4.866 3.060 ( 1.478 -0.921 1.447) 2.265 3.573 ( -4.803 5.046 -4.293) 8.184 3.665 ( -2.944 5.379 0.433) 6.147 3.741 ( 6.962 6.129 -7.057) 11.654 3.937 ( -5.116 1.808 -2.666) 6.046 4.232 ( 1.766 -2.188 5.241) 5.947 4.411 ( -0.522 -1.219 0.828) 1.564 4.474 ( -0.905 -1.229 -0.269) 1.550 4.602 ( 3.545 -2.844 -2.564) 5.218 4.703 ( 2.258 0.346 0.225) 2.296 4.874 ( 0.902 -2.274 -2.596) 3.568 4.986 ( -3.086 3.916 -1.281) 5.148 5.266 ( 3.254 -2.023 4.253) 5.724 5.703 ( -3.285 0.431 8.375) 9.006 6.158 ( -2.212 0.094 2.539) 3.368 6.170 ( -1.604 -1.403 -0.445) 2.177 6.291 ( 0.177 -1.099 4.158) 4.304 6.395 ( 2.021 -2.104 -2.734) 3.999 6.507 ( -0.303 1.158 -2.727) 2.978 6.735 ( -2.778 2.297 1.183) 3.794 6.963 ( 1.368 -5.021 -2.222) 5.658 7.211 ( -2.314 -0.324 -0.318) 2.358 7.471 ( -1.968 -0.129 0.050) 1.973 7.791 ( 0.167 8.503 2.024) 8.742 7.980 ( 2.426 0.320 -7.583) 7.968 8.229 ( 1.297 4.716 4.699) 6.783 8.456 ( 2.335 2.727 -2.152) 4.186 9.234 ( -0.411 -1.238 -1.234) 1.796 9.284 ( 1.598 -0.760 0.968) 2.017 ======================= Grid point 226 (110/160) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -9.688 -0.000 15.515) 18.291 1.273 ( -19.882 -0.000 5.619) 20.661 1.874 ( 4.106 0.000 5.492) 6.857 1.938 ( 3.515 0.000 2.017) 4.052 2.104 ( 13.370 0.000 3.244) 13.758 2.230 ( 2.386 0.000 -6.418) 6.847 2.318 ( 2.984 0.000 5.647) 6.387 2.361 ( 2.736 0.000 -6.109) 6.694 2.407 ( -12.633 -0.000 15.272) 19.820 2.732 ( 4.249 0.000 -0.172) 4.252 2.872 ( -4.264 -0.000 -1.958) 4.692 3.041 ( 1.381 0.000 3.010) 3.311 3.074 ( -1.533 -0.000 5.930) 6.125 3.110 ( 2.590 0.000 -4.100) 4.850 3.633 ( -1.463 -0.000 -3.952) 4.214 3.748 ( 3.618 0.000 1.269) 3.834 3.937 ( 1.532 0.000 1.841) 2.395 4.021 ( -2.467 -0.000 2.724) 3.675 4.262 ( 2.558 0.000 -0.691) 2.650 4.279 ( 1.030 0.000 -2.755) 2.942 4.348 ( 3.504 0.000 0.222) 3.511 4.512 ( -0.470 -0.000 -6.795) 6.811 4.650 ( -2.286 -0.000 -4.334) 4.900 4.868 ( -1.616 -0.000 -15.047) 15.134 5.114 ( 5.398 0.000 1.405) 5.578 5.182 ( -0.964 -0.000 -1.658) 1.917 5.921 ( -7.974 -0.000 4.059) 8.948 6.012 ( 0.295 0.000 10.624) 10.628 6.137 ( -4.969 -0.000 -2.305) 5.478 6.269 ( 5.096 0.000 0.793) 5.157 6.402 ( -6.666 -0.000 -6.948) 9.629 6.559 ( 2.066 0.000 -3.768) 4.297 6.668 ( 3.203 0.000 1.501) 3.537 6.715 ( -1.936 -0.000 -3.739) 4.210 7.315 ( -2.060 -0.000 3.143) 3.758 7.482 ( -4.128 -0.000 -2.830) 5.005 7.894 ( -1.521 -0.000 0.219) 1.537 8.180 ( 2.760 0.000 -4.197) 5.023 8.409 ( 0.442 0.000 4.655) 4.676 8.571 ( 10.876 0.000 9.390) 14.369 9.179 ( -1.745 -0.000 0.219) 1.759 9.236 ( 0.614 0.000 0.505) 0.795 ======================= Grid point 227 (111/160) ======================= q-point: (-0.22 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -11.497 -4.863 12.188) 17.446 1.226 ( -13.190 -8.574 10.861) 19.117 1.884 ( 2.792 1.576 7.397) 8.062 1.996 ( 1.982 -1.927 1.333) 3.069 2.182 ( 6.509 -0.316 4.730) 8.052 2.239 ( 3.472 0.249 -4.829) 5.953 2.332 ( 3.351 -1.049 2.876) 4.539 2.374 ( -4.251 -1.947 10.284) 11.297 2.435 ( 3.306 -3.230 -0.274) 4.630 2.788 ( 3.641 -2.172 0.763) 4.308 2.818 ( -4.027 1.934 -1.766) 4.804 3.001 ( 4.098 5.605 2.857) 7.508 3.017 ( -0.477 3.185 1.009) 3.375 3.112 ( -1.656 2.721 -3.853) 4.999 3.619 ( -3.584 -0.921 -3.944) 5.408 3.783 ( 0.905 -0.487 1.135) 1.531 3.887 ( 1.292 3.916 -2.992) 5.095 4.035 ( -3.714 -0.750 -2.324) 4.445 4.241 ( 3.993 3.702 1.590) 5.672 4.312 ( -1.119 -3.343 0.133) 3.528 4.380 ( 2.279 -1.488 -2.331) 3.583 4.520 ( 0.605 -1.604 -6.617) 6.835 4.658 ( 0.577 -2.306 -1.098) 2.619 4.832 ( -0.058 0.982 -10.944) 10.988 5.138 ( -0.927 2.987 -1.782) 3.600 5.187 ( 4.787 -2.293 1.192) 5.440 5.808 ( -6.894 4.609 6.852) 10.757 6.074 ( -1.566 -4.093 8.261) 9.352 6.104 ( -6.676 -1.449 -2.339) 7.221 6.305 ( 3.047 0.446 0.175) 3.085 6.343 ( -1.259 0.204 -4.002) 4.200 6.556 ( 1.355 1.360 -3.302) 3.820 6.734 ( 2.121 -3.322 0.417) 3.963 6.737 ( -1.263 -4.189 -1.931) 4.783 7.287 ( -3.142 1.378 1.778) 3.864 7.447 ( -3.671 -0.138 -2.498) 4.443 7.877 ( -0.792 0.674 -1.332) 1.690 8.149 ( 0.870 4.219 -4.718) 6.389 8.395 ( 2.013 3.222 5.121) 6.376 8.612 ( 7.884 4.561 4.546) 10.179 9.194 ( 1.662 -1.147 2.850) 3.493 9.250 ( 1.517 -0.738 1.293) 2.125 ======================= Grid point 228 (112/160) ======================= q-point: (-0.11 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -11.244 -9.813 5.646) 15.956 1.348 ( -7.655 -10.733 12.602) 18.237 1.896 ( 3.565 0.384 7.948) 8.720 1.992 ( 0.187 3.302 -0.555) 3.353 2.250 ( 6.327 -0.757 -0.432) 6.387 2.269 ( 2.908 -2.066 -0.813) 3.658 2.386 ( 0.717 0.243 -3.621) 3.699 2.407 ( 3.215 0.070 7.117) 7.810 2.506 ( -1.899 -6.049 7.480) 9.806 2.728 ( -1.980 4.592 -2.567) 5.621 2.854 ( -0.103 -2.631 -0.421) 2.667 2.929 ( 3.957 5.636 -8.778) 11.157 2.990 ( 4.195 0.557 5.588) 7.009 3.063 ( 1.090 -0.166 1.569) 1.918 3.580 ( -6.798 1.241 -4.619) 8.312 3.721 ( -5.280 4.239 0.289) 6.777 3.865 ( 5.992 3.038 -7.576) 10.126 3.945 ( -6.376 4.579 -4.491) 9.044 4.236 ( 2.455 0.146 3.271) 4.092 4.358 ( -2.510 -3.395 1.014) 4.342 4.439 ( 1.102 -2.847 -2.166) 3.743 4.569 ( 2.916 -3.130 -3.739) 5.682 4.706 ( 1.100 -1.584 -1.596) 2.503 4.840 ( 3.270 -1.723 -3.904) 5.375 5.052 ( -1.336 4.882 -2.178) 5.510 5.265 ( 4.076 -1.759 2.642) 5.166 5.707 ( -4.692 2.153 8.164) 9.659 6.082 ( -7.418 -2.325 -1.124) 7.855 6.128 ( -2.606 -2.808 6.279) 7.355 6.312 ( 3.711 0.282 0.672) 3.782 6.372 ( 1.954 -1.747 -2.256) 3.459 6.529 ( 0.071 1.781 -3.329) 3.776 6.743 ( -2.832 0.243 0.028) 2.843 6.859 ( 2.251 -6.856 0.580) 7.239 7.227 ( -2.177 2.861 -0.665) 3.656 7.435 ( -3.386 -1.401 -1.357) 3.908 7.860 ( -0.414 0.967 -2.460) 2.675 8.052 ( 0.293 5.910 -5.417) 8.022 8.340 ( 2.429 5.354 5.487) 8.042 8.556 ( 3.595 5.981 -0.030) 6.978 9.223 ( 1.589 -0.303 1.418) 2.151 9.288 ( 3.364 -0.876 2.615) 4.350 ======================= Grid point 236 (113/160) ======================= q-point: (-0.22 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -13.590 -0.000 12.953) 18.774 1.056 ( -6.982 -0.000 20.140) 21.316 1.944 ( 3.876 0.000 4.294) 5.785 1.945 ( -7.405 -0.000 12.348) 14.399 2.179 ( -4.090 -0.000 14.623) 15.184 2.266 ( 4.588 0.000 -3.669) 5.874 2.324 ( 4.585 0.000 3.818) 5.966 2.423 ( 6.653 0.000 -5.540) 8.658 2.450 ( 8.119 0.000 4.196) 9.140 2.765 ( -2.519 -0.000 3.325) 4.172 2.823 ( -1.295 -0.000 -3.543) 3.773 3.042 ( 0.609 0.000 3.339) 3.394 3.102 ( 2.390 0.000 3.623) 4.340 3.120 ( 0.642 0.000 -5.363) 5.401 3.580 ( -4.007 -0.000 -5.739) 7.000 3.776 ( -0.816 -0.000 1.535) 1.739 3.940 ( -0.541 -0.000 -5.063) 5.092 3.963 ( -4.538 -0.000 -2.746) 5.304 4.282 ( -0.024 -0.000 -2.053) 2.053 4.300 ( 1.676 0.000 -1.191) 2.057 4.395 ( 1.724 0.000 -3.723) 4.103 4.502 ( 1.128 0.000 -8.924) 8.995 4.618 ( -0.749 -0.000 0.681) 1.012 4.848 ( 3.466 0.000 -8.390) 9.077 5.155 ( -1.367 -0.000 -2.088) 2.495 5.208 ( 6.381 0.000 1.354) 6.524 5.797 ( -9.745 -0.000 5.624) 11.251 6.030 ( -7.504 -0.000 -2.182) 7.815 6.041 ( -0.098 -0.000 10.561) 10.562 6.326 ( -2.357 -0.000 -1.976) 3.076 6.332 ( 3.583 0.000 -1.257) 3.797 6.578 ( 1.104 0.000 -2.555) 2.783 6.696 ( 0.456 0.000 -3.966) 3.992 6.706 ( 1.522 0.000 -0.832) 1.734 7.275 ( -3.967 -0.000 3.804) 5.496 7.418 ( -3.300 -0.000 -2.345) 4.048 7.877 ( -0.636 -0.000 -1.038) 1.217 8.175 ( -1.789 -0.000 -5.384) 5.674 8.450 ( 3.244 0.000 4.626) 5.650 8.713 ( 4.780 0.000 0.000) 4.780 9.233 ( 9.545 0.000 7.556) 12.173 9.255 ( 1.501 0.000 1.924) 2.440 ======================= Grid point 237 (114/160) ======================= q-point: (-0.11 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -9.254 -3.824 15.005) 18.039 1.134 ( -5.425 -9.059 19.473) 22.151 1.905 ( -5.294 -2.330 15.744) 16.773 1.990 ( -1.056 -1.065 4.224) 4.482 2.209 ( -0.931 -3.269 8.368) 9.032 2.298 ( 6.732 0.408 -1.266) 6.862 2.372 ( 2.360 -2.010 4.443) 5.418 2.427 ( 4.549 3.075 -1.724) 5.755 2.532 ( 7.290 -0.473 -0.322) 7.312 2.775 ( -4.119 -3.426 4.298) 6.868 2.786 ( 0.106 2.625 -3.681) 4.522 3.051 ( 4.642 2.081 0.005) 5.087 3.077 ( 0.122 2.292 -0.946) 2.483 3.081 ( 3.221 4.616 0.499) 5.650 3.535 ( -5.708 0.566 -6.162) 8.418 3.734 ( -6.790 2.570 0.896) 7.315 3.918 ( 3.676 -0.021 -8.187) 8.975 3.951 ( -6.236 0.775 -6.506) 9.045 4.271 ( -1.473 2.147 0.057) 2.604 4.292 ( -0.580 -0.985 -0.883) 1.445 4.391 ( 0.201 -2.377 -3.528) 4.259 4.533 ( 2.218 -2.650 -6.554) 7.409 4.661 ( 0.058 -3.039 -1.088) 3.229 4.869 ( 5.971 0.646 -2.969) 6.700 5.120 ( 1.247 3.197 -2.722) 4.380 5.269 ( 4.256 -1.499 1.325) 4.702 5.710 ( -7.156 1.932 7.260) 10.376 5.986 ( -7.303 -1.738 -1.423) 7.641 6.074 ( -1.304 -2.068 9.464) 9.775 6.323 ( 1.012 -1.053 0.119) 1.465 6.364 ( 2.786 -0.851 -1.965) 3.514 6.565 ( 0.713 2.044 -2.990) 3.692 6.694 ( -2.780 -1.790 -2.640) 4.232 6.782 ( 2.926 -4.980 -1.112) 5.882 7.244 ( -2.909 0.738 2.509) 3.912 7.393 ( -2.605 -0.005 -1.776) 3.153 7.867 ( -0.115 0.603 -2.036) 2.127 8.121 ( -2.759 3.314 -5.690) 7.139 8.447 ( 3.079 3.560 4.699) 6.651 8.682 ( 0.748 4.963 -1.748) 5.315 9.256 ( 2.738 1.196 2.934) 4.187 9.329 ( 10.392 0.473 5.776) 11.899 ======================= Grid point 246 (115/160) ======================= q-point: (-0.11 -0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -3.200 -0.000 21.125) 21.366 1.033 ( -1.892 -0.000 23.691) 23.766 1.794 ( -14.947 -0.000 28.765) 32.417 2.009 ( 3.981 0.000 2.601) 4.755 2.197 ( 2.544 0.000 1.801) 3.117 2.357 ( 8.119 0.000 -1.151) 8.201 2.367 ( -0.557 -0.000 5.794) 5.820 2.502 ( 2.019 0.000 -4.380) 4.823 2.586 ( 7.913 0.000 4.816) 9.263 2.677 ( -6.782 -0.000 6.855) 9.643 2.832 ( 4.104 0.000 -5.750) 7.064 3.080 ( 2.726 0.000 2.691) 3.830 3.120 ( 0.899 0.000 -2.960) 3.094 3.136 ( 0.212 0.000 1.919) 1.931 3.510 ( -2.453 -0.000 -7.583) 7.969 3.709 ( -8.534 -0.000 1.329) 8.637 3.889 ( -4.128 -0.000 -6.058) 7.331 3.923 ( 0.844 0.000 -9.513) 9.550 4.258 ( -2.870 -0.000 -3.002) 4.153 4.302 ( -0.218 -0.000 -2.716) 2.725 4.370 ( -2.636 -0.000 -5.365) 5.978 4.488 ( -0.303 -0.000 -10.294) 10.299 4.650 ( 3.836 0.000 4.605) 5.993 4.911 ( 3.239 0.000 -1.391) 3.525 5.174 ( 6.006 0.000 -3.816) 7.116 5.277 ( 0.910 0.000 0.658) 1.123 5.681 ( -5.930 -0.000 6.995) 9.171 5.925 ( -4.282 -0.000 -0.529) 4.314 6.060 ( -1.014 -0.000 10.348) 10.398 6.314 ( 0.527 0.000 1.498) 1.588 6.376 ( 2.896 0.000 -1.969) 3.502 6.580 ( -0.070 -0.000 -2.499) 2.500 6.701 ( 0.875 0.000 -4.531) 4.615 6.707 ( -0.623 -0.000 -2.994) 3.058 7.226 ( -3.580 -0.000 5.126) 6.252 7.387 ( -0.122 -0.000 -1.117) 1.123 7.872 ( 0.386 0.000 -1.534) 1.582 8.118 ( -4.038 -0.000 -6.034) 7.261 8.509 ( 3.065 0.000 4.022) 5.056 8.709 ( -3.694 -0.000 -2.562) 4.496 9.284 ( 1.559 0.000 3.198) 3.558 9.461 ( 16.254 0.000 3.129) 16.553 ======================= Grid point 247 (116/160) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -0.188 -0.000 21.997) 21.998 1.563 ( 3.107 0.000 19.282) 19.531 1.901 ( 0.929 0.000 -15.259) 15.287 1.943 ( -0.973 -0.000 -11.215) 11.257 2.253 ( -6.964 -0.000 9.518) 11.794 2.382 ( 1.233 0.000 -3.266) 3.491 2.540 ( -0.436 -0.000 7.928) 