----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:47:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.795658060012423 0.000000000000000 0.000000000000000 b 0.000000000000000 5.860225050000000 0.000000000000000 c -5.760507528464521 0.000000000000000 8.225752287237910 Atomic positions (fractional): *1 Sr 0.25922701263928 0.53547870102323 0.75037560024677 87.620 2 Sr 0.25922701263928 0.96452129897677 0.25037560024677 87.620 3 Sr 0.74077298736072 0.46452129897677 0.24962439975323 87.620 4 Sr 0.74077298736072 0.03547870102323 0.74962439975323 87.620 *5 Dy 0.00000000000000 0.50000000000000 0.00000000000000 162.500 6 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 *7 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 8 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 *9 O 0.18512413996418 0.52220876228500 0.26389335978067 15.999 *10 O 0.34551385629008 0.77421660644696 0.54328891636134 15.999 *11 O 0.73247447021660 0.70095032515428 0.45934405316634 15.999 12 O 0.65448614370992 0.27421660644696 0.95671108363866 15.999 13 O 0.26752552978340 0.29904967484572 0.54065594683366 15.999 14 O 0.81487586003582 0.47779123771500 0.73610664021933 15.999 15 O 0.73247447021660 0.79904967484572 0.95934405316634 15.999 16 O 0.34551385629008 0.72578339355304 0.04328891636134 15.999 17 O 0.65448614370992 0.22578339355304 0.45671108363866 15.999 18 O 0.81487586003582 0.02220876228500 0.23610664021933 15.999 19 O 0.18512413996418 0.97779123771500 0.76389335978067 15.999 20 O 0.26752552978340 0.20095032515428 0.04065594683366 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.795658060012423 0.000000000000000 0.000000000000000 b 0.000000000000000 5.860225050000000 0.000000000000000 c -5.760507528464521 0.000000000000000 8.225752287237910 Atomic positions (fractional): *1 Sr 0.25922701263928 0.53547870102323 0.75037560024677 87.620 > 1 2 Sr 0.25922701263928 0.96452129897677 0.25037560024677 87.620 > 2 3 Sr 0.74077298736072 0.46452129897677 0.24962439975323 87.620 > 3 4 Sr 0.74077298736072 0.03547870102323 0.74962439975323 87.620 > 4 *5 Dy 0.00000000000000 0.50000000000000 0.00000000000000 162.500 > 5 6 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 6 *7 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 7 8 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 8 *9 O 0.18512413996418 0.52220876228500 0.26389335978067 15.999 > 9 *10 O 0.34551385629008 0.77421660644696 0.54328891636134 15.999 > 10 *11 O 0.73247447021660 0.70095032515428 0.45934405316634 15.999 > 11 12 O 0.65448614370992 0.27421660644696 0.95671108363866 15.999 > 12 13 O 0.26752552978340 0.29904967484572 0.54065594683366 15.999 > 13 14 O 0.81487586003582 0.47779123771500 0.73610664021933 15.999 > 14 15 O 0.73247447021660 0.79904967484572 0.95934405316634 15.999 > 15 16 O 0.34551385629008 0.72578339355304 0.04328891636134 15.999 > 16 17 O 0.65448614370992 0.22578339355304 0.45671108363866 15.999 > 17 18 O 0.81487586003582 0.02220876228500 0.23610664021933 15.999 > 18 19 O 0.18512413996418 0.97779123771500 0.76389335978067 15.999 > 19 20 O 0.26752552978340 0.20095032515428 0.04065594683366 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.591316120024846 0.000000000000000 0.000000000000000 b 0.000000000000000 11.720450100000001 0.000000000000000 c -5.760507528464521 0.000000000000000 8.225752287237910 Atomic positions (fractional): *1 Sr 0.12961350631964 0.26773935051162 0.75037560024677 87.620 > 1 2 Sr 0.62961350631964 0.26773935051162 0.75037560024677 87.620 > 1 3 Sr 0.12961350631964 0.76773935051162 0.75037560024677 87.620 > 1 4 Sr 0.62961350631964 0.76773935051162 0.75037560024677 87.620 > 1 5 Sr 0.12961350631964 0.48226064948838 0.25037560024677 87.620 > 2 6 Sr 0.62961350631964 0.48226064948838 0.25037560024677 87.620 > 2 7 Sr 0.12961350631964 0.98226064948838 0.25037560024677 87.620 > 2 8 Sr 0.62961350631964 0.98226064948838 0.25037560024677 87.620 > 2 9 Sr 0.37038649368036 0.23226064948838 0.24962439975323 87.620 > 3 10 Sr 0.87038649368036 0.23226064948838 0.24962439975323 87.620 > 3 11 Sr 0.37038649368036 0.73226064948838 0.24962439975323 87.620 > 3 12 Sr 0.87038649368036 0.73226064948838 0.24962439975323 87.620 > 3 13 Sr 0.37038649368036 0.01773935051162 0.74962439975323 87.620 > 4 14 Sr 0.87038649368036 0.01773935051162 0.74962439975323 87.620 > 4 15 Sr 0.37038649368036 0.51773935051162 0.74962439975323 87.620 > 4 16 Sr 0.87038649368036 0.51773935051162 0.74962439975323 87.620 > 4 *17 Dy 0.00000000000000 0.25000000000000 0.00000000000000 162.500 > 5 18 Dy 0.50000000000000 0.25000000000000 0.00000000000000 162.500 > 5 19 Dy 0.00000000000000 0.75000000000000 0.00000000000000 162.500 > 5 20 Dy 0.50000000000000 0.75000000000000 0.00000000000000 162.500 > 5 21 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 6 22 Dy 0.50000000000000 0.00000000000000 0.50000000000000 162.500 > 6 23 Dy 0.00000000000000 0.50000000000000 0.50000000000000 162.500 > 6 24 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 > 6 *25 Sb 0.25000000000000 0.00000000000000 0.00000000000000 121.760 > 7 26 Sb 0.75000000000000 0.00000000000000 0.00000000000000 121.760 > 7 27 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 7 28 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 7 29 Sb 0.25000000000000 0.25000000000000 0.50000000000000 121.760 > 8 30 Sb 0.75000000000000 0.25000000000000 0.50000000000000 121.760 > 8 31 Sb 0.25000000000000 0.75000000000000 0.50000000000000 121.760 > 8 32 Sb 0.75000000000000 0.75000000000000 0.50000000000000 121.760 > 8 *33 O 0.09256206998209 0.26110438114250 0.26389335978067 15.999 > 9 34 O 0.59256206998209 0.26110438114250 0.26389335978067 15.999 > 9 35 O 0.09256206998209 0.76110438114250 0.26389335978067 15.999 > 9 36 O 0.59256206998209 0.76110438114250 0.26389335978067 15.999 > 9 *37 O 0.17275692814504 0.38710830322348 0.54328891636134 15.999 > 10 38 O 0.67275692814504 0.38710830322348 0.54328891636134 15.999 > 10 39 O 0.17275692814504 0.88710830322348 0.54328891636134 15.999 > 10 40 O 0.67275692814504 0.88710830322348 0.54328891636134 15.999 > 10 *41 O 0.36623723510830 0.35047516257714 0.45934405316634 15.999 > 11 42 O 0.86623723510830 0.35047516257714 0.45934405316634 15.999 > 11 43 O 0.36623723510830 0.85047516257714 0.45934405316634 15.999 > 11 44 O 0.86623723510830 0.85047516257714 0.45934405316634 15.999 > 11 45 O 0.32724307185496 0.13710830322348 0.95671108363866 15.999 > 12 46 O 0.82724307185496 0.13710830322348 0.95671108363866 15.999 > 12 47 O 0.32724307185496 0.63710830322348 0.95671108363866 15.999 > 12 48 O 0.82724307185496 0.63710830322348 0.95671108363866 15.999 > 12 49 O 0.13376276489170 0.14952483742286 0.54065594683366 15.999 > 13 50 O 0.63376276489170 0.14952483742286 0.54065594683366 15.999 > 13 51 O 0.13376276489170 0.64952483742286 0.54065594683366 15.999 > 13 52 O 0.63376276489170 0.64952483742286 0.54065594683366 15.999 > 13 53 O 0.40743793001791 0.23889561885750 0.73610664021933 15.999 > 14 54 O 0.90743793001791 0.23889561885750 0.73610664021933 15.999 > 14 55 O 0.40743793001791 0.73889561885750 0.73610664021933 15.999 > 14 56 O 0.90743793001791 0.73889561885750 0.73610664021933 15.999 > 14 57 O 0.36623723510830 0.39952483742286 0.95934405316634 15.999 > 15 58 O 0.86623723510830 0.39952483742286 0.95934405316634 15.999 > 15 59 O 0.36623723510830 0.89952483742286 0.95934405316634 15.999 > 15 60 O 0.86623723510830 0.89952483742286 0.95934405316634 15.999 > 15 61 O 0.17275692814504 0.36289169677652 0.04328891636134 15.999 > 16 62 O 0.67275692814504 0.36289169677652 0.04328891636134 15.999 > 16 63 O 0.17275692814504 0.86289169677652 0.04328891636134 15.999 > 16 64 O 0.67275692814504 0.86289169677652 0.04328891636134 15.999 > 16 65 O 0.32724307185496 0.11289169677652 0.45671108363866 15.999 > 17 66 O 0.82724307185496 0.11289169677652 0.45671108363866 15.999 > 17 67 O 0.32724307185496 0.61289169677652 0.45671108363866 15.999 > 17 68 O 0.82724307185496 0.61289169677652 0.45671108363866 15.999 > 17 69 O 0.40743793001791 0.01110438114250 0.23610664021933 15.999 > 18 70 O 0.90743793001791 0.01110438114250 0.23610664021933 15.999 > 18 71 O 0.40743793001791 0.51110438114250 0.23610664021933 15.999 > 18 72 O 0.90743793001791 0.51110438114250 0.23610664021933 15.999 > 18 73 O 0.09256206998209 0.48889561885750 0.76389335978067 15.999 > 19 74 O 0.59256206998209 0.48889561885750 0.76389335978067 15.999 > 19 75 O 0.09256206998209 0.98889561885750 0.76389335978067 15.999 > 19 76 O 0.59256206998209 0.98889561885750 0.76389335978067 15.999 > 19 77 O 0.13376276489170 0.10047516257714 0.04065594683366 15.999 > 20 78 O 0.63376276489170 0.10047516257714 0.04065594683366 15.999 > 20 79 O 0.13376276489170 0.60047516257714 0.04065594683366 15.999 > 20 80 O 0.63376276489170 0.60047516257714 0.04065594683366 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0703464 0.0000000 0.0029819 0.0000000 4.0717868 0.0000000 0.0029826 0.0000000 4.0267692 -------------------------- Born effective charges -------------------------- 1 Sr 2.5402248 -0.1056115 -0.0135688 -0.1186003 2.4825649 0.0046969 0.0024186 0.0056662 2.4360826 2 Sr 2.5402248 0.1056115 -0.0135688 0.1186003 2.4825649 -0.0046969 0.0024186 -0.0056662 2.4360826 3 Sr 2.5402248 -0.1056115 -0.0135688 -0.1186003 2.4825649 0.0046969 0.0024186 0.0056662 2.4360826 4 Sr 2.5402248 0.1056115 -0.0135688 0.1186003 2.4825649 -0.0046969 0.0024186 -0.0056662 2.4360826 5 Dy 4.1560250 -0.2286086 0.3760437 0.1329888 4.1453034 0.0770894 -0.2359586 0.1313432 4.1427265 6 Dy 4.1560250 0.2286086 0.3760437 -0.1329888 4.1453034 -0.0770894 -0.2359586 -0.1313432 4.1427265 7 Sb 4.8442270 0.1784002 -0.2981331 -0.1002259 4.9069321 0.0583810 0.1900724 0.1040911 4.8876052 8 Sb 4.8442270 -0.1784002 -0.2981331 0.1002259 4.9069321 -0.0583810 0.1900724 -0.1040911 4.8876052 9 O -1.9568853 -0.0518464 -0.0521078 -0.1024906 -1.7907078 0.0144713 -0.0079148 -0.0109438 -3.2558422 10 O -2.5208718 0.6675619 0.0376351 0.7231060 -2.6159010 -0.0436573 0.0316707 -0.0954444 -1.8461024 11 O -2.5625938 -0.7081131 -0.0109138 -0.6920698 -2.6020738 -0.0730107 -0.0032313 -0.0212716 -1.8493039 12 O -2.5208718 -0.6675619 0.0376351 -0.7231060 -2.6159010 0.0436573 0.0316707 0.0954444 -1.8461024 13 O -2.5625938 -0.7081131 -0.0109138 -0.6920698 -2.6020738 -0.0730107 -0.0032313 -0.0212716 -1.8493039 14 O -1.9568853 -0.0518464 -0.0521078 -0.1024906 -1.7907078 0.0144713 -0.0079148 -0.0109438 -3.2558422 15 O -2.5625938 0.7081131 -0.0109138 0.6920698 -2.6020738 0.0730107 -0.0032313 0.0212716 -1.8493039 16 O -2.5208718 -0.6675619 0.0376351 -0.7231060 -2.6159010 0.0436573 0.0316707 0.0954444 -1.8461024 17 O -2.5208718 0.6675619 0.0376351 0.7231060 -2.6159010 -0.0436573 0.0316707 -0.0954444 -1.8461024 18 O -1.9568853 0.0518464 -0.0521078 0.1024906 -1.7907078 -0.0144713 -0.0079148 0.0109438 -3.2558422 19 O -1.9568853 0.0518464 -0.0521078 0.1024906 -1.7907078 -0.0144713 -0.0079148 0.0109438 -3.2558422 20 O -2.5625938 0.7081131 -0.0109138 0.6920698 -2.6020738 0.0730107 -0.0032313 0.0212716 -1.8493039 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 640 - Time: 0.536 Solver_block: 200 / 640 - Time: 0.484 Solver_block: 300 / 640 - Time: 0.476 Solver_block: 400 / 640 - Time: 0.475 Solver_block: 500 / 640 - Time: 0.476 Solver_block: 600 / 640 - Time: 0.475 Solver_block: 640 / 640 - Time: 0.260 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.231 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), 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 16:47:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:47:29]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.795658060012423 0.000000000000000 0.000000000000000 b 0.000000000000000 5.860225050000000 0.000000000000000 c -5.760507528464521 0.000000000000000 8.225752287237910 Atomic positions (fractional): 1 Sr 0.25922701263928 0.53547870102323 0.75037560024677 87.620 2 Sr 0.25922701263928 0.96452129897677 0.25037560024677 87.620 3 Sr 0.74077298736072 0.46452129897677 0.24962439975323 87.620 4 Sr 0.74077298736072 0.03547870102323 0.74962439975323 87.620 5 Dy 0.00000000000000 0.50000000000000 0.00000000000000 162.500 6 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 7 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 8 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 9 O 0.18512413996418 0.52220876228500 0.26389335978067 15.999 10 O 0.34551385629008 0.77421660644696 0.54328891636134 15.999 11 O 0.73247447021660 0.70095032515428 0.45934405316634 15.999 12 O 0.65448614370992 0.27421660644696 0.95671108363866 15.999 13 O 0.26752552978340 0.29904967484572 0.54065594683366 15.999 14 O 0.81487586003582 0.47779123771500 0.73610664021933 15.999 15 O 0.73247447021660 0.79904967484572 0.95934405316634 15.999 16 O 0.34551385629008 0.72578339355304 0.04328891636134 15.999 17 O 0.65448614370992 0.22578339355304 0.45671108363866 15.999 18 O 0.81487586003582 0.02220876228500 0.23610664021933 15.999 19 O 0.18512413996418 0.97779123771500 0.76389335978067 15.999 20 O 0.26752552978340 0.20095032515428 0.04065594683366 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.591316120024846 0.000000000000000 0.000000000000000 b 0.000000000000000 11.720450100000001 0.000000000000000 c -5.760507528464521 0.000000000000000 8.225752287237910 Atomic positions (fractional): 1 Sr 0.12961350631964 0.26773935051162 0.75037560024677 87.620 > 1 2 Sr 0.62961350631964 0.26773935051162 0.75037560024677 87.620 > 1 3 Sr 0.12961350631964 0.76773935051162 0.75037560024677 87.620 > 1 4 Sr 0.62961350631964 0.76773935051162 0.75037560024677 87.620 > 1 5 Sr 0.12961350631964 0.48226064948838 0.25037560024677 87.620 > 5 6 Sr 0.62961350631964 0.48226064948838 0.25037560024677 87.620 > 5 7 Sr 0.12961350631964 0.98226064948838 0.25037560024677 87.620 > 5 8 Sr 0.62961350631964 0.98226064948838 0.25037560024677 87.620 > 5 9 Sr 0.37038649368036 0.23226064948838 0.24962439975323 87.620 > 9 10 Sr 0.87038649368036 0.23226064948838 0.24962439975323 87.620 > 9 11 Sr 0.37038649368036 0.73226064948838 0.24962439975323 87.620 > 9 12 Sr 0.87038649368036 0.73226064948838 0.24962439975323 87.620 > 9 13 Sr 0.37038649368036 0.01773935051162 0.74962439975323 87.620 > 13 14 Sr 0.87038649368036 0.01773935051162 0.74962439975323 87.620 > 13 15 Sr 0.37038649368036 0.51773935051162 0.74962439975323 87.620 > 13 16 Sr 0.87038649368036 0.51773935051162 0.74962439975323 87.620 > 13 17 Dy 0.00000000000000 0.25000000000000 0.00000000000000 162.500 > 17 18 Dy 0.50000000000000 0.25000000000000 0.00000000000000 162.500 > 17 19 Dy 0.00000000000000 0.75000000000000 0.00000000000000 162.500 > 17 20 Dy 0.50000000000000 0.75000000000000 0.00000000000000 162.500 > 17 21 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 21 22 Dy 0.50000000000000 0.00000000000000 0.50000000000000 162.500 > 21 23 Dy 0.00000000000000 0.50000000000000 0.50000000000000 162.500 > 21 24 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 > 21 25 Sb 0.25000000000000 0.00000000000000 0.00000000000000 121.760 > 25 26 Sb 0.75000000000000 0.00000000000000 0.00000000000000 121.760 > 25 27 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 25 28 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 25 29 Sb 0.25000000000000 0.25000000000000 0.50000000000000 121.760 > 29 30 Sb 0.75000000000000 0.25000000000000 0.50000000000000 121.760 > 29 31 Sb 0.25000000000000 0.75000000000000 0.50000000000000 121.760 > 29 32 Sb 0.75000000000000 0.75000000000000 0.50000000000000 121.760 > 29 33 O 0.09256206998209 0.26110438114250 0.26389335978067 15.999 > 33 34 O 0.59256206998209 0.26110438114250 0.26389335978067 15.999 > 33 35 O 0.09256206998209 0.76110438114250 0.26389335978067 15.999 > 33 36 O 0.59256206998209 0.76110438114250 0.26389335978067 15.999 > 33 37 O 0.17275692814504 0.38710830322348 0.54328891636134 15.999 > 37 38 O 0.67275692814504 0.38710830322348 0.54328891636134 15.999 > 37 39 O 0.17275692814504 0.88710830322348 0.54328891636134 15.999 > 37 40 O 0.67275692814504 0.88710830322348 0.54328891636134 15.999 > 37 41 O 0.36623723510830 0.35047516257714 0.45934405316634 15.999 > 41 42 O 0.86623723510830 0.35047516257714 0.45934405316634 15.999 > 41 43 O 0.36623723510830 0.85047516257714 0.45934405316634 15.999 > 41 44 O 0.86623723510830 0.85047516257714 0.45934405316634 15.999 > 41 45 O 0.32724307185496 0.13710830322348 0.95671108363866 15.999 > 45 46 O 0.82724307185496 0.13710830322348 0.95671108363866 15.999 > 45 47 O 0.32724307185496 0.63710830322348 0.95671108363866 15.999 > 45 48 O 0.82724307185496 0.63710830322348 0.95671108363866 15.999 > 45 49 O 0.13376276489170 0.14952483742286 0.54065594683366 15.999 > 49 50 O 0.63376276489170 0.14952483742286 0.54065594683366 15.999 > 49 51 O 0.13376276489170 0.64952483742286 0.54065594683366 15.999 > 49 52 O 0.63376276489170 0.64952483742286 0.54065594683366 15.999 > 49 53 O 0.40743793001791 0.23889561885750 0.73610664021933 15.999 > 53 54 O 0.90743793001791 0.23889561885750 0.73610664021933 15.999 > 53 55 O 0.40743793001791 0.73889561885750 0.73610664021933 15.999 > 53 56 O 0.90743793001791 0.73889561885750 0.73610664021933 15.999 > 53 57 O 0.36623723510830 0.39952483742286 0.95934405316634 15.999 > 57 58 O 0.86623723510830 0.39952483742286 0.95934405316634 15.999 > 57 59 O 0.36623723510830 0.89952483742286 0.95934405316634 15.999 > 57 60 O 0.86623723510830 0.89952483742286 0.95934405316634 15.999 > 57 61 O 0.17275692814504 0.36289169677652 0.04328891636134 15.999 > 61 62 O 0.67275692814504 0.36289169677652 0.04328891636134 15.999 > 61 63 O 0.17275692814504 0.86289169677652 0.04328891636134 15.999 > 61 64 O 0.67275692814504 0.86289169677652 0.04328891636134 15.999 > 61 65 O 0.32724307185496 0.11289169677652 0.45671108363866 15.999 > 65 66 O 0.82724307185496 0.11289169677652 0.45671108363866 15.999 > 65 67 O 0.32724307185496 0.61289169677652 0.45671108363866 15.999 > 65 68 O 0.82724307185496 0.61289169677652 0.45671108363866 15.999 > 65 69 O 0.40743793001791 0.01110438114250 0.23610664021933 15.999 > 69 70 O 0.90743793001791 0.01110438114250 0.23610664021933 15.999 > 69 71 O 0.40743793001791 0.51110438114250 0.23610664021933 15.999 > 69 72 O 0.90743793001791 0.51110438114250 0.23610664021933 15.999 > 69 73 O 0.09256206998209 0.48889561885750 0.76389335978067 15.999 > 73 74 O 0.59256206998209 0.48889561885750 0.76389335978067 15.999 > 73 75 O 0.09256206998209 0.98889561885750 0.76389335978067 15.999 > 73 76 O 0.59256206998209 0.98889561885750 0.76389335978067 15.999 > 73 77 O 0.13376276489170 0.10047516257714 0.04065594683366 15.999 > 77 78 O 0.63376276489170 0.10047516257714 0.04065594683366 15.999 > 77 79 O 0.13376276489170 0.60047516257714 0.04065594683366 15.999 > 77 80 O 0.63376276489170 0.60047516257714 0.04065594683366 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0703464 0.0000000 0.0029819 0.0000000 4.0717868 0.0000000 0.0029826 0.0000000 4.0267692 -------------------------- Born effective charges -------------------------- 1 Sr 2.5402248 -0.1056115 -0.0135688 -0.1186003 2.4825649 0.0046969 0.0024186 0.0056662 2.4360826 2 Sr 2.5402248 0.1056115 -0.0135688 0.1186003 2.4825649 -0.0046969 0.0024186 -0.0056662 2.4360826 3 Sr 2.5402248 -0.1056115 -0.0135688 -0.1186003 2.4825649 0.0046969 0.0024186 0.0056662 2.4360826 4 Sr 2.5402248 0.1056115 -0.0135688 0.1186003 2.4825649 -0.0046969 0.0024186 -0.0056662 2.4360826 5 Dy 4.1560250 -0.2286086 0.3760437 0.1329888 4.1453034 0.0770894 -0.2359586 0.1313432 4.1427265 6 Dy 4.1560250 0.2286086 0.3760437 -0.1329888 4.1453034 -0.0770894 -0.2359586 -0.1313432 4.1427265 7 Sb 4.8442270 0.1784002 -0.2981331 -0.1002259 4.9069321 0.0583810 0.1900724 0.1040911 4.8876052 8 Sb 4.8442270 -0.1784002 -0.2981331 0.1002259 4.9069321 -0.0583810 0.1900724 -0.1040911 4.8876052 9 O -1.9568853 -0.0518464 -0.0521078 -0.1024906 -1.7907078 0.0144713 -0.0079148 -0.0109438 -3.2558422 10 O -2.5208718 0.6675619 0.0376351 0.7231060 -2.6159010 -0.0436573 0.0316707 -0.0954444 -1.8461024 11 O -2.5625938 -0.7081131 -0.0109138 -0.6920698 -2.6020738 -0.0730107 -0.0032313 -0.0212716 -1.8493039 12 O -2.5208718 -0.6675619 0.0376351 -0.7231060 -2.6159010 0.0436573 0.0316707 0.0954444 -1.8461024 13 O -2.5625938 -0.7081131 -0.0109138 -0.6920698 -2.6020738 -0.0730107 -0.0032313 -0.0212716 -1.8493039 14 O -1.9568853 -0.0518464 -0.0521078 -0.1024906 -1.7907078 0.0144713 -0.0079148 -0.0109438 -3.2558422 15 O -2.5625938 0.7081131 -0.0109138 0.6920698 -2.6020738 0.0730107 -0.0032313 0.0212716 -1.8493039 16 O -2.5208718 -0.6675619 0.0376351 -0.7231060 -2.6159010 0.0436573 0.0316707 0.0954444 -1.8461024 17 O -2.5208718 0.6675619 0.0376351 0.7231060 -2.6159010 -0.0436573 0.0316707 -0.0954444 -1.8461024 18 O -1.9568853 0.0518464 -0.0521078 0.1024906 -1.7907078 -0.0144713 -0.0079148 0.0109438 -3.2558422 19 O -1.9568853 0.0518464 -0.0521078 0.1024906 -1.7907078 -0.0144713 -0.0079148 