7.940 2.629 ( -2.384 -0.000 15.715) 15.895 2.719 ( 0.687 0.000 0.903) 1.135 2.747 ( -2.369 -0.000 0.965) 2.558 2.790 ( 8.474 0.000 -2.944) 8.971 3.026 ( -4.160 -0.000 -8.106) 9.111 3.203 ( 6.786 0.000 2.055) 7.091 3.205 ( -1.017 -0.000 1.328) 1.673 3.433 ( 9.257 0.000 1.401) 9.362 3.516 ( -9.084 -0.000 -3.891) 9.882 3.663 ( -6.490 -0.000 -3.658) 7.450 3.721 ( 2.729 0.000 -8.321) 8.757 4.192 ( -3.164 -0.000 2.355) 3.945 4.249 ( 1.237 0.000 -1.788) 2.174 4.266 ( -1.477 -0.000 -1.790) 2.321 4.303 ( 2.327 0.000 -6.313) 6.728 4.810 ( 3.663 0.000 3.790) 5.271 4.876 ( -2.753 -0.000 -2.491) 3.713 5.215 ( -9.107 -0.000 0.480) 9.119 5.225 ( 7.075 0.000 -0.789) 7.119 5.804 ( 0.904 0.000 5.093) 5.172 5.892 ( 2.831 0.000 -3.440) 4.455 6.217 ( -5.087 -0.000 7.905) 9.401 6.354 ( 4.388 0.000 -4.854) 6.544 6.425 ( 3.558 0.000 4.566) 5.789 6.501 ( -4.664 -0.000 -2.672) 5.375 6.612 ( 2.355 0.000 -2.875) 3.716 6.619 ( -0.508 -0.000 -2.953) 2.997 7.308 ( -2.806 -0.000 4.984) 5.720 7.385 ( 3.339 0.000 -2.387) 4.104 7.880 ( 2.793 0.000 0.942) 2.947 7.930 ( -3.998 -0.000 -4.013) 5.665 8.608 ( 1.606 0.000 1.945) 2.523 8.631 ( -3.143 -0.000 -0.258) 3.153 9.401 ( 0.002 0.000 5.192) 5.192 9.519 ( 2.136 0.000 -6.078) 6.442 ======================= Grid point 248 (117/160) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.085 -1.557 19.927) 19.988 1.558 ( 0.402 4.584 18.899) 19.451 1.839 ( -1.907 4.042 -13.739) 14.448 1.953 ( 0.629 -2.533 -14.016) 14.257 2.246 ( -5.659 -2.747 6.483) 9.033 2.321 ( -8.698 4.295 5.338) 11.072 2.536 ( 5.553 1.928 1.228) 6.005 2.629 ( -3.388 2.244 -2.767) 4.916 2.653 ( -0.528 2.058 10.313) 10.529 2.755 ( -4.479 -1.078 4.190) 6.227 2.849 ( 9.160 -0.124 -2.648) 9.536 3.006 ( 0.110 -0.919 -7.728) 7.783 3.206 ( -1.165 0.080 4.871) 5.009 3.292 ( 2.123 -4.597 0.732) 5.116 3.431 ( -2.135 2.970 -3.705) 5.207 3.477 ( 9.105 3.549 2.259) 10.030 3.586 ( -4.762 2.887 -3.430) 6.540 3.703 ( 3.044 2.523 -7.170) 8.188 4.217 ( -0.619 -3.101 1.473) 3.488 4.259 ( 1.370 -0.926 0.387) 1.698 4.312 ( -1.158 -6.392 -1.735) 6.724 4.383 ( 1.251 -6.520 -4.834) 8.212 4.802 ( -1.336 2.944 2.277) 3.955 4.852 ( 0.259 0.492 -1.877) 1.958 5.140 ( -10.166 0.203 0.992) 10.216 5.272 ( 3.648 -1.049 0.085) 3.796 5.843 ( 3.104 -2.060 3.774) 5.303 5.921 ( 4.941 -0.123 -4.333) 6.573 6.196 ( -4.852 -0.871 7.641) 9.093 6.383 ( 2.934 -0.565 -3.455) 4.567 6.418 ( -1.081 1.765 0.352) 2.100 6.470 ( 1.495 1.766 -2.472) 3.386 6.613 ( -1.960 -4.030 2.496) 5.129 6.737 ( 3.717 -7.015 -5.319) 9.556 7.277 ( -2.405 1.506 4.024) 4.924 7.381 ( 3.313 2.920 -2.505) 5.077 7.870 ( -1.198 2.813 -0.731) 3.144 7.897 ( 1.624 1.227 -1.250) 2.389 8.557 ( -3.416 4.593 2.671) 6.317 8.608 ( 0.233 1.975 -0.059) 1.990 9.386 ( -1.108 1.574 4.082) 4.513 9.487 ( -0.573 3.216 -5.854) 6.704 ======================= Grid point 249 (118/160) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -0.564 4.981 17.622) 18.321 1.525 ( -0.869 0.126 9.282) 9.324 1.755 ( 0.580 2.330 -5.275) 5.796 2.005 ( 1.285 -4.162 -12.580) 13.313 2.138 ( -8.760 7.281 7.587) 13.686 2.250 ( -3.728 1.528 1.060) 4.167 2.483 ( -4.920 5.198 -5.470) 9.008 2.562 ( 6.229 2.151 -0.859) 6.646 2.660 ( -5.891 -2.724 5.903) 8.774 2.772 ( -3.919 -4.363 0.053) 5.865 2.914 ( 5.835 -0.842 -0.511) 5.917 3.037 ( 4.280 -0.179 -6.288) 7.608 3.178 ( -3.743 0.922 5.138) 6.423 3.308 ( -3.606 0.908 -1.078) 3.872 3.395 ( 0.409 4.619 -2.069) 5.077 3.459 ( 5.994 3.825 -0.365) 7.120 3.534 ( 2.825 0.230 1.560) 3.236 3.706 ( 6.218 -0.022 -3.469) 7.120 4.278 ( 1.759 -3.084 0.753) 3.629 4.309 ( 2.275 -3.322 0.791) 4.103 4.439 ( -1.840 -8.297 -0.123) 8.499 4.487 ( -1.631 -5.067 -2.938) 6.080 4.725 ( -3.527 2.997 1.692) 4.928 4.845 ( 1.315 1.115 -1.620) 2.366 5.066 ( -8.415 0.313 0.802) 8.459 5.322 ( 1.928 -2.209 0.723) 3.020 5.902 ( 2.694 -0.638 0.935) 2.922 5.973 ( 5.299 -2.680 -1.544) 6.135 6.190 ( -3.675 -1.268 7.161) 8.149 6.377 ( -2.841 0.445 -2.474) 3.794 6.406 ( 0.637 0.054 -0.970) 1.161 6.448 ( 4.125 2.083 -3.142) 5.588 6.707 ( -1.433 -6.490 3.473) 7.499 6.852 ( 2.377 -2.671 -4.002) 5.367 7.255 ( -0.461 -0.959 1.353) 1.721 7.340 ( 2.775 3.523 -1.521) 4.735 7.800 ( -1.468 3.373 -0.061) 3.679 7.886 ( 2.887 1.948 -1.257) 3.703 8.425 ( -4.714 6.991 4.342) 9.484 8.554 ( 0.469 4.368 -1.401) 4.611 9.348 ( -1.330 1.896 2.112) 3.134 9.406 ( -1.668 3.974 -4.402) 6.160 ======================= Grid point 250 (119/160) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 1.935 2.179 14.617) 14.904 1.493 ( -2.353 0.931 -3.554) 4.363 1.755 ( 0.772 0.006 1.856) 2.010 1.983 ( -5.493 3.102 5.814) 8.579 2.089 ( 4.747 -3.119 -7.735) 9.597 2.132 ( -2.320 7.530 -0.943) 7.936 2.410 ( -5.325 -1.528 -1.906) 5.859 2.553 ( 3.614 3.881 0.136) 5.305 2.650 ( -7.689 -1.292 -0.803) 7.838 2.849 ( -3.505 -7.325 -4.868) 9.468 2.962 ( 4.733 -0.200 0.666) 4.784 3.016 ( 0.931 3.695 -3.217) 4.987 3.155 ( -3.997 -1.116 -4.775) 6.326 3.256 ( -0.487 3.683 0.156) 3.718 3.293 ( 0.606 5.222 5.814) 7.838 3.429 ( 3.345 2.814 -0.942) 4.471 3.576 ( 3.554 -0.698 2.267) 4.273 3.773 ( 6.251 -1.617 -2.377) 6.880 4.348 ( 2.036 -2.740 2.367) 4.154 4.394 ( 2.990 -3.247 -0.366) 4.429 4.517 ( -4.403 -2.310 -1.221) 5.119 4.548 ( -1.653 -4.521 0.527) 4.843 4.677 ( -1.420 0.135 3.058) 3.374 4.831 ( 0.530 0.906 -2.270) 2.501 5.009 ( -5.721 0.218 0.324) 5.734 5.373 ( 0.933 -1.934 1.293) 2.506 5.908 ( 1.607 1.294 0.650) 2.163 6.071 ( 4.326 -3.540 1.535) 5.797 6.206 ( -2.862 -2.530 5.868) 7.002 6.358 ( -1.318 -0.566 -4.691) 4.905 6.382 ( -1.594 1.570 0.591) 2.314 6.463 ( 3.926 0.013 -2.727) 4.780 6.779 ( -0.850 -1.150 2.715) 3.068 6.850 ( -0.250 1.845 -3.700) 4.142 7.313 ( 2.404 -3.637 0.368) 4.376 7.325 ( 1.890 -0.589 -0.089) 1.982 7.743 ( -0.780 2.137 2.115) 3.106 7.871 ( 1.728 1.403 -3.472) 4.125 8.275 ( -3.807 6.259 5.164) 8.963 8.467 ( 0.290 5.313 -3.017) 6.116 9.303 ( -1.844 2.368 -1.767) 3.483 9.335 ( -0.573 2.218 -0.775) 2.418 ======================= Grid point 251 (120/160) ======================= q-point: ( 0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -0.206 0.154 0.089) 0.272 1.502 ( 1.013 -3.107 2.949) 4.402 1.727 ( -2.504 1.350 -2.069) 3.517 1.984 ( -0.811 -0.859 4.766) 4.910 1.996 ( 0.432 2.481 -2.211) 3.351 2.190 ( 7.013 -3.411 0.781) 7.838 2.420 ( -1.909 -2.026 1.174) 3.021 2.457 ( -7.564 5.558 -1.175) 9.460 2.595 ( 1.136 3.311 -8.476) 9.170 2.928 ( -2.677 -3.234 -2.653) 4.966 2.959 ( -0.884 1.113 -0.820) 1.641 3.010 ( 2.706 -0.928 3.751) 4.718 3.104 ( -2.452 3.374 -0.366) 4.187 3.168 ( 0.056 4.964 -1.692) 5.245 3.286 ( 2.761 -2.169 0.004) 3.511 3.422 ( 0.919 -0.632 -1.692) 2.027 3.608 ( 1.257 -0.412 3.503) 3.744 3.826 ( 2.333 -0.784 -3.430) 4.221 4.385 ( -0.264 -0.038 2.508) 2.522 4.445 ( 2.118 -0.540 -0.397) 2.222 4.528 ( -2.339 -1.796 0.216) 2.957 4.583 ( -0.310 -1.165 0.628) 1.359 4.695 ( 0.745 -1.322 2.852) 3.230 4.820 ( -0.747 -0.067 -2.258) 2.379 4.975 ( -2.214 0.244 0.070) 2.228 5.400 ( -0.242 -0.555 2.100) 2.186 5.892 ( 1.407 1.812 2.425) 3.339 6.155 ( 3.612 -2.386 4.136) 5.988 6.231 ( -3.438 -1.493 3.299) 4.993 6.347 ( -2.908 0.035 0.337) 2.927 6.360 ( -0.169 -0.571 -6.325) 6.353 6.482 ( 3.410 1.105 -0.597) 3.634 6.745 ( -2.508 2.038 3.798) 4.987 6.827 ( 1.034 0.305 -6.461) 6.551 7.367 ( 1.137 -0.718 -0.853) 1.593 7.384 ( 1.413 -2.888 1.744) 3.658 7.719 ( -0.805 0.213 5.195) 5.261 7.859 ( 0.681 0.437 -5.826) 5.882 8.190 ( -0.794 1.372 3.731) 4.054 8.381 ( -0.037 3.599 -3.569) 5.069 9.247 ( -1.205 1.836 -2.262) 3.153 9.313 ( 0.284 0.522 0.414) 0.724 ======================= Grid point 252 (121/160) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -2.763 0.597 -1.094) 3.031 1.598 ( 3.103 -5.178 -0.293) 6.044 1.697 ( -1.825 -0.377 -3.069) 3.591 1.954 ( -0.508 -2.050 1.909) 2.847 2.069 ( 3.097 -3.289 -3.657) 5.812 2.256 ( -8.616 4.828 -0.779) 9.907 2.334 ( 3.441 -2.675 2.919) 5.245 2.445 ( 2.715 -0.821 3.702) 4.664 2.568 ( 6.192 0.866 -7.545) 9.798 2.872 ( -1.062 7.142 2.200) 7.548 2.947 ( -0.728 0.629 1.713) 1.965 2.994 ( -0.514 3.060 3.240) 4.486 3.087 ( 0.647 1.119 1.371) 1.884 3.120 ( 2.162 -1.528 1.469) 3.027 3.367 ( 0.128 -4.467 -4.535) 6.367 3.469 ( -0.256 -5.109 -6.451) 8.233 3.611 ( -1.932 0.009 2.919) 3.501 3.825 ( -2.836 0.183 -3.248) 4.316 4.364 ( -1.240 1.606 3.228) 3.813 4.458 ( 1.386 0.548 -0.076) 1.493 4.509 ( -2.251 1.640 1.233) 3.045 4.608 ( 3.338 0.428 -1.500) 3.685 4.720 ( 0.990 -0.287 1.129) 1.529 4.816 ( -1.735 -0.814 -2.314) 3.005 4.970 ( 2.265 0.378 0.511) 2.353 5.394 ( -1.403 0.721 2.700) 3.127 5.874 ( 1.635 1.896 4.090) 4.795 6.185 ( -5.426 2.346 2.354) 6.363 6.221 ( 3.363 -0.953 3.423) 4.892 6.345 ( -2.764 -1.063 0.405) 2.989 6.361 ( -0.205 -1.117 -6.209) 6.312 6.467 ( 3.132 3.201 0.700) 4.533 6.720 ( -2.766 -1.150 3.500) 4.607 6.850 ( 1.977 -2.311 -6.066) 6.785 7.332 ( -0.437 4.684 2.273) 5.225 7.420 ( -1.915 -0.945 -1.515) 2.618 7.748 ( -0.377 -3.390 4.701) 5.808 7.845 ( 0.843 1.121 -6.547) 6.696 8.226 ( 1.878 -4.193 1.227) 4.756 8.354 ( -0.322 -1.436 -2.012) 2.493 9.226 ( 0.373 0.012 -0.352) 0.513 9.316 ( 0.887 -0.357 0.199) 0.976 ======================= Grid point 253 (122/160) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -3.274 3.269 5.694) 7.337 1.681 ( 1.216 -0.282 8.361) 8.454 1.738 ( -1.119 -6.971 -11.435) 13.439 2.007 ( -2.719 0.836 1.626) 3.276 2.122 ( 0.110 -4.649 -5.585) 7.268 2.173 ( 1.649 -3.961 -5.662) 7.104 2.362 ( 3.635 2.220 1.504) 4.517 2.530 ( 3.090 -3.825 3.890) 6.270 2.655 ( 7.165 -3.396 -3.312) 8.593 2.740 ( 2.922 6.674 4.993) 8.832 2.884 ( -5.470 4.097 8.265) 10.725 2.947 ( 1.589 2.325 0.123) 2.819 3.109 ( 4.058 -1.644 2.226) 4.912 3.183 ( 4.139 -1.349 4.290) 6.112 3.402 ( -4.922 -1.773 -3.596) 6.348 3.547 ( -4.329 -4.149 -7.132) 9.318 3.610 ( -1.711 -3.117 -3.905) 5.281 3.782 ( -6.536 -0.074 -2.752) 7.092 4.323 ( -1.476 2.342 2.941) 4.039 4.416 ( -3.082 3.237 -0.471) 4.494 4.485 ( 2.704 1.785 1.381) 3.522 4.586 ( 3.373 4.710 -3.024) 6.535 4.718 ( 0.876 1.229 -0.264) 1.532 4.825 ( -1.282 -1.960 -2.232) 3.235 5.001 ( 6.516 -0.144 0.949) 6.586 5.364 ( -2.075 1.322 2.222) 3.315 5.857 ( 0.750 1.718 5.343) 5.662 6.082 ( -5.784 4.083 0.473) 7.096 6.251 ( 0.041 -0.415 4.972) 4.989 6.334 ( 0.981 0.856 -4.301) 4.494 6.389 ( 0.078 -2.042 -0.426) 2.088 6.434 ( 1.655 2.207 -0.700) 2.845 6.734 ( -2.163 -1.293 3.207) 4.079 6.897 ( 1.695 -0.706 -4.644) 4.994 7.242 ( -1.166 3.484 3.819) 5.299 7.392 ( -3.242 1.301 -2.953) 4.574 7.794 ( -0.289 -0.740 -1.321) 1.541 7.855 ( -0.354 -3.705 -3.366) 5.018 8.340 ( 2.864 -6.049 0.777) 6.738 8.422 ( -0.170 -6.153 -0.671) 6.192 9.251 ( 1.952 -1.753 1.814) 3.190 9.340 ( 1.876 -1.254 0.002) 2.256 ======================= Grid point 254 (123/160) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -0.305 -0.145 14.928) 14.932 1.648 ( -2.191 4.799 16.946) 17.748 1.839 ( -3.282 -6.750 -12.551) 14.624 1.942 ( 2.059 1.997 -8.322) 8.802 2.275 ( 2.843 -7.208 -4.388) 8.905 2.284 ( 3.207 -5.256 -2.457) 6.629 2.376 ( 4.799 -1.222 3.459) 6.040 2.571 ( -3.293 -0.684 -0.251) 3.372 2.658 ( 9.315 3.000 2.768) 10.170 2.755 ( -3.390 3.709 11.658) 12.695 2.811 ( 1.195 -1.463 -1.281) 2.282 2.960 ( 0.642 -3.069 2.315) 3.898 3.183 ( 7.344 -0.697 3.794) 8.296 3.226 ( 5.083 1.104 6.060) 7.986 3.352 ( -7.570 0.475 -2.641) 8.031 3.554 ( -8.110 -4.003 -4.650) 10.169 3.661 ( -1.829 -3.586 -10.305) 11.063 3.736 ( -7.258 -1.051 -4.867) 8.802 4.273 ( -1.652 1.921 1.145) 2.781 4.327 ( -3.025 3.803 -0.694) 4.909 4.439 ( 1.680 6.004 0.510) 6.256 4.501 ( 2.056 6.825 -4.789) 8.587 4.714 ( 2.451 -0.150 2.070) 3.212 4.855 ( -0.406 -2.149 -2.062) 3.006 5.070 ( 9.049 -0.905 0.140) 9.095 5.324 ( -2.821 1.295 0.735) 3.190 5.836 ( -0.854 1.334 6.017) 6.222 5.972 ( -4.858 3.519 -0.360) 6.009 6.257 ( -1.372 -0.310 6.950) 7.090 6.327 ( 2.442 0.794 -4.569) 5.241 6.391 ( 2.504 2.382 0.489) 3.490 6.449 ( -1.262 -3.357 -2.275) 4.247 6.712 ( -1.017 3.101 2.052) 3.855 6.852 ( -0.515 5.638 -3.124) 6.466 7.242 ( 0.577 -2.787 2.180) 3.586 7.346 ( -2.810 0.359 -1.725) 3.316 7.809 ( 0.605 -1.434 -1.136) 1.927 7.916 ( -3.076 -4.311 -3.803) 6.520 8.465 ( 2.525 -5.405 1.847) 6.245 8.538 ( -0.285 -6.592 -1.362) 6.738 9.312 ( 2.515 -2.630 3.559) 5.090 9.392 ( 3.441 -2.496 -0.892) 4.343 ======================= Grid point 255 (124/160) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 3.597 -3.002 20.559) 21.086 1.560 ( -2.713 3.688 20.251) 20.762 1.888 ( -0.879 -2.576 -13.054) 13.335 1.949 ( 2.723 -0.410 -11.484) 11.809 2.314 ( -4.731 1.303 5.392) 7.291 2.354 ( 5.298 -0.357 -4.360) 6.870 2.482 ( 0.938 -5.401 6.961) 8.860 2.619 ( 1.669 -4.979 3.025) 6.060 2.664 ( -0.227 3.138 10.282) 10.753 2.712 ( 6.116 -0.977 -1.786) 6.446 2.816 ( -4.784 0.582 3.187) 5.778 3.032 ( 1.116 -3.068 -7.535) 8.212 3.186 ( 3.373 4.300 4.958) 7.379 3.235 ( 1.067 1.453 5.371) 5.665 3.354 ( 3.606 -2.600 -0.200) 4.450 3.555 ( -9.632 -3.770 -4.331) 11.214 3.686 ( -2.983 -2.613 -7.801) 8.752 3.703 ( -3.779 -1.138 -8.292) 9.183 4.239 ( -2.011 1.230 0.855) 2.508 4.253 ( -1.308 1.793 -0.775) 2.351 4.329 ( -0.345 5.956 -0.847) 6.026 4.373 ( 1.325 7.412 -6.217) 9.764 4.762 ( 3.783 -1.534 3.811) 5.584 4.880 ( -1.329 -1.450 -2.252) 2.990 5.156 ( 9.450 -0.753 -0.812) 9.514 5.277 ( -5.216 0.820 -0.087) 5.280 5.812 ( -1.131 1.074 6.009) 6.208 5.901 ( -1.522 1.541 -1.692) 2.748 6.249 ( -3.670 0.322 8.128) 8.924 6.333 ( 3.833 0.605 -4.874) 6.230 6.388 ( 3.470 0.200 1.972) 3.996 6.494 ( -2.198 -3.354 -2.879) 4.936 6.633 ( -0.866 4.188 1.421) 4.506 6.722 ( -0.567 7.197 -4.651) 8.588 7.301 ( -1.338 -2.436 4.033) 4.898 7.348 ( 0.975 -1.693 -1.766) 2.634 7.846 ( 1.641 -1.637 0.152) 2.323 7.944 ( -4.196 -2.456 -4.276) 6.475 8.561 ( 1.888 -3.343 2.211) 4.430 8.621 ( -1.520 -3.440 -1.400) 4.013 9.374 ( 1.512 -1.847 4.869) 5.422 9.470 ( 4.202 -2.879 -3.635) 6.258 ======================= Grid point 257 (125/160) ======================= q-point: ( 0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -2.409 -0.000 21.266) 21.402 1.657 ( 4.209 0.000 15.137) 15.711 1.844 ( -4.376 -0.000 -15.279) 15.893 1.900 ( -1.087 -0.000 -13.612) 13.655 2.176 ( -6.003 -0.000 7.297) 9.449 2.296 ( -9.855 -0.000 7.540) 12.408 2.578 ( -8.510 -0.000 0.890) 8.556 2.596 ( 3.563 0.000 -0.417) 3.587 2.695 ( -3.290 -0.000 -2.360) 4.048 2.740 ( 2.406 0.000 18.125) 18.284 2.926 ( 9.290 0.000 -4.205) 10.197 2.986 ( -0.004 -0.000 -4.269) 4.269 3.194 ( -0.220 -0.000 -2.848) 2.857 3.239 ( -4.644 -0.000 -1.872) 5.007 3.467 ( 5.179 0.000 -2.412) 5.713 3.549 ( -2.402 -0.000 3.228) 4.024 3.623 ( 9.660 0.000 -2.087) 9.883 3.753 ( 3.598 0.000 -3.779) 5.218 4.169 ( -0.812 -0.000 2.534) 2.661 4.244 ( -0.703 -0.000 -1.411) 1.577 4.277 ( 2.778 0.000 -1.084) 2.982 4.326 ( 2.395 0.000 -4.811) 5.375 4.825 ( -2.871 -0.000 -3.586) 4.594 4.832 ( -3.922 -0.000 2.986) 4.930 5.082 ( -5.667 -0.000 0.790) 5.722 5.269 ( -1.084 -0.000 0.809) 1.353 5.853 ( 3.844 0.000 3.436) 5.156 5.965 ( 7.007 0.000 -6.322) 9.438 6.162 ( -3.702 -0.000 7.877) 8.704 6.377 ( -2.870 -0.000 -1.735) 3.354 6.441 ( 0.146 0.000 -6.790) 6.792 6.469 ( 1.276 0.000 5.525) 5.670 6.632 ( 2.660 0.000 -4.497) 5.225 6.655 ( 3.949 0.000 -1.571) 4.250 7.280 ( -1.991 -0.000 4.510) 4.930 7.431 ( 3.325 0.000 -3.171) 4.594 7.880 ( -1.563 -0.000 -2.853) 3.253 7.935 ( 3.865 0.000 2.182) 4.438 8.573 ( -4.647 -0.000 1.415) 4.858 8.623 ( -0.249 -0.000 2.382) 2.395 9.389 ( -2.790 -0.000 3.603) 4.557 9.496 ( -3.072 -0.000 -6.893) 7.547 ======================= Grid point 258 (126/160) ======================= q-point: ( 0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -3.433 0.641 15.294) 15.688 1.669 ( 6.261 4.164 17.167) 18.741 1.777 ( -2.683 1.057 -11.065) 11.434 1.904 ( -2.701 -3.274 -13.802) 14.440 2.173 ( -5.519 -2.194 4.487) 7.443 2.197 ( -8.763 2.935 8.031) 12.244 2.515 ( -9.976 0.033 -3.202) 10.478 2.558 ( -6.540 2.098 -1.387) 7.007 2.666 ( 4.409 2.423 -2.050) 5.432 2.748 ( 1.019 3.033 11.983) 12.403 2.956 ( 6.295 1.327 -4.435) 7.815 3.030 ( 2.855 -3.284 -0.470) 4.377 3.160 ( -6.241 0.871 -0.696) 6.340 3.255 ( -1.233 -3.678 -3.255) 5.064 3.473 ( 0.323 3.899 -1.100) 4.063 3.529 ( 3.670 0.185 0.857) 3.773 3.648 ( 9.507 5.620 0.479) 11.054 3.772 ( 7.549 1.112 -0.722) 7.665 4.225 ( 0.897 -4.743 1.536) 5.066 4.266 ( -0.705 -3.329 1.106) 3.578 4.321 ( 3.280 -2.856 -2.446) 4.990 4.386 ( 0.226 -4.671 -3.039) 5.577 4.741 ( -6.207 2.787 -0.346) 6.813 4.833 ( -3.730 -1.631 -1.534) 4.350 5.047 ( -1.224 1.643 0.788) 2.194 5.273 ( -3.036 -2.314 0.811) 3.902 5.907 ( 4.456 -2.019 3.134) 5.809 5.999 ( 5.647 0.667 -5.738) 8.078 6.155 ( -2.244 -0.530 7.136) 7.499 6.344 ( -5.126 -0.269 -1.425) 5.328 6.424 ( 1.446 1.092 -3.885) 4.287 6.513 ( 3.169 0.256 -0.369) 3.200 6.605 ( 0.551 -2.066 1.015) 2.367 6.786 ( 3.545 -6.489 -4.284) 8.546 7.259 ( -0.667 1.213 3.846) 4.087 7.422 ( 2.799 3.098 -3.142) 5.226 7.848 ( -0.068 2.568 -1.578) 3.015 7.948 ( 3.500 1.909 1.787) 4.370 8.497 ( -4.942 4.515 3.354) 7.487 8.606 ( -1.072 1.862 1.253) 2.487 9.359 ( -3.255 0.964 1.982) 3.931 9.438 ( -3.975 2.355 -5.870) 7.470 ======================= Grid point 259 (127/160) ======================= q-point: ( 0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -1.446 0.259 6.846) 7.002 1.616 ( 4.399 7.236 11.618) 14.377 1.774 ( 2.496 0.549 -2.035) 3.267 1.958 ( -3.402 -5.521 -0.831) 6.538 2.064 ( -3.109 3.701 1.980) 5.224 2.194 ( -3.575 -0.529 0.104) 3.616 2.363 ( -9.345 4.861 -3.915) 11.238 2.530 ( -9.881 -4.459 -0.593) 10.857 2.661 ( 4.251 4.594 0.165) 6.261 2.713 ( -2.838 -2.902 -1.997) 4.524 2.990 ( 4.693 -0.686 -1.146) 4.879 3.066 ( -1.074 2.280 -4.882) 5.494 3.103 ( -4.949 -0.390 -0.897) 5.044 3.288 ( 0.432 -0.019 -2.915) 2.947 3.395 ( 1.725 4.496 3.382) 5.885 3.520 ( 2.340 3.878 0.957) 4.629 3.640 ( 8.440 2.728 2.262) 9.154 3.818 ( 8.184 0.611 0.567) 8.226 4.313 ( 2.509 -3.435 0.565) 4.291 4.343 ( 0.869 -4.910 1.898) 5.336 4.420 ( -0.453 -5.138 -0.780) 5.217 4.447 ( -2.304 -4.438 -2.390) 5.542 4.667 ( -3.894 0.813 0.868) 4.072 4.830 ( -2.276 -0.797 -2.145) 3.227 5.004 ( -0.369 2.294 0.374) 2.354 5.305 ( -3.644 -3.899 0.819) 5.400 5.965 ( 5.311 1.182 0.409) 5.457 6.038 ( 3.317 -2.938 -1.975) 4.852 6.155 ( -3.009 -0.832 6.776) 7.461 6.319 ( -3.522 -1.011 -2.714) 4.560 6.405 ( -0.456 1.631 0.017) 1.694 6.506 ( 3.848 1.447 -4.595) 6.166 6.708 ( 0.767 -6.314 2.751) 6.930 6.872 ( 1.126 -0.892 -2.209) 2.635 7.268 ( 1.934 -2.198 0.910) 3.066 7.372 ( 1.889 3.685 -1.483) 4.398 7.794 ( 0.704 3.477 0.166) 3.551 7.925 ( 1.980 3.076 -0.251) 3.667 8.367 ( -3.872 6.424 5.133) 9.089 8.544 ( -1.448 3.994 -0.718) 4.309 9.318 ( -2.746 1.293 -0.476) 3.072 9.361 ( -2.986 2.365 -3.572) 5.222 ======================= Grid point 260 (128/160) ======================= q-point: ( 0.44 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 3.367 -1.930 2.461) 4.596 1.536 ( 5.132 6.724 7.745) 11.469 1.741 ( -2.597 2.569 0.331) 3.668 1.959 ( 0.144 0.264 6.405) 6.412 2.086 ( -3.545 7.002 -2.853) 8.351 2.136 ( 3.542 -7.133 -2.268) 8.281 2.321 ( -5.841 -5.159 0.949) 7.851 2.480 ( -11.086 2.866 -1.486) 11.546 2.623 ( 2.491 0.417 -6.081) 6.585 2.796 ( -1.484 -7.097 -3.898) 8.232 2.959 ( -5.882 3.741 -5.013) 8.586 3.032 ( 3.338 -0.137 3.188) 4.618 3.085 ( -4.275 -1.421 -4.743) 6.541 3.253 ( 0.922 3.897 -3.283) 5.178 3.350 ( 4.665 4.327 4.662) 7.888 3.466 ( 1.158 3.506 1.727) 4.076 3.658 ( 6.149 2.062 2.817) 7.071 3.855 ( 4.757 1.180 -1.051) 5.013 4.375 ( 0.217 -1.307 2.437) 2.774 4.424 ( 0.169 -2.714 -1.319) 3.022 4.454 ( -2.728 -4.146 0.772) 5.023 4.542 ( 1.367 -4.372 -1.430) 4.799 4.660 ( -1.539 -1.848 2.836) 3.718 4.817 ( -1.499 0.477 -1.550) 2.209 4.978 ( 1.376 0.774 0.044) 1.579 5.343 ( -4.724 -3.417 1.344) 5.983 5.958 ( 4.401 2.825 -1.264) 5.380 6.132 ( 2.300 -4.590 0.825) 5.200 6.153 ( -4.530 -1.472 6.972) 8.443 6.322 ( -1.243 -1.513 -4.726) 5.115 6.361 ( -1.860 2.245 2.416) 3.787 6.522 ( 3.925 -0.147 -4.587) 6.038 6.776 ( 0.062 0.619 2.823) 2.891 6.856 ( 1.789 1.766 -2.054) 3.246 7.343 ( 1.406 -0.825 -2.364) 2.871 7.352 ( 1.617 -3.112 2.548) 4.335 7.746 ( 0.466 2.546 2.179) 3.383 7.878 ( -0.063 2.385 -3.218) 4.006 8.249 ( -0.793 5.017 5.210) 7.276 8.451 ( -1.600 4.871 -2.596) 5.747 9.268 ( -1.754 1.919 -2.810) 3.828 9.318 ( -1.591 0.552 -0.597) 1.787 ======================= Grid point 261 (129/160) ======================= q-point: ( 0.56 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 3.829 4.733 1.100) 6.187 1.570 ( 6.931 -2.847 2.469) 7.889 1.693 ( -1.489 0.885 -0.773) 1.897 1.954 ( -3.237 3.409 1.725) 5.007 2.004 ( 0.175 -3.637 -1.597) 3.976 2.283 ( -2.820 1.030 0.476) 3.040 2.299 ( -3.666 -0.425 0.610) 3.741 2.398 ( -1.541 -4.999 1.334) 5.399 2.623 ( 3.709 1.405 -9.885) 10.651 2.877 ( -4.645 -3.366 -1.490) 5.927 2.918 ( -2.215 -3.299 0.300) 3.985 3.038 ( -0.139 2.578 2.633) 3.687 3.081 ( -0.379 -2.276 -0.007) 2.307 3.172 ( 0.734 5.121 -3.282) 6.127 3.335 ( 3.189 0.892 0.590) 3.363 3.429 ( 0.808 0.899 -2.537) 2.810 3.653 ( 3.380 3.094 4.172) 6.197 3.838 ( 0.277 2.576 -3.062) 4.011 4.373 ( -1.689 0.265 2.555) 3.075 4.452 ( -1.173 -1.170 -1.832) 2.470 4.502 ( -0.453 -1.468 2.331) 2.792 4.612 ( 3.033 -2.294 -1.111) 3.961 4.698 ( -0.718 -2.545 1.779) 3.187 4.794 ( -2.079 0.427 -0.608) 2.208 5.000 ( 5.157 -0.298 0.158) 5.168 5.351 ( -6.287 -2.032 2.167) 6.954 5.943 ( 4.416 2.479 0.012) 5.064 6.141 ( -8.177 -1.749 4.850) 9.667 6.226 ( 3.870 -2.416 2.349) 5.131 6.309 ( -1.676 1.161 1.383) 2.464 6.340 ( -0.699 -1.108 -3.506) 3.743 6.541 ( 2.981 1.034 -3.369) 4.616 6.729 ( 0.147 3.194 4.831) 5.793 6.849 ( 2.959 0.701 -5.139) 5.971 7.368 ( -0.826 -1.319 0.136) 1.562 7.398 ( 0.080 0.159 0.260) 0.315 7.720 ( -0.574 0.307 5.436) 5.475 7.853 ( 0.185 0.096 -5.744) 5.748 8.207 ( 1.892 0.472 2.799) 3.411 8.361 ( -1.620 3.039 -3.228) 4.720 9.234 ( -0.002 0.800 -1.468) 1.672 9.308 ( -0.902 -0.500 -0.428) 1.117 ======================= Grid point 262 (130/160) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.898 3.792 2.400) 4.576 1.653 ( 0.618 -0.470 -9.643) 9.674 1.687 ( 4.491 -1.777 6.175) 7.839 1.946 ( -1.360 -3.887 0.587) 4.160 2.081 ( -0.719 -5.287 -3.112) 6.177 2.104 ( -8.594 3.832 -1.057) 9.469 2.397 ( 3.206 -1.326 0.743) 3.548 2.476 ( 0.211 -3.763 1.907) 4.224 2.655 ( 7.008 -2.576 -3.579) 8.280 2.878 ( 0.022 3.522 3.735) 5.134 2.896 ( -3.688 1.404 3.831) 5.500 3.018 ( 1.585 2.200 -2.352) 3.590 3.107 ( 2.076 0.178 0.467) 2.135 3.153 ( 1.374 -4.179 1.417) 4.622 3.339 ( -3.127 -0.853 0.090) 3.243 3.453 ( 0.145 -2.973 -9.657) 10.105 3.612 ( 0.675 3.449 3.991) 5.318 3.771 ( -2.889 3.180 -3.874) 5.785 4.352 ( -1.036 1.496 3.042) 3.545 4.435 ( -2.845 1.275 -1.009) 3.277 4.520 ( 2.328 -0.007 2.231) 3.225 4.650 ( 1.456 0.518 -1.705) 2.301 4.729 ( 0.531 -0.772 0.424) 1.028 4.775 ( -2.501 -0.806 -1.250) 2.909 5.060 ( 8.819 -0.457 0.613) 8.852 5.328 ( -7.610 -1.045 2.545) 8.092 5.932 ( 4.699 2.998 2.103) 5.958 6.090 ( -7.781 1.346 2.889) 8.408 6.245 ( -1.404 0.496 4.060) 4.325 6.331 ( 2.291 -2.074 2.686) 4.095 6.349 ( 0.066 -0.845 -5.975) 6.035 6.512 ( 1.220 3.469 -2.482) 4.436 6.711 ( 1.002 -0.113 5.305) 5.400 6.876 ( 2.516 -1.857 -5.852) 6.635 7.326 ( -0.785 5.319 1.529) 5.590 7.378 ( -2.992 0.100 -0.994) 3.155 7.747 ( -1.085 -2.802 4.532) 5.438 7.844 ( 0.850 0.814 -6.437) 6.544 8.263 ( 2.001 -4.353 1.576) 5.043 8.338 ( -0.714 -2.350 -2.734) 3.675 9.241 ( 1.548 -0.972 0.618) 1.929 9.320 ( -0.307 -1.501 -0.814) 1.735 ======================= Grid point 263 (131/160) ======================= q-point: (-0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -0.565 2.632 10.353) 10.698 1.680 ( -3.634 -4.915 -13.247) 14.589 1.720 ( 0.032 2.360 13.515) 13.719 1.963 ( 0.237 -0.324 -5.272) 5.287 2.130 ( 0.619 -7.885 -0.862) 7.956 2.176 ( -0.980 -7.083 -3.982) 8.185 2.420 ( 4.007 0.539 0.356) 4.059 2.521 ( -2.185 -2.175 -2.851) 4.199 2.752 ( 3.775 0.796 5.555) 6.763 2.828 ( 4.542 2.306 6.135) 7.974 2.847 ( 0.811 2.476 1.597) 3.056 2.952 ( 0.025 2.726 -1.672) 3.198 3.193 ( 5.182 -4.789 1.669) 7.250 3.227 ( 0.409 -1.435 5.309) 5.515 3.329 ( -3.407 -1.741 -3.411) 5.126 3.464 ( -3.939 -0.315 -7.576) 8.545 3.577 ( -2.492 -0.533 0.077) 2.550 3.698 ( -2.590 1.664 -6.006) 6.749 4.308 ( -0.855 2.845 2.892) 4.146 4.374 ( -1.884 3.340 -1.465) 4.105 4.529 ( 2.550 2.250 2.005) 3.948 4.608 ( -0.004 4.144 -2.911) 5.064 4.728 ( -0.715 0.244 2.472) 2.585 4.795 ( -0.409 -2.441 -3.714) 4.463 5.141 ( 10.291 -0.275 1.247) 10.370 5.285 ( -8.093 -0.671 1.514) 8.261 5.907 ( 4.103 3.936 3.891) 6.890 5.997 ( -5.460 3.167 1.045) 6.398 6.237 ( -2.361 -0.598 6.440) 6.885 6.355 ( 2.731 0.271 -4.841) 5.565 6.386 ( 0.218 -2.536 -0.853) 2.685 6.451 ( -0.293 3.163 -1.903) 3.702 6.740 ( 1.697 -0.321 5.320) 5.593 6.902 ( -0.020 0.625 -5.728) 5.762 7.244 ( 0.588 2.430 3.281) 4.125 7.338 ( -2.799 1.426 -2.579) 4.065 7.785 ( -1.277 -2.062 0.996) 2.622 7.841 ( 0.239 -1.183 -5.018) 5.161 8.366 ( -1.233 -6.507 3.970) 7.722 8.424 ( 2.006 -6.250 -3.602) 7.487 9.287 ( 2.004 -2.327 2.334) 3.857 9.357 ( 0.457 -2.794 -1.589) 3.246 ======================= Grid point 264 (132/160) ======================= q-point: (-0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 3.569 -3.363 18.332) 18.976 1.607 ( -7.863 4.021 14.387) 16.881 1.775 ( -1.247 -5.711 -9.911) 11.507 1.979 ( 4.639 1.018 -11.755) 12.679 2.251 ( -6.109 -7.554 3.094) 10.196 2.291 ( -1.512 -4.258 -0.294) 4.528 2.463 ( 6.204 -0.986 1.105) 6.379 2.536 ( -1.208 -3.764 -4.559) 6.034 2.710 ( -3.399 3.423 9.304) 10.480 2.801 ( 4.847 3.323 -1.059) 5.971 2.819 ( 1.645 2.442 5.069) 5.862 2.997 ( 3.507 -2.581 -5.332) 6.884 3.207 ( -4.241 0.337 8.124) 9.170 3.330 ( 7.082 -5.237 1.494) 8.934 3.342 ( 5.572 3.060 0.201) 6.360 3.424 ( -7.081 -2.045 -4.704) 8.743 3.579 ( -6.179 -3.098 -2.470) 7.340 3.670 ( 0.480 -0.423 -9.782) 9.803 4.261 ( 0.036 2.159 1.433) 2.592 4.296 ( -0.650 3.821 -0.957) 3.992 4.455 ( -0.024 7.318 0.701) 7.352 4.507 ( 0.003 6.815 -4.080) 7.943 4.749 ( 0.299 -2.468 3.935) 4.654 4.830 ( -0.227 -2.099 -3.797) 4.344 5.196 ( -2.514 -0.353 3.171) 4.062 5.251 ( 1.941 0.322 -1.708) 2.606 5.868 ( 2.534 3.549 4.324) 6.141 5.924 ( -0.305 2.124 -1.387) 2.555 6.231 ( -3.680 -0.018 7.719) 8.551 6.369 ( 4.116 0.541 -4.500) 6.123 6.409 ( -0.500 0.489 -0.222) 0.733 6.428 ( -0.369 -2.369 -2.706) 3.615 6.716 ( -0.300 4.823 4.969) 6.931 6.836 ( 0.425 5.219 -5.716) 7.752 7.261 ( 0.277 -1.454 2.618) 3.008 7.314 ( 0.021 -1.764 -2.174) 2.800 7.820 ( 0.042 -2.661 0.644) 2.738 7.868 ( -1.033 -2.396 -4.043) 4.812 8.474 ( -2.489 -6.625 3.953) 8.107 8.540 ( 1.432 -5.180 -2.427) 5.897 9.346 ( 0.844 -2.541 3.516) 4.420 9.421 ( 0.917 -4.056 -3.370) 5.352 ======================= Grid point 267 (133/160) ======================= q-point: ( 0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 0.809 0.000 18.969) 18.987 1.694 ( -4.126 -0.000 -12.593) 13.251 1.773 ( 0.708 0.000 12.334) 12.354 1.864 ( 0.136 0.000 -13.122) 13.123 2.100 ( -5.512 -0.000 4.247) 6.958 2.172 ( -8.445 -0.000 5.932) 10.320 2.402 ( -13.670 -0.000 -2.636) 13.922 2.539 ( -7.122 -0.000 -1.868) 7.363 2.737 ( 6.124 0.000 -1.450) 6.294 2.849 ( 5.675 0.000 18.825) 19.662 2.965 ( -2.863 -0.000 -2.084) 3.541 3.025 ( 4.100 0.000 -4.676) 6.219 3.135 ( -6.268 -0.000 0.265) 6.274 3.187 ( 0.716 0.000 -6.095) 6.137 3.515 ( -1.217 -0.000 4.634) 4.791 3.551 ( 4.472 0.000 -5.138) 6.812 3.802 ( 12.328 0.000 -0.364) 12.334 3.826 ( 6.386 0.000 2.259) 6.774 4.174 ( 0.835 0.000 1.531) 1.744 4.246 ( 1.199 0.000 -0.550) 1.319 4.308 ( 1.114 0.000 -2.729) 2.948 4.357 ( 2.431 0.000 -0.973) 2.619 4.710 ( -9.573 -0.000 -0.013) 9.573 4.780 ( -2.002 -0.000 -4.939) 5.329 5.073 ( 1.677 0.000 1.642) 2.347 5.220 ( -4.692 -0.000 0.302) 4.702 5.924 ( 4.658 0.000 3.433) 5.786 6.034 ( 3.270 0.000 -3.040) 4.465 6.157 ( 1.115 0.000 4.632) 4.764 6.299 ( -5.166 -0.000 -1.160) 5.294 6.444 ( 0.728 0.000 -7.373) 7.409 6.496 ( 1.033 0.000 4.785) 4.896 6.656 ( 1.463 0.000 -5.998) 6.174 6.712 ( 3.484 0.000 -1.370) 3.744 7.276 ( 0.412 0.000 4.698) 4.716 7.468 ( 2.647 0.000 -3.805) 4.635 7.876 ( 1.704 0.000 -1.821) 2.494 7.994 ( 3.079 0.000 2.951) 4.265 8.505 ( -4.806 -0.000 3.071) 5.703 8.611 ( -2.085 -0.000 2.912) 3.581 9.339 ( -4.249 -0.000 1.056) 4.378 9.415 ( -5.488 -0.000 -5.908) 8.064 ======================= Grid point 268 (134/160) ======================= q-point: ( 0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 1.511 2.932 7.915) 8.575 1.716 ( -3.196 -2.032 2.685) 4.642 1.785 ( 4.545 -1.070 8.055) 9.311 1.850 ( -0.245 -0.551 -10.413) 10.430 2.096 ( -6.718 0.532 3.952) 7.812 2.110 ( -3.499 -2.158 2.251) 4.687 2.330 ( -13.268 -3.050 -2.434) 13.830 2.434 ( -8.115 4.759 -1.972) 9.612 2.738 ( 4.636 4.115 0.672) 6.235 2.774 ( -0.504 6.668 3.070) 7.358 3.017 ( 2.018 0.262 -3.333) 3.906 3.040 ( -3.240 -2.891 -1.626) 4.637 3.074 ( -2.204 0.762 4.583) 5.142 3.254 ( 1.182 -4.116 -4.794) 6.428 3.481 ( 1.683 3.331 3.532) 5.138 3.573 ( 1.769 0.567 -2.022) 2.746 3.790 ( 8.514 5.954 3.282) 10.896 3.904 ( 9.081 1.034 1.219) 9.220 4.238 ( 0.590 -5.587 0.999) 5.706 4.273 ( 1.179 -2.417 0.497) 2.735 4.355 ( -0.455 -4.201 -3.234) 5.322 4.380 ( 0.756 -1.030 0.012) 1.277 4.646 ( -4.442 0.261 -1.115) 4.588 4.780 ( -1.948 -1.823 -5.005) 5.672 5.061 ( 1.142 2.610 1.674) 3.304 5.212 ( -4.509 -2.810 -0.100) 5.314 5.984 ( 4.554 -2.279 3.573) 6.221 6.049 ( 2.683 0.713 -1.398) 3.108 6.155 ( -0.063 1.394 3.140) 3.437 6.273 ( -3.255 -0.955 -0.860) 3.500 6.426 ( 0.077 1.025 -4.205) 4.329 6.537 ( -0.049 -0.616 -1.531) 1.651 6.627 ( 1.911 -1.815 0.100) 2.637 6.814 ( 1.150 -5.702 -3.819) 6.958 7.279 ( 2.099 0.806 4.184) 4.750 7.452 ( 2.196 3.294 -3.405) 5.222 7.865 ( 2.608 2.926 -1.040) 4.055 7.992 ( 1.520 2.575 2.152) 3.684 8.439 ( -3.396 3.992 4.524) 6.923 8.580 ( -2.711 1.847 1.886) 3.784 9.306 ( -3.758 0.280 -0.367) 3.787 9.358 ( -4.924 1.065 -4.757) 6.929 ======================= Grid point 269 (135/160) ======================= q-point: ( 0.44 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 5.006 -0.565 3.385) 6.070 1.682 ( 1.499 3.974 10.412) 11.245 1.781 ( -0.089 3.409 -4.466) 5.619 1.971 ( 2.707 -7.856 8.314) 11.755 2.029 ( -1.777 0.544 -1.973) 2.710 2.152 ( -1.804 -0.686 -1.439) 2.407 2.215 ( -8.471 3.196 0.099) 9.055 2.364 ( -11.108 -4.467 -2.467) 12.224 2.646 ( -2.305 3.632 -4.023) 5.890 2.744 ( 4.158 0.332 -0.223) 4.177 2.985 ( -5.959 4.278 -4.852) 8.795 3.017 ( -3.758 -1.284 -4.482) 5.988 3.064 ( 1.306 0.706 4.221) 4.475 3.294 ( 0.635 0.001 -4.682) 4.725 3.458 ( 4.890 2.827 3.003) 6.398 3.539 ( 0.156 3.843 2.382) 4.524 3.765 ( 7.211 4.008 3.568) 8.988 3.928 ( 5.924 2.515 0.772) 6.482 4.336 ( 0.140 -4.560 2.981) 5.449 4.354 ( -2.125 -4.257 0.510) 4.785 4.370 ( -1.080 -2.568 -0.874) 2.920 4.456 ( 1.614 -5.167 -4.707) 7.174 4.636 ( -0.193 -0.709 1.765) 1.912 4.794 ( -1.494 -1.423 -4.043) 4.540 5.024 ( 2.310 2.320 1.260) 3.507 5.238 ( -5.102 -3.781 0.089) 6.351 6.040 ( 2.780 2.355 -2.842) 4.621 6.056 ( -0.435 -2.179 3.104) 3.817 6.140 ( 0.970 -0.633 5.007) 5.139 6.283 ( -0.526 -1.686 -1.142) 2.103 6.393 ( -1.104 2.271 -0.350) 2.549 6.523 ( -0.444 -0.345 -5.860) 5.887 6.737 ( 2.405 -5.841 2.382) 6.751 6.878 ( -0.015 -1.157 -1.141) 1.625 7.309 ( 2.926 -2.106 1.336) 3.845 7.393 ( 1.466 4.116 -1.761) 4.711 7.817 ( 2.218 4.206 0.256) 4.762 7.934 ( -0.744 4.190 -0.394) 4.274 8.345 ( -0.389 5.282 5.538) 7.663 8.510 ( -2.833 3.776 -0.308) 4.730 9.274 ( -2.442 0.670 -2.092) 3.284 9.307 ( -3.306 0.518 -2.457) 4.151 ======================= Grid point 270 (136/160) ======================= q-point: ( 0.56 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 8.290 -2.264 0.245) 8.597 1.633 ( 5.321 5.710 8.608) 11.620 1.707 ( -1.491 2.737 0.894) 3.242 1.977 ( -1.509 0.903 -0.682) 1.886 2.015 ( -2.601 6.070 -0.447) 6.619 2.195 ( 3.394 -9.648 3.705) 10.878 2.260 ( -2.847 -4.523 1.725) 5.616 2.303 ( -10.494 0.953 -2.794) 10.901 2.626 ( 1.038 -2.046 -10.210) 10.464 2.789 ( -2.132 -1.543 -3.002) 3.992 2.853 ( -3.661 0.589 -1.937) 4.184 3.010 ( -4.574 -2.441 -3.386) 6.193 3.079 ( 1.691 0.655 5.091) 5.404 3.256 ( -0.146 3.735 -3.549) 5.154 3.431 ( 4.271 5.089 1.568) 6.826 3.473 ( 0.549 2.994 0.050) 3.045 3.753 ( 5.098 3.661 4.593) 7.778 3.902 ( 1.926 3.761 -1.915) 4.639 4.352 ( -2.910 -1.095 2.750) 4.151 4.407 ( -0.860 -2.605 -0.337) 2.764 4.457 ( 1.609 -4.156 -0.852) 4.537 4.550 ( -0.856 -5.499 -2.699) 6.186 4.664 ( 1.818 -1.372 3.436) 4.122 4.789 ( -1.638 0.258 -1.748) 2.409 5.037 ( 5.890 -0.201 0.608) 5.925 5.254 ( -7.039 -2.990 0.797) 7.689 6.014 ( 3.532 2.353 -3.316) 5.386 6.050 ( -7.367 -1.517 4.430) 8.729 6.212 ( 4.760 -2.799 4.295) 6.996 6.312 ( 0.510 -1.504 -1.599) 2.253 6.340 ( -1.267 2.450 1.764) 3.274 6.532 ( -1.267 -1.528 -5.302) 5.661 6.804 ( 2.667 1.709 2.664) 4.139 6.879 ( 1.259 0.210 -1.257) 1.791 7.348 ( -0.859 0.585 2.955) 3.132 7.381 ( 2.403 -2.416 -2.841) 4.436 7.761 ( 0.990 3.565 2.094) 4.252 7.860 ( -1.073 2.225 -3.305) 4.126 8.270 ( 1.763 4.224 4.621) 6.504 8.413 ( -2.513 4.539 -2.390) 5.712 9.245 ( -0.548 