0.0109438 -3.2558422 20 O -2.5625938 0.7081131 -0.0109138 0.6920698 -2.6020738 0.0730107 -0.0032313 0.0212716 -1.8493039 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 25, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 37, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 41, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (zzz) -0.00000004 (zzz) -0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000012 (xy) -0.00000012 (xy) 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 16:47:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:47:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.795658060012423 0.000000000000000 0.000000000000000 b 0.000000000000000 5.860225050000000 0.000000000000000 c -5.760507528464521 0.000000000000000 8.225752287237910 Atomic positions (fractional): 1 Sr 0.25922701263928 0.53547870102323 0.75037560024677 87.620 2 Sr 0.25922701263928 0.96452129897677 0.25037560024677 87.620 3 Sr 0.74077298736072 0.46452129897677 0.24962439975323 87.620 4 Sr 0.74077298736072 0.03547870102323 0.74962439975323 87.620 5 Dy 0.00000000000000 0.50000000000000 0.00000000000000 162.500 6 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 7 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 8 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 9 O 0.18512413996418 0.52220876228500 0.26389335978067 15.999 10 O 0.34551385629008 0.77421660644696 0.54328891636134 15.999 11 O 0.73247447021660 0.70095032515428 0.45934405316634 15.999 12 O 0.65448614370992 0.27421660644696 0.95671108363866 15.999 13 O 0.26752552978340 0.29904967484572 0.54065594683366 15.999 14 O 0.81487586003582 0.47779123771500 0.73610664021933 15.999 15 O 0.73247447021660 0.79904967484572 0.95934405316634 15.999 16 O 0.34551385629008 0.72578339355304 0.04328891636134 15.999 17 O 0.65448614370992 0.22578339355304 0.45671108363866 15.999 18 O 0.81487586003582 0.02220876228500 0.23610664021933 15.999 19 O 0.18512413996418 0.97779123771500 0.76389335978067 15.999 20 O 0.26752552978340 0.20095032515428 0.04065594683366 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.591316120024846 0.000000000000000 0.000000000000000 b 0.000000000000000 11.720450100000001 0.000000000000000 c -5.760507528464521 0.000000000000000 8.225752287237910 Atomic positions (fractional): 1 Sr 0.12961350631964 0.26773935051162 0.75037560024677 87.620 > 1 2 Sr 0.62961350631964 0.26773935051162 0.75037560024677 87.620 > 1 3 Sr 0.12961350631964 0.76773935051162 0.75037560024677 87.620 > 1 4 Sr 0.62961350631964 0.76773935051162 0.75037560024677 87.620 > 1 5 Sr 0.12961350631964 0.48226064948838 0.25037560024677 87.620 > 5 6 Sr 0.62961350631964 0.48226064948838 0.25037560024677 87.620 > 5 7 Sr 0.12961350631964 0.98226064948838 0.25037560024677 87.620 > 5 8 Sr 0.62961350631964 0.98226064948838 0.25037560024677 87.620 > 5 9 Sr 0.37038649368036 0.23226064948838 0.24962439975323 87.620 > 9 10 Sr 0.87038649368036 0.23226064948838 0.24962439975323 87.620 > 9 11 Sr 0.37038649368036 0.73226064948838 0.24962439975323 87.620 > 9 12 Sr 0.87038649368036 0.73226064948838 0.24962439975323 87.620 > 9 13 Sr 0.37038649368036 0.01773935051162 0.74962439975323 87.620 > 13 14 Sr 0.87038649368036 0.01773935051162 0.74962439975323 87.620 > 13 15 Sr 0.37038649368036 0.51773935051162 0.74962439975323 87.620 > 13 16 Sr 0.87038649368036 0.51773935051162 0.74962439975323 87.620 > 13 17 Dy 0.00000000000000 0.25000000000000 0.00000000000000 162.500 > 17 18 Dy 0.50000000000000 0.25000000000000 0.00000000000000 162.500 > 17 19 Dy 0.00000000000000 0.75000000000000 0.00000000000000 162.500 > 17 20 Dy 0.50000000000000 0.75000000000000 0.00000000000000 162.500 > 17 21 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 21 22 Dy 0.50000000000000 0.00000000000000 0.50000000000000 162.500 > 21 23 Dy 0.00000000000000 0.50000000000000 0.50000000000000 162.500 > 21 24 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 > 21 25 Sb 0.25000000000000 0.00000000000000 0.00000000000000 121.760 > 25 26 Sb 0.75000000000000 0.00000000000000 0.00000000000000 121.760 > 25 27 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 25 28 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 25 29 Sb 0.25000000000000 0.25000000000000 0.50000000000000 121.760 > 29 30 Sb 0.75000000000000 0.25000000000000 0.50000000000000 121.760 > 29 31 Sb 0.25000000000000 0.75000000000000 0.50000000000000 121.760 > 29 32 Sb 0.75000000000000 0.75000000000000 0.50000000000000 121.760 > 29 33 O 0.09256206998209 0.26110438114250 0.26389335978067 15.999 > 33 34 O 0.59256206998209 0.26110438114250 0.26389335978067 15.999 > 33 35 O 0.09256206998209 0.76110438114250 0.26389335978067 15.999 > 33 36 O 0.59256206998209 0.76110438114250 0.26389335978067 15.999 > 33 37 O 0.17275692814504 0.38710830322348 0.54328891636134 15.999 > 37 38 O 0.67275692814504 0.38710830322348 0.54328891636134 15.999 > 37 39 O 0.17275692814504 0.88710830322348 0.54328891636134 15.999 > 37 40 O 0.67275692814504 0.88710830322348 0.54328891636134 15.999 > 37 41 O 0.36623723510830 0.35047516257714 0.45934405316634 15.999 > 41 42 O 0.86623723510830 0.35047516257714 0.45934405316634 15.999 > 41 43 O 0.36623723510830 0.85047516257714 0.45934405316634 15.999 > 41 44 O 0.86623723510830 0.85047516257714 0.45934405316634 15.999 > 41 45 O 0.32724307185496 0.13710830322348 0.95671108363866 15.999 > 45 46 O 0.82724307185496 0.13710830322348 0.95671108363866 15.999 > 45 47 O 0.32724307185496 0.63710830322348 0.95671108363866 15.999 > 45 48 O 0.82724307185496 0.63710830322348 0.95671108363866 15.999 > 45 49 O 0.13376276489170 0.14952483742286 0.54065594683366 15.999 > 49 50 O 0.63376276489170 0.14952483742286 0.54065594683366 15.999 > 49 51 O 0.13376276489170 0.64952483742286 0.54065594683366 15.999 > 49 52 O 0.63376276489170 0.64952483742286 0.54065594683366 15.999 > 49 53 O 0.40743793001791 0.23889561885750 0.73610664021933 15.999 > 53 54 O 0.90743793001791 0.23889561885750 0.73610664021933 15.999 > 53 55 O 0.40743793001791 0.73889561885750 0.73610664021933 15.999 > 53 56 O 0.90743793001791 0.73889561885750 0.73610664021933 15.999 > 53 57 O 0.36623723510830 0.39952483742286 0.95934405316634 15.999 > 57 58 O 0.86623723510830 0.39952483742286 0.95934405316634 15.999 > 57 59 O 0.36623723510830 0.89952483742286 0.95934405316634 15.999 > 57 60 O 0.86623723510830 0.89952483742286 0.95934405316634 15.999 > 57 61 O 0.17275692814504 0.36289169677652 0.04328891636134 15.999 > 61 62 O 0.67275692814504 0.36289169677652 0.04328891636134 15.999 > 61 63 O 0.17275692814504 0.86289169677652 0.04328891636134 15.999 > 61 64 O 0.67275692814504 0.86289169677652 0.04328891636134 15.999 > 61 65 O 0.32724307185496 0.11289169677652 0.45671108363866 15.999 > 65 66 O 0.82724307185496 0.11289169677652 0.45671108363866 15.999 > 65 67 O 0.32724307185496 0.61289169677652 0.45671108363866 15.999 > 65 68 O 0.82724307185496 0.61289169677652 0.45671108363866 15.999 > 65 69 O 0.40743793001791 0.01110438114250 0.23610664021933 15.999 > 69 70 O 0.90743793001791 0.01110438114250 0.23610664021933 15.999 > 69 71 O 0.40743793001791 0.51110438114250 0.23610664021933 15.999 > 69 72 O 0.90743793001791 0.51110438114250 0.23610664021933 15.999 > 69 73 O 0.09256206998209 0.48889561885750 0.76389335978067 15.999 > 73 74 O 0.59256206998209 0.48889561885750 0.76389335978067 15.999 > 73 75 O 0.09256206998209 0.98889561885750 0.76389335978067 15.999 > 73 76 O 0.59256206998209 0.98889561885750 0.76389335978067 15.999 > 73 77 O 0.13376276489170 0.10047516257714 0.04065594683366 15.999 > 77 78 O 0.63376276489170 0.10047516257714 0.04065594683366 15.999 > 77 79 O 0.13376276489170 0.60047516257714 0.04065594683366 15.999 > 77 80 O 0.63376276489170 0.60047516257714 0.04065594683366 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0703464 0.0000000 0.0029819 0.0000000 4.0717868 0.0000000 0.0029826 0.0000000 4.0267692 -------------------------- Born effective charges -------------------------- 1 Sr 2.5402248 -0.1056115 -0.0135688 -0.1186003 2.4825649 0.0046969 0.0024186 0.0056662 2.4360826 2 Sr 2.5402248 0.1056115 -0.0135688 0.1186003 2.4825649 -0.0046969 0.0024186 -0.0056662 2.4360826 3 Sr 2.5402248 -0.1056115 -0.0135688 -0.1186003 2.4825649 0.0046969 0.0024186 0.0056662 2.4360826 4 Sr 2.5402248 0.1056115 -0.0135688 0.1186003 2.4825649 -0.0046969 0.0024186 -0.0056662 2.4360826 5 Dy 4.1560250 -0.2286086 0.3760437 0.1329888 4.1453034 0.0770894 -0.2359586 0.1313432 4.1427265 6 Dy 4.1560250 0.2286086 0.3760437 -0.1329888 4.1453034 -0.0770894 -0.2359586 -0.1313432 4.1427265 7 Sb 4.8442270 0.1784002 -0.2981331 -0.1002259 4.9069321 0.0583810 0.1900724 0.1040911 4.8876052 8 Sb 4.8442270 -0.1784002 -0.2981331 0.1002259 4.9069321 -0.0583810 0.1900724 -0.1040911 4.8876052 9 O -1.9568853 -0.0518464 -0.0521078 -0.1024906 -1.7907078 0.0144713 -0.0079148 -0.0109438 -3.2558422 10 O -2.5208718 0.6675619 0.0376351 0.7231060 -2.6159010 -0.0436573 0.0316707 -0.0954444 -1.8461024 11 O -2.5625938 -0.7081131 -0.0109138 -0.6920698 -2.6020738 -0.0730107 -0.0032313 -0.0212716 -1.8493039 12 O -2.5208718 -0.6675619 0.0376351 -0.7231060 -2.6159010 0.0436573 0.0316707 0.0954444 -1.8461024 13 O -2.5625938 -0.7081131 -0.0109138 -0.6920698 -2.6020738 -0.0730107 -0.0032313 -0.0212716 -1.8493039 14 O -1.9568853 -0.0518464 -0.0521078 -0.1024906 -1.7907078 0.0144713 -0.0079148 -0.0109438 -3.2558422 15 O -2.5625938 0.7081131 -0.0109138 0.6920698 -2.6020738 0.0730107 -0.0032313 0.0212716 -1.8493039 16 O -2.5208718 -0.6675619 0.0376351 -0.7231060 -2.6159010 0.0436573 0.0316707 0.0954444 -1.8461024 17 O -2.5208718 0.6675619 0.0376351 0.7231060 -2.6159010 -0.0436573 0.0316707 -0.0954444 -1.8461024 18 O -1.9568853 0.0518464 -0.0521078 0.1024906 -1.7907078 -0.0144713 -0.0079148 0.0109438 -3.2558422 19 O -1.9568853 0.0518464 -0.0521078 0.1024906 -1.7907078 -0.0144713 -0.0079148 0.0109438 -3.2558422 20 O -2.5625938 0.7081131 -0.0109138 0.6920698 -2.6020738 0.0730107 -0.0032313 0.0212716 -1.8493039 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (zzz) -0.00000004 (zzz) -0.00000004 (zzz) 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 ... [ 11 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 319, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/170) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 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 2.573 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 5.160 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.481 ( 0.000 0.000 0.000) 0.000 7.820 ( 0.000 0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 9.504 ( 0.000 0.000 0.000) 0.000 9.616 ( 0.000 0.000 0.000) 0.000 9.731 ( 0.000 0.000 0.000) 0.000 10.029 ( 0.000 0.000 0.000) 0.000 10.330 ( 0.000 0.000 0.000) 0.000 10.595 ( 0.000 0.000 0.000) 0.000 10.855 ( 0.000 0.000 0.000) 0.000 11.254 ( 0.000 0.000 0.000) 0.000 11.368 ( 0.000 0.000 0.000) 0.000 11.661 ( 0.000 0.000 0.000) 0.000 11.789 ( 0.000 0.000 0.000) 0.000 12.633 ( 0.000 0.000 0.000) 0.000 13.186 ( 0.000 0.000 0.000) 0.000 17.131 ( 0.000 0.000 0.000) 0.000 17.218 ( 0.000 0.000 0.000) 0.000 17.279 ( 0.000 0.000 0.000) 0.000 17.728 ( 0.000 0.000 0.000) 0.000 17.785 ( 0.000 0.000 0.000) 0.000 17.860 ( 0.000 0.000 0.000) 0.000 18.029 ( 0.000 0.000 0.000) 0.000 18.130 ( 0.000 0.000 0.000) 0.000 18.230 ( 0.000 0.000 0.000) 0.000 20.728 ( 0.000 0.000 0.000) 0.000 21.558 ( 0.000 0.000 0.000) 0.000 21.932 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/170) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 23.265 0.000 23.044) 32.746 0.683 ( 28.691 0.000 19.796) 34.858 1.141 ( 47.112 0.000 34.068) 58.139 2.562 ( 2.385 0.000 -7.108) 7.497 2.698 ( -0.438 0.000 -8.929) 8.940 3.013 ( -4.008 0.000 -0.128) 4.010 3.104 ( 5.611 0.000 4.512) 7.200 3.282 ( -13.255 0.000 -1.160) 13.306 3.357 ( 6.383 0.000 -2.941) 7.028 3.372 ( -0.903 0.000 8.398) 8.446 3.611 ( -2.810 0.000 5.791) 6.436 3.715 ( -2.601 0.000 -1.372) 2.940 3.827 ( -1.217 0.000 7.843) 7.937 4.057 ( -12.191 0.000 15.493) 19.714 4.095 ( -3.022 0.000 -5.645) 6.403 4.215 ( 0.763 0.000 -0.154) 0.778 4.400 ( -5.419 0.000 -8.628) 10.189 4.481 ( 4.419 0.000 4.651) 6.416 4.528 ( 12.505 0.000 -1.975) 12.660 4.775 ( 3.806 0.000 4.936) 6.233 5.074 ( -6.450 0.000 -4.895) 8.097 5.359 ( 2.198 0.000 -1.040) 2.431 5.676 ( -0.580 0.000 2.164) 2.240 5.854 ( -5.383 0.000 -2.177) 5.807 5.900 ( 1.872 0.000 0.050) 1.872 6.243 ( 3.703 0.000 1.606) 4.036 6.285 ( -7.916 0.000 -1.408) 8.040 6.995 ( -0.839 0.000 -4.717) 4.791 7.232 ( -2.876 0.000 2.386) 3.737 7.398 ( -2.168 0.000 -1.537) 2.657 7.475 ( -0.141 0.000 -1.140) 1.148 7.856 ( 3.097 0.000 2.546) 4.009 7.867 ( 0.282 0.000 -3.434) 3.445 8.084 ( 5.513 0.000 2.532) 6.067 8.953 ( 8.156 0.000 2.150) 8.435 9.473 ( -4.441 0.000 -2.420) 5.058 9.606 ( -1.020 0.000 -0.313) 1.067 9.775 ( 5.016 0.000 -1.444) 5.220 10.134 ( -6.669 0.000 11.930) 13.668 10.568 ( -2.100 0.000 -1.624) 2.655 10.827 ( -1.881 0.000 2.503) 3.131 11.192 ( -8.921 0.000 2.925) 9.388 11.352 ( -1.404 0.000 -2.108) 2.533 11.645 ( -2.962 0.000 0.704) 3.045 11.855 ( 7.961 0.000 0.849) 8.007 12.666 ( 6.215 0.000 -3.228) 7.003 13.164 ( 17.079 0.000 -21.183) 27.210 13.179 ( 0.202 0.000 -1.526) 1.539 16.995 ( -14.070 0.000 -0.911) 14.100 17.080 ( -14.822 0.000 -0.341) 14.826 17.162 ( -10.855 0.000 -2.750) 11.197 17.705 ( -5.584 0.000 -12.485) 13.677 17.852 ( 11.474 0.000 1.239) 11.541 17.945 ( 7.807 0.000 2.229) 8.119 18.104 ( -0.576 0.000 2.732) 2.792 18.214 ( 0.049 0.000 11.604) 11.604 20.848 ( 9.646 0.000 6.039) 11.381 21.116 ( 4.457 0.000 -4.173) 6.105 21.558 ( -0.593 0.000 0.776) 0.977 21.930 ( -0.430 0.000 0.245) 0.495 ======================= Grid point 2 (3/170) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 20.295 0.000 20.252) 28.671 1.322 ( 25.800 0.000 18.244) 31.598 2.172 ( 36.869 0.000 26.676) 45.508 2.449 ( -2.483 0.000 -12.771) 13.011 2.618 ( 4.974 0.000 -7.771) 9.227 2.972 ( -4.559 0.000 1.146) 4.701 3.042 ( -12.446 0.000 1.268) 12.510 3.194 ( 2.341 0.000 0.583) 2.413 3.377 ( 2.018 0.000 -0.494) 2.078 3.593 ( 3.398 0.000 9.576) 10.161 3.627 ( -3.579 0.000 3.371) 4.917 3.651 ( 5.609 0.000 -2.411) 6.105 3.871 ( -5.814 0.000 5.526) 8.021 3.900 ( -16.471 0.000 -2.144) 16.610 4.035 ( 1.987 0.000 0.119) 1.991 4.190 ( -4.574 0.000 4.023) 6.091 4.299 ( -1.795 0.000 3.467) 3.904 4.631 ( 10.110 0.000 2.447) 10.402 4.725 ( 14.659 0.000 -4.136) 15.232 4.896 ( -8.820 0.000 -3.367) 9.441 4.929 ( 6.516 0.000 6.244) 9.025 5.391 ( 4.032 0.000 -1.240) 4.218 5.628 ( -6.832 0.000 -9.217) 11.473 5.718 ( -4.179 0.000 0.071) 4.180 5.923 ( 0.723 0.000 0.168) 0.742 6.151 ( -7.700 0.000 0.665) 7.728 6.333 ( 1.830 0.000 4.920) 5.249 6.891 ( -5.736 0.000 -5.066) 7.653 7.190 ( -5.265 0.000 2.017) 5.638 7.337 ( -2.059 0.000 -2.986) 3.627 7.446 ( -0.953 0.000 -2.815) 2.972 7.790 ( -2.919 0.000 -7.247) 7.813 7.982 ( 6.462 0.000 6.648) 9.272 8.221 ( 8.185 0.000 1.463) 8.314 9.155 ( 12.770 0.000 2.988) 13.115 9.406 ( -0.227 0.000 -1.496) 1.513 9.584 ( -1.019 0.000 -0.103) 1.024 9.833 ( 5.059 0.000 -2.536) 5.659 10.170 ( -1.570 0.000 6.192) 6.388 10.510 ( -1.571 0.000 -2.508) 2.959 10.813 ( -4.921 0.000 4.270) 6.515 11.061 ( -10.940 0.000 1.912) 11.106 11.275 ( -5.758 0.000 -0.927) 5.832 11.582 ( -5.059 0.000 -0.509) 5.085 12.044 ( 12.722 0.000 2.870) 13.042 12.739 ( 9.013 0.000 -6.604) 11.174 13.165 ( 0.391 0.000 -1.138) 1.203 13.209 ( 8.672 0.000 -7.969) 11.777 16.737 ( -16.639 0.000 -0.309) 16.642 16.809 ( -17.921 0.000 -0.627) 17.932 16.929 ( -12.897 0.000 -4.202) 13.564 17.344 ( -14.086 0.000 -20.521) 24.890 18.051 ( 11.256 0.000 1.153) 11.315 18.109 ( 6.311 0.000 7.322) 9.666 18.209 ( 7.361 0.000 3.271) 8.055 18.357 ( 3.460 0.000 8.256) 8.951 21.102 ( 12.503 0.000 5.617) 13.707 21.151 ( 6.003 0.000 -4.515) 7.512 21.561 ( -1.220 0.000 2.844) 3.094 21.920 ( -1.142 0.000 0.068) 1.144 ======================= Grid point 3 (4/170) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 13.744 0.000 15.879) 21.001 1.882 ( 21.205 0.000 15.615) 26.334 2.277 ( -0.955 0.000 -9.692) 9.739 2.450 ( 0.960 0.000 -6.632) 6.701 2.750 ( -13.829 0.000 -2.936) 14.138 2.943 ( 14.057 0.000 1.880) 14.182 3.069 ( 0.888 0.000 6.880) 6.938 3.198 ( -1.158 0.000 -3.112) 3.321 3.365 ( -10.365 0.000 3.312) 10.881 3.509 ( -3.023 0.000 4.602) 5.506 3.532 ( -9.913 0.000 -0.845) 9.949 3.739 ( -8.148 0.000 -6.355) 10.333 3.768 ( 12.041 0.000 3.103) 12.435 4.036 ( 23.626 0.000 8.197) 25.008 4.131 ( 6.607 0.000 -0.892) 6.667 4.238 ( -3.337 0.000 16.866) 17.193 4.315 ( -3.961 0.000 3.471) 5.266 4.785 ( -4.490 0.000 4.959) 6.690 4.809 ( 7.393 0.000 3.193) 8.053 4.901 ( 16.602 0.000 -7.729) 18.313 5.052 ( 4.420 0.000 -0.317) 4.432 5.354 ( -10.071 0.000 -11.142) 15.018 5.480 ( 6.781 0.000 1.457) 6.936 5.664 ( -4.107 0.000 -1.370) 4.330 5.932 ( -0.144 0.000 1.354) 1.362 6.059 ( -5.348 0.000 0.827) 5.412 6.354 ( -9.419 0.000 8.025) 12.374 6.698 ( -10.644 0.000 -6.900) 12.684 7.139 ( -2.934 0.000 1.430) 3.264 7.276 ( -0.702 0.000 -3.700) 3.766 7.376 ( -2.726 0.000 -5.406) 6.054 7.628 ( -5.102 0.000 -8.960) 10.311 8.186 ( 8.123 0.000 8.334) 11.638 8.354 ( 6.556 0.000 1.211) 6.667 9.343 ( 5.496 0.000 -0.333) 5.506 9.444 ( 5.070 0.000 0.887) 5.147 9.624 ( 6.853 0.000 3.524) 7.706 9.882 ( 5.564 0.000 -3.449) 6.546 10.216 ( -0.330 0.000 4.548) 4.560 10.497 ( 3.327 0.000 -1.092) 3.502 10.762 ( -7.072 0.000 3.745) 8.002 10.888 ( -11.683 0.000 -1.285) 11.753 11.171 ( -7.032 0.000 1.169) 7.128 11.481 ( -6.033 0.000 -1.535) 6.226 12.293 ( 13.628 0.000 3.672) 14.114 12.770 ( 5.440 0.000 -9.408) 10.868 13.185 ( 2.570 0.000 1.053) 2.777 13.252 ( 4.403 0.000 -3.292) 5.497 16.490 ( -14.341 0.000 0.230) 14.343 16.530 ( -16.041 0.000 -0.840) 16.063 16.691 ( -11.142 0.000 -4.052) 11.856 16.894 ( -13.128 0.000 -19.988) 23.914 18.217 ( 8.095 0.000 1.122) 8.173 18.299 ( 6.093 0.000 8.868) 10.760 18.358 ( 6.625 0.000 3.073) 7.304 18.489 ( 3.170 0.000 5.992) 6.779 21.202 ( 6.435 0.000 -4.180) 7.674 21.293 ( 7.851 0.000 -2.638) 8.282 21.613 ( 0.833 0.000 8.755) 8.794 21.894 ( -1.948 0.000 -0.393) 1.987 ======================= Grid point 4 (5/170) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 0.950 0.000 8.951) 9.001 2.162 ( 4.711 0.000 -4.263) 6.353 2.380 ( 0.011 0.000 -6.367) 6.367 2.400 ( 15.571 0.000 12.189) 19.774 2.549 ( -7.502 0.000 -0.375) 7.511 2.886 ( -3.630 0.000 -6.495) 7.440 3.081 ( -3.849 0.000 -6.484) 7.540 3.102 ( -9.318 0.000 4.470) 10.334 3.294 ( -3.813 0.000 0.711) 3.878 3.371 ( -3.368 0.000 -2.863) 4.421 3.516 ( -8.931 0.000 -8.710) 12.475 3.562 ( 1.343 0.000 5.602) 5.761 4.183 ( 22.365 0.000 6.584) 23.314 4.198 ( -6.959 0.000 -2.353) 7.346 4.216 ( 7.047 0.000 -2.334) 7.423 4.373 ( -3.439 0.000 14.307) 14.714 4.598 ( 24.506 0.000 15.919) 29.223 4.860 ( 2.068 0.000 9.601) 9.821 4.889 ( -0.703 0.000 1.140) 1.340 5.084 ( 13.079 0.000 -3.526) 13.546 5.128 ( 13.598 0.000 -7.003) 15.296 5.136 ( -4.792 0.000 -3.281) 5.807 5.547 ( -6.839 0.000 -3.927) 7.886 5.572 ( 2.615 0.000 -0.533) 2.668 5.956 ( -1.357 0.000 3.445) 3.702 5.997 ( -2.706 0.000 -0.656) 2.784 6.230 ( -16.042 0.000 9.484) 18.636 6.404 ( -15.221 0.000 -9.585) 17.988 7.117 ( -1.401 0.000 -0.367) 1.449 7.224 ( -6.051 0.000 -8.741) 10.631 7.250 ( 1.174 0.000 -1.346) 1.786 7.489 ( -2.474 0.000 -4.341) 4.996 8.390 ( 6.710 0.000 6.279) 9.189 8.449 ( 4.013 0.000 0.920) 4.117 9.333 ( -1.205 0.000 -2.782) 3.031 9.556 ( 5.863 0.000 2.209) 6.265 9.855 ( 12.557 0.000 6.605) 14.188 9.939 ( 7.363 0.000 -4.209) 8.481 10.250 ( -1.719 0.000 3.962) 4.319 10.595 ( 8.151 0.000 1.106) 8.226 10.666 ( -12.608 0.000 -4.241) 13.302 10.682 ( -6.951 0.000 2.283) 7.316 11.088 ( -5.842 0.000 2.045) 6.190 11.371 ( -5.238 0.000 -1.756) 5.524 12.528 ( 10.974 0.000 3.059) 11.393 12.714 ( 0.833 0.000 -8.312) 8.354 13.254 ( 3.543 0.000 1.594) 3.885 13.269 ( 1.064 0.000 -1.271) 1.657 16.304 ( -10.572 0.000 -0.425) 10.580 16.304 ( -10.101 0.000 -0.053) 10.101 16.505 ( -7.355 0.000 -2.909) 7.910 16.533 ( -8.133 0.000 -14.185) 16.351 18.327 ( 4.618 0.000 0.873) 4.700 18.460 ( 6.074 0.000 0.495) 6.095 18.491 ( 2.480 0.000 9.420) 9.741 18.585 ( 2.118 0.000 3.690) 4.255 21.256 ( 5.144 0.000 -2.917) 5.914 21.307 ( 1.830 0.000 -5.715) 6.000 21.751 ( 2.902 0.000 8.347) 8.837 21.855 ( -2.149 0.000 -0.621) 2.237 ======================= Grid point 5 (6/170) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -4.058 0.000 1.883) 4.474 2.165 ( 0.786 0.000 -2.271) 2.403 2.323 ( -0.114 0.000 -2.826) 2.828 2.548 ( 7.030 0.000 1.378) 7.164 2.701 ( 0.021 0.000 6.589) 6.589 2.869 ( 3.721 0.000 0.581) 3.766 2.943 ( -4.813 0.000 3.640) 6.034 2.959 ( -3.489 0.000 -4.559) 5.741 3.243 ( -2.103 0.000 -0.363) 2.134 3.244 ( -6.487 0.000 -10.846) 12.638 3.407 ( 0.444 0.000 1.648) 1.706 3.648 ( 1.963 0.000 3.217) 3.768 4.071 ( -4.357 0.000 -1.826) 4.724 4.289 ( 3.750 0.000 -1.083) 3.904 4.430 ( -2.285 0.000 5.085) 5.575 4.499 ( 12.111 0.000 -0.175) 12.112 4.811 ( -5.283 0.000 4.763) 7.113 4.862 ( -1.578 0.000 -0.207) 1.591 5.087 ( 7.711 0.000 3.463) 8.453 5.187 ( 2.319 0.000 1.778) 2.922 5.295 ( 13.506 0.000 4.178) 14.137 5.318 ( 16.604 0.000 -8.222) 18.529 5.412 ( -3.161 0.000 7.176) 7.841 5.557 ( -2.558 0.000 -0.466) 2.600 5.892 ( -9.775 0.000 4.180) 10.631 5.949 ( -0.438 0.000 -7.765) 7.777 6.039 ( -15.499 0.000 -5.239) 16.360 6.165 ( -2.364 0.000 3.951) 4.604 7.060 ( -3.457 0.000 -4.362) 5.566 7.089 ( -0.689 0.000 -0.794) 1.051 7.265 ( 0.755 0.000 0.165) 0.773 7.440 ( -0.526 0.000 -1.119) 1.236 8.498 ( 1.346 0.000 0.357) 1.393 8.510 ( 2.359 0.000 2.121) 3.172 9.296 ( -0.332 0.000 -1.144) 1.191 9.643 ( 2.161 0.000 1.210) 2.477 10.015 ( 6.005 0.000 -2.739) 6.600 10.128 ( 12.536 0.000 7.077) 14.395 10.242 ( -3.249 0.000 2.445) 4.066 10.405 ( -12.759 0.000 -6.417) 14.282 10.616 ( -2.840 0.000 0.681) 2.920 10.723 ( 4.750 0.000 0.926) 4.839 11.036 ( -2.720 0.000 1.158) 2.956 11.295 ( -2.151 0.000 -0.803) 2.296 12.646 ( -0.327 0.000 -3.377) 3.393 12.679 ( 4.493 0.000 1.228) 4.658 13.264 ( -0.276 0.000 -0.357) 0.451 13.310 ( 1.492 0.000 0.672) 1.636 16.176 ( -3.982 0.000 -0.419) 4.004 16.204 ( -3.356 0.000 0.162) 3.360 16.342 ( -2.610 0.000 -5.045) 5.680 16.404 ( -2.554 0.000 -1.065) 2.767 18.382 ( 1.473 0.000 0.335) 1.511 18.522 ( 1.898 0.000 0.016) 1.898 18.600 ( 1.084 0.000 3.951) 4.097 18.635 ( 0.749 0.000 1.256) 1.463 21.271 ( 0.165 0.000 -2.552) 2.557 21.292 ( 2.035 0.000 -1.042) 2.286 21.823 ( -1.008 0.000 -0.303) 1.053 21.850 ( 1.230 0.000 3.036) 3.276 ======================= Grid point 11 (7/170) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.000 32.991 0.000) 32.991 0.707 ( 0.000 36.290 0.000) 36.290 1.114 ( 0.000 56.666 0.000) 56.666 2.641 ( 0.000 6.580 0.000) 6.580 2.713 ( 0.000 -4.106 0.000) 4.106 2.976 ( 0.000 -2.548 0.000) 2.548 3.103 ( 0.000 -1.080 0.000) 1.080 3.320 ( 0.000 1.064 0.000) 1.064 3.370 ( 0.000 1.376 0.000) 1.376 3.424 ( 0.000 2.271 0.000) 2.271 3.664 ( 0.000 -5.314 0.000) 5.314 3.677 ( 0.000 0.371 0.000) 0.371 3.766 ( 0.000 -9.664 0.000) 9.664 3.840 ( 0.000 4.221 0.000) 4.221 4.067 ( 0.000 -8.265 0.000) 8.265 4.368 ( 0.000 6.564 0.000) 6.564 4.418 ( 0.000 -9.780 0.000) 9.780 4.438 ( 0.000 6.067 0.000) 6.067 4.614 ( 0.000 14.373 0.000) 14.373 4.781 ( 0.000 6.400 0.000) 6.400 5.154 ( 0.000 -0.419 0.000) 0.419 5.528 ( 0.000 -0.571 0.000) 0.571 5.640 ( 0.000 -1.196 0.000) 1.196 5.702 ( 0.000 6.376 0.000) 6.376 5.945 ( 0.000 -2.952 0.000) 2.952 6.153 ( 0.000 -3.516 0.000) 3.516 6.367 ( 0.000 -0.759 0.000) 0.759 6.873 ( 0.000 0.440 0.000) 0.440 7.266 ( 0.000 -0.605 0.000) 0.605 7.462 ( 0.000 -0.973 0.000) 0.973 7.577 ( 0.000 8.460 0.000) 8.460 7.689 ( 0.000 -8.873 0.000) 8.873 7.944 ( 0.000 1.683 0.000) 1.683 8.049 ( 0.000 12.058 0.000) 12.058 9.074 ( 0.000 1.655 0.000) 1.655 9.459 ( 0.000 -4.293 0.000) 4.293 9.735 ( 0.000 0.426 0.000) 0.426 10.034 ( 0.000 0.356 0.000) 0.356 10.341 ( 0.000 1.356 0.000) 1.356 10.652 ( 0.000 4.662 0.000) 4.662 10.820 ( 0.000 -2.514 0.000) 2.514 11.182 ( 0.000 -3.645 0.000) 3.645 11.433 ( 0.000 6.635 0.000) 6.635 11.629 ( 0.000 -3.396 0.000) 3.396 11.760 ( 0.000 -3.035 0.000) 3.035 12.314 ( 0.000 1.419 0.000) 1.419 12.662 ( 0.000 2.800 0.000) 2.800 13.277 ( 0.000 -4.015 0.000) 4.015 17.080 ( 0.000 -12.460 0.000) 12.460 17.083 ( 0.000 -7.892 0.000) 7.892 17.196 ( 0.000 -4.101 0.000) 4.101 17.707 ( 0.000 -3.185 0.000) 3.185 17.822 ( 0.000 0.665 0.000) 0.665 18.025 ( 0.000 -0.753 0.000) 0.753 18.187 ( 0.000 8.956 0.000) 8.956 18.294 ( 0.000 6.536 0.000) 6.536 20.810 ( 0.000 8.284 0.000) 8.284 21.072 ( 0.000 0.449 0.000) 0.449 21.543 ( 0.000 -1.617 0.000) 1.617 21.940 ( 0.000 0.673 0.000) 0.673 ======================= Grid point 12 (8/170) ======================= q-point: ( 0.09 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 15.292 21.457 12.511) 29.168 0.896 ( 13.210 21.968 20.570) 32.867 1.641 ( 35.465 40.333 21.525) 57.861 2.619 ( 1.437 4.576 -8.435) 9.703 2.685 ( 0.457 -0.717 -4.350) 4.432 2.994 ( -1.125 -4.736 1.564) 5.113 3.047 ( -2.128 -2.964 -1.738) 4.042 3.298 ( -8.501 1.614 0.159) 8.654 3.336 ( -1.752 -0.977 1.586) 2.558 3.422 ( 5.603 4.097 0.685) 6.975 3.646 ( -1.636 -2.956 0.857) 3.485 3.671 ( -2.937 0.503 3.784) 4.816 3.814 ( -4.218 -2.056 6.970) 8.402 3.863 ( -4.689 -10.900 6.670) 13.612 4.043 ( -3.110 -3.892 1.133) 5.109 4.234 ( -3.237 1.217 2.517) 4.277 4.429 ( -0.885 5.445 -2.406) 6.018 4.579 ( 6.062 1.733 1.523) 6.487 4.668 ( 7.629 11.976 -2.185) 14.366 4.839 ( 4.390 5.912 1.926) 7.612 5.032 ( -7.172 -0.978 -3.230) 7.927 5.448 ( 0.518 5.583 -5.234) 7.670 5.651 ( -0.564 -2.208 -0.629) 2.364 5.828 ( 3.143 1.129 -2.203) 4.001 5.929 ( 2.175 -1.257 -1.497) 2.924 6.177 ( 1.416 -4.130 0.514) 4.396 6.315 ( -4.945 0.054 -0.468) 4.968 6.856 ( -3.783 -6.648 3.133) 8.266 7.249 ( -3.549 -0.497 1.412) 3.851 7.417 ( -2.570 -0.123 -1.165) 2.824 7.539 ( -2.086 6.845 -2.266) 7.506 7.787 ( 6.580 -3.805 4.514) 8.840 7.945 ( -1.021 5.094 -1.909) 5.535 8.123 ( 7.169 5.886 1.621) 9.417 9.052 ( 2.161 4.719 -0.760) 5.246 9.442 ( -2.811 -3.023 -0.084) 4.129 9.672 ( -2.178 1.466 -3.860) 4.668 9.941 ( -0.589 12.391 -10.152) 16.030 10.166 ( -10.802 3.507 10.889) 15.734 10.615 ( -2.912 4.435 -1.666) 5.561 10.787 ( -1.256 -3.437 1.676) 4.024 11.169 ( -7.211 -2.816 3.434) 8.468 11.368 ( -3.177 2.271 -4.445) 5.917 11.632 ( -2.916 -2.062 1.506) 3.875 11.848 ( 9.131 -0.430 2.056) 9.369 12.693 ( 7.065 1.765 -3.178) 7.946 12.761 ( 24.286 -17.041 3.044) 29.824 13.238 ( -0.475 -2.653 -4.742) 5.455 16.918 ( -11.871 -4.344 -6.534) 14.230 17.059 ( -6.290 -7.698 -6.692) 11.984 17.178 ( 0.746 -3.510 -0.568) 3.633 17.706 ( 2.504 -4.356 -10.821) 11.931 17.827 ( -4.046 5.412 -1.775) 6.986 18.025 ( 4.767 2.523 4.679) 7.140 18.115 ( -8.041 3.960 2.271) 9.247 18.253 ( -1.606 4.725 10.412) 11.546 20.907 ( 7.523 6.610 5.380) 11.368 21.128 ( 5.638 0.470 -1.825) 5.944 21.540 ( -0.984 -1.877 0.900) 2.302 21.935 ( -0.956 0.296 0.347) 1.059 ======================= Grid point 13 (9/170) ======================= q-point: ( 0.18 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 22.191 8.416 14.824) 27.983 1.373 ( 16.317 9.035 21.628) 28.560 2.450 ( 30.194 25.384 19.670) 44.078 2.483 ( -2.550 2.366 -12.472) 12.948 2.648 ( 4.472 3.065 -5.309) 7.588 2.954 ( -7.064 -3.416 -0.048) 7.847 2.998 ( -3.785 -4.061 1.729) 5.815 3.171 ( -3.488 -0.956 -0.247) 3.625 3.362 ( 2.023 -0.065 2.982) 3.604 3.581 ( -5.659 -3.230 2.000) 6.816 3.615 ( 13.669 -2.905 1.320) 14.037 3.650 ( -3.734 0.759 0.722) 3.878 3.736 ( -8.789 -9.967 -2.325) 13.491 3.929 ( -1.309 -0.313 13.271) 13.339 3.948 ( -9.248 -2.585 -2.512) 9.925 4.208 ( -6.636 1.740 8.168) 10.667 4.407 ( 1.672 8.344 1.581) 8.655 4.724 ( 8.276 4.985 3.323) 10.217 4.749 ( 4.901 3.569 -4.555) 7.583 4.926 ( 2.296 4.547 -4.212) 6.610 4.969 ( 5.381 4.110 4.553) 8.159 5.428 ( 3.016 3.570 -3.012) 5.560 5.605 ( -4.375 -3.943 -2.856) 6.546 5.713 ( -4.628 1.817 -8.534) 9.876 5.971 ( 0.886 3.319 0.632) 3.493 6.143 ( -5.139 -0.820 0.434) 5.222 6.293 ( -1.282 -4.778 3.789) 6.232 6.806 ( -5.173 -7.525 -0.914) 9.177 7.190 ( -4.672 -0.409 1.026) 4.801 7.383 ( -1.037 1.776 -0.622) 2.149 7.470 ( -2.400 5.492 -3.743) 7.066 7.846 ( -3.545 5.510 -6.844) 9.475 7.974 ( 7.416 -0.364 6.961) 10.178 8.263 ( 7.940 4.178 1.481) 9.094 9.170 ( 10.450 1.259 2.294) 10.773 9.402 ( -0.474 -0.466 -0.215) 0.698 9.629 ( -1.304 2.376 -0.324) 2.730 9.881 ( 2.674 6.417 -5.122) 8.635 10.174 ( -2.192 0.268 6.407) 6.777 10.542 ( -2.228 3.056 -2.969) 4.809 10.789 ( -3.161 -2.078 4.008) 5.511 11.052 ( -10.894 -1.105 1.885) 11.111 11.261 ( -5.174 -1.192 -2.504) 5.871 11.571 ( -5.219 -1.629 -0.485) 5.489 12.060 ( 12.694 1.810 4.131) 13.471 12.768 ( 8.794 2.702 -6.376) 11.193 13.032 ( 10.385 -10.259 -0.177) 14.599 13.191 ( 1.629 -2.921 -4.312) 5.457 16.656 ( -11.978 -2.817 -5.534) 13.492 16.831 ( -10.660 -3.743 -7.714) 13.680 17.054 ( -14.952 11.202 0.393) 18.687 17.450 ( -12.225 8.762 -17.466) 23.049 17.856 ( 9.178 -10.916 -0.154) 14.263 18.118 ( 3.245 -5.727 5.052) 8.298 18.220 ( 7.527 2.409 6.537) 10.256 18.384 ( 2.570 2.513 9.572) 10.225 21.094 ( 7.296 1.606 2.964) 8.037 21.211 ( 8.926 3.303 -1.677) 9.664 21.537 ( -1.914 -2.421 3.370) 4.570 21.915 ( -1.889 -0.663 0.069) 2.003 ======================= Grid point 14 (10/170) ======================= q-point: ( 0.27 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 11.917 6.732 14.353) 19.833 1.874 ( 19.544 -0.127 16.489) 25.571 2.317 ( -1.073 3.694 -9.301) 10.065 2.528 ( -0.076 6.543 -7.740) 10.135 2.740 ( -13.359 -1.381 -2.350) 13.634 2.993 ( 8.632 3.876 -0.846) 9.500 3.044 ( 1.760 -2.555 2.904) 4.250 3.154 ( -0.335 -2.796 0.069) 2.817 3.368 ( -11.796 -0.501 -0.142) 11.807 3.467 ( -6.675 -2.591 1.468) 7.309 3.548 ( -5.912 -0.769 0.403) 5.976 3.672 ( 0.422 -1.985 1.124) 2.319 3.815 ( 7.145 0.334 0.897) 7.209 3.941 ( 16.651 -7.669 5.852) 19.244 4.050 ( 6.228 -3.294 7.249) 10.108 4.286 ( -2.887 4.105 17.983) 18.670 4.452 ( -0.521 10.186 -0.555) 10.214 4.729 ( 0.219 -1.318 2.288) 2.649 4.867 ( 3.571 3.901 2.840) 6.003 5.019 ( 12.472 9.024 -5.052) 16.202 5.062 ( 4.899 1.872 -1.874) 5.569 5.417 ( -6.457 3.164 -7.163) 10.149 5.511 ( 5.069 3.252 1.397) 6.183 5.588 ( -3.534 -4.427 -4.376) 7.158 5.958 ( -2.774 2.288 1.236) 3.803 6.088 ( -3.224 1.379 1.092) 3.673 6.272 ( -9.389 -7.930 6.448) 13.878 6.652 ( -9.790 -4.709 -5.920) 12.372 7.155 ( -1.032 0.300 0.846) 1.368 7.346 ( -1.308 7.557 -4.187) 8.738 7.395 ( -2.137 2.600 -2.062) 3.947 7.675 ( -5.593 5.145 -9.337) 12.039 8.191 ( 8.565 0.540 8.737) 12.247 8.394 ( 6.408 3.843 1.352) 7.593 9.345 ( 5.865 0.201 0.271) 5.874 9.439 ( 4.235 -0.496 1.445) 4.502 9.643 ( 4.051 1.019 2.810) 5.034 9.891 ( 4.393 1.981 -3.658) 6.050 10.217 ( -0.416 0.147 4.577) 4.599 10.512 ( 2.642 1.508 -1.836) 3.553 10.764 ( -5.368 0.241 3.168) 6.237 10.877 ( -11.195 -1.034 -1.512) 11.344 11.161 ( -6.214 -1.091 0.703) 6.348 11.468 ( -5.992 -1.618 -1.637) 6.418 12.315 ( 13.117 2.321 4.512) 14.064 12.796 ( 4.792 2.441 -8.756) 10.276 13.139 ( 4.625 -4.678 0.571) 6.603 13.207 ( 4.231 -3.957 -2.373) 6.260 16.439 ( -8.754 -0.451 -3.918) 9.602 16.592 ( -8.791 0.027 -6.799) 11.113 16.795 ( -16.573 13.395 -0.284) 21.312 17.044 ( -14.754 13.369 -15.104) 24.991 18.032 ( 11.761 -13.299 0.398) 17.758 18.264 ( 5.988 -7.423 6.425) 11.499 18.377 ( 4.334 1.528 4.855) 6.685 18.519 ( 2.518 2.196 6.954) 7.715 21.184 ( 5.250 -0.618 -1.977) 5.644 21.325 ( 6.472 1.813 -4.387) 8.026 21.587 ( 0.429 -2.533 9.239) 9.590 21.876 ( -2.739 -1.949 -0.503) 3.399 ======================= Grid point 15 (11/170) ======================= q-point: ( 0.36 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.120 2.901 8.227) 8.724 2.207 ( 4.404 4.205 -1.758) 6.338 2.374 ( 13.658 -1.259 10.108) 17.039 2.455 ( 1.255 5.937 -6.076) 8.587 2.549 ( -7.428 -0.089 -0.140) 7.430 2.909 ( -4.204 1.937 -6.402) 7.900 3.018 ( -2.480 -5.652 -3.604) 7.148 3.119 ( -9.919 1.007 1.339) 10.059 3.234 ( -3.338 -5.867 -2.728) 7.281 3.348 ( -2.235 -1.245 -1.193) 2.823 3.517 ( -8.224 0.850 -6.556) 10.552 3.546 ( -0.045 -2.793 4.222) 5.062 4.078 ( 2.927 -5.164 3.443) 6.863 4.164 ( 20.170 -4.094 1.815) 20.661 4.348 ( -2.102 2.187 1.545) 3.404 4.427 ( -1.211 9.483 7.569) 12.194 4.543 ( 20.258 -2.201 18.939) 27.819 4.817 ( -1.615 -2.218 1.275) 3.025 4.867 ( 2.976 0.879 1.472) 3.435 5.110 ( 3.159 -0.887 2.188) 3.944 5.192 ( 11.971 4.751 -5.255) 13.910 5.297 ( -0.365 11.832 -0.668) 11.857 5.457 ( -1.866 -3.761 -7.680) 8.752 5.590 ( -0.757 0.620 0.475) 1.088 5.973 ( 0.964 1.909 2.689) 3.436 6.014 ( -9.275 -2.235 3.279) 10.089 6.182 ( -7.691 -1.868 4.632) 9.170 6.382 ( -13.705 -2.444 -8.335) 16.226 7.140 ( -1.507 -1.261 -2.767) 3.394 7.256 ( -2.311 10.415 -4.384) 11.534 7.362 ( -1.099 6.512 -0.080) 6.604 7.512 ( -3.126 3.526 -6.171) 7.765 8.409 ( 7.292 1.626 6.783) 10.091 8.489 ( 3.898 3.815 1.192) 5.583 9.335 ( -1.960 0.273 -2.912) 3.520 9.542 ( 4.870 -1.475 2.517) 5.677 9.830 ( 11.259 -2.834 5.072) 12.670 9.932 ( 5.092 -0.323 -2.308) 5.599 10.256 ( -0.472 0.791 3.682) 3.795 10.584 ( 4.796 -0.628 1.172) 4.977 10.635 ( -9.166 -1.680 -5.351) 10.746 10.737 ( -5.680 3.818 1.850) 7.089 11.082 ( -5.520 -0.662 1.763) 5.832 11.360 ( -4.879 -1.218 -1.756) 5.326 12.550 ( 10.417 2.194 3.649) 11.254 12.740 ( 0.529 2.544 -7.455) 7.895 13.216 ( 4.050 -3.728 0.677) 5.546 13.236 ( 1.726 -3.175 -1.207) 3.810 16.305 ( -3.540 3.364 -2.512) 5.492 16.423 ( -4.594 4.985 -4.506) 8.140 16.553 ( -12.671 10.862 -1.543) 16.761 16.695 ( -11.939 14.218 -9.189) 20.715 18.209 ( 9.640 -10.440 0.443) 14.217 18.415 ( 4.630 -6.913 3.987) 9.226 18.471 ( 1.918 -0.206 4.797) 5.170 18.606 ( 0.474 1.014 4.345) 4.487 21.236 ( 4.405 -1.203 -2.424) 5.170 21.322 ( 1.195 0.619 -4.641) 4.832 21.716 ( 2.282 -3.575 7.849) 8.922 21.823 ( -2.784 -3.272 -0.797) 4.370 ======================= Grid point 16 (12/170) ======================= q-point: ( 0.45 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -3.441 3.189 2.081) 5.132 2.192 ( -0.790 2.581 -2.162) 3.458 2.399 ( -0.007 6.831 -2.717) 7.351 2.561 ( 7.738 1.455 1.638) 8.043 2.688 ( 3.488 -1.549 8.132) 8.983 2.868 ( 1.414 -0.369 -0.659) 1.603 2.882 ( -6.633 -3.747 -2.785) 8.112 2.975 ( -3.534 0.118 0.659) 3.597 3.131 ( -3.762 -8.089 -5.824) 10.654 3.328 ( -3.392 4.977 -4.927) 7.782 3.385 ( 0.543 -1.544 1.799) 2.432 3.599 ( 0.924 -4.510 2.319) 5.155 4.101 ( -1.486 2.584 0.545) 3.030 4.351 ( 4.610 3.109 -0.965) 5.643 4.426 ( 1.339 -3.418 1.802) 4.089 4.472 ( 6.894 1.434 1.402) 7.180 4.713 ( -6.948 -5.368 1.435) 8.896 4.908 ( 4.122 1.600 5.525) 7.077 5.011 ( 8.645 -5.294 -0.165) 10.139 5.150 ( -4.926 -11.366 -1.494) 12.477 5.276 ( 2.437 4.671 1.290) 5.424 5.355 ( 11.343 4.271 5.299) 13.229 5.495 ( 6.543 7.330 0.769) 9.855 5.544 ( -1.605 -3.006 -1.371) 3.673 5.828 ( -12.005 -0.867 4.531) 12.861 5.982 ( -6.542 0.941 -13.362) 14.908 6.116 ( 0.803 3.811 2.354) 4.551 6.178 ( -5.093 2.890 2.563) 6.392 7.050 ( -2.428 -0.157 -3.481) 4.247 7.209 ( -0.835 11.763 -0.636) 11.810 7.355 ( -0.095 8.323 0.172) 8.325 7.445 ( -0.472 0.996 -1.771) 2.086 8.533 ( 1.882 3.361 0.881) 3.951 8.549 ( 2.124 3.421 2.004) 4.498 9.284 ( -0.830 -1.039 -1.283) 1.848 9.620 ( 1.883 -2.326 1.282) 3.256 9.966 ( 3.758 -4.674 -2.010) 6.326 10.075 ( 8.547 -4.558 5.718) 11.248 10.283 ( 0.164 3.113 2.360) 3.910 10.400 ( -10.127 -0.414 -5.400) 11.484 10.643 ( -1.061 2.556 0.283) 2.782 10.726 ( 2.561 0.650 0.395) 2.672 11.032 ( -2.563 -0.483 1.102) 2.831 11.290 ( -1.920 -0.616 -0.784) 2.164 12.674 ( -0.194 2.804 -1.990) 3.444 12.703 ( 4.119 2.366 0.499) 4.776 13.236 ( -0.097 -2.729 -0.352) 2.753 13.270 ( 1.690 -3.909 0.174) 4.262 16.278 ( 2.374 8.348 -0.760) 8.712 16.347 ( -3.768 13.217 0.622) 13.757 16.379 ( -4.197 4.355 -3.924) 7.210 16.488 ( -5.730 11.312 -2.237) 12.876 18.327 ( 4.377 -5.860 0.180) 7.316 18.465 ( 0.064 -5.852 0.496) 5.874 18.567 ( 3.073 -2.820 3.559) 5.483 18.625 ( -1.726 -1.315 0.866) 2.337 21.258 ( 1.447 -0.890 -1.954) 2.589 21.300 ( 0.388 0.407 -0.890) 1.053 21.782 ( -1.237 -4.239 -0.356) 4.431 21.803 ( 0.896 -4.812 2.758) 5.618 ======================= Grid point 22 (13/170) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 30.724 0.000) 30.724 1.359 ( 0.000 32.003 0.000) 32.003 2.084 ( 0.000 42.463 0.000) 42.463 2.615 ( 0.000 -4.835 0.000) 4.835 2.779 ( 0.000 6.496 0.000) 6.496 2.927 ( 0.000 -0.950 0.000) 0.950 3.065 ( 0.000 -3.024 0.000) 3.024 3.227 ( 0.000 -10.242 0.000) 10.242 3.410 ( 0.000 -3.627 0.000) 3.627 3.416 ( 0.000 2.721 0.000) 2.721 3.538 ( 0.000 -5.976 0.000) 5.976 3.689 ( 0.000 0.109 0.000) 0.109 3.745 ( 0.000 3.649 0.000) 3.649 3.893 ( 0.000 -7.608 0.000) 7.608 3.936 ( 0.000 3.661 0.000) 3.661 4.211 ( 0.000 -7.532 0.000) 7.532 4.515 ( 0.000 8.623 0.000) 8.623 4.601 ( 0.000 11.926 0.000) 11.926 4.916 ( 0.000 12.062 0.000) 12.062 4.972 ( 0.000 17.190 0.000) 17.190 5.153 ( 0.000 0.503 0.000) 0.503 5.515 ( 0.000 -0.888 0.000) 0.888 5.589 ( 0.000 -3.839 0.000) 3.839 5.809 ( 0.000 -4.128 0.000) 4.128 5.892 ( 0.000 5.133 0.000) 5.133 6.063 ( 0.000 -6.192 0.000) 6.192 6.323 ( 0.000 -4.042 0.000) 4.042 6.843 ( 0.000 -4.246 0.000) 4.246 7.259 ( 0.000 0.167 0.000) 0.167 7.443 ( 0.000 -0.743 0.000) 0.743 7.513 ( 0.000 -9.254 0.000) 9.254 7.808 ( 0.000 15.326 0.000) 15.326 7.933 ( 0.000 -2.723 0.000) 2.723 8.330 ( 0.000 15.796 0.000) 15.796 9.120 ( 0.000 3.107 0.000) 3.107 9.367 ( 0.000 -4.806 0.000) 4.806 9.744 ( 0.000 0.421 0.000) 0.421 10.025 ( 0.000 -1.969 0.000) 1.969 10.389 ( 0.000 3.815 0.000) 3.815 10.683 ( 0.000 -0.720 0.000) 0.720 10.862 ( 0.000 7.299 0.000) 7.299 11.083 ( 0.000 -6.713 0.000) 6.713 11.532 ( 0.000 -6.801 0.000) 6.801 11.608 ( 0.000 11.458 0.000) 11.458 11.677 ( 0.000 -5.612 0.000) 5.612 12.344 ( 0.000 1.297 0.000) 1.297 12.728 ( 0.000 3.810 0.000) 3.810 13.173 ( 0.000 -6.647 0.000) 6.647 16.816 ( 0.000 -14.116 0.000) 14.116 16.847 ( 0.000 -14.059 0.000) 14.059 17.175 ( 0.000 0.361 0.000) 0.361 17.602 ( 0.000 -7.342 0.000) 7.342 17.840 ( 0.000 1.223 0.000) 1.223 18.001 ( 0.000 -1.561 0.000) 1.561 18.370 ( 0.000 9.446 0.000) 9.446 18.443 ( 0.000 8.010 0.000) 8.010 21.018 ( 0.000 12.763 0.000) 12.763 21.089 ( 0.000 1.449 0.000) 1.449 21.501 ( 0.000 -2.600 0.000) 2.600 21.946 ( 0.000 -0.448 0.000) 0.448 ======================= Grid point 23 (14/170) ======================= q-point: ( 0.09 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.292 27.466 4.553) 27.843 1.370 ( 6.937 26.201 10.813) 29.181 2.397 ( 22.355 32.751 13.674) 41.945 2.607 ( 1.245 -2.989 -4.583) 5.612 2.767 ( 0.580 6.327 -2.658) 6.887 2.899 ( -1.819 -1.288 -2.043) 3.023 2.983 ( -3.725 -4.596 -2.082) 6.271 3.273 ( -3.937 -5.561 4.943) 8.418 3.364 ( -2.262 -0.797 -2.757) 3.654 3.403 ( 4.155 -1.132 -2.742) 5.105 3.511 ( -2.529 -8.378 -1.424) 8.867 3.688 ( -6.085 -5.342 1.113) 8.174 3.764 ( 0.317 5.572 1.376) 5.748 3.813 ( -3.679 1.953 10.181) 11.000 4.061 ( -6.254 5.858 6.134) 10.538 4.187 ( 1.529 -7.504 5.430) 9.388 4.562 ( 3.137 5.144 3.025) 6.741 4.609 ( 1.823 8.920 -1.937) 9.308 4.912 ( -1.470 8.998 -2.587) 9.477 4.997 ( 3.629 11.461 -0.788) 12.048 5.084 ( -1.390 7.965 -2.372) 8.426 5.516 ( 2.810 1.555 -3.822) 4.992 5.596 ( -1.294 -3.777 -1.419) 4.237 5.824 ( 0.563 -8.841 -1.469) 8.980 5.906 ( 4.602 5.214 -1.183) 7.054 6.094 ( 3.380 -4.585 -0.401) 5.710 6.279 ( -4.890 -3.349 -1.125) 6.033 6.752 ( -10.231 -5.869 2.887) 12.143 7.234 ( -2.900 -0.428 0.008) 2.932 7.378 ( -1.690 -3.729 -1.631) 4.407 7.630 ( 5.876 -0.223 0.590) 5.910 7.834 ( 2.373 11.496 3.686) 12.303 7.983 ( 4.102 -1.251 -0.345) 4.302 8.325 ( 1.201 13.535 -1.449) 13.665 9.122 ( 1.352 3.275 -0.060) 3.544 9.369 ( -1.309 -4.250 2.016) 4.883 9.694 ( -1.175 1.414 -3.835) 4.252 10.068 ( 3.509 1.320 0.691) 3.812 10.268 ( -13.266 6.659 1.510) 14.920 10.674 ( -2.005 0.360 1.177) 2.353 10.780 ( -2.082 4.870 -4.636) 7.039 11.086 ( -4.636 -5.495 4.128) 8.290 11.417 ( -6.667 1.405 -8.685) 11.038 11.553 ( -2.713 -6.145 2.367) 7.122 11.865 ( 11.627 3.193 4.860) 13.000 12.554 ( 16.780 -5.487 4.896) 18.321 12.765 ( 6.411 3.847 -2.586) 7.911 13.150 ( -0.513 -5.877 -2.839) 6.547 16.785 ( -6.347 -9.204 -2.296) 11.413 16.882 ( 6.467 -11.212 -4.221) 13.615 17.082 ( 0.830 -2.700 -9.054) 9.485 17.571 ( 5.194 -9.226 -11.553) 15.671 17.914 ( 0.815 3.044 3.543) 4.741 18.057 ( 0.989 0.673 7.325) 7.422 18.245 ( -13.877 8.913 0.923) 16.519 18.390 ( -5.644 8.506 4.989) 11.362 21.080 ( 4.358 10.396 2.939) 11.650 21.136 ( 5.739 1.022 -0.231) 5.833 21.491 ( -2.268 -3.018 1.640) 4.116 21.932 ( -2.148 -0.921 0.535) 2.398 ======================= Grid point 24 (15/170) ======================= q-point: ( 0.18 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 11.617 13.688 11.878) 21.527 1.652 ( 9.765 17.527 13.622) 24.251 2.500 ( -1.523 -0.380 -9.853) 9.977 2.714 ( -0.578 2.360 -2.929) 3.805 2.810 ( -3.478 -7.047 1.408) 7.984 2.946 ( 3.685 5.402 2.134) 6.878 2.977 ( 14.143 14.099 5.149) 20.623 3.162 ( -7.139 -0.067 -2.745) 7.649 3.364 ( -0.028 -3.974 3.076) 5.026 3.437 ( 0.191 -9.150 -2.622) 9.521 3.513 ( 7.220 -1.562 4.660) 8.734 3.602 ( -4.060 -1.547 -1.462) 4.584 3.722 ( -4.835 5.217 2.321) 7.482 3.903 ( -4.740 0.226 5.140) 6.996 3.988 ( -9.354 3.346 9.191) 13.534 4.234 ( -6.486 0.485 12.398) 14.000 4.603 ( 3.445 11.992 0.499) 12.487 4.748 ( 10.151 -1.514 4.120) 11.059 4.811 ( -3.826 3.726 -3.371) 6.316 5.073 ( 4.832 7.487 1.322) 9.008 5.116 ( 6.944 12.005 -3.262) 14.247 5.475 ( -2.835 -1.004 -5.017) 5.849 5.554 ( 0.400 1.242 -1.396) 1.911 5.743 ( -3.426 -0.982 -7.092) 7.938 5.991 ( 4.195 -2.141 0.496) 4.736 6.116 ( -2.957 -1.783 -0.846) 3.555 6.171 ( -4.605 -5.896 -0.019) 7.482 6.653 ( -7.182 -8.154 2.954) 11.260 7.178 ( -2.358 -0.497 -1.265) 2.722 7.373 ( 1.313 -1.730 0.169) 2.179 7.648 ( -0.422 10.583 -2.662) 10.921 7.951 ( -0.352 4.101 -1.209) 4.290 7.999 ( 5.046 3.833 2.943) 6.987 8.371 ( 5.770 6.885 0.005) 8.983 9.195 ( 6.961 1.359 1.961) 7.358 9.378 ( -0.650 -2.327 3.134) 3.957 9.660 ( -0.403 2.297 -0.825) 2.474 10.061 ( -3.076 10.898 -5.790) 12.718 10.168 ( -2.299 -1.247 7.184) 7.645 10.607 ( -3.917 3.399 -2.807) 5.897 10.763 ( 0.629 0.223 1.415) 1.565 11.013 ( -9.684 -2.984 2.643) 10.472 11.237 ( -5.056 -1.401 -6.041) 8.001 11.504 ( -4.435 -5.562 -0.684) 7.147 12.116 ( 12.319 4.207 6.170) 14.405 12.801 ( 8.757 -2.894 -1.613) 9.362 12.881 ( 12.318 -1.763 -1.628) 12.550 13.115 ( 1.191 -4.465 -3.381) 5.726 16.623 ( -6.817 -1.214 -6.261) 9.335 16.781 ( -3.105 -0.389 -12.047) 12.447 17.128 ( 4.440 -4.776 -0.431) 6.535 17.522 ( 3.572 -4.475 -12.407) 13.664 17.814 ( -8.629 7.798 -2.748) 11.951 18.049 ( -4.786 1.430 0.790) 5.057 18.239 ( 3.317 0.020 10.195) 10.721 18.437 ( -0.437 2.731 10.150) 10.520 21.154 ( 2.236 3.274 1.055) 4.103 21.262 ( 9.356 3.004 -0.955) 9.873 21.476 ( -3.848 -3.574 5.475) 7.586 21.890 ( -3.662 -2.161 0.138) 4.254 ======================= Grid point 25 (16/170) ======================= q-point: ( 0.27 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 14.966 3.017 15.068) 21.450 1.922 ( 6.898 9.470 9.988) 15.396 2.391 ( 0.262 3.704 -6.298) 7.311 2.634 ( -2.241 3.075 -5.534) 6.716 2.691 ( -9.398 -2.660 -0.911) 9.810 2.944 ( -0.933 -3.789 -1.904) 4.342 3.071 ( -1.312 -2.424 -7.270) 7.775 3.138 ( 3.768 1.365 0.944) 4.117 3.276 ( -6.244 -8.012 -7.695) 12.743 3.451 ( -3.505 2.200 2.807) 5.001 3.493 ( -8.796 -3.835 0.778) 9.627 3.684 ( -3.259 -4.320 -0.270) 5.418 3.771 ( 2.531 1.170 2.744) 3.912 3.891 ( 10.311 4.214 6.465) 12.879 4.054 ( 6.142 3.526 16.777) 18.211 4.344 ( -4.855 1.328 20.615) 21.221 4.658 ( 0.564 10.463 -3.799) 11.146 4.781 ( 4.875 7.251 4.467) 9.813 4.917 ( 4.409 -0.760 0.665) 4.523 5.085 ( -3.256 1.087 -4.709) 5.828 5.189 ( 5.924 5.607 -3.514) 8.881 5.396 ( -1.123 0.297 -0.275) 1.194 5.592 ( 5.878 5.583 -1.669) 8.277 5.628 ( -1.148 4.660 -3.568) 5.980 5.966 ( -12.216 -9.175 1.197) 15.325 6.019 ( -1.202 -1.102 0.456) 1.693 6.173 ( 0.664 -1.635 1.839) 2.549 6.536 ( -7.820 -6.743 -4.349) 11.204 7.153 ( 1.049 0.181 -2.034) 2.295 7.401 ( 1.650 0.227 0.130) 1.671 7.594 ( -2.509 14.605 -2.168) 14.977 7.814 ( -5.273 8.820 -7.768) 12.882 8.202 ( 8.373 0.482 8.917) 12.242 8.476 ( 6.177 4.072 0.826) 7.444 9.345 ( 6.364 -0.308 1.927) 6.656 9.422 ( 1.716 -1.539 3.368) 4.081 9.651 ( 0.147 0.988 1.409) 1.727 9.971 ( -2.149 5.322 -2.246) 6.164 10.228 ( 1.511 1.491 3.362) 3.977 10.550 ( 1.402 2.538 -2.454) 3.798 10.769 ( -3.903 -0.065 0.062) 3.904 10.858 ( -8.268 -0.724 -0.517) 8.316 11.132 ( -4.533 -1.939 -0.631) 4.971 11.412 ( -5.073 -4.423 -1.814) 6.970 12.376 ( 11.835 3.936 6.030) 13.854 12.838 ( 2.476 0.927 -5.375) 5.990 13.038 ( 9.055 -4.551 -1.814) 10.295 13.131 ( 4.345 -3.578 -2.295) 6.078 16.472 ( -2.925 3.496 -6.413) 7.867 16.610 ( -2.152 2.683 -10.283) 10.843 17.071 ( -10.924 12.725 0.593) 16.781 17.331 ( -10.064 14.627 -11.389) 21.094 17.795 ( 8.590 -9.471 -0.084) 12.787 18.092 ( 6.664 -8.852 1.996) 11.259 18.380 ( 1.822 -0.860 7.141) 7.420 18.544 ( 0.376 0.110 7.729) 7.739 21.191 ( 1.759 0.928 0.376) 2.025 21.334 ( 3.310 -0.962 -4.496) 5.666 21.528 ( -0.128 -3.126 9.347) 9.857 21.821 ( -4.520 -3.828 -0.894) 5.990 ======================= Grid point 26 (17/170) ======================= q-point: ( 0.36 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -1.175 3.347 6.078) 7.037 2.278 ( 9.884 1.719 9.885) 14.083 2.379 ( 3.242 3.160 1.987) 4.944 2.544 ( -1.442 0.755 -2.262) 2.787 2.577 ( -1.292 5.305 -4.001) 6.769 2.898 ( -2.114 -5.163 -2.617) 6.163 2.933 ( -2.532 -1.535 -7.052) 7.649 3.061 ( -5.729 -7.147 -9.405) 13.129 3.174 ( -6.241 1.421 2.377) 6.828 3.353 ( -3.701 0.845 -0.056) 3.797 3.474 ( -0.099 -2.282 3.129) 3.874 3.551 ( -7.398 1.206 -2.927) 8.047 3.929 ( 9.679 -10.988 2.719) 14.893 4.031 ( 10.034 -7.441 0.696) 12.511 4.370 ( -5.382 -0.356 9.513) 10.935 4.579 ( 13.778 5.555 21.312) 25.979 4.650 ( -2.041 11.056 4.764) 12.211 4.829 ( -4.715 3.672 -7.752) 9.788 4.922 ( 2.939 -1.778 -4.147) 5.385 4.981 ( -4.811 -4.835 5.994) 9.081 5.249 ( 5.568 2.722 0.282) 6.204 5.426 ( 1.771 0.455 1.809) 2.572 5.531 ( -0.740 8.123 -9.579) 12.582 5.655 ( 0.999 6.610 -4.186) 7.887 5.882 ( -7.292 -7.342 11.916) 15.782 6.005 ( 1.680 0.761 0.647) 1.954 6.207 ( 1.287 2.192 -0.235) 2.552 6.321 ( -9.164 -3.303 -7.737) 12.440 7.134 ( 0.155 1.054 -4.357) 4.485 7.419 ( 0.960 1.637 -0.796) 2.058 7.541 ( -3.138 16.165 1.484) 16.533 7.664 ( -3.126 11.723 -6.624) 13.823 8.430 ( 8.013 -0.063 7.737) 11.139 8.568 ( 3.904 3.673 1.132) 5.478 9.347 ( -3.459 1.053 -2.478) 4.383 9.502 ( 2.703 -2.583 3.201) 4.921 9.757 ( 8.095 -4.026 3.792) 9.804 9.933 ( -1.251 0.163 0.036) 1.262 10.286 ( 2.473 2.530 1.648) 3.903 10.577 ( -6.398 -0.483 -0.450) 6.432 10.616 ( 2.752 0.287 -5.985) 6.594 10.810 ( -3.294 3.651 2.320) 5.437 11.060 ( -4.698 -1.629 0.836) 5.042 11.321 ( -3.666 -2.978 -1.666) 5.008 12.605 ( 9.210 3.426 4.882) 10.972 12.794 ( -0.334 2.594 -4.397) 5.116 13.132 ( 5.954 -4.476 -2.156) 7.755 13.168 ( 2.652 -3.592 -1.877) 4.843 16.400 ( 1.435 6.189 -4.384) 7.719 16.501 ( 0.516 4.606 -7.240) 8.597 16.876 ( -13.055 20.569 0.861) 24.377 17.048 ( -11.472 21.921 -6.827) 25.666 17.983 ( 13.160 -12.462 0.202) 18.125 18.237 ( 7.046 -11.001 2.370) 13.278 18.454 ( -0.003 -1.764 4.261) 4.612 18.599 ( -1.793 -1.888 4.097) 4.855 21.222 ( 2.051 -0.333 -0.219) 2.089 21.314 ( -0.449 -1.570 -1.727) 2.377 21.625 ( 0.918 -5.607 5.859) 8.161 21.736 ( -4.154 -5.693 -1.626) 7.233 ======================= Grid point 27 (18/170) ======================= q-point: ( 0.45 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -1.406 4.782 3.161) 5.902 2.251 ( -3.991 3.619 -2.462) 5.923 2.518 ( -0.536 3.979 -2.023) 4.496 2.605 ( 5.607 2.264 5.871) 8.428 2.655 ( 11.287 -0.079 5.628) 12.612 2.808 ( -3.952 -3.193 -5.771) 7.689 2.864 ( -2.786 -1.230 -0.607) 3.105 2.926 ( -1.420 -7.237 -4.688) 8.739 3.025 ( -7.983 1.496 -1.088) 8.195 3.363 ( 0.976 -0.970 0.763) 1.574 3.422 ( -3.434 3.963 -2.514) 5.815 3.509 ( 0.259 -4.226 1.543) 4.506 4.099 ( 7.634 -5.919 2.054) 9.876 4.219 ( 9.351 -12.398 0.884) 15.554 4.323 ( -5.185 -7.327 1.334) 9.075 4.593 ( -4.513 4.433 0.552) 6.350 4.673 ( -7.606 -1.950 -2.628) 8.280 4.893 ( -0.163 -1.161 1.642) 2.017 4.951 ( 7.657 0.324 6.791) 10.239 5.009 ( 0.409 2.878 0.765) 3.006 5.360 ( 3.293 2.754 3.955) 5.837 5.391 ( -3.058 -2.739 -3.059) 5.120 5.474 ( -0.026 -0.510 2.539) 2.590 5.661 ( 4.336 8.447 -3.586) 10.149 5.872 ( -3.639 3.715 5.808) 7.796 5.995 ( -5.258 0.973 -9.484) 10.887 6.139 ( 1.985 0.912 0.128) 2.188 6.267 ( -0.065 4.101 2.121) 4.618 7.075 ( -1.051 2.959 -2.856) 4.245 7.419 ( 0.198 3.668 -0.377) 3.693 7.533 ( -1.899 15.186 3.685) 15.742 7.576 ( -0.088 12.966 -4.908) 13.864 8.589 ( 4.067 1.035 2.690) 4.985 8.618 ( 0.706 3.634 1.002) 3.835 9.270 ( -2.064 -0.100 -1.473) 2.538 9.559 ( 1.083 -3.921 1.336) 4.282 9.862 ( 1.544 -5.571 -0.825) 5.839 9.979 ( 3.793 -5.076 4.038) 7.514 10.336 ( 1.651 2.217 0.777) 2.872 10.395 ( -6.366 0.005 -3.889) 7.460 10.696 ( 5.214 2.660 -0.113) 5.854 10.766 ( -3.701 3.828 0.075) 5.325 11.016 ( -2.000 -1.296 0.942) 2.562 11.267 ( -1.350 -1.929 -0.740) 2.468 12.742 ( 0.632 3.991 1.144) 4.199 12.761 ( 2.765 3.515 -0.751) 4.534 13.171 ( 0.253 -3.833 -0.533) 3.878 13.180 ( 2.239 -4.999 -1.327) 5.636 16.412 ( 3.265 6.378 -1.158) 7.258 16.455 ( 0.096 4.949 -3.272) 5.934 16.724 ( -6.192 24.154 0.617) 24.943 16.859 ( -5.296 25.227 -2.219) 25.873 18.169 ( 8.893 -10.148 0.111) 13.494 18.309 ( -0.987 -10.020 0.888) 10.108 18.506 ( 2.835 -3.906 2.384) 5.383 18.579 ( -3.705 -3.634 0.464) 5.211 21.243 ( 1.131 -0.753 -0.863) 1.610 21.299 ( -0.527 -0.621 0.493) 0.952 21.669 ( -1.690 -7.247 -0.597) 7.465 21.678 ( 0.108 -7.952 1.603) 8.112 ======================= Grid point 33 (19/170) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.000 26.632 0.000) 26.632 1.910 ( 0.000 26.104 0.000) 26.104 2.552 ( 0.000 7.068 0.000) 7.068 2.580 ( 0.000 1.931 0.000) 1.931 2.857 ( 0.000 -0.043 0.000) 0.043 2.915 ( 0.000 -3.948 0.000) 3.948 3.010 ( 0.000 -2.348 0.000) 2.348 3.031 ( 0.000 -8.390 0.000) 8.390 3.313 ( 0.000 -7.012 0.000) 7.012 3.407 ( 0.000 -7.384 0.000) 7.384 3.503 ( 0.000 1.353 0.000) 1.353 3.684 ( 0.000 -5.748 0.000) 5.748 3.716 ( 0.000 5.450 0.000) 5.450 3.875 ( 0.000 0.891 0.000) 0.891 3.968 ( 0.000 10.765 0.000) 10.765 4.310 ( 0.000 13.647 0.000) 13.647 4.688 ( 0.000 8.348 0.000) 8.348 4.848 ( 0.000 12.214 0.000) 12.214 5.100 ( 0.000 8.081 0.000) 8.081 5.174 ( 0.000 1.480 0.000) 1.480 5.331 ( 0.000 16.058 0.000) 16.058 5.488 ( 0.000 -2.239 0.000) 2.239 5.525 ( 0.000 0.194 0.000) 0.194 5.601 ( 0.000 -14.213 0.000) 14.213 5.911 ( 0.000 -9.923 0.000) 9.923 6.068 ( 0.000 10.573 0.000) 10.573 6.212 ( 0.000 -7.768 0.000) 7.768 6.711 ( 0.000 -9.282 0.000) 9.282 7.260 ( 0.000 -0.647 0.000) 0.647 7.355 ( 0.000 -7.003 0.000) 7.003 7.459 ( 0.000 3.051 0.000) 3.051 7.845 ( 0.000 -6.361 0.000) 6.361 8.126 ( 0.000 17.274 0.000) 17.274 8.578 ( 0.000 8.589 0.000) 8.589 9.185 ( 0.000 3.583 0.000) 3.583 9.296 ( 0.000 -2.308 0.000) 2.308 9.751 ( 0.000 0.340 0.000) 0.340 9.943 ( 0.000 -6.308 0.000) 6.308 10.481 ( 0.000 5.788 0.000) 5.788 10.731 ( 0.000 6.638 0.000) 6.638 10.936 ( 0.000 -8.582 0.000) 8.582 11.028 ( 0.000 9.549 0.000) 9.549 11.372 ( 0.000 -10.077 0.000) 10.077 11.550 ( 0.000 -7.608 0.000) 7.608 11.847 ( 0.000 13.176 0.000) 13.176 12.346 ( 0.000 -1.549 0.000) 1.549 12.797 ( 0.000 3.400 0.000) 3.400 13.041 ( 0.000 -6.828 0.000) 6.828 16.579 ( 0.000 -10.283 0.000) 10.283 16.603 ( 0.000 -10.950 0.000) 10.950 17.194 ( 0.000 1.678 0.000) 1.678 17.455 ( 0.000 -7.603 0.000) 7.603 17.868 ( 0.000 1.623 0.000) 1.623 17.970 ( 0.000 -1.737 0.000) 1.737 18.526 ( 0.000 6.722 0.000) 6.722 18.572 ( 0.000 5.243 0.000) 5.243 21.129 ( 0.000 2.817 0.000) 2.817 21.243 ( 0.000 8.273 0.000) 8.273 21.473 ( 0.000 1.777 0.000) 1.777 21.909 ( 0.000 -3.662 0.000) 3.662 ======================= Grid point 34 (20/170) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -4.942 23.364 -1.908) 23.957 1.848 ( 3.438 23.612 5.125) 24.405 2.569 ( 0.608 0.414 -4.449) 4.509 2.646 ( 3.104 -0.121 4.141) 5.176 2.809 ( -4.270 -3.333 -2.074) 5.801 2.905 ( 0.671 -4.256 -1.999) 4.750 2.995 ( 2.071 -0.034 2.365) 3.144 3.144 ( 4.238 -4.849 8.198) 10.425 3.257 ( 0.937 -5.771 -9.276) 10.965 3.336 ( -4.843 -7.894 -2.526) 9.599 3.492 ( 1.215 4.840 0.782) 5.051 3.759 ( -1.723 11.543 7.953) 14.123 3.800 ( 2.243 0.555 10.140) 10.400 3.876 ( -1.102 -0.679 -1.613) 2.069 4.049 ( 2.976 1.952 8.888) 9.574 4.251 ( -8.988 13.840 5.351) 17.348 4.678 ( -0.983 6.356 0.238) 6.436 4.836 ( -0.213 11.723 -1.545) 11.826 5.014 ( -5.793 3.985 -4.854) 8.544 5.182 ( 2.504 8.497 -0.532) 8.874 5.323 ( -0.526 9.834 -2.156) 10.082 5.474 ( 1.441 -4.733 -2.708) 5.640 5.561 ( -3.560 -2.922 3.481) 5.773 5.605 ( 3.554 -7.900 0.515) 8.678 5.919 ( 1.125 -6.259 1.298) 6.491 6.094 ( 5.037 6.529 -5.047) 9.668 6.195 ( -2.239 -5.606 -0.764) 6.085 6.611 ( -9.916 -8.872 0.218) 13.308 7.232 ( -2.400 -0.142 -2.150) 3.225 7.299 ( 0.693 -3.913 -1.593) 4.281 7.620 ( 10.909 0.744 3.213) 11.397 7.914 ( 6.438 -5.392 0.973) 8.454 8.117 ( -0.890 16.060 0.160) 16.086 8.545 ( -1.878 7.728 -2.786) 8.426 9.182 ( 0.092 3.041 0.320) 3.059 9.299 ( -0.978 -2.714 2.251) 3.659 9.731 ( 0.304 2.503 -1.417) 2.892 10.019 ( 1.672 -5.619 7.939) 9.869 10.403 ( -8.495 7.625 -0.620) 11.432 10.726 ( -1.085 6.013 0.676) 6.148 10.859 ( -3.182 -0.902 -5.651) 6.548 11.018 ( -3.311 2.089 2.311) 4.546 11.361 ( -0.417 -8.194 -6.101) 10.224 11.427 ( -7.969 -5.993 -1.281) 10.053 11.986 ( 10.371 9.144 4.746) 14.618 12.473 ( 11.029 -4.337 3.506) 12.359 12.835 ( 6.055 3.350 -2.180) 7.255 13.036 ( 0.993 -5.632 -1.902) 6.026 16.617 ( 1.944 -7.594 -0.970) 7.899 16.671 ( 11.592 -9.772 -0.995) 15.194 17.077 ( -2.652 1.520 -13.192) 13.541 17.388 ( 2.953 -9.354 -12.752) 16.088 17.960 ( 2.906 2.104 7.552) 8.360 18.053 ( 2.361 -0.892 9.047) 9.392 18.415 ( -12.450 8.263 0.430) 14.948 18.530 ( -6.293 5.503 1.774) 8.546 21.150 ( 2.248 1.750 0.015) 2.849 21.273 ( 4.262 5.828 -1.504) 7.375 21.460 ( -4.472 2.263 4.498) 6.734 21.888 ( -3.294 -3.868 0.943) 5.167 ======================= Grid point 35 (21/170) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 2.221 15.180 4.526) 15.996 1.981 ( 4.803 15.966 5.426) 17.533 2.491 ( -0.856 -0.441 -6.462) 6.533 2.674 ( -2.623 -3.424 1.507) 4.569 2.750 ( -2.729 -0.482 -0.175) 2.776 2.912 ( 2.967 -6.175 -1.928) 7.117 2.989 ( -3.945 -7.359 -0.220) 8.353 3.177 ( 1.563 -1.717 -7.860) 8.196 3.239 ( -3.422 -7.885 -2.328) 8.905 3.332 ( 5.299 -3.132 5.028) 7.948 3.569 ( 2.631 5.015 3.482) 6.648 3.712 ( -7.785 3.310 -5.101) 9.878 3.873 ( 0.414 8.888 11.784) 14.766 3.946 ( -0.262 8.670 9.190) 12.637 4.112 ( -11.335 11.761 9.605) 18.949 4.219 ( -6.155 -0.155 13.846) 15.153 4.698 ( 2.545 -1.405 2.720) 3.981 4.856 ( 4.325 10.675 1.124) 11.573 4.893 ( -1.821 4.928 -5.026) 7.271 5.213 ( 0.676 5.885 -2.482) 6.423 5.268 ( -1.191 1.432 -2.544) 3.153 5.462 ( -0.399 1.057 -0.715) 1.337 5.537 ( -3.256 -8.888 4.599) 10.523 5.677 ( 5.306 1.503 -1.825) 5.809 5.947 ( 0.037 -1.769 -1.320) 2.208 6.092 ( 1.935 0.540 -4.475) 4.906 6.110 ( -3.410 -1.684 -4.082) 5.579 6.495 ( -5.764 -8.703 1.575) 10.556 7.180 ( 0.248 0.793 -3.095) 3.205 7.329 ( 3.666 -2.777 -0.575) 4.635 7.804 ( 8.257 5.468 1.338) 9.993 7.996 ( 2.211 -0.132 -0.543) 2.281 8.124 ( 1.221 9.983 1.456) 10.163 8.488 ( 0.077 3.980 -2.751) 4.839 9.222 ( 3.636 1.508 2.355) 4.587 9.324 ( -0.390 -2.773 4.490) 5.292 9.737 ( -0.460 5.533 1.283) 5.699 10.103 ( -5.778 -4.907 9.277) 11.980 10.274 ( -1.427 10.682 -3.595) 11.361 10.668 ( -5.178 2.384 -1.646) 5.933 10.801 ( 1.382 3.312 -2.076) 4.146 10.962 ( -7.367 -1.073 1.539) 7.602 11.199 ( -4.418 -2.867 -8.297) 9.827 11.362 ( -2.945 -9.106 -0.623) 9.591 12.220 ( 11.091 6.627 6.142) 14.306 12.679 ( 9.208 -7.512 2.239) 12.092 12.923 ( 9.442 3.047 -4.742) 10.997 13.042 ( 3.523 -2.901 -2.922) 5.419 16.613 ( 1.071 0.600 -4.780) 4.935 16.817 ( 4.851 3.492 -11.486) 12.948 16.963 ( 10.438 -9.665 -3.280) 14.599 17.346 ( 9.608 -11.876 -11.028) 18.841 17.991 ( -5.895 8.533 -0.402) 10.379 18.170 ( -8.194 7.854 2.905) 11.716 18.236 ( -2.363 0.963 6.798) 7.261 18.478 ( -5.094 1.245 7.698) 9.314 21.183 ( 0.853 0.445 1.012) 1.397 21.310 ( 2.828 -0.943 -3.511) 4.606 21.456 ( -4.050 3.930 8.179) 9.937 21.829 ( -5.287 -4.373 0.489) 6.879 ======================= Grid point 36 (22/170) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 8.054 5.405 10.103) 14.006 2.082 ( 2.028 6.478 3.042) 7.439 2.461 ( 2.984 3.750 -1.479) 5.016 2.617 ( -5.359 -1.373 0.241) 5.538 2.697 ( -2.410 0.930 -1.107) 2.811 2.898 ( -2.339 -3.986 -2.965) 5.491 2.920 ( 0.207 -7.519 -6.596) 10.005 3.133 ( -0.978 -1.834 -5.121) 5.527 3.187 ( 1.840 -2.196 -1.498) 3.233 3.390 ( -3.823 -5.013 2.709) 6.862 3.530 ( -3.599 1.484 -2.342) 4.543 3.573 ( -4.591 -4.004 -3.504) 7.028 3.856 ( -6.194 6.667 2.700) 9.493 3.983 ( -11.295 5.909 2.269) 12.947 4.202 ( 4.239 7.295 19.371) 21.128 4.358 ( -1.840 3.411 23.689) 24.004 4.751 ( -4.919 -11.393 3.638) 12.932 4.843 ( 1.655 6.905 -2.821) 7.640 4.978 ( 8.369 9.937 2.037) 13.150 5.092 ( -7.124 -2.024 -5.546) 9.252 5.264 ( 1.576 3.624 -2.410) 4.629 5.446 ( -1.433 1.421 -0.427) 2.063 5.616 ( 2.350 -4.571 12.125) 13.170 5.724 ( 6.164 5.803 -7.685) 11.434 5.842 ( -5.930 2.033 -4.701) 7.836 6.034 ( -0.841 0.561 -2.166) 2.390 6.127 ( 4.440 -2.960 -0.226) 5.341 6.416 ( -3.946 -6.096 -4.071) 8.325 7.175 ( 2.963 2.240 -3.120) 4.851 7.382 ( 3.825 -2.252 -1.206) 4.599 7.874 ( -1.335 13.700 1.522) 13.848 7.980 ( 0.454 8.317 -5.188) 9.813 8.207 ( 4.632 0.150 6.790) 8.220 8.514 ( 4.793 -0.879 -0.552) 4.904 9.334 ( 4.831 -0.718 3.452) 5.981 9.381 ( 0.907 -2.328 4.833) 5.441 9.716 ( -3.956 5.822 1.747) 7.252 10.028 ( -9.705 -0.327 3.799) 10.427 10.302 ( 4.975 6.570 -1.419) 8.363 10.606 ( 1.277 2.553 -2.302) 3.667 10.753 ( -7.736 -0.977 -3.566) 8.574 10.859 ( -2.743 0.689 1.028) 3.009 11.093 ( -2.508 -1.866 -2.546) 4.031 11.303 ( -2.706 -6.837 -1.710) 7.549 12.458 ( 10.140 4.617 6.502) 12.900 12.787 ( 2.707 -5.740 1.072) 6.436 13.013 ( 9.787 1.357 -6.794) 11.991 13.082 ( 5.491 -1.541 -3.618) 6.754 16.561 ( 1.545 5.765 -7.086) 9.265 16.690 ( 0.125 5.165 -11.328) 12.450 17.182 ( 11.801 -1.457 0.837) 11.920 17.428 ( 11.689 -5.771 -6.840) 14.721 17.821 ( -10.677 11.827 -1.899) 16.046 18.026 ( -4.678 3.718 -0.317) 5.985 18.349 ( 1.244 -2.438 6.488) 7.042 18.516 ( -2.125 -3.135 6.958) 7.921 21.198 ( -1.566 -0.322 3.195) 3.572 21.290 ( -2.011 -3.563 0.034) 4.092 21.500 ( -0.443 0.747 4.738) 4.817 21.736 ( -5.799 -4.984 -1.427) 7.778 ======================= Grid point 37 (23/170) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -1.036 2.285 4.154) 4.853 2.276 ( 9.622 -1.219 12.909) 16.147 2.472 ( -5.398 5.042 -1.309) 7.502 2.577 ( 5.316 2.876 0.000) 6.044 2.659 ( -0.277 2.539 -4.280) 4.984 2.822 ( 0.479 -4.651 -5.584) 7.283 2.852 ( -0.759 -1.064 -3.725) 3.948 3.004 ( -4.294 0.265 -7.673) 8.797 3.205 ( -3.526 0.729 0.362) 3.619 3.322 ( -4.881 -3.212 3.320) 6.720 3.482 ( -4.387 -4.190 0.669) 6.104 3.501 ( 1.528 -2.564 -3.645) 4.711 3.813 ( -1.222 1.332 0.930) 2.033 3.904 ( 0.856 -3.928 1.280) 4.219 4.297 ( -11.022 -7.338 10.428) 16.855 4.564 ( -12.218 -15.890 4.341) 20.509 4.727 ( 3.916 4.524 19.006) 19.926 4.887 ( -0.614 7.450 5.020) 9.004 4.928 ( -0.126 5.618 -6.834) 8.848 5.118 ( 3.283 9.370 1.707) 10.075 5.287 ( 4.671 0.694 -0.348) 4.735 5.407 ( -2.911 -0.947 -0.277) 3.074 5.591 ( -5.922 -0.778 -7.909) 9.911 5.758 ( 5.492 2.564 -4.560) 7.585 5.883 ( 4.622 6.114 8.788) 11.661 6.006 ( -0.027 0.871 -1.152) 1.445 6.217 ( 4.785 -1.371 2.380) 5.517 6.279 ( -3.569 -1.353 -8.543) 9.357 7.181 ( 2.124 3.791 -3.855) 5.809 7.418 ( 2.551 -1.495 -1.214) 3.196 7.843 ( -4.681 14.253 3.481) 15.400 7.925 ( 0.046 15.520 -4.819) 16.251 8.392 ( 7.518 -3.945 7.269) 11.177 8.593 ( 4.500 -1.881 0.575) 4.911 9.366 ( -3.389 0.554 -0.486) 3.468 9.451 ( 1.159 -2.578 3.202) 4.271 9.717 ( 1.862 0.664 3.579) 4.089 9.925 ( -6.781 -1.320 2.004) 7.193 10.351 ( 3.756 4.205 -2.444) 6.145 10.555 ( -8.086 -1.709 -6.344) 10.419 10.655 ( 5.699 3.503 -0.154) 6.691 10.861 ( -1.947 1.103 3.772) 4.385 11.031 ( -2.916 -0.667 -1.256) 3.245 11.249 ( -1.797 -4.550 -1.537) 5.128 12.670 ( 7.738 3.184 5.969) 10.279 12.816 ( 0.022 -0.704 1.206) 1.396 13.073 ( 7.092 -1.380 -6.598) 9.785 13.113 ( 3.473 -2.094 -4.114) 5.777 16.526 ( 2.892 6.760 -5.281) 9.052 16.598 ( 0.971 5.137 -7.172) 8.875 17.260 ( -2.455 17.768 1.392) 17.991 17.462 ( -2.013 19.015 -5.384) 19.865 17.774 ( 9.147 -7.628 0.551) 11.923 18.047 ( 5.598 -7.226 0.423) 9.151 18.399 ( -1.312 -4.155 2.923) 5.247 18.530 ( -3.546 -5.475 3.192) 7.262 21.213 ( -1.542 -0.868 3.984) 4.359 21.267 ( -3.021 -3.176 3.478) 5.596 21.527 ( -0.247 -4.001 1.120) 4.162 21.623 ( -4.788 -5.793 -3.476) 8.280 ======================= Grid point 38 (24/170) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 1.428 4.396 5.810) 7.424 2.327 ( -5.802 3.702 -4.402) 8.170 2.528 ( 1.932 -1.655 5.775) 6.310 2.605 ( 4.296 -1.859 0.237) 4.687 2.720 ( 8.619 3.499 1.594) 9.438 2.785 ( -2.314 2.930 -5.556) 6.694 2.805 ( -0.225 0.402 -1.183) 1.270 2.889 ( -1.849 0.526 -3.726) 4.193 3.092 ( -7.215 3.545 0.119) 8.040 3.322 ( -0.201 -3.225 1.576) 3.595 3.406 ( -3.990 -4.685 0.006) 6.154 3.492 ( 0.599 -0.070 -1.979) 2.069 3.903 ( 11.515 -9.861 -0.298) 15.163 3.990 ( 4.394 -10.991 2.291) 12.056 4.147 ( -14.281 -10.740 1.996) 17.980 4.367 ( -10.330 -18.003 0.091) 20.756 4.796 ( -1.648 9.656 -1.646) 9.933 5.013 ( 2.417 8.716 6.502) 11.139 5.024 ( 3.270 3.758 10.810) 11.902 5.114 ( -0.383 7.674 -3.939) 8.635 5.345 ( -0.719 -0.566 -2.882) 3.024 5.387 ( 2.791 0.227 3.615) 4.573 5.464 ( -3.152 -0.774 -1.972) 3.798 5.744 ( 2.566 -2.135 -7.509) 8.218 5.945 ( -1.857 5.781 1.720) 6.311 6.049 ( 0.436 4.169 2.494) 4.878 6.173 ( 1.257 2.405 -4.252) 5.045 6.307 ( 2.213 0.125 2.040) 3.012 7.161 ( 0.233 5.793 -2.132) 6.177 7.438 ( 1.018 -0.730 -0.363) 1.304 7.820 ( -2.048 14.110 2.045) 14.404 7.885 ( -0.059 17.667 -2.055) 17.787 8.554 ( 4.229 -4.451 3.126) 6.890 8.651 ( 1.520 -1.079 0.712) 1.995 9.285 ( -3.070 1.499 -1.276) 3.647 9.479 ( -0.189 -4.457 0.828) 4.537 9.780 ( 0.653 -2.400 0.850) 2.628 9.896 ( -0.130 -3.627 2.578) 4.452 10.367 ( 1.362 1.186 -1.546) 2.377 10.397 ( -3.989 0.092 -3.327) 5.195 10.749 ( 4.882 3.150 0.551) 5.837 10.854 ( -2.923 4.391 1.143) 5.397 10.989 ( -1.103 -0.933 0.063) 1.446 11.214 ( -0.775 -3.651 -0.783) 3.813 12.811 ( 2.324 3.063 3.528) 5.218 12.826 ( 0.749 2.934 0.265) 3.040 13.094 ( 2.419 -3.502 -2.669) 5.024 13.104 ( 0.832 -3.121 -2.647) 4.176 16.531 ( 2.228 5.965 -1.611) 6.568 16.554 ( 0.043 5.188 -2.744) 5.869 17.216 ( -2.729 26.271 0.630) 26.420 17.361 ( -3.050 25.888 -1.694) 26.122 17.974 ( 11.398 -9.587 0.290) 14.897 18.118 ( -0.083 -9.034 0.563) 9.052 18.400 ( 0.475 -7.738 0.653) 7.780 18.482 ( -4.309 -6.746 0.533) 8.022 21.229 ( -0.425 -0.685 1.396) 1.612 21.275 ( -1.313 -1.948 3.444) 4.169 21.525 ( -0.243 -7.367 -0.256) 7.376 21.528 ( -2.022 -6.978 -2.625) 7.725 ======================= Grid point 44 (25/170) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 0.000 20.105 0.000) 20.105 2.355 ( 0.000 21.212 0.000) 21.212 2.523 ( 0.000 -9.035 0.000) 9.035 2.678 ( 0.000 6.967 0.000) 6.967 2.711 ( 0.000 -15.126 0.000) 15.126 2.798 ( 0.000 -5.946 0.000) 5.946 2.946 ( 0.000 -0.530 0.000) 0.530 2.962 ( 0.000 -1.603 0.000) 1.603 3.174 ( 0.000 -5.473 0.000) 5.473 3.208 ( 0.000 -9.293 0.000) 9.293 3.534 ( 0.000 2.958 0.000) 2.958 3.599 ( 0.000 -3.642 0.000) 3.642 3.807 ( 0.000 3.392 0.000) 3.392 3.859 ( 0.000 -2.134 0.000) 2.134 4.434 ( 0.000 29.885 0.000) 29.885 4.591 ( 0.000 14.279 0.000) 14.279 4.758 ( 0.000 -3.039 0.000) 3.039 4.901 ( 0.000 -12.368 0.000) 12.368 5.198 ( 0.000 0.729 0.000) 0.729 5.198 ( 0.000 1.587 0.000) 1.587 5.380 ( 0.000 -3.085 0.000) 3.085 5.427 ( 0.000 -4.011 0.000) 4.011 5.478 ( 0.000 7.998 0.000) 7.998 5.692 ( 0.000 -12.608 0.000) 12.608 5.755 ( 0.000 16.221 0.000) 16.221 6.025 ( 0.000 -12.040 0.000) 12.040 6.281 ( 0.000 11.853 0.000) 11.853 6.508 ( 0.000 -11.696 0.000) 11.696 7.241 ( 0.000 -0.625 0.000) 0.625 7.259 ( 0.000 -2.902 0.000) 2.902 7.559 ( 0.000 7.001 0.000) 7.001 7.705 ( 0.000 -7.986 0.000) 7.986 8.430 ( 0.000 13.876 0.000) 13.876 8.615 ( 0.000 -4.653 0.000) 4.653 9.246 ( 0.000 2.535 0.000) 2.535 9.274 ( 0.000 -0.659 0.000) 0.659 9.764 ( 0.000 1.503 0.000) 1.503 9.825 ( 0.000 -5.124 0.000) 5.124 10.609 ( 0.000 7.662 0.000) 7.662 10.768 ( 0.000 -8.865 0.000) 8.865 10.918 ( 0.000 12.071 0.000) 12.071 11.156 ( 0.000 -12.427 0.000) 12.427 11.213 ( 0.000 9.730 0.000) 9.730 11.392 ( 0.000 -9.020 0.000) 9.020 12.087 ( 0.000 11.613 0.000) 11.613 12.268 ( 0.000 -6.973 0.000) 6.973 12.858 ( 0.000 3.185 0.000) 3.185 12.929 ( 0.000 -4.709 0.000) 4.709 16.445 ( 0.000 -3.466 0.000) 3.466 16.454 ( 0.000 -4.362 0.000) 4.362 17.241 ( 0.000 3.428 0.000) 3.428 17.327 ( 0.000 -5.677 0.000) 5.677 17.901 ( 0.000 1.823 0.000) 1.823 17.936 ( 0.000 -1.839 0.000) 1.839 18.618 ( 0.000 2.915 0.000) 2.915 18.634 ( 0.000 1.252 0.000) 1.252 21.194 ( 0.000 3.879 0.000) 3.879 21.266 ( 0.000 -3.127 0.000) 3.127 21.619 ( 0.000 10.633 0.000) 10.633 21.800 ( 0.000 -7.886 0.000) 7.886 ======================= Grid point 45 (26/170) ======================= q-point: ( 0.09 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -6.927 16.020 -5.521) 18.306 2.239 ( 0.088 15.837 -3.158) 16.149 2.527 ( -2.763 -5.391 -1.971) 6.370 2.608 ( -0.594 -8.332 -2.346) 8.677 2.762 ( 2.734 0.559 2.059) 3.468 2.801 ( -0.116 -2.043 0.637) 2.143 2.912 ( -4.170 -1.601 0.632) 4.512 3.025 ( 1.132 -8.770 4.020) 9.714 3.203 ( 3.145 -0.818 -2.931) 4.376 3.220 ( 2.566 -3.356 -0.178) 4.228 3.589 ( 4.083 5.719 4.453) 8.319 3.716 ( 7.872 -7.632 7.666) 13.378 3.826 ( -4.266 1.677 7.227) 8.557 3.861 ( -3.959 -1.386 6.355) 7.614 4.437 ( -1.757 26.048 1.768) 26.167 4.544 ( -7.737 16.111 4.354) 18.395 4.718 ( -2.856 -3.681 -2.624) 5.347 4.905 ( -1.492 -10.549 2.598) 10.967 5.091 ( -6.172 4.772 -3.383) 8.504 5.209 ( -2.054 -7.092 -0.824) 7.429 5.373 ( -0.866 2.683 -3.902) 4.814 5.405 ( -0.470 -1.226 0.530) 1.416 5.473 ( 0.868 3.841 0.006) 3.938 5.630 ( -3.061 -6.275 1.781) 7.205 5.872 ( 7.349 7.571 2.411) 10.823 6.057 ( 2.403 -9.002 0.887) 9.359 6.250 ( -0.852 9.033 -4.701) 10.219 6.430 ( -6.328 -9.842 -2.924) 12.061 7.226 ( -0.263 -0.065 -2.804) 2.817 7.244 ( 1.651 -1.898 -1.660) 3.014 7.676 ( 10.551 4.990 2.487) 11.933 7.793 ( 8.716 -6.824 1.484) 11.169 8.402 ( -2.553 13.057 -1.245) 13.363 8.577 ( -2.965 -4.460 -2.525) 5.921 9.233 ( -1.087 2.235 0.604) 2.558 9.265 ( -1.304 -1.312 1.211) 2.211 9.794 ( 1.661 4.304 3.220) 5.626 9.896 ( 1.718 -6.417 7.533) 10.044 10.557 ( -6.148 8.564 0.516) 10.555 10.720 ( -6.035 -8.039 0.898) 10.092 10.926 ( 1.947 11.299 -1.825) 11.610 11.145 ( -5.145 8.334 -3.395) 10.366 11.157 ( 1.431 -12.106 -2.376) 12.420 11.301 ( -6.536 -7.647 -4.553) 11.042 12.180 ( 8.085 10.477 3.094) 13.591 12.359 ( 8.194 -7.929 2.585) 11.692 12.892 ( 5.204 2.754 -1.591) 6.099 12.949 ( 3.393 -3.583 -1.342) 5.114 16.519 ( 8.233 -2.346 -0.472) 8.573 16.536 ( 11.430 -4.152 -0.403) 12.168 17.130 ( -2.236 4.027 -13.605) 14.364 17.232 ( -0.176 -6.844 -13.345) 14.999 17.997 ( 3.396 1.827 9.038) 9.826 18.029 ( 3.153 -1.507 9.431) 10.057 18.541 ( -9.134 4.750 0.421) 10.304 18.585 ( -6.821 0.249 0.714) 6.863 21.197 ( 0.635 3.233 -0.421) 3.322 21.265 ( 0.674 -3.504 -1.370) 3.822 21.608 ( -3.545 10.078 3.335) 11.192 21.780 ( -3.744 -7.574 1.760) 8.630 ======================= Grid point 46 (27/170) ======================= q-point: ( 0.18 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -2.048 11.949 -2.759) 12.434 2.191 ( -1.210 3.017 -4.238) 5.341 2.481 ( 0.507 1.723 -0.432) 1.848 2.599 ( -0.549 -7.084 -0.062) 7.105 2.769 ( -1.897 0.421 -0.932) 2.155 2.839 ( 1.047 7.407 0.557) 7.501 2.858 ( -3.071 -6.958 3.125) 8.222 3.043 ( -0.494 -11.835 0.337) 11.850 3.201 ( 2.836 3.460 -4.300) 6.205 3.272 ( 3.859 -3.586 -1.100) 5.382 3.663 ( -2.980 4.115 -0.753) 5.136 3.710 ( -7.561 -1.245 -4.762) 9.022 3.922 ( -1.964 2.075 16.240) 16.490 3.997 ( 1.048 -4.799 20.279) 20.865 4.374 ( -11.104 13.554 2.931) 17.765 4.488 ( -7.187 19.486 8.364) 22.390 4.629 ( -6.658 -3.416 0.702) 7.516 4.905 ( -4.872 -10.862 5.509) 13.118 4.997 ( 0.394 5.728 -2.128) 6.123 5.110 ( -3.772 -8.566 -4.975) 10.599 5.349 ( 1.992 4.677 -2.721) 5.766 5.414 ( 0.647 -2.089 1.306) 2.547 5.513 ( 3.450 5.741 1.737) 6.920 5.666 ( 3.764 -6.772 2.427) 8.119 5.976 ( 2.216 5.578 -0.146) 6.004 6.068 ( -0.600 -3.291 -3.233) 4.652 6.163 ( -0.206 6.454 -7.032) 9.547 6.321 ( -2.082 -9.421 -2.242) 9.905 7.212 ( 2.771 2.557 -3.171) 4.927 7.270 ( 4.114 -3.337 -1.979) 5.655 7.886 ( 11.766 3.884 2.671) 12.674 7.957 ( 8.742 -3.375 1.316) 9.463 8.333 ( -3.873 10.567 -1.419) 11.343 8.484 ( -3.836 -4.550 -3.109) 6.714 9.252 ( 1.205 1.586 3.101) 3.686 9.282 ( 0.072 -1.744 3.912) 4.284 9.857 ( -0.953 6.865 5.286) 8.717 9.988 ( -2.787 -6.783 8.528) 11.248 10.469 ( -3.545 9.630 -0.719) 10.287 10.628 ( -5.012 -6.492 -0.275) 8.207 10.915 ( -1.831 8.327 -2.153) 8.794 10.993 ( -8.127 2.411 -4.207) 9.464 11.130 ( 0.090 -3.633 -7.179) 8.047 11.180 ( -1.534 -8.868 -0.793) 9.035 12.363 ( 9.230 8.337 4.330) 13.170 12.526 ( 8.248 -8.550 2.692) 12.181 12.972 ( 8.212 2.012 -3.900) 9.311 13.003 ( 6.316 -1.531 -3.072) 7.189 16.657 ( 9.185 4.131 -3.118) 10.543 16.769 ( 16.535 -7.448 -0.900) 18.157 16.947 ( 1.663 7.277 -14.406) 16.225 17.123 ( 7.547 -10.955 -12.353) 18.154 18.118 ( -0.157 4.956 4.716) 6.843 18.186 ( 2.803 -2.341 8.475) 9.228 18.367 ( -12.644 7.730 0.440) 14.826 18.468 ( -9.194 -2.754 3.558) 10.236 21.199 ( -1.062 1.669 1.210) 2.319 21.250 ( -1.775 -3.552 0.185) 3.975 21.585 ( -4.179 7.803 3.506) 9.521 21.724 ( -5.561 -6.587 1.433) 8.739 ======================= Grid point 47 (28/170) ======================= q-point: ( 0.27 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 2.903 5.193 3.139) 6.727 2.146 ( -0.253 -0.080 -0.418) 0.495 2.516 ( 3.261 2.335 0.512) 4.043 2.579 ( -1.201 -3.737 -0.698) 3.987 2.725 ( -2.376 2.417 -0.189) 3.395 2.797 ( -2.976 -3.921 -0.927) 5.009 2.896 ( 2.805 4.623 -0.503) 5.430 3.053 ( 2.188 -8.589 -0.613) 8.884 3.197 ( 1.385 4.762 -3.671) 6.170 3.299 ( -0.339 -4.981 -0.544) 5.022 3.515 ( -8.580 -0.680 -4.358) 9.648 3.527 ( -6.272 -1.834 -4.811) 8.115 4.016 ( -6.880 8.995 8.716) 14.290 4.154 ( -10.215 5.220 9.134) 14.664 4.181 ( -13.014 1.156 8.811) 15.759 4.436 ( -12.782 -12.187 3.470) 17.998 4.611 ( -3.050 11.498 17.186) 20.901 4.877 ( -9.095 -11.552 11.006) 18.365 5.033 ( 5.352 4.335 -3.463) 7.709 5.094 ( 9.013 0.537 -2.716) 9.428 5.341 ( 0.550 4.714 -3.064) 5.650 5.422 ( -0.622 -3.189 -1.116) 3.435 5.632 ( 5.548 5.734 4.288) 9.058 5.741 ( 2.963 -3.695 -3.113) 5.668 5.937 ( -0.514 4.670 -2.079) 5.138 6.009 ( 0.173 -3.337 -1.960) 3.874 6.146 ( 4.265 6.167 -4.244) 8.616 6.289 ( 0.814 -7.516 -4.234) 8.665 7.237 ( 4.389 4.139 -3.026) 6.748 7.319 ( 4.768 -4.134 -2.300) 6.717 8.056 ( 1.978 5.485 2.984) 6.550 8.104 ( 10.929 1.593 2.717) 11.374 8.259 ( -4.060 7.911 -0.751) 8.924 8.430 ( 1.210 -7.709 -1.461) 7.939 9.328 ( 2.382 0.294 4.230) 4.863 9.345 ( 1.474 -1.423 4.627) 5.060 9.847 ( -6.918 7.249 4.202) 10.866 9.970 ( -9.146 -5.232 5.826) 12.041 10.450 ( 2.806 8.118 -3.125) 9.140 10.583 ( 1.148 -5.172 -3.130) 6.154 10.789 ( -8.272 4.397 -2.623) 9.728 10.857 ( -4.739 -1.784 -0.762) 5.121 11.084 ( 0.894 1.792 -2.922) 3.542 11.169 ( 0.672 -6.577 -1.728) 6.833 12.553 ( 7.976 5.455 5.308) 11.025 12.666 ( 5.475 -6.443 3.363) 9.099 13.045 ( 8.044 1.451 -6.624) 10.521 13.064 ( 6.734 -0.697 -5.283) 8.587 16.681 ( 3.005 6.385 -7.860) 10.563 16.757 ( 0.032 -0.007 -10.618) 10.618 17.139 ( 22.657 0.905 -0.611) 22.683 17.256 ( 18.928 -9.727 -3.990) 21.652 18.054 ( -9.052 10.518 -1.034) 13.915 18.150 ( -10.780 3.635 -0.737) 11.400 18.309 ( -0.144 0.939 5.209) 5.295 18.421 ( -3.996 -6.878 5.030) 9.411 21.192 ( -4.012 0.230 5.026) 6.435 21.221 ( -4.745 -2.927 4.429) 7.120 21.550 ( -2.943 4.023 0.079) 4.985 21.638 ( -5.282 -5.071 -1.436) 7.462 ======================= Grid point 48 (29/170) ======================= q-point: ( 0.36 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 0.813 3.683 4.198) 5.643 2.230 ( 3.852 -3.734 7.935) 9.578 2.544 ( -0.843 2.801 -1.650) 3.358 2.592 ( 4.413 -2.157 -1.044) 5.022 2.690 ( 0.329 3.286 -1.945) 3.833 2.766 ( 1.605 -3.641 -0.560) 4.018 2.929 ( 3.224 9.267 -1.792) 9.974 3.059 ( -0.941 3.287 -4.753) 5.855 3.154 ( 0.048 -5.100 -3.638) 6.265 3.229 ( -5.565 -7.318 -0.537) 9.209 3.386 ( -3.471 0.567 -0.892) 3.628 3.452 ( -0.834 -4.806 -1.149) 5.011 3.923 ( -10.651 8.754 2.437) 14.000 3.964 ( -10.209 9.996 1.824) 14.404 4.116 ( -13.761 -10.802 6.136) 18.539 4.230 ( -14.820 -16.918 1.746) 22.559 4.821 ( 0.591 4.618 19.928) 20.465 4.900 ( -4.244 -3.279 12.377) 13.489 5.101 ( 5.797 9.667 -0.493) 11.283 5.237 ( 7.654 -2.850 1.882) 8.381 5.295 ( -1.226 5.328 -3.642) 6.569 5.384 ( -1.102 -2.676 -2.224) 3.650 5.619 ( -2.017 4.323 -8.745) 9.962 5.720 ( 2.309 -5.190 -8.525) 10.244 6.001 ( 3.929 5.748 6.660) 9.635 6.060 ( 1.688 1.535 2.946) 3.726 6.186 ( 5.924 0.044 -1.207) 6.046 6.239 ( 1.229 -3.277 -6.885) 7.724 7.269 ( 3.453 5.209 -2.795) 6.846 7.362 ( 3.601 -4.206 -1.841) 5.835 8.076 ( -2.444 10.617 3.138) 11.338 8.192 ( -3.843 6.623 0.185) 7.659 8.310 ( 9.874 0.384 3.919) 10.630 8.484 ( 5.377 -9.341 0.260) 10.781 9.375 ( -1.570 0.868 1.504) 2.341 9.405 ( 0.053 -2.216 2.357) 3.235 9.780 ( -4.949 5.080 3.635) 7.969 9.874 ( -7.885 -4.138 3.467) 9.556 10.437 ( 1.598 4.484 -6.390) 7.969 10.510 ( -2.920 -3.125 -7.940) 9.018 10.738 ( 1.515 4.990 3.207) 6.122 10.830 ( -1.398 -4.041 4.543) 6.239 11.064 ( -0.295 3.872 -2.284) 4.505 11.154 ( -0.183 -5.209 -1.741) 5.495 12.725 ( 5.802 2.745 6.095) 8.852 12.777 ( 3.068 -2.729 4.833) 6.341 13.071 ( 5.645 0.654 -8.122) 9.913 13.086 ( 4.347 -0.916 -6.704) 8.042 16.639 ( 2.131 4.403 -6.014) 7.752 16.669 ( 0.875 1.491 -6.779) 6.996 17.471 ( 16.416 4.913 1.896) 17.240 17.550 ( 20.609 -4.581 -0.644) 21.122 17.884 ( -8.922 13.231 -1.976) 16.080 18.013 ( -4.068 0.835 -1.082) 4.291 18.316 ( -3.943 -2.243 1.366) 4.738 18.396 ( -4.846 -8.000 1.990) 9.563 21.194 ( -4.674 -0.551 8.149) 9.411 21.210 ( -5.257 -2.258 8.068) 9.891 21.492 ( -1.643 0.282 -3.955) 4.292 21.531 ( -3.610 -3.630 -5.079) 7.212 ======================= Grid point 49 (30/170) ======================= q-point: ( 0.45 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 2.589 4.889 6.321) 8.400 2.332 ( -0.495 -3.555 1.936) 4.078 2.522 ( 0.559 1.764 -0.308) 1.876 2.562 ( -0.772 -2.081 -4.347) 4.880 2.777 ( 7.027 3.211 1.967) 7.972 2.821 ( 3.641 -0.725 1.135) 3.882 2.935 ( -4.260 5.796 -5.563) 9.094 2.958 ( 0.708 12.351 -0.437) 12.379 3.071 ( -3.839 -5.956 -2.627) 7.557 3.220 ( 1.221 -11.930 0.995) 12.034 3.343 ( -2.678 2.725 0.445) 3.847 3.430 ( -0.147 -5.215 -1.081) 5.328 3.833 ( -1.196 2.404 0.393) 2.714 3.888 ( -2.921 1.475 1.548) 3.620 3.952 ( -9.122 -8.552 1.265) 12.567 4.052 ( -7.977 -13.846 0.470) 15.987 4.951 ( -0.221 6.000 4.188) 7.320 5.025 ( 1.493 -1.970 8.654) 9.000 5.188 ( 0.283 7.118 6.146) 9.409 5.235 ( -1.229 3.272 -2.536) 4.319 5.345 ( 2.084 0.289 0.254) 2.120 5.378 ( 1.486 -1.504 4.058) 4.575 5.489 ( -1.445 4.703 -8.187) 9.552 5.626 ( 0.486 -8.283 -9.584) 12.677 6.063 ( -0.420 5.166 0.749) 5.237 6.108 ( -0.122 0.872 1.801) 2.005 6.221 ( 3.007 2.763 -1.933) 4.519 6.278 ( 3.162 -2.807 1.432) 4.464 7.282 ( 1.157 6.529 -1.301) 6.757 7.389 ( 1.439 -4.374 -0.671) 4.653 8.069 ( -1.365 11.188 1.359) 11.353 8.149 ( -1.685 6.650 0.209) 6.863 8.469 ( 4.782 -1.272 2.125) 5.385 8.565 ( 2.935 -7.327 0.795) 7.933 9.325 ( -2.878 2.862 -0.784) 4.134 9.394 ( -1.704 -4.268 -0.126) 4.598 9.780 ( -0.635 2.017 2.027) 2.929 9.834 ( -1.519 -3.160 2.193) 4.136 10.385 ( -0.117 0.764 -3.283) 3.373 10.396 ( -2.047 -0.319 -3.564) 4.123 10.814 ( 2.560 3.594 1.938) 4.820 10.875 ( 0.360 -2.192 2.853) 3.616 11.028 ( -0.906 4.951 -1.494) 5.250 11.130 ( -0.535 -5.169 -1.041) 5.300 12.854 ( 2.270 1.338 4.411) 5.138 12.861 ( 1.085 0.660 3.496) 3.720 13.054 ( 2.066 -0.766 -4.975) 5.441 13.061 ( 1.183 -1.391 -4.619) 4.967 16.621 ( 1.192 3.010 -2.017) 3.814 16.630 ( 0.334 2.148 -2.357) 3.207 17.645 ( 3.554 15.771 2.102) 16.302 17.752 ( -4.020 9.221 -0.873) 10.097 17.853 ( 14.995 2.171 -0.405) 15.156 18.012 ( 2.149 -2.894 -0.250) 3.613 18.229 ( -5.406 -6.769 -0.816) 8.701 18.318 ( -5.440 -10.203 0.356) 11.569 21.218 ( -2.170 -0.222 5.095) 5.542 21.234 ( -2.500 -1.884 6.414) 7.137 21.427 ( -0.343 -2.501 -3.919) 4.662 21.431 ( -1.133 -2.863 -4.653) 5.579 ======================= Grid point 99 (31/170) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -1.209 0.000 30.365) 30.389 0.679 ( 2.823 0.000 32.755) 32.876 1.299 ( -0.656 0.000 61.943) 61.947 2.474 ( -1.737 0.000 -9.985) 10.135 2.618 ( -2.710 0.000 -11.790) 12.097 3.037 ( 0.556 0.000 -0.397) 0.683 3.075 ( 4.519 0.000 6.193) 7.666 3.287 ( -1.073 0.000 -5.464) 5.569 3.373 ( -0.238 0.000 -2.384) 2.395 3.461 ( -2.841 0.000 3.253) 4.319 3.666 ( 2.480 0.000 2.746) 3.701 3.716 ( 0.476 0.000 -2.322) 2.370 3.937 ( -1.499 0.000 9.912) 10.025 4.111 ( -4.664 0.000 -4.356) 6.382 4.147 ( 5.345 0.000 -0.278) 5.352 4.296 ( 6.088 0.000 -1.374) 6.242 4.373 ( 1.837 0.000 -6.758) 7.003 4.379 ( -3.278 0.000 5.920) 6.767 4.473 ( 3.390 0.000 5.675) 6.611 4.794 ( 0.947 0.000 7.261) 7.323 5.086 ( -6.466 0.000 -6.426) 9.116 5.385 ( -4.104 0.000 4.035) 5.755 5.665 ( 8.513 0.000 1.616) 8.665 5.903 ( 1.905 0.000 -5.268) 5.602 5.904 ( -1.044 0.000 2.497) 2.707 6.207 ( 1.644 0.000 0.243) 1.662 6.337 ( -0.845 0.000 -3.076) 3.190 6.908 ( -8.436 0.000 -10.486) 13.458 7.289 ( 0.068 0.000 4.186) 4.186 7.438 ( -3.242 0.000 1.631) 3.629 7.450 ( 0.618 0.000 -2.832) 2.899 7.811 ( 3.760 0.000 -0.379) 3.779 7.860 ( 4.345 0.000 -2.142) 4.844 8.063 ( -3.931 0.000 -1.857) 4.347 8.918 ( 0.008 0.000 4.207) 4.207 9.493 ( -1.301 0.000 -2.923) 3.199 9.622 ( -0.865 0.000 0.567) 1.034 9.712 ( 0.745 0.000 -1.398) 1.584 10.320 ( 3.905 0.000 -0.490) 3.936 10.562 ( 0.084 0.000 -3.055) 3.056 10.884 ( -1.441 0.000 4.711) 4.926 11.289 ( 4.995 0.000 1.886) 5.339 11.361 ( -5.767 0.000 0.474) 5.787 11.728 ( -4.540 0.000 4.987) 6.743 11.770 ( 3.965 0.000 -0.505) 3.997 12.570 ( 0.277 0.000 -6.051) 6.057 12.789 ( -2.085 0.000 2.168) 3.008 13.158 ( -0.482 0.000 -2.707) 2.749 17.127 ( 3.716 0.000 -0.207) 3.722 17.217 ( -0.416 0.000 -0.123) 0.434 17.277 ( 2.720 0.000 -0.086) 2.722 17.684 ( -4.092 0.000 -9.914) 10.725 17.771 ( -2.797 0.000 0.609) 2.862 17.840 ( 2.221 0.000 -0.873) 2.387 18.135 ( -0.274 0.000 0.668) 0.722 18.220 ( 0.337 0.000 -0.285) 0.442 20.819 ( 1.948 0.000 7.346) 7.600 21.039 ( -1.380 0.000 -2.759) 3.085 21.573 ( 0.219 0.000 1.935) 1.947 21.944 ( -0.271 0.000 0.587) 0.646 ======================= Grid point 100 (32/170) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 17.421 0.000 24.480) 30.046 1.192 ( 16.539 0.000 27.378) 31.986 2.088 ( 17.242 0.000 49.149) 52.086 2.330 ( 0.672 0.000 -15.075) 15.090 2.462 ( 2.139 0.000 -14.081) 14.243 3.037 ( -1.705 0.000 2.357) 2.909 3.173 ( 0.293 0.000 0.194) 0.351 3.241 ( -11.491 0.000 -2.179) 11.696 3.291 ( 7.301 0.000 1.556) 7.465 3.518 ( 4.900 0.000 4.393) 6.581 3.675 ( -1.445 0.000 -0.738) 1.623 3.682 ( -1.828 0.000 -0.588) 1.920 3.936 ( 1.456 0.000 -7.901) 8.034 4.016 ( -5.672 0.000 5.298) 7.762 4.183 ( -17.424 0.000 -6.448) 18.578 4.300 ( 2.765 0.000 -5.222) 5.909 4.355 ( -2.383 0.000 7.368) 7.744 4.418 ( 11.994 0.000 7.221) 14.000 4.616 ( 5.468 0.000 6.829) 8.748 4.920 ( 2.660 0.000 8.398) 8.809 4.934 ( -2.886 0.000 -6.063) 6.715 5.360 ( -2.426 0.000 1.820) 3.033 5.629 ( -4.705 0.000 -11.072) 12.030 5.874 ( -7.539 0.000 6.815) 10.163 5.938 ( -0.037 0.000 3.873) 3.873 6.241 ( -5.119 0.000 -3.336) 6.110 6.299 ( 6.976 0.000 4.292) 8.191 6.759 ( 6.463 0.000 -17.625) 18.773 7.301 ( -3.874 0.000 3.403) 5.156 7.376 ( -5.562 0.000 -0.041) 5.562 7.418 ( -0.249 0.000 -3.511) 3.519 7.841 ( -6.708 0.000 -1.461) 6.866 7.924 ( 7.505 0.000 4.413) 8.706 8.056 ( 9.316 0.000 -4.126) 10.189 9.035 ( 7.294 0.000 5.874) 9.365 9.395 ( -2.308 0.000 -5.026) 5.531 9.607 ( -1.553 0.000 0.455) 1.618 9.747 ( 3.784 0.000 -1.130) 3.949 10.302 ( -4.861 0.000 4.664) 6.737 10.504 ( -1.813 0.000 -4.433) 4.789 10.909 ( -3.002 0.000 5.284) 6.077 11.233 ( -9.238 0.000 -1.683) 9.390 11.347 ( -2.027 0.000 3.987) 4.473 11.661 ( -4.836 0.000 -0.613) 4.875 11.912 ( 8.143 0.000 6.183) 10.225 12.543 ( 6.318 0.000 -8.577) 10.653 12.953 ( 13.784 0.000 -2.110) 13.945 13.127 ( 1.286 0.000 -3.454) 3.685 17.015 ( -15.728 0.000 1.667) 15.816 17.071 ( -15.101 0.000 -0.631) 15.115 17.168 ( -15.137 0.000 1.900) 15.256 17.395 ( -14.021 0.000 -16.143) 21.382 17.867 ( 11.307 0.000 0.491) 11.318 17.959 ( 11.845 0.000 -0.088) 11.846 18.191 ( 4.128 0.000 4.807) 6.336 18.294 ( 9.050 0.000 -0.467) 9.062 20.988 ( 8.505 0.000 5.684) 10.229 21.022 ( 3.626 0.000 -3.966) 5.373 21.609 ( -0.247 0.000 5.007) 5.013 21.933 ( -0.789 0.000 -0.857) 1.165 ======================= Grid point 101 (33/170) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 15.661 0.000 19.182) 24.763 1.741 ( 18.045 0.000 21.738) 28.252 2.173 ( 1.094 0.000 -13.976) 14.019 2.319 ( 3.579 0.000 -13.645) 14.107 2.806 ( 13.140 0.000 20.544) 24.387 2.946 ( -13.057 0.000 -2.165) 13.235 3.126 ( -1.202 0.000 5.903) 6.024 3.174 ( 1.548 0.000 -1.800) 2.374 3.472 ( 6.028 0.000 11.483) 12.969 3.594 ( 0.610 0.000 -0.289) 0.675 3.600 ( -3.718 0.000 -6.710) 7.671 3.770 ( -16.029 0.000 -4.369) 16.614 3.810 ( 11.810 0.000 6.916) 13.686 3.837 ( -6.349 0.000 -3.462) 7.231 4.021 ( 2.114 0.000 -0.608) 2.200 4.303 ( 11.545 0.000 -10.414) 15.548 4.388 ( -2.141 0.000 2.311) 3.150 4.621 ( 0.827 0.000 7.492) 7.538 4.811 ( 7.547 0.000 7.184) 10.419 4.873 ( -1.169 0.000 2.102) 2.406 5.006 ( 0.863 0.000 2.606) 2.745 5.385 ( -7.649 0.000 -12.641) 14.776 5.405 ( 4.733 0.000 4.519) 6.544 5.786 ( -10.451 0.000 3.102) 10.901 5.969 ( -1.498 0.000 3.978) 4.251 6.130 ( -4.582 0.000 -2.794) 5.366 6.478 ( 3.646 0.000 9.686) 10.350 6.656 ( 3.175 0.000 -16.565) 16.866 7.254 ( -7.196 0.000 4.504) 8.490 7.283 ( -3.616 0.000 -2.033) 4.149 7.360 ( -1.968 0.000 -4.393) 4.814 7.673 ( -8.724 0.000 -4.919) 10.015 8.117 ( 8.955 0.000 5.944) 10.748 8.185 ( 11.859 0.000 -4.728) 12.767 9.243 ( 8.941 0.000 5.451) 10.472 9.362 ( 3.933 0.000 -2.793) 4.823 9.599 ( 0.456 0.000 1.899) 1.953 9.787 ( 3.485 0.000 -2.130) 4.084 10.297 ( -3.060 0.000 5.519) 6.311 10.436 ( 0.649 0.000 -4.370) 4.418 10.891 ( -5.600 0.000 3.467) 6.587 11.045 ( -10.789 0.000 -3.762) 11.426 11.318 ( -7.394 0.000 4.869) 8.853 11.564 ( -5.958 0.000 -1.714) 6.200 12.145 ( 11.251 0.000 7.525) 13.535 12.562 ( 8.507 0.000 -10.433) 13.461 13.116 ( 9.267 0.000 -1.322) 9.361 13.136 ( 3.650 0.000 -1.522) 3.955 16.760 ( -18.060 0.000 2.033) 18.174 16.793 ( -17.961 0.000 -1.160) 17.999 16.922 ( -17.844 0.000 2.653) 18.040 16.959 ( -16.711 0.000 -15.887) 23.058 18.060 ( 11.797 0.000 0.145) 11.798 18.158 ( 12.488 0.000 0.178) 12.489 18.345 ( 5.931 0.000 7.333) 9.431 18.436 ( 8.140 0.000 0.199) 8.142 21.062 ( 6.260 0.000 -3.098) 6.985 21.152 ( 7.750 0.000 -0.843) 7.796 21.685 ( 0.481 0.000 8.796) 8.809 21.900 ( -0.789 0.000 -2.816) 2.925 ======================= Grid point 102 (34/170) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 8.298 0.000 11.154) 13.903 2.052 ( 5.103 0.000 -5.283) 7.345 2.254 ( 5.385 0.000 -10.030) 11.385 2.263 ( 15.532 0.000 13.130) 20.338 2.722 ( -12.255 0.000 1.975) 12.413 2.909 ( -6.332 0.000 -3.234) 7.110 3.118 ( -4.956 0.000 -3.503) 6.069 3.214 ( 0.991 0.000 6.942) 7.012 3.363 ( -9.260 0.000 -5.187) 10.613 3.408 ( -7.791 0.000 -11.036) 13.508 3.609 ( -0.316 0.000 6.087) 6.095 3.641 ( -13.614 0.000 -2.527) 13.846 3.945 ( 16.894 0.000 10.588) 19.938 4.071 ( 7.044 0.000 -3.376) 7.811 4.222 ( 10.402 0.000 5.193) 11.626 4.378 ( 10.252 0.000 8.068) 13.046 4.439 ( 16.141 0.000 -7.013) 17.599 4.648 ( 3.453 0.000 -5.671) 6.639 4.871 ( 3.147 0.000 -8.694) 9.246 4.951 ( 1.935 0.000 9.203) 9.404 5.115 ( 1.318 0.000 12.245) 12.316 5.165 ( -5.017 0.000 -7.113) 8.704 5.554 ( 3.887 0.000 6.758) 7.796 5.628 ( -8.586 0.000 -3.570) 9.299 5.986 ( -0.854 0.000 2.849) 2.974 6.032 ( -3.853 0.000 -3.216) 5.018 6.473 ( -5.981 0.000 -12.984) 14.295 6.548 ( -10.200 0.000 10.387) 14.558 7.186 ( -5.438 0.000 2.139) 5.843 7.245 ( -5.656 0.000 -5.913) 8.182 7.254 ( -0.965 0.000 3.201) 3.344 7.510 ( -4.960 0.000 -3.361) 5.992 8.306 ( 10.657 0.000 -5.777) 12.122 8.317 ( 8.828 0.000 4.294) 9.817 9.331 ( -0.819 0.000 -0.882) 1.204 9.448 ( 8.576 0.000 -0.467) 8.588 9.740 ( 10.260 0.000 7.528) 12.726 9.813 ( 3.908 0.000 -3.378) 5.165 10.321 ( -1.502 0.000 5.028) 5.247 10.461 ( 7.166 0.000 -2.042) 7.452 10.811 ( -7.677 0.000 1.265) 7.780 10.815 ( -11.916 0.000 -5.463) 13.109 11.242 ( -8.605 0.000 5.071) 9.988 11.443 ( -6.233 0.000 -2.293) 6.642 12.407 ( 10.775 0.000 7.795) 13.299 12.563 ( 6.475 0.000 -10.594) 12.416 13.206 ( 4.827 0.000 1.347) 5.011 13.214 ( 4.590 0.000 -0.596) 4.629 16.508 ( -15.533 0.000 -1.904) 15.650 16.515 ( -15.493 0.000 1.834) 15.601 16.583 ( -12.554 0.000 -8.913) 15.396 16.695 ( -15.438 0.000 4.211) 16.002 18.223 ( 8.727 0.000 -0.215) 8.730 18.336 ( 9.807 0.000 -0.107) 9.808 18.508 ( 4.586 0.000 5.945) 7.508 18.541 ( 5.571 0.000 -0.822) 5.631 21.145 ( 6.662 0.000 -0.683) 6.697 21.211 ( 4.128 0.000 -4.171) 5.868 21.799 ( 1.172 0.000 8.102) 8.186 21.849 ( -0.422 0.000 -4.567) 4.587 ======================= Grid point 103 (35/170) ======================= q-point: ( 0.36 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -2.833 0.000 2.579) 3.831 2.116 ( 6.920 0.000 -0.289) 6.926 2.231 ( 0.807 0.000 -5.596) 5.653 2.476 ( 1.441 0.000 0.239) 1.461 2.764 ( 3.513 0.000 15.279) 15.677 2.796 ( 2.546 0.000 -2.311) 3.439 3.008 ( -5.906 0.000 -0.163) 5.909 3.113 ( -13.029 0.000 -4.814) 13.890 3.237 ( -5.328 0.000 -5.939) 7.979 3.240 ( -0.922 0.000 -5.350) 5.429 3.456 ( -4.835 0.000 1.359) 5.022 3.685 ( -0.167 0.000 6.739) 6.741 4.114 ( -4.721 0.000 -5.516) 7.261 4.154 ( 8.493 0.000 -4.616) 9.666 4.295 ( 13.616 0.000 4.488) 14.336 4.512 ( -3.597 0.000 0.072) 3.597 4.762 ( 30.300 0.000 -19.011) 35.770 4.809 ( 2.548 0.000 -9.278) 9.621 4.841 ( 14.860 0.000 7.032) 16.439 5.033 ( -1.160 0.000 6.142) 6.251 5.161 ( 7.692 0.000 0.198) 7.695 5.236 ( -1.744 0.000 9.381) 9.541 5.496 ( -1.690 0.000 1.322) 2.145 5.635 ( -2.778 0.000 6.486) 7.056 5.922 ( -5.027 0.000 -6.239) 8.012 6.003 ( -0.097 0.000 0.547) 0.556 6.201 ( -12.252 0.000 -7.553) 14.394 6.409 ( -17.933 0.000 7.099) 19.287 7.092 ( -5.228 0.000 -3.337) 6.202 7.142 ( -3.774 0.000 3.184) 4.938 7.292 ( -1.189 0.000 5.202) 5.336 7.446 ( -1.273 0.000 -0.322) 1.313 8.388 ( 8.470 0.000 -6.665) 10.778 8.467 ( 5.521 0.000 1.478) 5.716 9.290 ( -0.846 0.000 -1.291) 1.544 9.584 ( 7.088 0.000 0.619) 7.115 9.849 ( 6.927 0.000 -4.459) 8.238 10.004 ( 11.789 0.000 7.320) 13.877 10.350 ( -2.370 0.000 5.059) 5.587 10.527 ( -7.121 0.000 -6.541) 9.670 10.611 ( 3.615 0.000 -1.745) 4.014 10.687 ( -7.472 0.000 -1.391) 7.600 11.170 ( -7.990 0.000 5.557) 9.732 11.333 ( -4.301 0.000 -1.933) 4.715 12.553 ( 5.532 0.000 -7.210) 9.087 12.632 ( 6.663 0.000 7.197) 9.807 13.248 ( 1.225 0.000 -1.104) 1.649 13.292 ( 2.838 0.000 2.171) 3.574 16.287 ( -10.459 0.000 -0.574) 10.474 16.324 ( -10.642 0.000 1.264) 10.717 16.388 ( -6.049 0.000 0.334) 6.059 16.542 ( -11.447 0.000 6.734) 13.281 18.325 ( 5.162 0.000 -1.024) 5.262 18.458 ( 6.012 0.000 -0.272) 6.018 18.593 ( 3.660 0.000 -2.683) 4.538 18.593 ( 1.843 0.000 -0.358) 1.878 21.225 ( 2.796 0.000 -1.848) 3.352 21.246 ( 4.737 0.000 2.256) 5.247 21.795 ( 0.842 0.000 -5.500) 5.564 21.874 ( -0.193 0.000 3.321) 3.326 ======================= Grid point 104 (36/170) ======================= q-point: ( 0.45 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -8.482 0.000 2.191) 8.760 2.218 ( 1.124 0.000 6.720) 6.814 2.251 ( 7.961 0.000 -3.888) 8.860 2.546 ( 7.583 0.000 -1.301) 7.694 2.706 ( -11.292 0.000 -5.072) 12.378 2.879 ( 3.735 0.000 -0.464) 3.763 2.959 ( -10.921 0.000 -4.944) 11.988 2.963 ( -0.110 0.000 4.888) 4.890 3.194 ( 1.506 0.000 -3.744) 4.035 3.216 ( 8.625 0.000 9.882) 13.117 3.434 ( -2.818 0.000 0.775) 2.922 3.696 ( -5.324 0.000 0.555) 5.353 4.019 ( 1.576 0.000 -3.183) 3.552 4.209 ( 6.951 0.000 -8.810) 11.222 4.422 ( -3.985 0.000 -3.679) 5.423 4.516 ( 9.341 0.000 1.398) 9.445 4.776 ( 4.817 0.000 -6.164) 7.823 4.842 ( -10.688 0.000 -0.677) 10.709 5.082 ( 29.662 0.000 -11.514) 31.819 5.098 ( -0.405 0.000 -6.692) 6.704 5.248 ( 10.842 0.000 1.077) 10.895 5.264 ( -4.044 0.000 4.728) 6.222 5.544 ( -18.031 0.000 -2.773) 18.243 5.637 ( -4.637 0.000 5.703) 7.350 5.826 ( 14.391 0.000 1.464) 14.466 5.954 ( -8.090 0.000 0.974) 8.149 6.033 ( -4.406 0.000 2.412) 5.022 6.201 ( -11.673 0.000 -0.286) 11.676 7.060 ( 1.529 0.000 3.835) 4.129 7.137 ( -2.689 0.000 4.745) 5.454 7.315 ( -2.972 0.000 5.036) 5.848 7.449 ( 0.219 0.000 2.167) 2.178 8.424 ( 5.859 0.000 -7.311) 9.369 8.507 ( 0.090 0.000 -2.488) 2.490 9.293 ( 1.200 0.000 0.847) 1.469 9.642 ( 0.700 0.000 -1.314) 1.489 9.945 ( 9.644 0.000 -3.068) 10.120 10.259 ( 5.375 0.000 -0.305) 5.384 10.268 ( -5.900 0.000 -0.948) 5.976 10.338 ( -7.393 0.000 5.868) 9.438 10.576 ( -1.613 0.000 -4.297) 4.590 10.682 ( 4.860 0.000 -4.198) 6.422 11.108 ( -7.326 0.000 4.986) 8.861 11.281 ( -0.264 0.000 -0.683) 0.733 12.601 ( 6.602 0.000 -0.902) 6.663 12.747 ( -1.501 0.000 5.156) 5.370 13.247 ( 1.112 0.000 -1.305) 1.714 13.329 ( -0.536 0.000 1.113) 1.236 16.175 ( -3.428 0.000 0.257) 3.437 16.216 ( -4.282 0.000 0.654) 4.332 16.398 ( -0.535 0.000 10.290) 10.304 16.486 ( -6.863 0.000 9.286) 11.547 18.362 ( 2.191 0.000 -2.699) 3.476 18.516 ( 1.957 0.000 -1.154) 2.272 18.556 ( -0.296 0.000 -7.539) 7.545 18.599 ( 1.842 0.000 -4.075) 4.472 21.273 ( 2.833 0.000 2.542) 3.806 21.328 ( 0.747 0.000 4.255) 4.320 21.766 ( 3.235 0.000 -4.981) 5.940 21.859 ( -2.693 0.000 -1.945) 3.322 ======================= Grid point 105 (37/170) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -3.426 0.000 -0.386) 3.447 2.301 ( -3.701 0.000 10.211) 10.860 2.356 ( 7.005 0.000 0.520) 7.024 2.445 ( -6.884 0.000 -9.370) 11.627 2.576 ( -7.491 0.000 -2.590) 7.926 2.886 ( 10.782 0.000 -3.002) 11.192 2.893 ( 1.090 0.000 2.811) 3.015 3.093 ( 5.120 0.000 6.563) 8.324 3.205 ( 3.883 0.000 -3.012) 4.914 3.369 ( -2.164 0.000 -2.369) 3.209 3.476 ( 7.833 0.000 9.933) 12.650 3.563 ( -5.431 0.000 -5.921) 8.034 4.077 ( 6.945 0.000 -2.189) 7.282 4.156 ( 4.356 0.000 -16.707) 17.265 4.330 ( -5.180 0.000 0.420) 5.197 4.515 ( -19.468 0.000 1.142) 19.502 4.615 ( -2.141 0.000 -12.628) 12.808 4.820 ( 5.623 0.000 -2.255) 6.059 5.057 ( -22.733 0.000 -9.691) 24.713 5.079 ( 0.924 0.000 4.019) 4.124 5.191 ( -6.490 0.000 1.957) 6.778 5.376 ( 7.570 0.000 -0.915) 7.625 5.462 ( 9.379 0.000 4.446) 10.379 5.635 ( -1.389 0.000 3.516) 3.781 5.829 ( -2.119 0.000 -1.756) 2.752 5.965 ( 1.719 0.000 -1.420) 2.230 6.054 ( -2.485 0.000 -5.793) 6.304 6.213 ( 16.387 0.000 5.803) 17.384 7.148 ( -2.268 0.000 3.472) 4.147 7.201 ( 6.594 0.000 7.273) 9.817 7.321 ( -3.743 0.000 6.320) 7.345 7.506 ( 1.782 0.000 6.311) 6.558 8.413 ( 3.175 0.000 -7.556) 8.196 8.415 ( -4.699 0.000 -7.384) 8.752 9.338 ( 1.735 0.000 2.872) 3.355 9.595 ( -2.839 0.000 -3.423) 4.447 10.004 ( -12.777 0.000 -4.588) 13.575 10.029 ( 2.077 0.000 -0.406) 2.116 10.269 ( -6.896 0.000 4.280) 8.116 10.495 ( 11.855 0.000 1.420) 11.940 10.553 ( 4.770 0.000 -4.948) 6.873 10.656 ( -1.233 0.000 -4.057) 4.240 11.066 ( -3.069 0.000 3.274) 4.487 11.310 ( 3.901 0.000 0.556) 3.940 12.688 ( -10.077 0.000 1.359) 10.168 12.730 ( 6.434 0.000 4.679) 7.955 13.269 ( 2.049 0.000 0.486) 2.106 13.299 ( -3.486 0.000 -0.568) 3.532 16.188 ( 4.376 0.000 0.721) 4.435 16.208 ( 2.668 0.000 0.176) 2.674 16.530 ( -2.062 0.000 11.335) 11.521 16.583 ( 4.381 0.000 17.452) 17.993 18.337 ( 0.173 0.000 -5.140) 5.143 18.411 ( -1.337 0.000 -13.520) 13.586 18.520 ( -1.884 0.000 -0.289) 1.906 18.562 ( -0.596 0.000 -4.446) 4.485 21.354 ( -3.173 0.000 3.940) 5.058 21.357 ( 2.082 0.000 5.037) 5.450 21.749 ( -5.499 0.000 -6.105) 8.217 21.790 ( 4.900 0.000 -2.701) 5.595 ======================= Grid point 106 (38/170) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -12.404 0.000 -7.039) 14.262 2.088 ( -19.623 0.000 -10.714) 22.358 2.361 ( -1.886 0.000 8.464) 8.672 2.463 ( 4.475 0.000 2.099) 4.943 2.599 ( 7.736 0.000 2.662) 8.181 2.992 ( 4.746 0.000 -5.224) 7.058 3.042 ( 7.339 0.000 7.835) 10.735 3.198 ( 4.877 0.000 -5.859) 7.623 3.235 ( 0.026 0.000 4.744) 4.745 3.376 ( 7.453 0.000 -1.638) 7.631 3.444 ( -1.133 0.000 -5.182) 5.305 3.664 ( 7.224 0.000 0.789) 7.267 3.979 ( -17.335 0.000 -11.753) 20.944 4.017 ( 1.532 0.000 -13.966) 14.049 4.247 ( -4.116 0.000 1.860) 4.517 4.267 ( -5.185 0.000 2.878) 5.930 4.337 ( -20.140 0.000 -8.223) 21.754 4.711 ( -4.283 0.000 -4.786) 6.422 4.847 ( -1.495 0.000 -1.419) 2.061 5.105 ( -5.997 0.000 1.117) 6.101 5.289 ( 10.596 0.000 10.708) 15.065 5.290 ( -16.045 0.000 5.162) 16.855 5.558 ( -7.036 0.000 -3.853) 8.022 5.634 ( 5.733 0.000 4.652) 7.383 5.919 ( 4.647 0.000 0.591) 4.685 5.973 ( 2.380 0.000 -2.225) 3.258 6.062 ( 14.633 0.000 -6.251) 15.913 6.508 ( 16.296 0.000 0.398) 16.300 7.136 ( -2.013 0.000 1.104) 2.296 7.342 ( -3.143 0.000 7.056) 7.725 7.354 ( 4.844 0.000 2.783) 5.586 7.660 ( 4.252 0.000 11.964) 12.697 8.218 ( -7.060 0.000 -10.065) 12.295 8.360 ( 0.420 0.000 -7.145) 7.158 9.397 ( 0.442 0.000 3.429) 3.457 9.496 ( -4.150 0.000 -3.670) 5.540 9.759 ( -13.164 0.000 -2.760) 13.450 10.004 ( -5.084 0.000 2.063) 5.486 10.226 ( -3.829 0.000 2.175) 4.404 10.529 ( -1.422 0.000 -4.624) 4.838 10.600 ( 7.763 0.000 -5.272) 9.384 10.725 ( 9.740 0.000 1.266) 9.822 11.096 ( 2.724 0.000 2.540) 3.725 11.402 ( 5.999 0.000 1.170) 6.112 12.490 ( -14.210 0.000 -1.396) 14.278 12.877 ( 2.671 0.000 7.655) 8.107 13.217 ( -4.297 0.000 -2.438) 4.940 13.307 ( 0.456 0.000 2.404) 2.447 16.303 ( 9.293 0.000 -0.031) 9.293 16.321 ( 11.178 0.000 0.839) 11.209 16.668 ( 2.377 0.000 13.045) 13.260 16.907 ( 9.699 0.000 20.669) 22.832 18.228 ( -1.811 0.000 -14.751) 14.862 18.257 ( -1.375 0.000 -7.660) 7.783 18.459 ( -5.510 0.000 -0.203) 5.514 18.481 ( -3.593 0.000 -4.400) 5.681 21.324 ( -4.878 0.000 2.489) 5.477 21.424 ( -2.521 0.000 4.987) 5.588 21.568 ( -5.403 0.000 -8.612) 10.167 21.846 ( 4.098 0.000 -0.577) 4.138 ======================= Grid point 107 (39/170) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -22.429 0.000 -10.690) 24.846 1.611 ( -26.123 0.000 -9.893) 27.933 2.489 ( -10.121 0.000 -1.496) 10.231 2.498 ( 4.505 0.000 11.141) 12.017 2.785 ( 13.758 0.000 -0.779) 13.780 2.849 ( -23.550 0.000 -3.016) 23.742 2.956 ( -0.671 0.000 -3.652) 3.713 3.235 ( -2.934 0.000 0.335) 2.953 3.353 ( 3.351 0.000 -0.532) 3.393 3.436 ( 10.224 0.000 -1.573) 10.344 3.503 ( 8.110 0.000 -2.799) 8.580 3.682 ( 6.365 0.000 -12.944) 14.424 3.729 ( 0.273 0.000 -3.722) 3.732 3.938 ( -18.736 0.000 -0.802) 18.753 3.983 ( 3.372 0.000 0.690) 3.442 4.225 ( 1.662 0.000 -3.841) 4.185 4.235 ( -4.040 0.000 4.767) 6.249 4.735 ( -8.472 0.000 -3.029) 8.997 4.751 ( 9.263 0.000 -0.331) 9.269 4.989 ( -8.275 0.000 -3.146) 8.853 5.062 ( -18.963 0.000 3.590) 19.300 5.441 ( -2.059 0.000 -2.068) 2.918 5.586 ( 10.234 0.000 10.619) 14.747 5.742 ( 0.111 0.000 7.316) 7.317 5.954 ( -1.106 0.000 2.978) 3.176 6.004 ( 6.775 0.000 -4.365) 8.059 6.229 ( 10.207 0.000 -4.483) 11.149 6.731 ( 13.733 0.000 -2.544) 13.966 7.131 ( 0.977 0.000 0.181) 0.994 7.371 ( -1.927 0.000 5.315) 5.654 7.426 ( 2.918 0.000 0.054) 2.918 7.846 ( 2.514 0.000 9.964) 10.277 8.008 ( -5.927 0.000 -8.267) 10.172 8.269 ( -2.903 0.000 -6.051) 6.711 9.350 ( -11.792 0.000 0.534) 11.804 9.413 ( -1.449 0.000 -2.175) 2.613 9.593 ( -3.280 0.000 0.159) 3.283 9.941 ( -5.636 0.000 2.000) 5.980 10.183 ( -4.822 0.000 2.357) 5.367 10.494 ( 1.424 0.000 -1.292) 1.923 10.666 ( 7.764 0.000 -5.295) 9.397 10.879 ( 10.008 0.000 -1.276) 10.089 11.197 ( 5.792 0.000 2.921) 6.487 11.510 ( 5.714 0.000 1.248) 5.849 12.236 ( -14.730 0.000 -2.477) 14.937 12.929 ( -7.232 0.000 5.746) 9.237 13.156 ( 1.086 0.000 -1.752) 2.061 13.335 ( -1.232 0.000 4.027) 4.211 16.494 ( 14.644 0.000 0.174) 14.645 16.545 ( 15.909 0.000 0.654) 15.923 16.882 ( 5.447 0.000 14.106) 15.121 17.319 ( 13.691 0.000 19.516) 23.839 18.043 ( -1.680 0.000 -13.296) 13.402 18.128 ( -3.071 0.000 -9.245) 9.741 18.345 ( -8.706 0.000 -0.071) 8.706 18.351 ( -6.650 0.000 -4.601) 8.087 21.263 ( -5.014 0.000 0.866) 5.089 21.266 ( -13.884 0.000 -4.235) 14.516 21.519 ( 1.971 0.000 -0.757) 2.112 21.896 ( 2.290 0.000 0.305) 2.311 ======================= Grid point 108 (40/170) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -28.098 0.000 -3.305) 28.292 1.072 ( -31.393 0.000 -4.664) 31.738 1.859 ( -53.149 0.000 -0.785) 53.155 2.652 ( -0.547 0.000 5.630) 5.657 2.761 ( -0.090 0.000 5.876) 5.877 2.946 ( 3.055 0.000 0.036) 3.056 3.018 ( 18.488 0.000 -2.219) 18.621 3.154 ( -5.957 0.000 -5.064) 7.819 3.290 ( 0.235 0.000 -6.578) 6.582 3.496 ( -5.811 0.000 0.689) 5.852 3.505 ( 3.029 0.000 -6.780) 7.426 3.676 ( 2.414 0.000 -1.783) 3.002 3.725 ( 6.978 0.000 -0.905) 7.036 3.888 ( 2.086 0.000 1.454) 2.542 4.062 ( 4.497 0.000 0.329) 4.509 4.247 ( -1.574 0.000 5.234) 5.466 4.300 ( 10.493 0.000 0.590) 10.509 4.546 ( -9.155 0.000 -5.002) 10.432 4.770 ( -15.652 0.000 -3.679) 16.079 4.836 ( -9.574 0.000 0.766) 9.605 4.905 ( 11.459 0.000 -3.309) 11.927 5.417 ( -1.984 0.000 1.515) 2.497 5.759 ( -1.393 0.000 8.365) 8.480 5.820 ( 1.257 0.000 2.447) 2.751 5.952 ( -2.929 0.000 2.399) 3.786 6.124 ( 12.444 0.000 -0.841) 12.472 6.265 ( 0.023 0.000 -2.150) 2.150 6.895 ( 10.424 0.000 -0.757) 10.451 7.169 ( 3.326 0.000 -0.006) 3.326 7.403 ( -0.170 0.000 3.758) 3.762 7.456 ( 1.822 0.000 -1.309) 2.244 7.867 ( -3.012 0.000 -4.711) 5.592 7.941 ( 0.404 0.000 4.096) 4.116 8.132 ( -6.809 0.000 -4.983) 8.438 9.124 ( -14.232 0.000 -0.097) 14.232 9.414 ( 3.400 0.000 -0.855) 3.505 9.598 ( 0.679 0.000 1.282) 1.451 9.866 ( -5.751 0.000 0.129) 5.752 10.132 ( -5.887 0.000 4.117) 7.183 10.528 ( 3.426 0.000 -0.732) 3.504 10.730 ( 6.652 0.000 -3.204) 7.384 11.021 ( 10.022 0.000 -1.211) 10.094 11.319 ( 5.050 0.000 2.751) 5.751 11.600 ( 3.994 0.000 1.039) 4.127 11.996 ( -11.990 0.000 -2.201) 12.190 12.811 ( -9.730 0.000 0.150) 9.731 13.183 ( 1.265 0.000 0.698) 1.445 13.361 ( -0.802 0.000 3.077) 3.180 16.755 ( 17.507 0.000 0.608) 17.517 16.819 ( 17.748 0.000 0.370) 17.752 17.113 ( 5.968 0.000 8.241) 10.175 17.718 ( 12.126 0.000 13.270) 17.976 17.893 ( -0.376 0.000 -10.757) 10.764 17.979 ( -5.211 0.000 -3.510) 6.282 18.175 ( -8.783 0.000 -4.793) 10.006 18.195 ( -10.014 0.000 0.658) 10.036 20.998 ( -14.058 0.000 -2.761) 14.327 21.191 ( -3.985 0.000 -0.976) 4.103 21.539 ( 1.208 0.000 -0.236) 1.230 21.924 ( 0.824 0.000 0.347) 0.894 ======================= Grid point 109 (41/170) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -23.047 0.000 23.408) 32.850 0.605 ( -29.070 0.000 14.258) 32.379 1.116 ( -51.562 0.000 30.750) 60.035 2.603 ( -4.961 0.000 -3.154) 5.879 2.775 ( -4.246 0.000 -3.272) 5.361 3.003 ( -1.435 0.000 -1.772) 2.280 3.012 ( 3.947 0.000 -0.796) 4.026 3.280 ( 13.719 0.000 -0.313) 13.723 3.313 ( 3.629 0.000 1.587) 3.961 3.444 ( -1.717 0.000 5.777) 6.027 3.545 ( 7.637 0.000 -0.462) 7.651 3.711 ( 2.928 0.000 -2.003) 3.547 3.825 ( 1.010 0.000 7.824) 7.889 3.964 ( 5.174 0.000 12.855) 13.857 4.110 ( 3.061 0.000 -2.988) 4.278 4.268 ( -2.040 0.000 -1.732) 2.676 4.386 ( -5.310 0.000 1.422) 5.498 4.424 ( 4.809 0.000 -6.740) 8.280 4.510 ( -9.301 0.000 -4.451) 10.311 4.755 ( -3.351 0.000 2.896) 4.429 5.049 ( 11.632 0.000 -0.506) 11.643 5.401 ( -3.275 0.000 3.259) 4.620 5.688 ( -9.113 0.000 -5.573) 10.682 5.878 ( 3.521 0.000 1.782) 3.946 5.921 ( -3.577 0.000 1.900) 4.051 6.222 ( -2.304 0.000 -0.804) 2.440 6.298 ( 8.178 0.000 -0.551) 8.196 7.055 ( 5.002 0.000 2.626) 5.650 7.227 ( 2.646 0.000 2.087) 3.370 7.440 ( -0.387 0.000 2.902) 2.927 7.460 ( 1.356 0.000 -2.095) 2.495 7.804 ( 0.066 0.000 -2.869) 2.870 7.915 ( -2.479 0.000 -10.804) 11.085 8.041 ( -0.186 0.000 7.983) 7.985 8.950 ( -8.265 0.000 1.857) 8.471 9.468 ( 3.851 0.000 -0.991) 3.977 9.619 ( 0.139 0.000 0.984) 0.993 9.770 ( -5.003 0.000 -0.864) 5.077 10.134 ( 0.375 0.000 10.000) 10.007 10.565 ( 2.628 0.000 -1.704) 3.132 10.814 ( 5.474 0.000 1.353) 5.639 11.165 ( 8.904 0.000 0.080) 8.904 11.392 ( 0.302 0.000 1.903) 1.927 11.661 ( 2.555 0.000 1.624) 3.028 11.830 ( -6.793 0.000 -0.567) 6.817 12.667 ( -5.874 0.000 -3.191) 6.685 13.188 ( -0.614 0.000 -0.598) 0.857 13.248 ( -13.536 0.000 -19.845) 24.022 17.014 ( 12.499 0.000 -2.264) 12.702 17.085 ( 14.644 0.000 0.141) 14.645 17.164 ( 6.309 0.000 -8.625) 10.686 17.794 ( 0.058 0.000 -7.400) 7.400 17.884 ( -2.750 0.000 0.719) 2.842 17.907 ( -11.604 0.000 3.040) 11.996 18.097 ( 2.299 0.000 14.236) 14.420 18.119 ( -0.514 0.000 3.090) 3.132 20.811 ( -8.338 0.000 2.714) 8.768 21.118 ( -2.888 0.000 -2.968) 4.141 21.554 ( 0.731 0.000 0.333) 0.804 21.933 ( 0.162 0.000 0.492) 0.518 ======================= Grid point 110 (42/170) ======================= q-point: ( 0.00 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -4.490 26.003 18.978) 32.504 1.011 ( 0.124 23.865 24.159) 33.959 1.648 ( 2.488 34.595 45.707) 57.377 2.522 ( -1.102 3.549 -10.780) 11.403 2.640 ( -2.320 2.302 -8.061) 8.698 3.006 ( 1.554 -5.994 3.422) 7.075 3.043 ( 0.552 -0.435 -2.042) 2.159 3.295 ( 0.443 1.312 -5.381) 5.556 3.361 ( 0.173 -0.803 -3.622) 3.714 3.415 ( 1.565 -3.593 4.643) 6.075 3.658 ( -0.003 -4.923 -0.559) 4.954 3.702 ( 0.420 1.229 -2.354) 2.688 3.969 ( -1.627 1.990 11.216) 11.507 4.031 ( -6.390 -9.075 1.580) 11.211 4.079 ( 3.935 -7.940 11.797) 14.755 4.215 ( 7.064 0.003 -2.862) 7.621 4.373 ( 2.320 7.042 -1.940) 7.664 4.494 ( 2.190 3.237 0.905) 4.012 4.584 ( 1.401 12.490 -1.063) 12.613 4.846 ( -0.603 5.213 5.764) 7.795 5.084 ( -5.356 -0.017 -5.987) 8.033 5.439 ( -3.763 3.174 -1.649) 5.192 5.693 ( 6.660 3.332 1.878) 7.680 5.790 ( -4.970 -6.547 4.507) 9.375 5.889 ( -0.410 -1.857 -4.384) 4.779 6.154 ( 0.579 -4.188 -0.390) 4.246 6.346 ( 0.039 -0.290 -2.084) 2.104 6.885 ( -2.319 -1.593 -4.341) 5.173 7.287 ( 0.730 -1.076 1.575) 2.042 7.459 ( -2.987 0.872 0.111) 3.114 7.548 ( -1.721 6.968 -1.608) 7.355 7.709 ( 6.324 -4.568 1.645) 7.973 7.995 ( 3.953 -0.643 -0.277) 4.014 8.028 ( -3.165 9.804 0.016) 10.302 9.037 ( -1.042 6.105 -0.757) 6.239 9.463 ( -0.123 -2.983 -0.666) 3.059 9.658 ( -1.566 0.921 -4.264) 4.635 9.858 ( -0.477 11.811 -7.269) 13.877 10.337 ( 3.638 1.900 -0.107) 4.105 10.612 ( 0.230 4.611 -3.708) 5.921 10.830 ( -1.935 -4.976 3.632) 6.457 11.251 ( 3.150 -3.683 3.914) 6.230 11.376 ( -4.035 1.493 -3.385) 5.475 11.720 ( -6.496 -2.138 1.201) 6.943 11.758 ( 6.370 -0.170 5.512) 8.425 12.579 ( -0.087 -6.018 7.873) 9.910 12.612 ( 0.294 -0.908 0.164) 0.968 13.193 ( -0.801 -0.935 -6.096) 6.219 16.992 ( 2.110 -6.790 -5.198) 8.808 17.080 ( -2.841 -12.466 -0.157) 12.787 17.145 ( -0.418 -11.283 -0.512) 11.302 17.579 ( -1.872 -7.815 -11.285) 13.854 17.859 ( 1.764 5.423 2.338) 6.163 18.021 ( -1.186 9.037 -0.645) 9.138 18.229 ( 1.171 7.688 1.822) 7.987 18.293 ( -0.724 6.939 0.025) 6.976 20.888 ( 1.665 6.963 6.136) 9.429 21.042 ( 0.670 0.488 -2.622) 2.750 21.561 ( 0.144 -1.169 2.388) 2.663 21.951 ( -0.198 0.673 0.683) 0.979 ======================= Grid point 111 (43/170) ======================= q-point: ( 0.09 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 11.582 12.917 22.195) 28.171 1.384 ( 10.063 15.026 24.131) 30.156 2.334 ( 17.362 24.019 40.415) 50.117 2.374 ( 0.205 3.502 -14.577) 14.993 2.521 ( 1.677 5.977 -12.130) 13.626 3.017 ( -1.916 -2.038 1.401) 3.128 3.061 ( -1.323 -10.007 1.815) 10.256 3.257 ( -6.622 0.295 -4.420) 7.967 3.311 ( 5.801 2.496 1.548) 6.503 3.483 ( 3.842 -3.746 1.586) 5.595 3.623 ( -1.897 -6.874 -3.763) 8.063 3.667 ( -0.369 -2.001 -1.091) 2.309 3.866 ( -5.594 -4.256 -3.886) 8.031 4.026 ( -6.297 1.197 7.080) 9.551 4.156 ( -8.614 -0.444 5.136) 10.039 4.301 ( -0.127 3.394 -7.532) 8.263 4.440 ( 3.017 5.141 14.698) 15.860 4.554 ( 8.958 10.022 -2.256) 13.630 4.652 ( 4.950 4.502 3.447) 7.526 4.912 ( -0.889 0.051 -0.781) 1.185 4.964 ( -0.129 3.213 2.796) 4.261 5.378 ( -1.171 2.147 -1.135) 2.696 5.669 ( -5.551 2.811 -6.966) 9.341 5.750 ( -6.374 -7.329 2.057) 9.928 5.946 ( 5.597 -1.051 3.440) 6.653 6.175 ( 0.735 -4.375 -1.350) 4.637 6.321 ( 0.521 -0.693 2.158) 2.326 6.768 ( 0.416 -0.224 -12.175) 12.185 7.284 ( -4.070 -1.887 1.865) 4.858 7.404 ( -1.856 -0.552 -0.823) 2.104 7.485 ( -3.972 8.067 -1.836) 9.177 7.870 ( 4.291 1.660 2.482) 5.228 7.927 ( -2.501 2.058 -0.065) 3.240 8.105 ( 9.936 4.999 -2.803) 11.470 9.078 ( 4.818 3.649 4.050) 7.276 9.403 ( -1.806 0.754 -3.571) 4.072 9.643 ( 0.039 0.982 0.818) 1.279 9.797 ( 1.429 7.309 -4.834) 8.879 10.324 ( -5.404 2.190 5.112) 7.754 10.539 ( -2.282 3.499 -5.276) 6.730 10.856 ( -1.692 -5.253 4.946) 7.411 11.224 ( -9.651 -0.888 -2.780) 10.083 11.310 ( -1.502 -3.476 3.499) 5.156 11.641 ( -4.105 -2.626 -1.488) 5.095 11.945 ( 8.140 3.283 7.918) 11.821 12.577 ( 6.273 3.328 -8.110) 10.780 12.841 ( 12.992 -8.561 4.366) 16.160 13.125 ( 0.931 -1.699 -5.698) 6.019 16.815 ( -13.672 -9.721 -1.968) 16.891 16.988 ( -13.930 -10.652 -2.929) 17.779 17.168 ( 3.142 -5.630 -0.473) 6.464 17.446 ( -3.048 -0.388 -11.779) 12.173 17.807 ( -4.265 3.227 -0.293) 5.356 18.073 ( 2.967 4.166 0.496) 5.138 18.183 ( 2.340 4.295 3.263) 5.880 18.393 ( 6.330 6.252 3.650) 9.617 21.017 ( 5.263 3.529 2.602) 6.850 21.061 ( 6.638 2.799 -2.417) 7.598 21.600 ( -0.668 -0.817 5.784) 5.880 21.939 ( -1.289 0.501 -0.693) 1.547 ======================= Grid point 112 (44/170) ======================= q-point: ( 0.18 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 15.819 6.107 18.786) 25.307 1.808 ( 12.044 6.358 20.877) 24.927 2.224 ( 0.765 4.559 -12.666) 13.483 2.404 ( 2.782 7.983 -13.908) 16.276 2.891 ( 4.975 6.074 11.610) 14.015 2.934 ( -8.434 -0.141 0.930) 8.486 3.054 ( 0.604 -6.455 2.930) 7.115 3.159 ( -0.566 -1.706 -0.577) 1.888 3.474 ( -3.556 -9.112 -6.916) 11.980 3.517 ( 6.017 2.406 9.736) 11.696 3.579 ( 0.912 -3.726 -3.057) 4.905 3.744 ( -9.139 1.609 3.451) 9.901 3.752 ( 11.074 -5.036 7.843) 14.475 3.859 ( -8.408 0.237 -5.045) 9.808 4.055 ( -3.733 3.816 1.221) 5.476 4.332 ( 9.480 6.646 -4.231) 12.327 4.514 ( -2.015 7.059 0.933) 7.400 4.667 ( 1.279 4.919 3.870) 6.388 4.838 ( 7.731 2.581 6.102) 10.182 4.905 ( 1.550 3.881 3.189) 5.257 5.016 ( 0.951 1.264 2.057) 2.595 5.380 ( 1.341 2.084 -4.806) 5.407 5.495 ( -3.059 6.014 -3.168) 7.454 5.661 ( -7.161 -9.009 1.361) 11.588 6.014 ( -1.828 2.156 3.085) 4.184 6.134 ( -2.140 -0.058 -1.101) 2.408 6.413 ( 0.133 -7.358 8.213) 11.028 6.631 ( 0.423 -2.492 -14.631) 14.847 7.216 ( -5.197 -3.414 0.748) 6.262 7.377 ( -3.532 6.340 0.406) 7.269 7.401 ( -2.135 5.522 -1.801) 6.189 7.720 ( -8.965 5.196 -5.611) 11.784 8.109 ( 10.437 -0.034 4.892) 11.526 8.238 ( 10.779 4.447 -3.114) 12.069 9.251 ( 8.205 0.811 5.464) 9.892 9.379 ( 2.947 1.822 -2.011) 4.006 9.645 ( -0.360 3.399 1.685) 3.811 9.795 ( 3.365 2.304 -3.204) 5.187 10.313 ( -3.891 1.561 6.197) 7.482 10.456 ( 0.005 1.964 -4.895) 5.274 10.860 ( -3.757 -2.964 3.087) 5.695 11.021 ( -10.543 -2.217 -4.746) 11.773 11.291 ( -6.584 -2.655 4.985) 8.674 11.545 ( -5.566 -2.324 -2.266) 6.443 12.184 ( 10.623 3.894 8.228) 13.990 12.599 ( 8.329 3.679 -9.921) 13.466 13.043 ( 8.574 -6.325 1.448) 10.753 13.113 ( 4.196 -3.046 -3.205) 6.096 16.580 ( -12.914 -7.554 -2.018) 15.097 16.714 ( -13.616 -7.940 -4.717) 16.453 17.066 ( -14.659 11.272 0.429) 18.497 17.179 ( -15.139 12.700 -7.580) 21.164 17.854 ( 9.465 -11.455 -0.058) 14.859 18.167 ( 8.963 -8.652 0.879) 12.489 18.327 ( 7.134 4.797 3.551) 9.301 18.525 ( 4.537 4.909 4.223) 7.906 21.079 ( 5.159 2.106 -2.198) 5.990 21.176 ( 7.706 1.789 -2.500) 8.297 21.675 ( -0.285 -1.008 9.257) 9.316 21.897 ( -1.698 -0.457 -2.653) 3.183 ======================= Grid point 113 (45/170) ======================= q-point: ( 0.27 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 6.600 4.709 12.187) 14.638 2.122 ( 4.546 6.951 -3.616) 9.059 2.250 ( 13.601 -1.041 11.756) 18.007 2.320 ( 4.784 6.409 -10.596) 13.275 2.715 ( -11.745 -1.022 1.530) 11.889 2.942 ( -6.417 2.565 -2.941) 7.510 3.061 ( -3.835 -5.914 -0.693) 7.083 3.195 ( 2.965 -1.856 3.321) 4.823 3.234 ( -7.684 -9.680 -11.117) 16.623 3.430 ( -9.297 0.562 -3.870) 10.086 3.586 ( -0.881 -1.436 3.211) 3.626 3.654 ( -12.520 0.048 -1.901) 12.664 3.917 ( 14.031 -4.213 5.695) 15.718 4.024 ( 5.825 -4.255 1.617) 7.393 4.268 ( 16.393 5.286 8.679) 19.287 4.387 ( 5.436 5.604 -0.778) 7.846 4.531 ( 7.607 6.747 0.020) 10.168 4.690 ( 3.753 4.340 -5.838) 8.186 4.871 ( -0.184 -0.089 -5.530) 5.534 5.028 ( 5.231 7.116 6.252) 10.821 5.114 ( 2.359 1.377 8.805) 9.219 5.288 ( -1.113 9.024 -3.846) 9.872 5.469 ( -4.869 -7.038 -1.534) 8.694 5.626 ( 0.059 0.256 3.853) 3.862 5.994 ( -2.070 1.033 1.725) 2.886 6.090 ( -2.908 4.130 -1.524) 5.276 6.391 ( -8.853 -8.665 -3.845) 12.971 6.483 ( -7.183 -6.090 0.556) 9.434 7.150 ( -3.062 -3.707 -1.899) 5.170 7.306 ( -5.009 11.369 1.885) 12.565 7.386 ( -0.934 6.435 1.346) 6.641 7.533 ( -6.382 3.893 -4.664) 8.812 8.311 ( 10.729 1.109 0.229) 10.788 8.369 ( 9.193 4.212 -1.186) 10.181 9.338 ( -0.955 0.914 -1.176) 1.769 9.456 ( 7.353 0.717 0.276) 7.393 9.744 ( 7.080 -0.200 6.801) 9.819 9.820 ( 4.761 1.644 -3.119) 5.924 10.333 ( -2.229 1.119 5.781) 6.296 10.462 ( 6.167 0.144 -2.644) 6.711 10.766 ( -10.624 -3.246 -3.906) 11.775 10.831 ( -6.316 0.586 -1.249) 6.465 11.227 ( -8.045 -1.577 5.024) 9.615 11.426 ( -5.823 -1.968 -2.506) 6.638 12.441 ( 10.199 3.410 8.024) 13.418 12.602 ( 6.128 3.877 -10.031) 12.378 13.153 ( 5.209 -5.290 1.092) 7.504 13.178 ( 4.712 -3.587 -0.503) 5.943 16.387 ( -8.678 -3.104 -1.172) 9.290 16.493 ( -9.410 -2.803 -2.060) 10.032 16.798 ( -17.330 16.721 -0.967) 24.101 16.873 ( -16.895 14.289 -0.562) 22.135 18.034 ( 12.167 -13.635 -0.095) 18.275 18.330 ( 9.041 -8.984 1.204) 12.802 18.448 ( 4.769 1.631 1.330) 5.213 18.616 ( 2.265 3.144 2.100) 4.407 21.143 ( 5.048 0.579 -1.213) 5.224 21.234 ( 4.715 1.557 -3.487) 6.067 21.776 ( 0.129 -2.451 7.881) 8.255 21.832 ( -1.453 -1.858 -4.314) 4.916 ======================= Grid point 114 (46/170) ======================= q-point: ( 0.36 0.11 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -5.222 2.981 3.623) 7.020 2.156 ( 3.515 3.954 -2.030) 5.666 2.310 ( 5.477 7.528 -5.179) 10.653 2.474 ( 2.052 0.197 1.112) 2.343 2.730 ( 3.856 -2.397 12.600) 13.393 2.828 ( 0.117 1.773 -0.116) 1.781 2.942 ( -6.787 -6.292 -4.797) 10.423 3.077 ( -3.112 -5.388 -3.521) 7.149 3.184 ( -11.201 -0.251 -1.030) 11.251 3.295 ( 0.245 1.016 -4.119) 4.249 3.441 ( -6.081 0.287 -0.729) 6.131 3.646 ( -1.349 -3.864 5.688) 7.007 4.105 ( 2.886 -0.281 -0.656) 2.973 4.204 ( 12.481 -9.754 -0.376) 15.845 4.245 ( 5.175 6.337 -5.111) 9.646 4.520 ( -2.617 3.091 -2.133) 4.577 4.722 ( 13.380 -3.153 -11.473) 17.906 4.776 ( 12.206 1.493 -6.000) 13.682 4.866 ( 5.769 1.240 6.721) 8.943 5.134 ( 4.257 6.372 2.614) 8.097 5.208 ( -0.539 -0.095 -8.386) 8.403 5.294 ( 1.302 6.436 10.637) 12.500 5.447 ( 3.179 1.181 6.895) 7.684 5.639 ( -4.197 -2.454 5.235) 7.145 5.945 ( -5.818 0.983 -10.722) 12.239 6.005 ( -3.482 0.772 -0.374) 3.586 6.185 ( -7.890 -1.215 -1.007) 8.046 6.366 ( -12.566 -3.817 5.694) 14.314 7.070 ( -3.420 -1.138 -1.871) 4.061 7.261 ( -3.904 11.270 2.279) 12.143 7.393 ( -2.386 9.717 4.121) 10.821 7.446 ( -1.164 0.198 -0.391) 1.244 8.424 ( 8.564 3.285 -6.153) 11.045 8.499 ( 5.889 3.025 0.982) 6.693 9.286 ( -1.485 -0.203 -1.695) 2.263 9.573 ( 5.827 -1.170 0.595) 5.973 9.836 ( 5.525 -1.254 -3.635) 6.731 9.993 ( 10.184 -1.176 7.202) 12.528 10.362 ( -2.390 1.147 5.706) 6.292 10.494 ( -6.695 -2.961 -7.473) 10.461 10.592 ( 2.968 -1.182 -0.591) 3.249 10.724 ( -4.997 3.197 -2.736) 6.533 11.160 ( -7.679 -1.075 5.374) 9.434 11.322 ( -3.804 -1.216 -1.926) 4.434 12.589 ( 5.130 3.687 -7.073) 9.484 12.660 ( 6.206 2.826 7.259) 9.960 13.217 ( 1.482 -3.135 -0.937) 3.592 13.242 ( 3.460 -4.823 1.949) 6.247 16.296 ( -3.866 3.177 2.047) 5.406 16.383 ( -3.851 2.682 2.032) 5.114 16.541 ( -13.589 16.293 -0.448) 21.221 16.651 ( -13.844 11.439 4.431) 18.497 18.208 ( 9.798 -10.346 -0.515) 14.258 18.446 ( 3.875 -4.790 0.478) 6.179 18.515 ( 4.436 -2.863 -1.539) 5.499 18.631 ( -0.203 0.465 -2.719) 2.766 21.199 ( 3.783 -1.009 -1.045) 4.052 21.278 ( 2.880 1.755 1.152) 3.564 21.763 ( 0.058 -3.323 -5.343) 6.292 21.835 ( -1.005 -3.994 3.330) 5.296 ======================= Grid point 115 (47/170) ======================= q-point: ( 0.45 0.11 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -7.869 2.798 1.652) 8.514 2.189 ( 3.531 -0.336 0.001) 3.547 2.378 ( 3.929 9.471 2.172) 10.481 2.561 ( 7.349 1.396 -1.370) 7.605 2.696 ( -7.624 -1.317 -6.221) 9.928 2.860 ( -0.535 -1.621 -0.925) 1.941 2.902 ( -3.071 -2.737 3.226) 5.227 2.980 ( -4.773 0.093 0.443) 4.795 3.121 ( 2.972 -6.331 3.662) 7.895 3.275 ( 4.782 3.501 0.871) 5.990 3.414 ( -1.866 -1.120 1.164) 2.468 3.646 ( -4.774 -4.577 1.798) 6.853 4.061 ( 0.287 3.882 -4.960) 6.306 4.261 ( 7.877 1.637 -11.037) 13.658 4.371 ( 2.227 -3.742 -3.158) 5.379 4.499 ( 4.998 -0.039 1.154) 5.130 4.700 ( -0.743 -5.577 -3.961) 6.881 4.907 ( -2.426 1.590 -1.204) 3.141 4.969 ( 15.399 -7.246 -6.515) 18.223 5.103 ( -0.394 -0.558 -1.545) 1.689 5.273 ( 5.858 5.950 -1.388) 8.464 5.361 ( 1.341 3.964 1.127) 4.334 5.467 ( -9.791 -3.760 -4.737) 11.509 5.643 ( -7.323 -3.273 3.716) 8.840 5.818 ( 1.368 2.321 -0.054) 2.694 5.926 ( 3.534 1.276 4.292) 5.704 6.151 ( -0.967 5.438 1.267) 5.667 6.213 ( -11.655 2.167 0.636) 11.872 7.054 ( 1.188 0.254 3.641) 3.838 7.242 ( -1.855 9.987 2.889) 10.561 7.394 ( -3.117 6.781 4.176) 8.552 7.464 ( 0.245 2.886 3.794) 4.773 8.461 ( 5.753 3.649 -7.274) 9.966 8.538 ( 0.295 2.728 -3.345) 4.326 9.279 ( 1.057 -1.253 0.758) 1.806 9.620 ( 0.401 -2.348 -1.349) 2.737 9.903 ( 7.206 -3.881 -3.104) 8.753 10.189 ( -2.684 -6.285 3.445) 7.654 10.282 ( 0.547 1.874 -3.207) 3.754 10.375 ( -4.484 2.288 4.562) 6.794 10.603 ( 0.008 2.743 -4.031) 4.876 10.687 ( 4.022 0.724 -3.329) 5.271 11.101 ( -7.020 -0.824 4.749) 8.515 11.276 ( -0.080 -0.590 -0.673) 0.898 12.627 ( 5.940 2.611 -1.645) 6.693 12.770 ( -1.607 2.171 4.891) 5.587 13.222 ( 1.186 -2.498 -0.925) 2.916 13.292 ( 0.088 -3.598 1.690) 3.976 16.286 ( 0.627 10.466 0.768) 10.513 16.373 ( -7.863 13.660 0.683) 15.776 16.437 ( 1.186 5.673 10.745) 12.209 16.545 ( -8.086 7.452 8.248) 13.746 18.312 ( 4.585 -5.538 -2.042) 7.474 18.468 ( -0.293 -5.067 -0.248) 5.082 18.541 ( 0.532 -1.714 -7.036) 7.262 18.565 ( 1.636 -2.942 -5.164) 6.165 21.256 ( 3.366 -1.597 1.471) 4.006 21.329 ( -0.350 -0.207 3.356) 3.380 21.729 ( 2.925 -3.814 -4.457) 6.554 21.815 ( -2.870 -4.460 -1.390) 5.483 ======================= Grid point 116 (48/170) ======================= q-point: (-0.45 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -3.211 2.810 -0.374) 4.284 2.280 ( 2.831 -0.560 4.913) 5.698 2.425 ( -7.586 -1.981 -10.328) 12.967 2.462 ( 0.877 7.913 4.046) 8.930 2.587 ( -7.635 1.509 -0.921) 7.837 2.877 ( 9.266 0.258 -0.902) 9.313 2.928 ( 5.053 2.596 1.695) 5.928 3.049 ( 2.054 -5.095 7.809) 9.548 3.173 ( 4.849 -2.689 -2.596) 6.122 3.340 ( -0.967 -2.421 -2.794) 3.822 3.475 ( 5.238 -0.188 6.444) 8.306 3.552 ( -4.273 -1.719 -1.929) 4.994 4.031 ( 2.383 -2.366 -6.774) 7.561 4.168 ( 3.988 -0.534 -18.125) 18.566 4.393 ( 0.112 4.873 1.798) 5.195 4.453 ( -9.595 -7.546 -2.606) 12.482 4.644 ( -15.464 3.604 -9.374) 18.439 4.781 ( 4.842 -0.683 2.845) 5.658 5.013 ( -19.320 -3.297 -3.665) 19.939 5.094 ( 5.743 -7.071 -1.115) 9.177 5.260 ( -2.400 5.924 0.170) 6.394 5.306 ( 10.604 2.021 1.779) 10.940 5.490 ( 2.006 -0.117 0.538) 2.081 5.646 ( -1.902 0.719 4.652) 5.077 5.758 ( 5.563 -2.469 -3.757) 7.153 6.022 ( -8.698 3.254 -4.250) 10.213 6.129 ( 0.302 6.147 -1.538) 6.344 6.217 ( 13.952 0.339 6.253) 15.293 7.148 ( 1.747 0.193 4.419) 4.756 7.277 ( 2.177 8.023 4.212) 9.320 7.394 ( -3.526 6.091 5.675) 9.041 7.538 ( 1.874 4.207 7.481) 8.785 8.429 ( -3.658 1.809 -8.428) 9.363 8.454 ( 1.932 3.320 -7.702) 8.607 9.328 ( 2.398 -0.830 2.951) 3.893 9.570 ( -2.734 -2.598 -3.610) 5.220 9.959 ( 0.325 -4.044 -1.873) 4.469 9.990 ( -10.462 -3.979 -2.326) 11.433 10.302 ( -6.551 3.151 3.384) 8.018 10.466 ( 10.477 -1.709 0.691) 10.638 10.603 ( 5.293 4.035 -3.669) 7.600 10.678 ( -0.847 1.929 -2.693) 3.419 11.061 ( -2.753 -0.507 3.222) 4.269 11.304 ( 3.651 -0.749 0.429) 3.752 12.686 ( -6.641 0.414 0.819) 6.704 12.756 ( 3.016 1.984 3.387) 4.950 13.244 ( 1.088 -2.239 0.824) 2.622 13.280 ( -3.009 -1.903 0.772) 3.643 16.310 ( -1.333 10.529 1.389) 10.704 16.345 ( 6.090 14.519 0.365) 15.748 16.552 ( -3.020 2.541 12.250) 12.870 16.665 ( 6.590 9.327 15.473) 19.230 18.293 ( -2.275 -5.024 -4.407) 7.060 18.399 ( -1.920 -1.573 -10.958) 11.236 18.451 ( -1.894 -5.705 -2.241) 6.415 18.556 ( 1.784 -1.348 -4.305) 4.851 21.317 ( -1.850 -3.045 2.838) 4.555 21.346 ( 1.493 -2.147 2.499) 3.618 21.717 ( -5.084 -3.167 -4.627) 7.568 21.759 ( 4.704 -3.104 -1.808) 5.919 ======================= Grid point 117 (49/170) ======================= q-point: (-0.36 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -10.758 4.900 -6.202) 13.349 2.064 ( -18.987 -1.830 -10.518) 21.783 2.388 ( -0.051 2.248 7.186) 7.529 2.526 ( 5.928 4.388 1.243) 7.479 2.604 ( 4.785 1.130 3.635) 6.115 2.998 ( 4.302 0.384 -3.655) 5.658 3.070 ( 7.641 2.367 7.866) 11.218 3.160 ( 1.094 -6.126 2.741) 6.800 3.225 ( 5.553 2.114 -2.283) 6.365 3.336 ( 5.740 -1.965 -2.163) 6.442 3.441 ( 0.819 -1.568 -5.272) 5.561 3.650 ( 5.321 -2.554 2.920) 6.585 3.914 ( -4.711 -3.736 -13.377) 14.666 4.047 ( 0.566 0.601 -14.101) 14.125 4.146 ( -21.117 -2.608 -0.633) 21.287 4.223 ( -16.382 -10.137 -7.793) 20.781 4.449 ( 0.946 10.364 0.835) 10.441 4.729 ( -6.980 3.017 -3.825) 8.512 4.907 ( 0.137 5.522 3.229) 6.398 5.108 ( -3.359 -0.761 1.582) 3.790 5.316 ( -11.009 1.710 4.328) 11.952 5.351 ( 7.665 3.552 5.128) 9.882 5.536 ( -0.458 -1.116 -1.544) 1.960 5.626 ( 0.138 2.445 4.640) 5.247 5.898 ( 3.656 -3.770 -2.576) 5.849 5.959 ( 13.310 -1.458 -1.848) 13.516 6.104 ( 0.575 4.857 -2.517) 5.500 6.481 ( 14.081 -2.819 0.318) 14.364 7.164 ( -1.883 2.267 0.749) 3.040 7.362 ( 2.954 1.777 0.202) 3.454 7.422 ( -2.649 7.775 8.848) 12.073 7.699 ( 4.564 4.206 11.759) 13.297 8.223 ( -7.144 0.382 -10.672) 12.849 8.397 ( 0.513 3.673 -7.449) 8.321 9.398 ( 0.711 -0.085 3.172) 3.252 9.473 ( -3.418 -2.203 -4.051) 5.741 9.751 ( -12.082 -1.261 -2.400) 12.383 9.970 ( -1.971 -2.675 1.416) 3.612 10.243 ( -4.847 1.796 2.263) 5.642 10.536 ( 0.525 0.592 -3.106) 3.206 10.640 ( 5.134 3.789 -5.515) 8.435 10.726 ( 8.513 0.125 1.889) 8.721 11.095 ( 2.738 -0.159 2.620) 3.793 11.390 ( 5.803 -1.353 1.044) 6.049 12.498 ( -13.680 0.877 -2.019) 13.856 12.883 ( 3.285 0.223 6.484) 7.272 13.203 ( -5.150 -1.202 -1.055) 5.393 13.272 ( -1.167 -3.116 2.249) 4.016 16.357 ( 5.133 6.412 1.737) 8.395 16.493 ( 11.241 15.664 1.761) 19.360 16.684 ( 2.375 1.953 12.547) 12.918 16.999 ( 11.355 9.674 18.675) 23.902 18.161 ( -5.827 -7.082 -6.702) 11.359 18.247 ( -3.009 -1.940 -9.451) 10.106 18.363 ( -3.118 -4.853 -6.651) 8.804 18.515 ( -2.315 -0.196 -2.917) 3.729 21.272 ( -4.603 -4.158 0.152) 6.205 21.415 ( 1.679 -2.600 3.148) 4.415 21.558 ( -7.078 -0.601 -6.161) 9.403 21.824 ( 4.196 -2.288 0.059) 4.780 ======================= Grid point 118 (50/170) ======================= q-point: (-0.27 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -19.599 8.917 -10.260) 23.852 1.611 ( -24.691 1.538 -8.069) 26.022 2.517 ( 4.491 1.981 8.648) 9.944 2.625 ( 1.162 8.652 3.178) 9.290 2.764 ( 12.167 -2.209 -0.900) 12.398 2.937 ( -25.857 10.854 -4.853) 28.459 2.968 ( -1.448 1.228 -2.914) 3.478 3.173 ( -3.233 -6.020 1.424) 6.980 3.324 ( 2.041 0.274 -4.296) 4.764 3.422 ( 11.856 -1.042 1.157) 11.958 3.519 ( 9.528 -1.534 -2.449) 9.956 3.656 ( 1.236 -3.965 -5.438) 6.842 3.737 ( 3.109 1.870 -8.985) 9.690 3.868 ( -15.137 -5.884 -1.757) 16.335 3.909 ( -0.860 -7.449 0.268) 7.503 4.091 ( 1.771 -3.494 -1.597) 4.231 4.414 ( -1.934 9.698 -2.079) 10.105 4.715 ( 4.519 0.282 0.414) 4.547 4.830 ( -7.841 4.895 -3.599) 9.919 5.035 ( -7.223 4.336 -2.314) 8.736 5.142 ( -14.866 7.416 4.382) 17.182 5.473 ( 0.362 3.089 0.440) 3.141 5.574 ( 7.333 -3.319 7.065) 10.710 5.754 ( 2.158 2.926 10.707) 11.307 5.949 ( 4.582 1.193 -0.244) 4.741 6.062 ( 1.308 3.612 -1.257) 4.041 6.173 ( 10.523 -5.811 -3.260) 12.455 6.649 ( 10.399 -8.126 -5.182) 14.179 7.148 ( 0.184 1.649 0.147) 1.666 7.384 ( 0.436 -0.039 0.312) 0.538 7.482 ( -0.030 7.776 5.064) 9.279 7.888 ( 2.431 4.312 9.704) 10.893 8.010 ( -5.946 0.260 -7.545) 9.610 8.303 ( -2.414 3.631 -6.951) 8.205 9.340 ( -10.723 -1.115 -0.346) 10.786 9.396 ( -1.584 -1.697 -2.315) 3.279 9.625 ( -1.329 2.219 0.584) 2.651 9.952 ( -2.466 1.521 2.176) 3.624 10.192 ( -5.203 1.034 2.697) 5.950 10.521 ( 1.732 2.108 -1.157) 2.963 10.672 ( 5.969 1.196 -5.236) 8.029 10.875 ( 9.495 -0.575 -1.011) 9.566 11.197 ( 5.782 -0.043 3.247) 6.631 11.495 ( 5.708 -1.721 1.040) 6.052 12.244 ( -14.559 0.993 -2.820) 14.863 12.948 ( -5.874 1.429 5.924) 8.464 13.117 ( -2.352 -3.794 -1.760) 4.799 13.264 ( -3.016 -5.782 2.649) 7.039 16.505 ( 11.002 2.594 1.844) 11.453 16.734 ( 15.596 15.527 3.519) 22.287 16.886 ( 5.528 1.342 12.019) 13.297 17.410 ( 14.313 9.087 18.217) 24.885 17.993 ( -6.450 -7.054 -5.312) 10.935 18.089 ( -4.629 -3.845 -8.255) 10.216 18.212 ( -3.809 -4.360 -10.556) 12.040 18.411 ( -7.143 -0.462 -2.530) 7.592 21.176 ( -6.308 -3.119 -2.754) 7.557 21.360 ( -9.888 3.789 -1.401) 10.682 21.479 ( 2.881 -4.070 -0.821) 5.054 21.882 ( 2.686 -1.489 0.512) 3.114 ======================= Grid point 119 (51/170) ======================= q-point: (-0.18 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -22.602 14.513 -3.827) 27.132 1.158 ( -25.763 11.561 0.579) 28.244 2.195 ( -43.368 29.957 -2.423) 52.764 2.695 ( 1.158 3.616 6.201) 7.271 2.723 ( -0.754 -3.117 2.002) 3.780 2.936 ( 4.670 -3.595 -1.406) 6.059 2.992 ( 9.022 -1.745 1.313) 9.282 3.133 ( 2.535 -0.907 -5.331) 5.973 3.299 ( 1.494 1.926 -2.152) 3.251 3.474 ( -1.743 -0.544 -5.378) 5.680 3.574 ( 2.648 1.814 -4.185) 5.274 3.656 ( -3.009 -0.967 -0.372) 3.183 3.701 ( 6.790 -2.908 0.717) 7.421 3.797 ( 1.828 -5.284 1.780) 5.868 3.973 ( 4.478 -8.044 0.452) 9.217 4.146 ( 5.212 -3.074 -0.132) 6.053 4.422 ( 2.789 7.833 1.855) 8.519 4.615 ( -8.212 1.924 -9.076) 12.390 4.808 ( -0.044 2.274 2.153) 3.131 4.871 ( -4.224 7.135 -3.521) 9.008 4.994 ( -6.641 7.498 1.471) 10.124 5.492 ( -0.701 5.580 1.133) 5.737 5.732 ( 1.167 -2.904 9.329) 9.840 5.860 ( -0.654 3.407 2.922) 4.536 5.987 ( -1.856 2.923 1.711) 3.862 6.125 ( 7.848 0.108 -0.434) 7.861 6.249 ( 2.857 -2.300 -0.859) 3.767 6.720 ( 7.702 -14.546 -4.323) 17.018 7.182 ( 3.425 0.682 0.184) 3.497 7.401 ( 1.171 -0.440 1.126) 1.683 7.531 ( 1.114 8.175 2.381) 8.588 7.829 ( -5.192 -1.807 -5.710) 7.926 8.013 ( -1.261 5.481 7.046) 9.015 8.168 ( -4.628 4.244 -7.349) 9.666 9.151 ( -10.207 1.875 0.232) 10.380 9.389 ( 2.726 -2.540 -1.224) 3.922 9.655 ( 2.478 3.309 1.660) 4.454 9.946 ( 0.185 7.698 -0.078) 7.701 10.140 ( -6.016 0.890 4.444) 7.532 10.559 ( 4.178 2.464 -1.255) 5.010 10.713 ( 5.246 -0.634 -2.830) 5.995 11.009 ( 9.548 -1.496 -1.325) 9.755 11.328 ( 5.834 0.869 2.804) 6.531 11.581 ( 3.892 -2.192 0.586) 4.505 12.001 ( -12.572 0.787 -1.746) 12.717 12.840 ( -9.666 2.788 0.260) 10.064 13.041 ( -10.094 -13.462 0.683) 16.840 13.260 ( -0.105 -5.757 1.396) 5.924 16.729 ( 14.722 -1.572 1.229) 14.856 17.032 ( 16.179 13.345 2.049) 21.072 17.088 ( 4.675 -1.420 7.453) 8.912 17.793 ( 8.375 5.917 9.193) 13.772 17.858 ( -6.453 -5.752 2.530) 9.007 17.950 ( 2.846 0.001 -8.523) 8.986 18.043 ( -3.689 -3.263 -5.732) 7.557 18.244 ( -9.729 -1.415 -2.854) 10.237 21.012 ( -9.660 2.901 -2.534) 10.400 21.218 ( -6.350 1.522 -1.498) 6.699 21.512 ( 1.929 -2.823 -0.178) 3.423 21.918 ( 1.359 -0.690 0.320) 1.558 ======================= Grid point 120 (52/170) ======================= q-point: (-0.09 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -10.660 26.667 13.656) 31.800 0.908 ( -16.335 22.374 19.659) 33.969 1.575 ( -38.071 39.558 16.153) 57.229 2.642 ( -3.354 2.517 -4.565) 6.199 2.746 ( -3.028 -1.940 -0.892) 3.705 2.964 ( 1.208 -3.266 -0.106) 3.484 3.047 ( 2.630 1.331 -3.115) 4.288 3.270 ( 11.979 -2.499 1.590) 12.340 3.326 ( 2.330 1.915 -1.511) 3.373 3.393 ( -1.375 -0.051 -2.630) 2.968 3.623 ( 6.778 4.553 2.108) 8.433 3.660 ( 1.720 -5.534 -0.084) 5.796 3.817 ( 1.346 -4.489 10.894) 11.859 3.863 ( 1.830 -1.162 6.851) 7.186 4.034 ( 3.582 -7.233 -0.527) 8.089 4.214 ( 5.114 -3.314 -2.936) 6.764 4.417 ( -4.095 1.316 -5.989) 7.373 4.476 ( 0.817 5.178 -0.826) 5.306 4.656 ( -7.473 12.992 -2.991) 15.283 4.862 ( -5.918 7.850 2.038) 10.040 5.061 ( 11.117 1.382 0.771) 11.229 5.474 ( -0.973 3.662 -0.575) 3.833 5.745 ( -6.839 5.013 -4.382) 9.545 5.825 ( -4.772 -3.608 3.843) 7.110 5.941 ( -2.941 -1.339 -0.755) 3.318 6.172 ( -1.097 -3.851 -0.340) 4.019 6.313 ( 5.650 0.093 -0.724) 5.697 6.849 ( 6.059 -9.788 5.202) 12.632 7.241 ( 3.076 -0.473 0.813) 3.217 7.449 ( 2.179 0.567 1.765) 2.861 7.565 ( 0.940 9.049 0.427) 9.108 7.700 ( -3.484 -6.290 -3.729) 8.100 8.004 ( -5.321 0.346 -0.341) 5.343 8.057 ( -0.601 10.147 -0.815) 10.197 9.065 ( -1.928 4.945 0.297) 5.316 9.430 ( 3.159 -3.569 -0.344) 4.779 9.714 ( 2.134 1.885 -1.496) 3.216 9.939 ( 2.974 12.487 -8.190) 15.226 10.166 ( 4.487 3.875 8.326) 10.221 10.607 ( 3.544 3.426 -1.797) 5.247 10.784 ( 4.841 -1.935 1.049) 5.318 11.141 ( 7.439 -2.692 0.545) 7.930 11.411 ( 1.952 2.064 -0.075) 2.841 11.638 ( 2.792 -2.392 1.988) 4.180 11.830 ( -8.537 -0.159 0.720) 8.569 12.695 ( -6.327 2.500 -3.213) 7.523 12.763 ( -26.320 -19.864 3.250) 33.134 13.258 ( 0.019 -3.298 -3.164) 4.571 16.958 ( 12.334 -5.802 -1.781) 13.747 17.101 ( 0.518 -5.545 -10.424) 11.819 17.185 ( 0.416 -1.986 0.151) 2.035 17.734 ( -4.422 -3.492 -4.183) 7.018 17.821 ( 0.554 1.721 -3.852) 4.256 18.066 ( -2.204 