0.785 -2.062) 2.273 9.287 ( -2.219 -0.506 -1.045) 2.504 ======================= Grid point 271 (137/160) ======================= q-point: (-0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 4.185 7.189 3.341) 8.964 1.667 ( -0.291 0.821 -2.902) 3.030 1.716 ( 9.767 -1.457 2.771) 10.257 1.897 ( -4.438 0.959 -2.940) 5.409 2.001 ( 0.464 -1.545 0.995) 1.896 2.110 ( -10.640 5.068 -1.579) 11.891 2.365 ( 3.319 -4.882 0.125) 5.904 2.388 ( -0.128 -7.086 3.839) 8.061 2.653 ( 2.186 -1.177 -5.549) 6.079 2.784 ( -5.288 -5.265 -5.409) 9.216 2.924 ( 1.751 -3.404 3.126) 4.943 3.023 ( -1.661 -1.022 -1.645) 2.552 3.078 ( -0.731 -1.921 3.237) 3.834 3.176 ( 0.693 4.593 -4.136) 6.219 3.358 ( -0.979 4.218 4.446) 6.206 3.449 ( 3.095 1.610 -6.588) 7.455 3.706 ( 1.364 5.067 5.918) 7.909 3.831 ( 0.466 4.682 -4.759) 6.692 4.357 ( -0.874 -0.547 2.722) 2.911 4.419 ( -2.074 -0.545 -1.460) 2.594 4.526 ( 2.375 -1.885 2.301) 3.806 4.618 ( -2.162 -3.376 -1.755) 4.376 4.710 ( 1.246 -1.711 2.279) 3.110 4.767 ( -0.388 0.787 -1.429) 1.677 5.109 ( 8.703 -1.441 0.646) 8.845 5.239 ( -8.808 -1.948 1.507) 9.145 6.007 ( 3.037 1.465 0.096) 3.374 6.025 ( -6.691 -1.262 3.309) 7.571 6.259 ( -0.668 0.697 2.315) 2.509 6.318 ( 1.533 -0.283 -1.728) 2.327 6.347 ( 3.130 -1.334 3.211) 4.679 6.531 ( -2.577 -0.148 -4.398) 5.099 6.767 ( 2.177 3.505 4.720) 6.270 6.879 ( 2.159 0.778 -5.137) 5.627 7.350 ( -1.679 -0.899 2.268) 2.961 7.395 ( 0.340 2.138 -2.176) 3.070 7.724 ( -0.413 0.777 5.587) 5.656 7.845 ( 0.466 -0.519 -5.816) 5.858 8.242 ( 1.222 0.604 2.928) 3.230 8.329 ( -1.103 2.242 -3.777) 4.529 9.241 ( 1.235 -0.247 -0.330) 1.302 9.286 ( -1.716 -1.270 -1.193) 2.445 ======================= Grid point 272 (138/160) ======================= q-point: (-0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.307 6.444 5.942) 8.771 1.610 ( -2.620 1.147 -9.063) 9.504 1.779 ( 1.676 2.147 7.545) 8.022 1.915 ( 1.296 -4.409 -5.328) 7.035 2.041 ( -1.004 -3.128 0.490) 3.321 2.044 ( -2.295 -4.067 -0.181) 4.673 2.438 ( 2.315 -1.716 -0.721) 2.971 2.468 ( -0.520 -2.259 -2.163) 3.171 2.733 ( 0.684 -5.165 4.659) 6.989 2.842 ( 0.673 -3.354 -4.273) 5.474 2.918 ( 1.967 3.696 4.700) 6.294 3.020 ( -0.457 3.415 -4.198) 5.431 3.146 ( 2.140 -3.199 0.550) 3.888 3.165 ( 0.416 -6.238 0.234) 6.256 3.288 ( -3.652 2.262 3.435) 5.500 3.431 ( -0.305 0.918 -9.105) 9.156 3.622 ( -1.461 4.627 6.031) 7.741 3.748 ( 1.874 4.618 -6.017) 7.813 4.352 ( 0.313 1.557 3.298) 3.660 4.401 ( -0.909 1.005 -1.277) 1.862 4.568 ( 3.013 -0.234 2.981) 4.245 4.625 ( -3.295 -0.115 -2.296) 4.018 4.713 ( -3.390 0.143 2.986) 4.520 4.781 ( 3.397 -0.689 -3.353) 4.822 5.183 ( -4.115 -0.713 2.896) 5.082 5.222 ( 4.329 -1.849 -0.394) 4.724 5.976 ( -6.076 0.806 4.755) 7.757 6.016 ( 3.991 2.164 0.619) 4.582 6.236 ( -0.481 0.982 4.244) 4.383 6.335 ( 0.363 -1.333 -4.871) 5.063 6.394 ( 3.727 -0.129 3.257) 4.951 6.485 ( -3.018 2.200 -4.137) 5.573 6.753 ( 1.871 0.111 5.442) 5.756 6.884 ( -0.073 -0.856 -6.885) 6.938 7.324 ( 0.457 4.994 1.226) 5.163 7.344 ( -0.882 0.819 -0.508) 1.307 7.736 ( -1.529 -1.687 4.675) 5.200 7.847 ( 1.285 0.467 -6.164) 6.314 8.260 ( -3.063 -3.236 3.717) 5.802 8.347 ( 2.724 -3.882 -4.538) 6.564 9.270 ( 1.871 -1.432 1.204) 2.645 9.305 ( -1.311 -2.375 -1.869) 3.295 ======================= Grid point 273 (139/160) ======================= q-point: (-0.11 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 1.039 0.008 13.705) 13.744 1.579 ( -6.395 -0.681 -6.912) 9.441 1.735 ( -0.219 1.593 8.218) 8.374 2.008 ( 5.799 -2.050 -7.289) 9.537 2.085 ( -5.843 -4.476 0.732) 7.396 2.158 ( -0.763 -8.501 -1.618) 8.688 2.477 ( -2.962 -0.877 -3.816) 4.909 2.485 ( 4.754 -1.437 -0.293) 4.975 2.746 ( -4.980 2.030 5.094) 7.408 2.887 ( 4.446 1.025 2.925) 5.420 2.894 ( -0.074 5.805 -3.081) 6.572 2.970 ( 4.142 -3.430 -2.716) 6.025 3.208 ( -1.591 1.579 4.273) 4.826 3.261 ( -1.903 -4.841 -1.006) 5.298 3.291 ( 1.324 -6.525 2.269) 7.034 3.407 ( -0.768 -0.506 -8.699) 8.747 3.551 ( -1.032 2.664 4.636) 5.446 3.698 ( 4.122 2.763 -5.946) 7.745 4.317 ( 1.145 3.058 3.093) 4.498 4.363 ( 0.945 3.348 -1.452) 3.770 4.559 ( 0.480 3.975 1.759) 4.373 4.577 ( -2.971 2.630 -2.543) 4.712 4.699 ( -2.768 -1.519 3.472) 4.693 4.812 ( 2.491 -0.913 -3.623) 4.490 5.131 ( -9.895 -0.388 2.158) 10.135 5.302 ( 7.886 -0.195 0.031) 7.889 5.919 ( -3.125 1.497 2.390) 4.209 5.997 ( 4.935 3.741 1.422) 6.354 6.223 ( -1.548 0.805 6.411) 6.644 6.366 ( 0.866 -2.088 -5.452) 5.902 6.407 ( 0.216 0.544 0.395) 0.706 6.428 ( 0.123 1.530 -2.257) 2.729 6.777 ( 0.733 0.622 5.291) 5.377 6.874 ( -1.457 0.510 -6.345) 6.530 7.274 ( 2.308 1.618 2.987) 4.107 7.310 ( -0.036 1.859 -2.527) 3.137 7.760 ( -2.001 -2.410 1.864) 3.645 7.849 ( 1.957 -0.449 -4.409) 4.844 8.328 ( -4.256 -6.814 4.692) 9.304 8.454 ( 2.228 -5.777 -3.515) 7.120 9.313 ( 0.638 -2.022 1.933) 2.869 9.348 ( -0.772 -3.675 -2.882) 4.733 ======================= Grid point 277 (140/160) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 6.055 0.000 13.093) 14.425 1.598 ( -4.131 -0.000 -5.715) 7.052 1.821 ( 1.068 0.000 8.999) 9.062 1.850 ( 0.822 0.000 -8.971) 9.009 2.040 ( -3.521 -0.000 1.456) 3.811 2.075 ( -5.071 -0.000 -0.246) 5.077 2.188 ( -13.251 -0.000 -0.871) 13.279 2.430 ( -6.955 -0.000 -0.999) 7.027 2.801 ( 0.918 0.000 -2.569) 2.728 2.916 ( -1.032 -0.000 2.182) 2.413 2.939 ( 0.262 0.000 4.095) 4.103 3.003 ( -1.812 -0.000 3.409) 3.861 3.110 ( -0.182 -0.000 3.559) 3.563 3.191 ( 1.082 0.000 -4.859) 4.978 3.531 ( 1.730 0.000 3.773) 4.151 3.581 ( 1.857 0.000 -4.155) 4.551 3.927 ( 5.284 0.000 5.138) 7.370 3.973 ( 10.512 0.000 -0.066) 10.512 4.198 ( 1.766 0.000 1.063) 2.061 4.270 ( 1.807 0.000 -0.293) 1.831 4.288 ( -3.557 -0.000 -0.859) 3.660 4.376 ( 0.356 0.000 -2.197) 2.226 4.619 ( -1.679 -0.000 -2.459) 2.977 4.745 ( -1.082 -0.000 -6.804) 6.889 5.093 ( 0.042 0.000 2.280) 2.280 5.154 ( -3.492 -0.000 -0.908) 3.608 6.003 ( 4.770 0.000 3.631) 5.994 6.073 ( 2.858 0.000 1.964) 3.467 6.181 ( 0.459 0.000 0.991) 1.092 6.240 ( -2.567 -0.000 0.876) 2.712 6.426 ( -0.712 -0.000 -7.773) 7.805 6.513 ( -0.340 -0.000 2.082) 2.109 6.646 ( -0.687 -0.000 -5.392) 5.435 6.741 ( 0.763 0.000 -2.264) 2.389 7.313 ( 2.865 0.000 5.095) 5.845 7.495 ( 1.865 0.000 -3.854) 4.281 7.918 ( 4.157 0.000 -1.565) 4.442 8.026 ( 0.051 0.000 2.952) 2.953 8.459 ( -1.866 -0.000 4.315) 4.701 8.576 ( -3.405 -0.000 3.184) 4.662 9.278 ( -3.664 -0.000 -1.000) 3.798 9.322 ( -5.357 -0.000 -4.364) 6.909 ======================= Grid point 278 (141/160) ======================= q-point: ( 0.44 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 3.049 1.517 2.325) 4.124 1.703 ( 0.171 -2.460 8.550) 8.899 1.833 ( 1.769 1.209 -3.483) 4.089 1.860 ( 1.844 -3.875 2.382) 4.908 2.004 ( -6.822 -0.449 -0.800) 6.883 2.085 ( -0.357 -3.435 -1.548) 3.784 2.148 ( -8.308 -4.012 0.369) 9.234 2.326 ( -5.738 5.453 -1.541) 8.064 2.746 ( -2.665 6.400 2.003) 7.216 2.805 ( 3.699 4.626 -0.058) 5.923 2.960 ( -3.791 -0.658 -3.242) 5.031 3.017 ( -1.992 1.783 0.344) 2.695 3.084 ( -0.067 0.679 5.855) 5.895 3.249 ( -1.017 -3.739 -3.433) 5.177 3.531 ( 3.582 1.574 2.668) 4.735 3.590 ( 1.433 0.956 -1.471) 2.265 3.903 ( 5.299 5.263 5.464) 9.254 4.026 ( 6.738 2.865 -0.142) 7.323 4.254 ( 1.130 -4.471 1.154) 4.754 4.265 ( -3.714 -2.746 2.725) 5.363 4.326 ( -0.253 -2.612 -0.524) 2.676 4.394 ( 1.079 -2.499 -6.482) 7.030 4.625 ( 0.963 -0.989 -0.489) 1.465 4.748 ( -0.953 -1.822 -6.905) 7.204 5.074 ( 0.452 1.623 2.043) 2.647 5.154 ( -2.889 -2.071 -0.916) 3.671 6.032 ( 0.750 0.555 3.301) 3.430 6.106 ( 4.492 0.368 -0.016) 4.507 6.153 ( 0.038 1.289 2.931) 3.203 6.251 ( -0.416 -1.780 2.001) 2.710 6.412 ( -0.289 0.593 -5.404) 5.444 6.499 ( -4.233 0.438 -4.456) 6.161 6.660 ( 2.327 -4.006 1.577) 4.894 6.805 ( -1.250 -5.326 -3.632) 6.567 7.330 ( 3.139 0.867 4.460) 5.522 7.472 ( 1.188 3.237 -3.546) 4.946 7.915 ( 4.131 3.756 -0.933) 5.661 7.994 ( -1.756 3.131 1.573) 3.919 8.428 ( 0.794 3.256 4.967) 5.992 8.537 ( -3.473 1.825 1.989) 4.399 9.255 ( -2.507 -0.229 -1.525) 2.944 9.280 ( -4.206 -0.019 -3.168) 5.266 ======================= Grid point 279 (142/160) ======================= q-point: (-0.44 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 3.910 -2.391 4.423) 6.370 1.713 ( 1.698 0.646 5.079) 5.394 1.785 ( 0.790 4.401 -0.229) 4.478 1.952 ( -6.164 -0.559 -1.332) 6.331 2.029 ( 2.727 -8.396 0.195) 8.830 2.142 ( 1.661 1.993 2.477) 3.587 2.169 ( -0.785 -4.836 -0.737) 4.954 2.213 ( -6.510 0.326 -1.280) 6.643 2.631 ( 1.797 4.144 -1.936) 4.914 2.785 ( 0.262 1.403 -2.084) 2.526 2.891 ( -3.903 6.550 -4.156) 8.684 2.939 ( -4.410 -1.007 -2.697) 5.266 3.097 ( 0.444 -0.562 7.438) 7.473 3.266 ( -3.632 -0.509 -2.565) 4.476 3.534 ( 4.788 2.237 -0.519) 5.310 3.549 ( 1.017 4.649 0.136) 4.761 3.862 ( 4.077 4.210 5.843) 8.276 3.988 ( 2.344 4.506 -2.394) 5.615 4.295 ( -3.498 -2.941 4.441) 6.372 4.350 ( 1.014 -4.453 2.063) 5.011 4.388 ( 1.286 -4.463 -2.724) 5.385 4.446 ( -0.889 -3.896 -6.030) 7.234 4.661 ( 2.071 -1.570 2.381) 3.525 4.766 ( -1.182 -1.414 -4.856) 5.194 5.076 ( 4.143 -0.052 1.306) 4.344 5.163 ( -4.708 -1.966 -0.460) 5.122 6.004 ( -4.172 1.052 4.861) 6.492 6.076 ( 1.789 2.675 -5.004) 5.949 6.213 ( 5.471 -2.182 5.918) 8.350 6.284 ( -0.126 -1.922 2.305) 3.004 6.374 ( -1.089 2.371 -1.918) 3.238 6.475 ( -3.458 -1.925 -6.354) 7.486 6.784 ( 3.027 -6.016 2.032) 7.035 6.861 ( -1.967 -2.276 -1.038) 3.182 7.346 ( 0.736 -0.162 2.868) 2.965 7.412 ( 1.902 3.316 -3.336) 5.074 7.856 ( 2.570 5.263 0.424) 5.872 7.909 ( -1.728 4.458 -1.342) 4.966 8.373 ( 2.091 4.876 5.215) 7.439 8.466 ( -2.589 3.638 -0.476) 4.491 9.244 ( -0.893 -0.106 -1.723) 1.944 9.257 ( -2.696 -0.548 -1.496) 3.132 ======================= Grid point 280 (143/160) ======================= q-point: (-0.33 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -1.383 -1.958 3.996) 4.660 1.693 ( -0.646 5.369 0.069) 5.408 1.773 ( 10.665 -1.018 3.383) 11.235 1.882 ( -5.700 2.133 -4.889) 7.807 2.074 ( 7.059 5.096 2.893) 9.174 2.119 ( -8.958 4.030 -3.936) 10.582 2.240 ( 0.543 -9.690 5.446) 11.129 2.291 ( 3.568 -6.328 0.120) 7.266 2.637 ( -0.901 0.224 -5.001) 5.086 2.676 ( -3.463 -0.286 -8.045) 8.763 2.881 ( 2.491 -2.803 2.461) 4.485 2.939 ( -3.183 -3.043 -3.219) 5.454 3.102 ( -0.299 1.396 7.629) 7.761 3.220 ( -4.160 1.542 -1.458) 4.670 3.456 ( 0.751 6.304 -0.011) 6.348 3.518 ( 4.514 3.199 -4.457) 7.105 3.806 ( -0.361 5.033 6.031) 7.863 3.917 ( 1.708 4.542 -4.523) 6.634 4.328 ( -1.279 -2.268 4.117) 4.871 4.394 ( -0.509 -0.802 -1.650) 1.904 4.483 ( 1.626 -4.888 0.441) 5.170 4.518 ( -1.863 -5.343 -2.264) 6.095 4.701 ( 0.851 -0.859 3.118) 3.344 4.774 ( 0.951 -0.463 -3.560) 3.714 5.137 ( 3.428 -1.791 1.077) 4.015 5.149 ( -3.459 -1.573 0.230) 3.807 5.961 ( -5.716 0.034 5.619) 8.015 6.058 ( 3.541 1.089 -3.469) 5.075 6.260 ( -0.325 0.001 2.556) 2.577 6.330 ( 1.114 -0.359 -3.182) 3.390 6.346 ( 2.482 -1.398 6.523) 7.118 6.482 ( -3.126 -1.820 -5.520) 6.599 6.836 ( -0.371 2.357 2.565) 3.503 6.889 ( 1.235 -1.815 -2.171) 3.088 7.327 ( -2.846 0.163 3.744) 4.706 7.416 ( 3.060 -0.264 -3.845) 4.921 7.784 ( 1.432 4.769 1.954) 5.349 7.840 ( -0.542 1.253 -3.830) 4.066 8.303 ( 0.659 4.615 4.519) 6.493 8.379 ( -0.604 4.243 -2.804) 5.121 9.245 ( 0.861 -0.285 -0.649) 1.115 9.252 ( -1.910 -0.855 -1.039) 2.336 ======================= Grid point 281 (144/160) ======================= q-point: (-0.22 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.220 7.498 4.016) 8.509 1.621 ( -5.312 2.230 -3.926) 6.972 1.799 ( -3.928 0.578 -3.555) 5.329 1.889 ( 8.960 -0.992 -3.758) 9.767 1.995 ( -4.187 0.724 1.744) 4.593 2.052 ( 5.963 3.143 4.321) 8.007 2.384 ( 0.187 -5.424 2.404) 5.936 2.424 ( 4.028 -4.220 -2.347) 6.289 2.601 ( -8.380 -5.627 -0.910) 10.135 2.779 ( 5.982 -5.375 -5.676) 9.843 2.951 ( -0.724 -2.955 2.346) 3.842 2.997 ( 0.049 -3.992 -1.888) 4.417 3.075 ( -0.700 0.181 4.425) 4.484 3.164 ( -2.022 1.655 -1.169) 2.862 3.349 ( -0.158 5.917 0.412) 5.933 3.478 ( 2.089 3.789 -5.849) 7.275 3.700 ( -3.273 5.407 5.341) 8.275 3.846 ( 2.341 4.744 -5.060) 7.320 4.362 ( 0.385 -1.300 3.677) 3.919 4.399 ( 0.117 -0.412 -1.289) 1.358 4.567 ( 1.789 -2.811 2.993) 4.479 4.573 ( -2.495 -2.660 -2.105) 4.211 4.700 ( -1.937 0.542 2.234) 3.006 4.796 ( 3.337 -0.385 -2.983) 4.492 5.106 ( -8.653 -0.986 0.980) 8.764 5.246 ( 8.549 -2.671 1.041) 9.017 5.929 ( -5.827 -0.501 5.692) 8.161 6.076 ( 4.795 0.651 -0.019) 4.839 6.248 ( -0.894 0.272 2.106) 2.304 6.328 ( 0.965 0.055 -3.708) 3.832 6.414 ( 2.981 -1.338 5.905) 6.748 6.470 ( -3.534 -0.248 -5.213) 6.303 6.784 ( -1.238 2.309 3.679) 4.516 6.883 ( -0.202 1.630 -6.084) 6.302 7.332 ( -1.156 -1.510 2.832) 3.411 7.409 ( 2.055 3.014 -2.420) 4.378 7.731 ( -0.205 1.781 5.493) 5.778 7.843 ( 0.886 -1.074 -6.106) 6.263 8.236 ( -2.274 2.427 3.058) 4.518 8.331 ( 2.007 0.727 -3.664) 4.240 9.256 ( -1.782 -1.462 -1.524) 2.763 9.266 ( 1.891 -0.786 0.543) 2.119 ======================= Grid point 282 (145/160) ======================= q-point: (-0.11 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -1.019 5.669 5.748) 8.137 1.538 ( -4.497 1.496 -5.005) 6.892 1.764 ( -2.171 0.655 0.897) 2.439 1.969 ( 2.594 -2.139 -2.220) 4.029 2.001 ( -1.405 -3.859 2.772) 4.954 2.087 ( 5.810 -0.626 -0.189) 5.846 2.442 ( -1.094 -1.335 -0.753) 1.883 2.483 ( 2.211 -1.790 -1.789) 3.361 2.668 ( -6.936 -5.812 -2.488) 9.385 2.910 ( 5.924 -4.309 -0.009) 7.326 2.954 ( 1.489 1.721 2.183) 3.153 2.991 ( -1.752 4.094 -3.140) 5.449 3.138 ( -1.859 -6.389 -0.939) 6.720 3.180 ( -0.097 -4.582 -0.466) 4.607 3.261 ( -0.302 3.439 3.044) 4.603 3.416 ( 0.448 2.612 -4.816) 5.497 3.604 ( -1.567 3.546 4.231) 5.738 3.786 ( 3.829 3.653 -4.713) 7.086 4.372 ( 1.005 1.268 3.107) 3.504 4.409 ( 2.097 0.547 -0.622) 2.254 4.568 ( -3.153 0.297 -2.181) 3.846 4.601 ( -0.518 0.395 2.969) 3.040 4.680 ( -0.746 0.345 2.956) 3.068 4.817 ( 1.924 -0.091 -3.102) 3.651 5.057 ( -8.159 -0.511 0.993) 8.235 5.345 ( 6.767 -1.346 1.082) 6.984 5.903 ( -3.739 -0.299 4.072) 5.536 6.088 ( 4.406 2.238 2.788) 5.674 6.244 ( 0.050 0.874 3.721) 3.823 6.341 ( 1.802 -1.062 -4.217) 4.707 6.410 ( -3.385 1.311 -2.520) 4.419 6.455 ( 1.208 0.503 0.671) 1.470 6.768 ( -1.239 -1.098 4.299) 4.607 6.850 ( -1.717 -0.001 -7.602) 7.794 7.343 ( 1.659 1.342 0.533) 2.199 7.354 ( 1.926 3.812 0.547) 4.306 7.724 ( -1.286 -0.644 4.936) 5.141 7.855 ( 1.391 -0.093 -5.896) 6.059 8.215 ( -3.381 -2.483 3.948) 5.760 8.375 ( 1.862 -4.016 -4.044) 5.996 9.275 ( -1.671 -2.292 -2.159) 3.565 9.299 ( 1.313 -1.446 0.815) 2.117 ======================= Grid point 287 (146/160) ======================= q-point: (-0.56 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -2.602 -0.000 5.366) 5.963 1.703 ( 4.632 0.000 0.526) 4.662 1.838 ( -1.312 -0.000 1.487) 1.983 1.846 ( 1.377 0.000 3.623) 3.875 1.940 ( -7.290 -0.000 -0.393) 7.301 2.021 ( -1.399 -0.000 -6.139) 6.296 2.118 ( 3.975 0.000 2.501) 4.697 2.328 ( -6.168 -0.000 -3.648) 7.166 2.764 ( -2.844 -0.000 2.461) 3.761 2.883 ( -4.277 -0.000 -3.783) 5.710 2.963 ( 4.630 0.000 2.616) 5.318 3.021 ( -0.450 -0.000 7.228) 7.242 3.093 ( -3.205 -0.000 4.428) 5.466 3.193 ( 0.140 0.000 -2.060) 2.065 3.565 ( 1.798 0.000 0.880) 2.002 3.606 ( 2.546 0.000 -3.128) 4.033 3.997 ( 2.441 0.000 6.665) 7.098 4.109 ( 7.674 0.000 -0.548) 7.694 4.212 ( -5.930 -0.000 2.520) 6.443 4.222 ( 1.050 0.000 1.945) 2.210 4.293 ( 1.501 0.000 -1.569) 2.172 4.369 ( 0.241 0.000 -7.663) 7.667 4.622 ( 1.369 0.000 -1.381) 1.945 4.713 ( -1.432 -0.000 -7.995) 8.122 5.086 ( -1.105 -0.000 2.467) 2.703 5.125 ( 0.069 0.000 -1.855) 1.857 6.068 ( 2.407 0.000 2.774) 3.673 6.131 ( 3.858 0.000 2.530) 4.614 6.171 ( -1.838 -0.000 1.816) 2.583 6.226 ( -0.188 -0.000 3.950) 3.954 6.407 ( 0.991 0.000 -7.599) 7.664 6.469 ( -5.364 -0.000 -4.282) 6.864 6.642 ( 1.226 0.000 0.302) 1.262 6.727 ( -1.665 -0.000 -3.025) 3.453 7.369 ( 2.812 0.000 5.125) 5.846 7.501 ( -0.227 -0.000 -4.000) 4.007 7.987 ( 5.347 0.000 -1.956) 5.694 8.006 ( -3.239 -0.000 2.393) 4.028 8.476 ( 2.890 0.000 4.135) 5.045 8.528 ( -3.612 -0.000 2.869) 4.613 9.235 ( -1.596 -0.000 -1.393) 2.119 9.245 ( -3.796 -0.000 -2.279) 4.428 ======================= Grid point 288 (147/160) ======================= q-point: (-0.44 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -2.391 -1.793 9.099) 9.577 1.696 ( -6.705 -1.173 -3.361) 7.591 1.842 ( 3.160 1.134 5.185) 6.177 1.910 ( 2.727 -2.651 3.175) 4.954 1.932 ( 0.720 -3.426 -1.123) 3.677 2.054 ( -0.326 -4.567 -8.263) 9.447 2.153 ( 5.008 0.763 3.073) 5.925 2.256 ( -2.554 2.620 -4.472) 5.778 2.732 ( 0.353 3.154 5.088) 5.997 2.829 ( -0.964 2.245 -1.915) 3.104 2.932 ( 0.131 4.615 2.155) 5.095 2.982 ( -1.480 5.087 -3.356) 6.271 3.075 ( -3.434 -1.313 9.378) 10.073 3.215 ( -2.458 -1.543 -1.489) 3.262 3.580 ( 2.086 -0.123 -0.210) 2.100 3.615 ( 2.675 1.397 -3.038) 4.282 3.965 ( 0.885 4.383 6.623) 7.991 4.089 ( 1.809 5.167 -5.088) 7.474 4.221 ( -1.978 -3.279 7.140) 8.102 4.275 ( 1.453 -4.498 1.715) 5.028 4.330 ( 0.555 -2.478 -2.184) 3.350 4.387 ( 0.379 -2.421 -8.613) 8.955 4.644 ( 1.033 -1.552 0.576) 1.951 4.714 ( -1.772 -2.155 -6.940) 7.480 5.089 ( 0.925 -0.725 1.881) 2.218 5.128 ( 0.032 0.034 -1.813) 1.813 6.033 ( -1.667 3.649 4.657) 6.147 6.122 ( 0.295 2.146 -4.183) 4.710 6.216 ( 4.315 -3.269 6.878) 8.753 6.250 ( -0.644 -1.497 3.467) 3.831 6.395 ( -4.944 2.070 -4.445) 6.963 6.421 ( 0.517 -0.878 -6.300) 6.381 6.700 ( 2.401 -5.016 2.719) 6.190 6.766 ( -2.682 -5.196 -3.520) 6.825 7.376 ( 1.332 1.586 4.418) 4.879 7.467 ( -0.902 2.419 -4.020) 4.778 7.947 ( -2.844 3.660 1.658) 4.922 7.988 ( 4.147 3.934 -2.343) 6.178 8.468 ( 1.002 3.441 4.209) 5.528 8.500 ( 0.173 1.656 1.198) 2.051 9.226 ( -2.281 -0.635 -0.961) 2.555 9.231 ( -0.332 -0.465 -0.913) 1.077 ======================= Grid point 289 (148/160) ======================= q-point: (-0.33 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -6.614 -2.473 6.598) 9.664 1.686 ( -5.178 -2.703 -0.227) 5.846 1.865 ( 8.382 1.594 5.097) 9.939 1.904 ( 0.992 2.898 -3.221) 4.445 2.059 ( -2.212 -6.635 -0.055) 6.995 2.108 ( 1.371 -1.972 -2.248) 3.290 2.202 ( 4.414 -3.686 -1.499) 5.942 2.231 ( 5.512 1.000 -0.287) 5.610 2.678 ( 1.276 4.765 0.771) 4.993 2.742 ( 0.177 8.427 -6.280) 10.511 2.842 ( -4.307 -0.423 1.914) 4.732 2.919 ( 2.286 1.059 -1.225) 2.801 3.098 ( -3.124 -2.191 11.215) 11.846 3.190 ( -5.192 0.727 0.051) 5.243 3.563 ( 1.033 4.070 -4.030) 5.820 3.599 ( 4.431 2.494 -3.052) 5.930 3.885 ( -2.851 4.777 4.257) 7.005 4.004 ( 0.871 4.677 -4.308) 6.418 4.273 ( -1.162 -3.106 6.461) 7.262 4.371 ( 1.335 -2.911 0.085) 3.203 4.392 ( 0.140 -5.304 -1.648) 5.556 4.426 ( 0.143 -3.464 -5.408) 6.424 4.686 ( 0.493 -1.805 1.891) 2.661 4.743 ( -0.388 -2.905 -4.744) 5.576 5.097 ( -3.369 0.663 -0.671) 3.499 5.150 ( 4.915 -2.227 0.777) 5.452 5.958 ( -3.474 2.803 6.073) 7.537 6.097 ( 2.456 1.149 -4.023) 4.852 6.261 ( -1.292 0.006 2.958) 3.227 6.307 ( 1.470 -2.426 1.962) 3.450 6.336 ( -2.644 -1.019 0.578) 2.892 6.438 ( 1.015 -0.687 -5.087) 5.233 6.818 ( -2.414 -3.668 -0.466) 4.416 6.830 ( 1.577 -5.241 1.194) 5.602 7.334 ( -2.774 2.857 2.600) 4.756 7.431 ( 1.193 0.460 -3.709) 3.923 7.861 ( -1.835 3.500 -0.161) 3.955 7.918 ( 3.272 6.507 -2.130) 7.589 8.396 ( -0.984 4.828 3.615) 6.111 8.459 ( 2.480 4.404 -0.348) 5.067 9.226 ( -1.063 -0.626 -0.141) 1.241 9.243 ( 1.090 -0.715 -0.128) 1.309 ======================= Grid point 290 (149/160) ======================= q-point: (-0.22 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -8.638 -2.281 0.441) 8.945 1.672 ( -1.646 2.206 3.515) 4.464 1.818 ( -1.862 4.764 -6.697) 8.427 1.937 ( 8.838 -1.023 3.171) 9.445 2.020 ( -2.025 4.343 -3.477) 5.920 2.216 ( 9.869 5.151 3.902) 11.796 2.263 ( 1.492 -8.744 3.230) 9.441 2.345 ( 2.731 -7.173 -4.374) 8.834 2.521 ( -5.258 5.132 -3.600) 8.182 2.746 ( 6.800 -2.704 -1.744) 7.523 2.850 ( -3.787 -3.693 -0.336) 5.300 2.959 ( 2.864 -2.463 1.154) 3.950 3.104 ( -1.405 1.434 8.602) 8.833 3.137 ( -6.175 -0.482 1.892) 6.476 3.471 ( 1.521 6.549 -5.166) 8.479 3.565 ( 2.941 4.326 -5.045) 7.267 3.766 ( -5.416 5.218 2.788) 8.020 3.927 ( -0.286 4.048 -3.551) 5.392 4.326 ( -0.294 -2.884 5.363) 6.096 4.395 ( 1.242 -0.439 -1.511) 2.005 4.491 ( -0.716 -5.158 -0.202) 5.212 4.508 ( 1.250 -4.758 -1.120) 5.046 4.703 ( -0.216 0.012 0.752) 0.782 4.795 ( 2.063 -2.148 -3.090) 4.291 5.044 ( -5.999 0.727 -0.091) 6.043 5.250 ( 6.710 -3.502 1.511) 7.718 5.902 ( -4.098 1.127 6.609) 7.858 6.115 ( 4.803 -0.237 -1.574) 5.060 6.242 ( -2.371 0.261 2.188) 3.237 6.314 ( -1.498 -1.469 -4.102) 4.607 6.401 ( 1.551 -2.823 6.325) 7.098 6.441 ( -0.567 0.185 -4.803) 4.840 6.808 ( -2.956 1.379 1.755) 3.704 6.901 ( 0.328 -0.182 -2.821) 2.846 7.288 ( -3.087 -1.097 3.747) 4.978 7.444 ( 1.394 -0.284 -3.736) 3.998 7.806 ( 0.556 3.808 0.647) 3.902 7.834 ( 1.285 2.394 -3.671) 4.567 8.301 ( -1.054 5.292 2.667) 6.019 8.392 ( 2.097 4.515 -1.429) 5.179 9.228 ( -0.867 -0.454 -0.365) 1.044 9.269 ( 2.088 -0.678 0.572) 2.268 ======================= Grid point 291 (150/160) ======================= q-point: (-0.11 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -7.116 1.710 -3.657) 8.182 1.579 ( -0.459 6.715 2.388) 7.141 1.738 ( -2.678 0.486 -5.349) 6.002 1.954 ( 0.051 0.952 1.782) 2.021 2.010 ( 5.283 0.248 -2.831) 5.999 2.186 ( 8.999 5.117 6.844) 12.410 2.401 ( 1.739 -3.863 -0.833) 4.318 2.445 ( -9.415 -3.720 1.056) 10.179 2.497 ( 4.425 -5.526 -6.252) 9.445 2.870 ( 5.234 -5.280 -1.376) 7.561 2.917 ( -1.583 -5.456 -0.099) 5.682 3.014 ( 0.128 -1.007 2.858) 3.033 3.076 ( -0.257 0.441 4.196) 4.227 3.119 ( -2.863 -1.259 1.498) 3.468 3.359 ( 1.777 6.545 -4.896) 8.365 3.483 ( 0.211 5.140 -4.849) 7.069 3.652 ( -3.940 3.578 3.519) 6.380 3.856 ( -0.101 3.002 -3.985) 4.990 4.371 ( -0.499 -1.687 3.850) 4.233 4.420 ( 2.717 -0.804 -0.317) 2.852 4.544 ( -1.566 -1.774 -0.742) 2.480 4.580 ( 0.213 -2.047 0.935) 2.261 4.697 ( 1.137 0.697 1.608) 2.089 4.825 ( 1.191 -0.134 -3.049) 3.276 4.997 ( -5.443 -0.376 0.424) 5.473 5.356 ( 5.304 -2.649 1.979) 6.250 5.875 ( -2.872 -0.424 5.659) 6.360 6.152 ( 4.802 0.905 2.692) 5.579 6.237 ( -1.932 -1.327 1.907) 3.022 6.336 ( 1.764 -1.398 -5.022) 5.503 6.405 ( -2.863 1.768 -2.755) 4.349 6.452 ( -0.243 -1.644 3.135) 3.548 6.757 ( -2.815 1.425 3.102) 4.424 6.856 ( -0.901 2.618 -6.699) 7.248 7.330 ( -0.137 -3.323 2.748) 4.314 7.431 ( 0.955 2.418 -1.967) 3.260 7.740 ( -0.059 2.947 5.138) 5.924 7.845 ( 1.032 -1.351 -6.450) 6.670 8.214 ( -0.877 3.515 2.271) 4.275 8.352 ( 1.285 0.766 -2.644) 3.038 9.232 ( -0.976 -0.982 -1.213) 1.841 9.295 ( 1.730 -0.545 0.737) 1.958 ======================= Grid point 297 (151/160) ======================= q-point: (-0.44 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -4.182 -0.000 12.473) 13.156 1.595 ( -13.407 -0.000 0.195) 13.409 1.888 ( 2.497 0.000 2.262) 3.370 1.917 ( 1.978 0.000 -1.179) 2.303 1.926 ( 10.135 0.000 2.687) 10.486 2.013 ( 3.195 0.000 -9.529) 10.050 2.236 ( 9.636 0.000 3.606) 10.289 2.241 ( -3.313 -0.000 -6.916) 7.669 2.765 ( 1.745 0.000 6.483) 6.714 2.816 ( -4.507 -0.000 0.343) 4.520 3.006 ( -3.594 -0.000 8.015) 8.784 3.036 ( 4.077 0.000 2.117) 4.594 3.041 ( -4.059 -0.000 0.539) 4.094 3.185 ( -0.952 -0.000 0.025) 0.953 3.578 ( -0.211 -0.000 -1.573) 1.587 3.638 ( 2.707 0.000 -4.671) 5.399 4.019 ( -1.566 -0.000 5.546) 5.763 4.114 ( -5.610 -0.000 -3.147) 6.432 4.214 ( 4.247 0.000 4.042) 5.863 4.245 ( 1.428 0.000 2.567) 2.937 4.315 ( 2.452 0.000 -2.327) 3.381 4.349 ( -0.736 -0.000 -9.252) 9.281 4.635 ( 0.482 0.000 0.243) 0.539 4.669 ( -2.123 -0.000 -7.433) 7.730 5.088 ( 1.294 0.000 1.801) 2.217 5.137 ( 1.417 0.000 -2.373) 2.764 6.072 ( -2.694 -0.000 3.404) 4.341 6.128 ( -2.546 -0.000 -2.541) 3.597 6.203 ( 2.725 0.000 8.601) 9.022 6.240 ( 1.171 0.000 0.989) 1.533 6.361 ( -6.535 -0.000 -6.053) 8.907 6.439 ( 4.627 0.000 -3.341) 5.707 6.672 ( 1.955 0.000 2.300) 3.019 6.686 ( -2.761 -0.000 -3.181) 4.212 7.406 ( 0.474 0.000 4.896) 4.919 7.469 ( -2.775 -0.000 -4.285) 5.105 7.953 ( -4.054 -0.000 1.455) 4.308 8.059 ( 4.532 0.000 -2.782) 5.317 8.488 ( -2.192 -0.000 2.187) 3.096 8.549 ( 5.517 0.000 1.908) 5.838 9.207 ( -0.834 -0.000 0.681) 1.076 9.228 ( 0.872 0.000 -0.150) 0.885 ======================= Grid point 298 (152/160) ======================= q-point: (-0.33 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -10.110 -0.644 7.006) 12.317 1.573 ( -6.191 -5.085 9.822) 12.675 1.913 ( 1.160 -0.692 -0.446) 1.422 1.944 ( 2.542 -1.200 -2.267) 3.611 2.002 ( 9.076 -0.224 -2.030) 9.303 2.082 ( 5.610 -3.371 -4.315) 7.840 2.213 ( 3.150 0.783 -3.071) 4.469 2.290 ( 7.853 1.553 0.163) 8.007 2.765 ( -1.247 2.152 3.996) 4.707 2.793 ( 0.150 0.270 3.062) 3.078 2.927 ( -0.405 8.494 -3.607) 9.237 2.972 ( -3.211 2.316 5.224) 6.555 3.044 ( -0.509 -0.082 8.702) 8.717 3.176 ( -2.745 0.454 0.580) 2.842 3.581 ( -1.401 -0.645 -3.101) 3.463 3.655 ( 3.426 0.347 -5.286) 6.309 3.943 ( -4.838 4.832 1.975) 7.117 4.060 ( -3.965 2.273 -3.474) 5.741 4.243 ( 2.252 -0.753 4.909) 5.453 4.299 ( 1.091 -4.426 0.522) 4.588 4.331 ( 0.151 -1.880 -3.348) 3.842 4.381 ( 1.496 -2.539 -5.795) 6.501 4.657 ( 0.569 -1.797 1.389) 2.342 4.673 ( -1.335 -2.813 -5.502) 6.322 5.107 ( 0.944 1.010 -0.611) 1.512 5.145 ( 2.532 -1.319 -0.369) 2.878 6.003 ( -3.578 3.818 5.331) 7.470 6.112 ( -1.401 -0.121 -3.026) 3.336 6.233 ( -0.763 -1.350 3.550) 3.873 6.286 ( -1.903 -2.054 1.074) 2.999 6.298 ( -0.480 0.459 -1.500) 1.640 6.461 ( 4.103 1.053 -2.127) 4.741 6.716 ( -2.793 -5.077 -3.187) 6.613 6.739 ( 1.749 -5.299 2.610) 6.160 7.378 ( -2.261 3.233 2.980) 4.944 7.435 ( -1.945 0.559 -3.145) 3.740 7.899 ( -3.225 2.683 0.486) 4.223 8.044 ( 3.184 4.456 -3.085) 6.286 8.455 ( -0.854 2.596 1.995) 3.384 8.560 ( 4.824 3.423 0.337) 5.925 9.216 ( 1.010 -0.504 1.724) 2.060 9.243 ( 1.968 -0.506 0.817) 2.190 ======================= Grid point 299 (153/160) ======================= q-point: (-0.22 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -9.745 -2.728 4.638) 11.131 1.640 ( -2.682 -4.097 9.414) 10.611 1.887 ( -0.312 3.739 -6.904) 7.857 1.994 ( 1.531 -1.463 3.699) 4.262 2.064 ( 8.239 0.641 -4.165) 9.254 2.157 ( 4.050 -2.784 -0.466) 4.936 2.260 ( 3.799 -1.802 -4.007) 5.808 2.345 ( 9.085 -1.012 0.193) 9.144 2.656 ( 0.533 10.251 -4.044) 11.032 2.743 ( -4.159 0.563 -1.153) 4.352 2.852 ( 5.872 2.843 5.925) 8.813 2.934 ( -2.777 -0.923 3.901) 4.876 3.070 ( -1.048 -1.983 8.879) 9.158 3.132 ( -3.241 1.606 3.439) 4.991 3.549 ( -1.978 2.516 -5.585) 6.437 3.652 ( 3.701 2.885 -6.239) 7.807 3.810 ( -7.025 5.117 -0.552) 8.709 3.972 ( -4.603 3.420 -2.901) 6.427 4.286 ( 0.755 -2.113 4.934) 5.421 4.386 ( 0.946 -2.799 -0.414) 2.983 4.393 ( 0.007 -5.244 -0.487) 5.267 4.434 ( 2.409 -3.778 -4.781) 6.553 4.686 ( -0.410 -1.680 -1.476) 2.274 4.743 ( 1.931 -4.370 -0.707) 4.830 5.051 ( -2.591 3.420 -1.419) 4.519 5.230 ( 5.336 -3.867 1.143) 6.688 5.919 ( -3.882 3.099 6.994) 8.578 6.118 ( -0.335 -1.798 -2.669) 3.236 6.234 ( -2.034 0.836 2.329) 3.203 6.266 ( -0.291 -1.796 -4.214) 4.590 6.362 ( 0.669 -2.896 4.891) 5.723 6.459 ( 1.779 1.477 -2.291) 3.255 6.775 ( -2.449 -3.121 -1.080) 4.112 6.853 ( 0.604 -5.234 1.137) 5.390 7.287 ( -3.687 3.527 2.073) 5.507 7.425 ( -1.000 -1.005 -3.328) 3.617 7.833 ( -1.535 2.274 -1.300) 3.036 7.957 ( 2.010 6.822 -2.595) 7.571 8.390 ( 0.320 4.712 1.663) 5.007 8.505 ( 2.948 5.864 -0.232) 6.568 9.229 ( 1.191 0.334 1.485) 1.933 9.275 ( 2.959 -0.730 1.333) 3.326 ======================= Grid point 300 (154/160) ======================= q-point: (-0.11 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -7.299 -2.864 1.543) 7.991 1.663 ( -0.701 1.448 5.532) 5.761 1.776 ( -1.492 6.253 -8.515) 10.669 2.002 ( 1.327 2.371 2.687) 3.821 2.075 ( 6.845 3.002 -3.857) 8.411 2.246 ( -6.693 -5.203 -7.242) 11.150 2.306 ( 3.256 -2.980 1.551) 4.678 2.409 ( 9.435 2.658 4.784) 10.908 2.550 ( 7.144 4.201 -1.277) 8.386 2.754 ( -3.631 -5.916 -0.023) 6.942 2.883 ( 6.027 -1.333 1.312) 6.310 2.957 ( -4.783 -3.482 6.391) 8.709 3.083 ( -0.775 0.410 0.462) 0.991 3.117 ( 1.880 0.182 7.665) 7.894 3.463 ( -1.472 4.712 -5.921) 7.709 3.584 ( 1.171 6.100 -7.524) 9.757 3.677 ( -6.400 3.628 0.410) 7.368 3.879 ( -5.064 2.324 -2.726) 6.203 4.332 ( -0.649 -2.375 4.186) 4.856 4.426 ( 2.504 -1.024 0.476) 2.747 4.473 ( -1.673 -4.208 -0.111) 4.530 4.538 ( 3.266 -4.687 -2.372) 6.186 4.707 ( 0.728 -0.734 -0.777) 1.293 4.819 ( 1.959 -1.705 -1.998) 3.277 4.976 ( -2.620 1.782 0.023) 3.169 5.338 ( 4.253 -3.561 2.056) 5.916 5.863 ( -2.815 0.815 6.694) 7.308 6.156 ( -2.397 -3.466 -0.989) 4.329 6.218 ( 1.391 1.079 3.661) 4.062 6.308 ( 2.597 -2.460 -5.737) 6.761 6.407 ( -2.248 -1.713 6.035) 6.664 6.430 ( -0.044 1.618 -3.900) 4.223 6.770 ( -2.791 1.338 2.072) 3.725 6.891 ( 0.002 1.193 -4.058) 4.230 7.258 ( -1.998 -2.922 4.066) 5.391 7.436 ( -1.472 -1.046 -3.453) 3.897 7.802 ( -0.322 0.944 -1.813) 2.069 7.854 ( 1.369 4.800 -2.385) 5.533 8.304 ( 1.261 5.704 1.114) 5.947 8.416 ( 1.179 5.379 -0.555) 5.535 9.227 ( 0.741 0.600 0.765) 1.223 9.306 ( 2.472 -0.125 0.863) 2.621 ======================= Grid point 307 (155/160) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -10.157 -0.000 8.843) 13.467 1.485 ( -4.395 -0.000 16.043) 16.634 1.898 ( -0.163 -0.000 -5.798) 5.801 1.953 ( 2.712 0.000 -2.325) 3.573 2.087 ( 7.283 0.000 -3.839) 8.233 2.097 ( 12.376 0.000 -1.966) 12.531 2.232 ( 4.659 0.000 -5.515) 7.219 2.391 ( 9.484 0.000 3.272) 10.032 2.743 ( -6.383 -0.000 6.791) 9.320 2.831 ( 4.593 0.000 7.368) 8.682 2.934 ( -8.521 -0.000 11.707) 14.479 3.011 ( 0.893 0.000 -4.150) 4.245 3.085 ( 1.816 0.000 0.521) 1.889 3.165 ( -1.800 -0.000 0.962) 2.041 3.548 ( -3.295 -0.000 -2.563) 4.175 3.663 ( 2.248 0.000 -7.153) 7.498 3.968 ( -5.976 -0.000 0.512) 5.997 4.013 ( -7.114 -0.000 -2.754) 7.629 4.263 ( 1.618 0.000 0.161) 1.626 4.267 ( 0.849 0.000 1.246) 1.507 4.312 ( -1.273 -0.000 -9.149) 9.237 4.360 ( 2.636 0.000 0.271) 2.650 4.642 ( 1.852 0.000 -5.940) 6.221 4.647 ( 1.151 0.000 2.561) 2.808 5.138 ( 4.884 0.000 0.902) 4.966 5.140 ( -0.662 -0.000 -2.242) 2.338 6.014 ( -5.860 -0.000 4.640) 7.474 6.074 ( -4.463 -0.000 -3.006) 5.381 6.233 ( -1.238 -0.000 8.698) 8.786 6.259 ( 1.459 0.000 -2.782) 3.141 6.295 ( -0.016 -0.000 -2.581) 2.581 6.511 ( 4.685 0.000 0.108) 4.687 6.639 ( -2.452 -0.000 -3.187) 4.022 6.699 ( 0.868 0.000 1.712) 1.920 7.402 ( -2.066 -0.000 4.768) 5.197 7.410 ( -3.571 -0.000 -4.175) 5.494 7.899 ( -3.237 -0.000 0.416) 3.264 8.096 ( 0.983 0.000 -3.798) 3.923 8.481 ( 0.897 0.000 1.731) 1.949 8.629 ( 4.598 0.000 -1.398) 4.806 9.233 ( 4.024 0.000 3.269) 5.184 9.258 ( 2.824 0.000 1.874) 3.389 ======================= Grid point 308 (156/160) ======================= q-point: (-0.22 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -7.217 -0.104 11.178) 13.306 1.537 ( -3.039 -5.862 16.577) 17.844 1.902 ( 0.117 -0.947 -7.959) 8.016 1.965 ( 1.164 0.154 -5.386) 5.513 2.150 ( 8.426 -1.080 -1.512) 8.628 2.177 ( 9.331 0.677 -2.468) 9.676 2.301 ( 8.618 -1.248 -1.363) 8.814 2.415 ( 8.166 3.253 0.785) 8.825 2.692 ( -6.838 0.852 6.246) 9.301 2.838 ( -1.933 3.573 3.269) 5.214 2.916 ( -0.797 4.161 3.928) 5.777 2.923 ( 0.124 0.901 4.381) 4.475 3.096 ( 3.986 1.230 4.928) 6.456 3.133 ( -2.899 1.399 1.450) 3.531 3.526 ( -5.176 -0.717 -3.649) 6.374 3.686 ( 2.335 -0.724 -8.227) 8.583 3.846 ( -7.643 5.367 -2.183) 9.591 3.965 ( -7.588 1.007 -3.606) 8.462 4.273 ( 0.276 -0.596 1.033) 1.225 4.308 ( 0.255 -4.226 -2.249) 4.794 4.321 ( 0.094 -2.726 -2.678) 3.823 4.399 ( 0.500 -2.806 -2.448) 3.757 4.655 ( 1.539 -0.627 -1.340) 2.135 4.707 ( 5.752 -2.921 0.510) 6.471 5.098 ( -1.697 3.142 -1.937) 4.063 5.208 ( 5.462 -2.875 0.573) 6.199 5.946 ( -5.889 2.587 6.313) 9.012 6.051 ( -5.659 -1.983 -2.811) 6.622 6.233 ( 0.049 -0.141 4.573) 4.575 6.262 ( 2.155 0.378 -4.085) 4.634 6.324 ( 0.508 -2.309 2.979) 3.803 6.511 ( 2.314 2.638 -0.281) 3.521 6.674 ( -1.903 -5.199 -3.148) 6.369 6.759 ( 0.180 -5.327 1.557) 5.553 7.335 ( -3.162 3.900 0.781) 5.081 7.399 ( -2.391 -0.293 -0.521) 2.464 7.859 ( -2.128 1.998 -0.369) 2.943 8.057 ( -0.639 3.859 -3.962) 5.568 8.469 ( 2.146 2.867 1.529) 3.894 8.619 ( 2.898 4.089 -1.768) 5.314 9.262 ( 3.997 1.044 3.078) 5.152 9.294 ( 4.572 -0.587 2.423) 5.208 ======================= Grid point 309 (157/160) ======================= q-point: (-0.11 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -5.411 -2.012 9.481) 11.101 1.636 ( -1.215 -4.365 13.400) 14.145 1.873 ( 0.860 5.125 -9.557) 10.879 1.976 ( -2.979 -3.526 -3.767) 5.958 2.196 ( 8.236 4.181 -3.135) 9.754 2.224 ( 5.156 1.328 -3.088) 6.155 2.305 ( 3.991 2.552 -1.336) 4.922 2.494 ( 10.308 -2.048 2.184) 10.734 2.648 ( -5.151 -1.836 2.546) 6.032 2.717 ( 4.608 7.757 -2.809) 9.450 2.858 ( -7.036 -2.403 8.488) 11.284 2.943 ( 2.745 2.654 5.930) 7.053 3.099 ( 2.017 0.605 1.142) 2.395 3.136 ( 3.879 -0.972 8.365) 9.271 3.476 ( -6.475 0.919 -4.715) 8.062 3.666 ( -1.931 3.688 -8.220) 9.213 3.699 ( -4.704 4.264 -4.577) 7.827 3.866 ( -8.160 2.357 -3.180) 9.069 4.293 ( -1.010 -1.763 2.050) 2.886 4.373 ( -2.451 -4.055 0.155) 4.741 4.410 ( 1.979 -4.928 -0.213) 5.314 4.470 ( 3.227 -4.732 -4.677) 7.395 4.684 ( 1.047 -1.638 -0.763) 2.088 4.806 ( 5.885 -2.331 0.087) 6.330 5.017 ( -1.004 3.803 -1.072) 4.077 5.306 ( 4.041 -3.554 1.029) 5.479 5.869 ( -4.556 1.802 7.118) 8.641 6.056 ( -5.703 -3.580 -1.529) 6.906 6.244 ( 0.951 -0.032 4.206) 4.312 6.292 ( 4.183 -1.378 -5.017) 6.676 6.367 ( -0.490 -2.118 3.753) 4.337 6.466 ( -0.280 2.932 -1.777) 3.440 6.739 ( -2.347 -3.109 -0.371) 3.913 6.857 ( 0.102 -4.727 -0.522) 4.757 7.247 ( -1.965 2.977 2.132) 4.156 7.391 ( -2.517 -1.177 -2.513) 3.747 7.812 ( -0.659 1.546 -1.699) 2.390 7.958 ( -1.160 5.755 -3.331) 6.750 8.418 ( 2.778 5.097 1.034) 5.897 8.536 ( 1.189 6.588 -0.731) 6.734 9.264 ( 2.738 1.795 2.760) 4.281 9.332 ( 4.096 0.394 1.227) 4.294 ======================= Grid point 317 (158/160) ======================= q-point: (-0.22 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -2.673 -0.000 17.103) 17.311 1.468 ( -2.409 -0.000 18.683) 18.838 1.886 ( 1.401 0.000 -11.153) 11.240 1.977 ( 1.385 0.000 -5.079) 5.264 2.188 ( 7.471 0.000 -3.270) 8.155 2.270 ( 10.389 0.000 -2.442) 10.672 2.347 ( 10.203 0.000 0.129) 10.203 2.508 ( 4.589 0.000 2.489) 5.220 2.673 ( -3.712 -0.000 11.296) 11.890 2.822 ( -8.776 -0.000 9.148) 12.677 2.891 ( -0.937 -0.000 7.488) 7.546 3.042 ( 3.630 0.000 -0.548) 3.672 3.102 ( 2.370 0.000 0.129) 2.373 3.144 ( -1.006 -0.000 -2.366) 2.571 3.470 ( -6.407 -0.000 -1.345) 6.547 3.677 ( 1.921 0.000 -8.774) 8.982 3.850 ( -9.051 -0.000 -3.849) 9.835 3.894 ( -7.764 -0.000 -3.571) 8.546 4.262 ( -0.959 -0.000 -2.018) 2.234 4.276 ( 0.011 0.000 0.830) 0.830 4.289 ( 0.599 0.000 -9.001) 9.021 4.348 ( -3.936 -0.000 -0.581) 3.978 4.684 ( 2.786 0.000 4.223) 5.059 4.736 ( 11.150 0.000 -2.930) 11.528 5.111 ( -2.149 -0.000 -2.023) 2.951 5.225 ( 5.937 0.000 0.209) 5.941 5.923 ( -7.689 -0.000 6.222) 9.891 5.984 ( -6.066 -0.000 -2.391) 6.520 6.251 ( 1.410 0.000 8.036) 8.159 6.274 ( 1.869 0.000 -4.739) 5.094 6.307 ( 0.987 0.000 1.253) 1.595 6.561 ( 1.530 0.000 0.983) 1.818 6.606 ( -0.778 -0.000 -3.997) 4.072 6.696 ( -1.679 -0.000 0.072) 1.681 7.360 ( -1.684 -0.000 -3.382) 3.778 7.372 ( -3.004 -0.000 5.112) 5.929 7.862 ( -1.642 -0.000 -0.229) 1.658 8.072 ( -2.817 -0.000 -4.499) 5.309 8.517 ( 3.165 0.000 1.611) 3.551 8.670 ( 1.465 0.000 -2.807) 3.166 9.313 ( 3.544 0.000 3.860) 5.241 9.334 ( 8.148 0.000 2.074) 8.408 ======================= Grid point 318 (159/160) ======================= q-point: (-0.11 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -0.763 1.792 17.507) 17.615 1.544 ( -1.302 -5.960 19.389) 20.326 1.901 ( 2.204 -1.506 -11.324) 11.634 1.953 ( -0.473 2.964 -8.351) 8.874 2.256 ( 7.550 -1.353 -3.025) 8.245 2.312 ( 6.310 1.921 -1.292) 6.721 2.419 ( 5.747 2.453 2.994) 6.929 2.539 ( 8.755 -0.623 1.467) 8.899 2.620 ( -3.464 3.058 6.897) 8.302 2.756 ( -7.187 0.392 8.434) 11.088 2.888 ( -4.521 3.035 1.692) 5.702 2.990 ( 4.665 2.724 1.578) 5.627 3.125 ( 2.260 -0.077 2.275) 3.208 3.171 ( 4.803 -0.723 3.595) 6.043 3.418 ( -7.838 0.119 -2.047) 8.102 3.680 ( -2.495 1.294 -7.436) 7.950 3.726 ( -5.318 3.448 -7.329) 9.689 3.831 ( -8.732 1.139 -4.872) 10.064 4.261 ( -1.336 -0.834 -0.645) 1.702 4.293 ( -2.164 -2.751 -0.870) 3.606 4.326 ( 0.760 -4.208 -1.626) 4.575 4.379 ( -0.806 -6.194 -5.171) 8.109 4.699 ( 3.514 0.947 2.923) 4.667 4.831 ( 8.828 -1.119 -0.954) 8.950 5.072 ( 0.454 2.617 -1.778) 3.197 5.284 ( 3.599 -2.118 0.011) 4.176 5.861 ( -6.553 1.046 7.026) 9.665 5.959 ( -5.356 -2.194 -1.571) 5.998 6.255 ( 0.728 0.371 5.214) 5.278 6.300 ( 2.596 -0.728 -2.217) 3.491 6.336 ( 1.753 -1.735 1.204) 2.745 6.522 ( -0.609 3.655 -0.949) 3.825 6.646 ( -1.077 -4.670 -2.185) 5.267 6.749 ( -1.517 -6.177 -0.851) 6.417 7.305 ( -0.936 3.714 1.223) 4.021 7.364 ( -2.186 -0.016 0.411) 2.225 7.838 ( -0.414 1.619 -0.586) 1.771 8.014 ( -3.564 3.066 -4.420) 6.453 8.516 ( 3.297 3.079 1.553) 4.771 8.637 ( 0.193 3.997 -2.047) 4.495 9.326 ( 3.352 1.796 4.214) 5.676 9.387 ( 6.802 1.113 0.293) 6.899 ======================= Grid point 327 (160/160) ======================= q-point: (-0.11 -0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 1.827 0.000 21.597) 21.674 1.494 ( 0.555 0.000 20.030) 20.037 1.896 ( 2.968 0.000 -13.317) 13.644 1.972 ( -0.164 -0.000 -8.041) 8.043 2.298 ( 8.246 0.000 -4.625) 9.455 2.331 ( -3.599 -0.000 4.901) 6.081 2.493 ( 7.216 0.000 4.251) 8.375 2.576 ( 5.551 0.000 7.950) 9.697 2.696 ( 2.120 0.000 -0.088) 2.121 2.736 ( -3.260 -0.000 9.246) 9.803 2.820 ( -8.187 -0.000 6.188) 10.263 3.106 ( -3.107 -0.000 -6.934) 7.599 3.108 ( 4.985 0.000 2.111) 5.414 3.179 ( 5.472 0.000 0.633) 5.509 3.379 ( -3.742 -0.000 1.302) 3.962 3.666 ( -5.862 -0.000 -5.131) 7.790 3.715 ( -2.466 -0.000 -9.273) 9.595 3.774 ( -7.207 -0.000 -4.390) 8.439 4.247 ( -0.300 -0.000 -2.003) 2.025 4.251 ( -4.497 -0.000 2.112) 4.968 4.287 ( 1.643 0.000 -8.217) 8.379 4.291 ( -1.670 -0.000 -2.313) 2.853 4.743 ( 3.839 0.000 4.293) 5.759 4.880 ( 5.252 0.000 -1.742) 5.534 5.111 ( 5.113 0.000 -2.173) 5.556 5.284 ( 0.556 0.000 -0.262) 0.615 5.828 ( -5.837 -0.000 6.985) 9.103 5.905 ( -3.432 -0.000 -1.614) 3.792 6.263 ( -2.908 -0.000 8.968) 9.428 6.303 ( 3.516 0.000 -5.376) 6.423 6.352 ( 4.645 0.000 2.044) 5.075 6.557 ( -2.096 -0.000 0.009) 2.096 6.598 ( 0.680 0.000 -4.455) 4.507 6.655 ( -3.095 -0.000 -1.539) 3.457 7.339 ( -2.875 -0.000 5.400) 6.118 7.352 ( 1.449 0.000 -2.453) 2.850 7.853 ( 0.584 0.000 -0.069) 0.588 8.005 ( -4.480 -0.000 -4.600) 6.421 8.569 ( 3.032 0.000 1.696) 3.474 8.666 ( -1.187 -0.000 -1.873) 2.217 9.370 ( 2.532 0.000 5.179) 5.765 9.456 ( 7.278 0.000 -2.427) 7.672 =================== 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 3/23814 10.0 438.137 296.590 335.021 -0.000 -96.757 0.000 3/23814 20.0 50.000 52.933 76.857 -0.000 -8.786 0.000 3/23814 30.0 19.341 20.605 33.025 -0.000 -3.037 0.000 3/23814 40.0 11.111 11.538 18.913 -0.000 -1.586 0.000 3/23814 50.0 7.593 7.709 12.686 -0.000 -1.007 0.000 3/23814 60.0 5.712 5.703 9.379 -0.000 -0.717 0.000 3/23814 70.0 4.567 4.504 7.393 -0.000 -0.549 0.000 3/23814 80.0 3.805 3.719 6.092 -0.000 -0.441 0.000 3/23814 90.0 3.265 3.170 5.183 -0.000 -0.368 0.000 3/23814 100.0 2.864 2.766 4.515 -0.000 -0.315 0.000 3/23814 110.0 2.554 2.457 4.004 -0.000 -0.275 0.000 3/23814 120.0 2.307 2.213 3.602 -0.000 -0.244 0.000 3/23814 130.0 2.106 2.015 3.276 -0.000 -0.220 0.000 3/23814 140.0 1.939 1.851 3.006 -0.000 -0.199 0.000 3/23814 150.0 1.797 1.712 2.780 -0.000 -0.183 0.000 3/23814 160.0 1.676 1.594 2.586 -0.000 -0.168 0.000 3/23814 170.0 1.570 1.492 2.419 -0.000 -0.156 0.000 3/23814 180.0 1.478 1.403 2.273 -0.000 -0.146 0.000 3/23814 190.0 1.396 1.324 2.144 -0.000 -0.137 0.000 3/23814 200.0 1.323 1.254 2.030 -0.000 -0.129 0.000 3/23814 210.0 1.257 1.191 1.927 -0.000 -0.121 0.000 3/23814 220.0 1.198 1.134 1.835 -0.000 -0.115 0.000 3/23814 230.0 1.144 1.083 1.751 -0.000 -0.109 0.000 3/23814 240.0 1.095 1.036 1.675 -0.000 -0.104 0.000 3/23814 250.0 1.050 0.993 1.605 -0.000 -0.100 0.000 3/23814 260.0 1.009 0.954 1.541 -0.000 -0.095 0.000 3/23814 270.0 0.971 0.917 1.482 -0.000 -0.091 0.000 3/23814 280.0 0.936 0.884 1.428 -0.000 -0.088 0.000 3/23814 290.0 0.903 0.853 1.377 -0.000 -0.084 0.000 3/23814 300.0 0.873 0.824 1.330 -0.000 -0.081 0.000 3/23814 310.0 0.844 0.797 1.287 -0.000 -0.078 0.000 3/23814 320.0 0.817 0.771 1.245 -0.000 -0.076 0.000 3/23814 330.0 0.792 0.747 1.207 -0.000 -0.073 0.000 3/23814 340.0 0.769 0.725 1.171 -0.000 -0.071 0.000 3/23814 350.0 0.747 0.704 1.137 -0.000 -0.069 0.000 3/23814 360.0 0.726 0.684 1.105 -0.000 -0.067 0.000 3/23814 370.0 0.706 0.666 1.075 -0.000 -0.065 0.000 3/23814 380.0 0.687 0.648 1.046 -0.000 -0.063 0.000 3/23814 390.0 0.670 0.631 1.019 -0.000 -0.061 0.000 3/23814 400.0 0.653 0.615 0.993 -0.000 -0.060 0.000 3/23814 410.0 0.637 0.600 0.969 -0.000 -0.058 0.000 3/23814 420.0 0.622 0.586 0.945 -0.000 -0.057 0.000 3/23814 430.0 0.607 0.572 0.923 -0.000 -0.055 0.000 3/23814 440.0 0.593 0.559 0.902 -0.000 -0.054 0.000 3/23814 450.0 0.580 0.546 0.882 -0.000 -0.053 0.000 3/23814 460.0 0.568 0.534 0.863 -0.000 -0.051 0.000 3/23814 470.0 0.555 0.523 0.844 -0.000 -0.050 0.000 3/23814 480.0 0.544 0.512 0.826 -0.000 -0.049 0.000 3/23814 490.0 0.533 0.502 0.809 -0.000 -0.048 0.000 3/23814 500.0 0.522 0.491 0.793 -0.000 -0.047 0.000 3/23814 510.0 0.512 0.482 0.778 -0.000 -0.046 0.000 3/23814 520.0 0.502 0.473 0.763 -0.000 -0.045 0.000 3/23814 530.0 0.493 0.464 0.748 -0.000 -0.044 0.000 3/23814 540.0 0.483 0.455 0.734 -0.000 -0.044 0.000 3/23814 550.0 0.475 0.447 0.721 -0.000 -0.043 0.000 3/23814 560.0 0.466 0.439 0.708 -0.000 -0.042 0.000 3/23814 570.0 0.458 0.431 0.695 -0.000 -0.041 0.000 3/23814 580.0 0.450 0.424 0.683 -0.000 -0.040 0.000 3/23814 590.0 0.442 0.416 0.672 -0.000 -0.040 0.000 3/23814 600.0 0.435 0.409 0.661 -0.000 -0.039 0.000 3/23814 610.0 0.428 0.403 0.650 -0.000 -0.038 0.000 3/23814 620.0 0.421 0.396 0.639 -0.000 -0.038 0.000 3/23814 630.0 0.414 0.390 0.629 -0.000 -0.037 0.000 3/23814 640.0 0.408 0.384 0.619 -0.000 -0.037 0.000 3/23814 650.0 0.402 0.378 0.610 -0.000 -0.036 0.000 3/23814 660.0 0.396 0.372 0.600 -0.000 -0.035 0.000 3/23814 670.0 0.390 0.367 0.591 -0.000 -0.035 0.000 3/23814 680.0 0.384 0.361 0.583 -0.000 -0.034 0.000 3/23814 690.0 0.378 0.356 0.574 -0.000 -0.034 0.000 3/23814 700.0 0.373 0.351 0.566 -0.000 -0.033 0.000 3/23814 710.0 0.368 0.346 0.558 -0.000 -0.033 0.000 3/23814 720.0 0.363 0.341 0.550 -0.000 -0.032 0.000 3/23814 730.0 0.358 0.336 0.543 -0.000 -0.032 0.000 3/23814 740.0 0.353 0.332 0.535 -0.000 -0.031 0.000 3/23814 750.0 0.348 0.327 0.528 -0.000 -0.031 0.000 3/23814 760.0 0.344 0.323 0.521 -0.000 -0.031 0.000 3/23814 770.0 0.339 0.319 0.515 -0.000 -0.030 0.000 3/23814 780.0 0.335 0.315 0.508 -0.000 -0.030 0.000 3/23814 790.0 0.331 0.311 0.502 -0.000 -0.029 0.000 3/23814 800.0 0.326 0.307 0.495 -0.000 -0.029 0.000 3/23814 810.0 0.322 0.303 0.489 -0.000 -0.029 0.000 3/23814 820.0 0.319 0.299 0.483 -0.000 -0.028 0.000 3/23814 830.0 0.315 0.296 0.477 -0.000 -0.028 0.000 3/23814 840.0 0.311 0.292 0.472 -0.000 -0.028 0.000 3/23814 850.0 0.307 0.289 0.466 -0.000 -0.027 0.000 3/23814 860.0 0.304 0.286 0.461 -0.000 -0.027 0.000 3/23814 870.0 0.300 0.282 0.455 -0.000 -0.027 0.000 3/23814 880.0 0.297 0.279 0.450 -0.000 -0.026 0.000 3/23814 890.0 0.294 0.276 0.445 -0.000 -0.026 0.000 3/23814 900.0 0.290 0.273 0.440 -0.000 -0.026 0.000 3/23814 910.0 0.287 0.270 0.435 -0.000 -0.026 0.000 3/23814 920.0 0.284 0.267 0.431 -0.000 -0.025 0.000 3/23814 930.0 0.281 0.264 0.426 -0.000 -0.025 0.000 3/23814 940.0 0.278 0.261 0.422 -0.000 -0.025 0.000 3/23814 950.0 0.275 0.259 0.417 -0.000 -0.024 0.000 3/23814 960.0 0.272 0.256 0.413 -0.000 -0.024 0.000 3/23814 970.0 0.269 0.253 0.409 -0.000 -0.024 0.000 3/23814 980.0 0.267 0.251 0.404 -0.000 -0.024 0.000 3/23814 990.0 0.264 0.248 0.400 -0.000 -0.023 0.000 3/23814 1000.0 0.261 0.246 0.396 -0.000 -0.023 0.000 3/23814 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:26:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|