2.208 2.718) 4.138 18.115 ( 5.863 2.117 -0.296) 6.240 18.163 ( 8.487 9.315 12.869) 18.011 20.874 ( -6.369 7.149 2.560) 9.911 21.108 ( -4.790 -0.429 -2.648) 5.490 21.537 ( 1.077 -1.824 0.528) 2.183 21.937 ( 0.707 0.239 0.560) 0.933 ======================= Grid point 121 (53/170) ======================= q-point: ( 0.00 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -1.330 25.780 13.804) 29.273 1.459 ( -5.056 24.875 12.391) 28.246 2.377 ( 3.289 33.961 25.701) 42.716 2.530 ( 0.729 -1.641 -7.241) 7.460 2.733 ( -0.538 6.694 -4.666) 8.178 2.900 ( -1.251 -2.177 -1.877) 3.134 3.009 ( -1.764 -3.909 -2.164) 4.804 3.264 ( 4.532 -8.007 -4.289) 10.151 3.324 ( 2.251 -6.038 0.210) 6.448 3.365 ( 0.077 3.462 -3.979) 5.275 3.532 ( -2.144 -7.487 -1.550) 7.941 3.677 ( -0.106 -2.679 -7.239) 7.720 3.912 ( -1.150 -2.992 6.175) 6.957 3.973 ( -3.427 -0.034 16.408) 16.762 4.120 ( 10.679 -4.064 10.549) 15.551 4.127 ( 2.510 7.165 2.854) 8.111 4.558 ( 2.924 10.435 1.820) 10.989 4.597 ( -3.965 9.630 0.197) 10.417 4.890 ( 0.882 15.629 -3.277) 15.993 4.990 ( -2.716 11.457 1.903) 11.927 5.097 ( -3.375 1.821 -4.500) 5.913 5.462 ( -0.175 -0.369 -3.574) 3.597 5.677 ( -5.686 -5.036 5.978) 9.666 5.783 ( 3.657 -0.396 -1.837) 4.112 5.846 ( -0.114 1.709 -2.932) 3.396 6.057 ( 0.066 -6.324 -0.902) 6.389 6.304 ( -0.010 -4.088 -1.879) 4.499 6.828 ( -0.206 -5.130 -3.606) 6.274 7.260 ( 0.866 -1.233 0.225) 1.523 7.429 ( -7.043 -4.467 -1.715) 8.514 7.547 ( 5.939 -3.493 3.226) 7.607 7.809 ( 3.170 10.539 0.530) 11.018 7.962 ( -0.214 -0.181 1.835) 1.856 8.290 ( -0.107 14.783 -3.539) 15.201 9.128 ( -1.308 4.215 1.289) 4.597 9.396 ( 0.533 -3.643 2.272) 4.326 9.679 ( -1.832 1.589 -3.580) 4.325 10.033 ( 0.055 6.147 -1.665) 6.369 10.396 ( 3.501 4.437 0.472) 5.672 10.660 ( 1.605 -2.466 -0.252) 2.953 10.784 ( -4.148 3.939 -4.829) 7.486 11.157 ( 1.708 -5.931 5.054) 7.977 11.385 ( -0.900 -1.861 -8.468) 8.716 11.638 ( -4.405 -5.939 -2.419) 7.780 11.799 ( 3.261 5.125 11.618) 13.111 12.482 ( 0.478 -2.745 10.633) 10.992 12.674 ( 0.336 4.191 -5.151) 6.649 13.124 ( -0.697 -5.543 -4.569) 7.217 16.815 ( -0.055 -13.966 -0.467) 13.973 16.835 ( -1.088 -12.573 -1.951) 12.770 16.987 ( -2.264 -2.595 -10.570) 11.116 17.413 ( -2.201 -9.186 -14.446) 17.260 17.944 ( 2.549 3.557 6.613) 7.930 18.113 ( -0.066 1.577 6.163) 6.362 18.389 ( 2.028 8.683 1.649) 9.068 18.444 ( -1.807 8.006 0.129) 8.209 21.054 ( 1.906 6.562 0.394) 6.844 21.066 ( 0.402 5.203 -0.243) 5.225 21.535 ( 0.092 -1.166 4.161) 4.322 21.959 ( -0.099 -0.199 0.974) 0.999 ======================= Grid point 122 (54/170) ======================= q-point: ( 0.09 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 2.312 18.689 14.248) 23.614 1.690 ( 4.500 16.786 18.074) 25.074 2.413 ( -0.069 0.707 -10.799) 10.823 2.653 ( 2.366 7.035 -6.282) 9.724 2.856 ( 4.339 1.714 11.334) 12.256 2.864 ( 4.682 11.492 6.822) 14.161 2.975 ( -1.964 -0.013 2.808) 3.427 3.194 ( -2.386 -8.144 -9.398) 12.663 3.381 ( 2.814 -6.760 1.745) 7.527 3.401 ( 6.891 7.131 5.050) 11.128 3.432 ( -3.770 -9.663 -5.967) 11.966 3.626 ( -1.273 0.517 -1.001) 1.700 3.845 ( -4.944 0.465 -0.877) 5.042 4.055 ( -7.596 2.142 9.572) 12.405 4.215 ( -6.753 5.914 10.174) 13.568 4.383 ( 3.045 2.720 7.383) 8.437 4.565 ( 5.011 9.235 5.806) 12.004 4.631 ( 3.563 2.990 2.199) 5.145 4.831 ( -2.920 7.278 -4.085) 8.843 5.002 ( 3.423 12.275 -1.326) 12.812 5.047 ( 1.204 5.572 0.120) 5.702 5.433 ( 2.248 3.032 -3.358) 5.053 5.604 ( -7.696 -4.463 0.815) 8.934 5.760 ( -4.519 1.328 -4.165) 6.287 5.910 ( 7.578 -1.183 2.524) 8.074 6.082 ( 3.744 -5.890 -1.257) 7.092 6.255 ( -4.002 -5.647 -0.048) 6.922 6.716 ( -3.907 -5.665 -7.807) 10.407 7.235 ( -4.799 -2.946 -0.212) 5.635 7.360 ( 0.426 -3.523 -0.371) 3.568 7.628 ( 1.194 4.896 -0.027) 5.039 7.924 ( 8.023 4.476 3.594) 9.865 7.972 ( -1.955 2.496 -0.273) 3.182 8.261 ( 3.772 10.804 -4.460) 12.282 9.151 ( 1.928 3.893 3.575) 5.626 9.408 ( -0.555 -0.743 0.856) 1.262 9.658 ( 0.584 2.382 1.229) 2.743 9.994 ( 0.622 11.600 -6.349) 13.239 10.378 ( -8.361 3.105 6.877) 11.262 10.623 ( -3.462 4.911 -6.226) 8.653 10.739 ( 2.392 -5.752 1.944) 6.526 11.186 ( -9.022 -3.990 1.634) 9.999 11.237 ( -1.242 -3.519 -4.526) 5.866 11.553 ( -3.241 -6.565 -2.205) 7.646 12.026 ( 8.480 5.153 10.187) 14.222 12.656 ( 5.872 4.476 -5.761) 9.365 12.697 ( 10.577 -6.153 5.805) 13.544 13.060 ( 0.452 -4.621 -5.657) 7.318 16.679 ( -8.479 -5.717 -6.124) 11.920 16.795 ( -7.282 -8.727 -3.771) 11.975 16.970 ( 11.336 -11.795 -2.347) 16.527 17.322 ( 7.926 -10.678 -10.730) 17.087 17.946 ( -8.489 8.472 0.820) 12.021 18.181 ( -4.781 6.173 2.621) 8.236 18.280 ( -4.037 5.451 2.805) 7.340 18.503 ( 2.571 5.337 4.808) 7.630 21.090 ( 4.591 2.400 -2.538) 5.768 21.127 ( 5.808 5.092 -0.654) 7.752 21.587 ( -1.974 -0.126 8.139) 8.376 21.943 ( -2.565 -0.329 -0.077) 2.587 ======================= Grid point 123 (55/170) ======================= q-point: ( 0.18 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 11.212 8.706 16.661) 21.888 1.958 ( 4.919 8.745 15.943) 18.838 2.312 ( 1.572 4.237 -8.205) 9.367 2.577 ( 0.537 8.904 -10.981) 14.148 2.806 ( -5.822 -7.617 -0.586) 9.605 2.954 ( -0.903 -3.593 -0.197) 3.710 3.047 ( -3.037 -3.152 -4.253) 6.103 3.078 ( 2.444 -1.588 -0.360) 2.937 3.297 ( -5.363 -6.871 -5.657) 10.391 3.458 ( 5.738 -5.619 0.227) 8.035 3.564 ( -3.157 -0.602 -2.427) 4.027 3.673 ( 3.577 -2.512 6.249) 7.626 3.890 ( -7.658 6.503 1.052) 10.101 3.914 ( 0.402 13.550 14.441) 19.806 4.130 ( -5.378 4.350 4.564) 8.287 4.528 ( 8.147 11.629 3.252) 14.566 4.610 ( -5.699 4.461 3.648) 8.105 4.772 ( 0.081 5.550 3.259) 6.437 4.852 ( 7.504 -2.295 5.118) 9.369 5.057 ( 1.941 4.716 -2.069) 5.504 5.074 ( 5.605 11.913 -0.384) 13.172 5.449 ( 3.066 2.113 -8.172) 8.980 5.484 ( -6.961 -2.555 3.421) 8.166 5.652 ( -2.387 6.374 -0.953) 6.873 6.023 ( 1.908 -1.952 2.044) 3.410 6.105 ( -0.670 -3.376 0.495) 3.478 6.211 ( -4.127 -12.443 4.629) 13.903 6.550 ( -3.686 -6.377 -12.174) 14.229 7.155 ( -3.290 -2.528 -1.055) 4.281 7.387 ( 1.442 -1.641 1.194) 2.490 7.615 ( -1.596 12.151 -0.267) 12.258 7.852 ( -6.751 7.379 -5.155) 11.252 8.127 ( 9.618 2.010 5.423) 11.223 8.330 ( 9.366 4.868 -3.388) 11.086 9.273 ( 6.083 1.541 5.632) 8.432 9.419 ( 1.296 1.650 0.315) 2.121 9.686 ( -0.982 2.525 3.385) 4.336 9.929 ( 0.946 10.961 -6.538) 12.798 10.345 ( -6.646 1.158 8.829) 11.112 10.505 ( -1.405 3.238 -6.171) 7.109 10.796 ( 1.056 -3.185 1.354) 3.619 10.971 ( -9.985 -2.966 -6.466) 12.260 11.223 ( -4.710 -4.442 4.626) 7.957 11.467 ( -4.307 -5.933 -2.878) 7.876 12.277 ( 9.658 5.472 9.320) 14.494 12.687 ( 7.843 5.216 -8.610) 12.762 12.902 ( 8.229 -8.044 2.829) 11.850 13.037 ( 4.006 -4.272 -3.799) 6.981 16.493 ( -6.701 -1.920 -4.726) 8.422 16.612 ( -7.185 -2.471 -5.248) 9.235 17.130 ( 6.236 -5.588 0.726) 8.405 17.327 ( 0.783 -0.395 -6.037) 6.101 17.786 ( -7.932 6.184 -0.628) 10.077 18.053 ( -3.209 0.001 -0.138) 3.212 18.383 ( 4.416 0.834 4.024) 6.032 18.594 ( 1.528 2.196 5.010) 5.680 21.136 ( 4.043 3.308 -1.617) 5.468 21.201 ( 6.672 0.890 -4.127) 7.895 21.653 ( -2.624 -1.112 10.069) 10.465 21.879 ( -4.079 -1.583 -2.032) 4.825 ======================= Grid point 124 (56/170) ======================= q-point: ( 0.27 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 2.000 4.061 10.543) 11.474 2.228 ( 10.816 0.462 15.354) 18.787 2.299 ( 4.357 9.340 -3.552) 10.901 2.460 ( 1.966 7.370 -10.658) 13.107 2.677 ( -8.556 -2.701 1.017) 9.030 2.928 ( -3.564 -6.829 -1.758) 7.901 2.932 ( -3.268 -6.393 -3.605) 8.034 3.058 ( -5.763 -4.654 -8.951) 11.619 3.180 ( 2.451 -0.875 -0.424) 2.637 3.443 ( -7.278 0.042 -3.542) 8.094 3.540 ( 0.426 -2.525 3.817) 4.596 3.636 ( -4.790 -4.630 -2.706) 7.190 3.824 ( 0.437 -0.875 2.098) 2.315 3.955 ( 0.204 -1.811 1.476) 2.346 4.435 ( 6.182 9.476 6.562) 13.079 4.543 ( 7.093 10.828 6.816) 14.630 4.706 ( 7.622 10.311 1.443) 12.903 4.786 ( -0.992 5.030 -2.351) 5.640 4.871 ( -3.106 -0.482 -3.878) 4.992 5.090 ( -0.097 -0.654 4.930) 4.974 5.208 ( 4.716 4.917 6.270) 9.259 5.326 ( 2.125 0.339 -9.264) 9.511 5.483 ( -1.478 6.098 2.699) 6.830 5.663 ( -0.606 4.106 -0.185) 4.154 6.008 ( -1.930 -0.231 0.055) 1.945 6.107 ( -5.689 -7.108 8.578) 12.508 6.204 ( -3.103 -5.427 -0.640) 6.284 6.343 ( -3.929 -7.972 -9.873) 13.284 7.109 ( -1.147 -0.593 -1.801) 2.216 7.419 ( 0.313 -0.313 1.825) 1.878 7.590 ( -1.956 15.650 0.670) 15.786 7.695 ( -6.266 11.557 -3.001) 13.485 8.332 ( 10.574 0.500 2.146) 10.801 8.449 ( 9.216 3.472 -2.119) 10.074 9.367 ( -1.017 1.921 -0.843) 2.331 9.468 ( 4.391 0.265 1.503) 4.649 9.730 ( 1.564 -0.141 6.139) 6.337 9.898 ( 2.696 6.294 -3.890) 7.875 10.352 ( -4.336 0.338 7.675) 8.821 10.476 ( 5.204 1.721 -4.751) 7.254 10.700 ( -9.813 -3.364 -5.391) 11.691 10.844 ( -1.132 0.959 -1.060) 1.824 11.182 ( -6.748 -3.272 4.659) 8.829 11.365 ( -4.357 -4.504 -2.652) 6.805 12.524 ( 8.998 4.939 8.440) 13.288 12.696 ( 5.296 5.502 -8.564) 11.475 13.026 ( 6.256 -7.517 0.771) 9.810 13.094 ( 5.022 -4.812 -1.073) 7.038 16.385 ( -2.605 2.509 -1.048) 3.766 16.485 ( -3.846 1.911 -1.834) 4.670 17.100 ( -11.245 13.277 2.355) 17.558 17.180 ( -10.779 16.019 -3.847) 19.688 17.793 ( 9.060 -9.619 -0.195) 13.215 18.117 ( 8.682 -10.917 0.804) 13.972 18.463 ( 2.130 -0.701 1.125) 2.509 18.643 ( -0.323 -0.451 1.549) 1.645 21.175 ( 2.891 2.479 -1.537) 4.107 21.252 ( 4.766 0.344 -2.388) 5.342 21.711 ( -2.675 -4.137 7.355) 8.853 21.778 ( -4.254 -3.735 -3.770) 6.801 ======================= Grid point 125 (57/170) ======================= q-point: ( 0.36 0.22 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -6.118 2.187 5.657) 8.615 2.261 ( -0.943 6.245 -7.380) 9.713 2.457 ( 10.559 6.148 -2.215) 12.418 2.508 ( 1.077 4.407 2.514) 5.187 2.673 ( 2.562 -3.872 13.963) 14.714 2.804 ( -3.724 -7.053 -7.884) 11.215 2.852 ( -1.043 0.758 -2.054) 2.425 2.937 ( -2.536 -7.790 0.268) 8.196 3.198 ( -8.106 0.536 0.455) 8.137 3.300 ( -0.446 0.822 -4.360) 4.460 3.487 ( -6.670 2.921 -2.706) 7.768 3.568 ( -2.696 -3.524 5.189) 6.827 3.948 ( 11.406 -14.149 -1.051) 18.204 4.047 ( 8.508 -6.500 0.766) 10.734 4.375 ( -2.438 6.344 -4.824) 8.334 4.618 ( -2.766 5.524 -8.969) 10.891 4.755 ( 4.470 -1.574 -11.362) 12.311 4.805 ( -2.924 6.546 -1.263) 7.280 4.922 ( 8.245 5.267 11.231) 14.894 5.064 ( -2.790 -4.817 0.635) 5.603 5.301 ( 5.975 5.328 0.296) 8.011 5.407 ( -2.004 2.921 5.289) 6.366 5.541 ( 3.346 0.304 9.346) 9.932 5.579 ( -2.974 3.808 -2.708) 5.539 5.910 ( -5.148 -3.367 -13.192) 14.556 6.046 ( -4.721 2.483 -2.645) 5.954 6.158 ( -1.983 -2.050 8.782) 9.234 6.305 ( -1.002 -1.757 2.371) 3.117 7.073 ( -1.105 1.845 -0.771) 2.284 7.439 ( -0.616 0.974 2.563) 2.810 7.534 ( -2.271 14.209 -3.947) 14.921 7.636 ( -3.647 15.363 5.488) 16.717 8.479 ( 9.217 1.292 -4.315) 10.259 8.561 ( 5.963 2.892 -0.434) 6.641 9.294 ( -3.079 1.191 -2.524) 4.155 9.540 ( 2.838 -2.298 0.468) 3.681 9.807 ( 2.019 -1.478 -0.661) 2.587 9.966 ( 5.375 -1.254 5.195) 7.580 10.379 ( -2.412 0.051 6.793) 7.209 10.437 ( -5.102 -2.565 -8.800) 10.490 10.591 ( 4.583 1.712 -0.839) 4.964 10.795 ( -2.509 4.125 -3.028) 5.699 11.127 ( -6.734 -2.513 4.998) 8.754 11.284 ( -2.494 -2.837 -1.806) 4.187 12.679 ( 4.275 5.367 -6.484) 9.440 12.729 ( 5.106 4.136 7.015) 9.611 13.128 ( 4.230 -6.167 1.626) 7.653 13.142 ( 2.926 -4.864 -0.547) 5.702 16.389 ( 0.805 6.014 3.599) 7.055 16.454 ( -0.836 4.842 2.894) 5.703 16.914 ( -13.952 21.176 2.722) 25.504 16.972 ( -11.018 21.761 -0.739) 24.402 17.983 ( 13.327 -12.374 -0.184) 18.187 18.269 ( 7.510 -11.765 1.076) 13.999 18.480 ( 0.887 -2.405 -1.742) 3.100 18.612 ( -2.230 -2.421 -3.319) 4.674 21.196 ( 2.519 0.515 -1.975) 3.242 21.300 ( 1.745 0.471 1.097) 2.114 21.673 ( -1.936 -5.966 -4.832) 7.917 21.730 ( -3.069 -6.791 3.538) 8.249 ======================= Grid point 126 (58/170) ======================= q-point: ( 0.45 0.22 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -5.984 3.525 -1.216) 7.051 2.207 ( 2.323 2.541 -1.727) 3.852 2.545 ( -0.290 5.244 5.786) 7.814 2.593 ( 0.873 2.834 -5.815) 6.528 2.666 ( 5.645 -0.210 -4.728) 7.366 2.841 ( -3.445 -1.801 5.322) 6.591 2.853 ( 0.203 -1.113 1.460) 1.847 2.962 ( 0.431 -7.744 6.736) 10.272 3.014 ( -6.360 2.323 0.496) 6.790 3.296 ( 3.447 -1.123 -4.196) 5.545 3.423 ( -0.448 0.834 0.303) 0.994 3.563 ( -4.095 -3.068 3.325) 6.102 4.077 ( 8.297 -8.652 -4.839) 12.927 4.163 ( 2.648 -3.730 -8.013) 9.227 4.280 ( 2.037 -10.078 -3.605) 10.896 4.546 ( -1.227 3.740 -7.378) 8.362 4.638 ( 0.765 -8.053 0.154) 8.090 4.776 ( 6.477 3.086 -8.150) 10.858 5.028 ( -6.054 4.051 -0.427) 7.297 5.080 ( -3.153 -1.468 6.549) 7.415 5.312 ( -0.021 2.128 -5.305) 5.716 5.406 ( 1.900 -1.252 -0.423) 2.314 5.483 ( -5.475 1.431 2.745) 6.289 5.637 ( 0.819 6.909 -6.308) 9.391 5.875 ( 4.774 1.548 6.747) 8.408 5.976 ( 0.380 3.470 0.494) 3.526 6.190 ( -3.401 0.851 2.523) 4.319 6.289 ( -3.042 3.659 0.335) 4.770 7.087 ( 1.353 3.409 3.849) 5.316 7.457 ( -0.916 1.478 2.531) 3.071 7.477 ( -0.334 13.977 -1.832) 14.100 7.656 ( -2.776 14.906 6.998) 16.699 8.534 ( 6.097 2.397 -7.025) 9.606 8.585 ( 0.035 2.146 -4.919) 5.367 9.260 ( 0.537 -0.404 0.448) 0.808 9.557 ( -0.195 -4.122 -1.471) 4.381 9.822 ( 3.278 -4.010 -2.446) 5.728 10.060 ( -4.651 -6.763 2.891) 8.702 10.315 ( 3.210 1.501 -2.516) 4.346 10.408 ( -3.313 0.978 4.854) 5.958 10.664 ( 5.845 3.247 -3.330) 7.470 10.729 ( -0.921 4.148 -2.374) 4.868 11.076 ( -6.170 -1.748 4.225) 7.679 11.254 ( 0.358 -1.888 -0.623) 2.020 12.693 ( 4.518 4.056 -3.153) 6.841 12.818 ( -2.065 2.552 3.465) 4.773 13.163 ( 1.759 -3.276 0.637) 3.773 13.212 ( 1.320 -4.300 3.306) 5.582 16.468 ( 2.855 7.456 4.700) 9.265 16.504 ( -2.271 5.526 8.504) 10.393 16.768 ( -8.709 22.923 4.329) 24.901 16.857 ( -3.146 24.530 2.374) 24.844 18.160 ( 8.479 -9.796 -1.125) 13.005 18.324 ( -2.258 -9.738 0.637) 10.017 18.482 ( 3.565 -4.463 -4.826) 7.478 18.515 ( -1.607 -2.606 -6.408) 7.102 21.217 ( 2.962 -2.428 -1.769) 4.219 21.309 ( -1.782 -2.185 0.043) 2.820 21.632 ( 2.225 -5.917 -2.211) 6.697 21.702 ( -3.169 -6.910 0.619) 7.627 ======================= Grid point 127 (59/170) ======================= q-point: (-0.45 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -2.076 3.016 -0.543) 3.702 2.291 ( 7.376 2.208 1.056) 7.772 2.371 ( -10.456 -3.116 -11.075) 15.546 2.607 ( -3.118 6.699 4.317) 8.558 2.637 ( -5.876 3.256 0.532) 6.739 2.893 ( 6.394 0.556 1.586) 6.611 2.938 ( 3.897 -4.124 6.446) 8.588 2.992 ( 4.917 3.617 1.467) 6.278 3.085 ( 3.792 -6.441 3.926) 8.443 3.295 ( 1.563 -2.498 -4.230) 5.155 3.447 ( 1.837 -3.377 -1.738) 4.219 3.539 ( -1.643 1.721 4.044) 4.692 3.990 ( -4.070 -3.747 -10.090) 11.507 4.101 ( 4.026 -7.416 -11.830) 14.531 4.219 ( -6.145 -11.594 -6.579) 14.678 4.514 ( 8.066 0.908 -5.160) 9.619 4.678 ( -17.463 -0.339 -9.611) 19.936 4.827 ( 5.627 -2.856 4.921) 8.003 4.844 ( 6.989 -4.068 1.293) 8.190 5.031 ( -7.198 4.600 0.273) 8.547 5.321 ( -1.014 3.873 0.504) 4.036 5.432 ( 0.954 -0.925 0.367) 1.378 5.491 ( 4.758 5.644 5.095) 8.969 5.650 ( 6.440 2.795 -4.274) 8.219 5.824 ( -7.352 7.168 -0.966) 10.313 6.060 ( -5.685 -0.296 -0.215) 5.697 6.198 ( 7.155 1.268 -0.381) 7.277 6.257 ( 0.394 3.709 3.581) 5.170 7.175 ( 1.198 2.808 5.640) 6.413 7.451 ( 0.246 6.288 -1.637) 6.502 7.505 ( 0.164 8.601 6.294) 10.659 7.707 ( -0.272 13.033 7.301) 14.941 8.449 ( -5.244 -0.463 -10.270) 11.540 8.532 ( 3.212 4.284 -7.426) 9.155 9.314 ( 3.567 -0.484 2.669) 4.482 9.505 ( -2.295 -3.857 -3.766) 5.859 9.857 ( 0.569 -6.219 -0.565) 6.270 9.914 ( -7.919 -3.600 -2.456) 9.039 10.369 ( -5.788 3.516 2.155) 7.107 10.450 ( 9.385 0.164 2.248) 9.652 10.691 ( 2.049 4.972 -2.699) 6.017 10.716 ( 1.124 1.910 -1.505) 2.679 11.045 ( -2.025 -1.093 3.152) 3.902 11.278 ( 2.954 -2.068 0.157) 3.609 12.708 ( -5.513 1.669 -1.139) 5.871 12.786 ( 1.697 0.951 0.714) 2.072 13.203 ( 0.068 -1.628 2.830) 3.266 13.239 ( -2.824 -2.109 3.482) 4.955 16.502 ( -4.924 8.795 5.813) 11.635 16.603 ( 2.216 5.506 8.909) 10.705 16.745 ( 0.112 23.290 4.217) 23.669 16.968 ( 8.016 21.962 9.441) 25.213 18.149 ( -7.032 -9.542 -2.328) 12.080 18.282 ( -2.706 -9.239 -2.060) 9.846 18.394 ( 0.093 -1.616 -7.977) 8.140 18.512 ( 3.861 -3.259 -5.272) 7.302 21.240 ( -0.146 -5.161 -1.709) 5.439 21.268 ( 2.140 -6.073 -3.265) 7.219 21.644 ( -4.149 -4.081 -0.490) 5.840 21.684 ( 3.994 -4.400 1.027) 6.030 ======================= Grid point 128 (60/170) ======================= q-point: (-0.36 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -7.252 6.729 -3.970) 10.660 2.043 ( -15.003 0.232 -9.360) 17.685 2.418 ( 5.074 0.875 2.690) 5.809 2.571 ( 2.551 1.201 1.105) 3.028 2.656 ( -0.014 3.135 3.475) 4.680 2.962 ( 0.283 -4.128 2.758) 4.973 3.097 ( 9.665 0.625 5.686) 11.231 3.107 ( 1.281 -0.330 -1.307) 1.859 3.224 ( 8.065 -2.601 5.537) 10.123 3.305 ( 8.612 -3.756 -3.824) 10.144 3.411 ( -0.672 1.039 -3.703) 3.904 3.606 ( 3.355 -0.259 2.240) 4.042 3.844 ( -2.327 -5.343 -7.599) 9.577 3.950 ( -5.267 -8.619 -9.713) 14.013 4.089 ( 1.233 -2.620 -10.310) 10.709 4.159 ( -23.947 2.916 -12.904) 27.358 4.615 ( 6.076 5.301 -3.635) 8.845 4.839 ( -7.342 6.736 -2.859) 10.366 4.980 ( -1.922 -3.779 2.737) 5.047 5.059 ( 8.287 2.412 9.807) 13.064 5.302 ( -0.733 0.249 3.537) 3.621 5.419 ( -3.943 2.563 1.522) 4.943 5.586 ( -2.132 3.439 -5.761) 7.040 5.736 ( -1.925 7.727 4.771) 9.283 5.758 ( 12.737 -5.892 1.665) 14.132 5.990 ( 0.277 2.597 -1.473) 2.998 6.182 ( -2.367 2.417 -0.884) 3.496 6.413 ( 9.179 -3.705 -0.346) 9.905 7.208 ( -2.562 2.569 2.639) 4.486 7.429 ( -1.180 4.252 -0.986) 4.521 7.600 ( 0.830 10.056 7.524) 12.587 7.825 ( 3.858 9.242 9.226) 13.617 8.226 ( -6.810 -0.229 -11.151) 13.068 8.482 ( 0.718 4.528 -7.238) 8.568 9.384 ( 0.029 -1.803 0.136) 1.808 9.425 ( -1.627 -2.270 -2.984) 4.088 9.706 ( -8.636 -2.849 -1.162) 9.168 9.929 ( 3.178 -1.772 0.307) 3.651 10.297 ( -5.632 4.010 1.628) 7.103 10.556 ( 2.116 1.731 -1.831) 3.290 10.719 ( 1.751 3.052 -0.971) 3.650 10.730 ( 6.459 1.112 -0.178) 6.556 11.088 ( 2.768 -0.571 2.894) 4.045 11.346 ( 4.917 -3.274 0.742) 5.954 12.525 ( -12.251 1.994 -3.225) 12.825 12.868 ( 3.451 -2.145 3.250) 5.203 13.188 ( -6.666 -0.021 2.422) 7.092 13.217 ( -3.613 -2.130 2.718) 4.998 16.508 ( -0.868 8.682 4.546) 9.838 16.731 ( -1.586 4.425 14.653) 15.389 16.874 ( 11.660 21.325 0.763) 24.317 17.265 ( 12.306 17.690 14.020) 25.708 17.974 ( -11.728 -11.571 -0.809) 16.495 18.159 ( -5.780 -6.957 -5.644) 10.661 18.314 ( -0.004 -1.104 -9.276) 9.342 18.482 ( -0.095 -2.799 -6.216) 6.818 21.185 ( -0.678 -5.075 -4.012) 6.504 21.311 ( 5.401 -7.723 -2.485) 9.746 21.551 ( -6.868 -0.253 -0.711) 6.909 21.766 ( 3.988 -3.608 1.733) 5.650 ======================= Grid point 129 (61/170) ======================= q-point: (-0.27 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -15.932 8.065 -7.497) 19.367 1.755 ( -14.367 13.940 -5.042) 20.644 2.534 ( 4.150 -0.400 6.194) 7.467 2.691 ( 8.011 -5.065 -0.326) 9.484 2.711 ( 3.755 1.297 2.543) 4.717 2.975 ( -1.659 -0.705 0.394) 1.845 3.069 ( 1.347 -3.007 -2.638) 4.221 3.243 ( -10.116 12.139 4.045) 16.311 3.326 ( 2.280 -5.153 -2.482) 6.158 3.382 ( 5.561 -2.954 -1.106) 6.393 3.473 ( 8.737 0.783 -1.918) 8.979 3.582 ( -6.668 2.340 -4.787) 8.535 3.738 ( -3.851 -3.008 -1.679) 5.167 3.782 ( 3.999 -0.447 -4.712) 6.196 3.830 ( -2.451 -0.578 -6.446) 6.920 4.047 ( 4.908 -2.281 -5.726) 7.879 4.597 ( 0.320 7.970 -6.657) 10.390 4.767 ( 0.486 4.634 0.257) 4.666 4.879 ( -9.459 1.988 -2.036) 9.878 5.148 ( -5.375 7.158 0.061) 8.952 5.311 ( -10.507 9.117 6.258) 15.253 5.453 ( 7.828 -6.733 4.983) 11.465 5.546 ( 2.739 1.818 0.900) 3.408 5.800 ( 0.333 -1.120 9.900) 9.968 5.995 ( 11.519 -4.064 2.497) 12.468 6.006 ( 2.418 0.331 -1.814) 3.041 6.142 ( -0.465 2.276 -1.139) 2.588 6.482 ( 5.709 -7.754 -8.381) 12.765 7.188 ( -1.636 2.590 1.522) 3.420 7.398 ( -1.578 1.378 -0.417) 2.136 7.674 ( 0.040 11.133 5.025) 12.215 7.980 ( -1.472 3.754 2.310) 4.647 8.034 ( -1.682 3.443 -0.837) 3.923 8.398 ( -1.266 5.678 -6.900) 9.025 9.306 ( -6.329 -2.356 -2.753) 7.293 9.356 ( -3.493 -2.307 -1.404) 4.415 9.657 ( 0.771 1.634 1.417) 2.296 9.985 ( 3.655 0.754 0.482) 3.763 10.231 ( -5.664 3.394 2.446) 7.041 10.555 ( 2.677 1.882 -2.606) 4.183 10.730 ( 2.433 4.662 -1.750) 5.542 10.852 ( 7.983 -1.746 -1.126) 8.249 11.193 ( 5.862 -0.485 3.901) 7.058 11.437 ( 5.080 -4.551 0.740) 6.860 12.281 ( -13.745 3.058 -3.239) 14.449 12.925 ( -2.575 -5.260 3.532) 6.839 13.071 ( -10.021 0.825 0.649) 10.076 13.173 ( -3.986 -3.285 1.539) 5.390 16.579 ( 4.166 4.816 3.202) 7.128 16.895 ( 0.557 3.349 16.130) 16.483 17.070 ( 10.477 13.197 0.522) 16.859 17.630 ( 11.261 12.305 16.526) 23.480 17.799 ( -8.334 -9.658 0.484) 12.766 18.018 ( -2.862 -3.543 -5.859) 7.421 18.178 ( -2.233 -0.549 -11.842) 12.063 18.367 ( -3.975 -2.916 -8.275) 9.632 21.140 ( 0.369 -1.359 -3.917) 4.162 21.367 ( 4.567 -6.648 -3.528) 8.803 21.418 ( -8.793 2.207 0.993) 9.120 21.839 ( 3.317 -3.081 0.984) 4.633 ======================= Grid point 130 (62/170) ======================= q-point: (-0.18 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -9.914 20.958 1.164) 23.214 1.491 ( -14.228 21.486 0.544) 25.776 2.638 ( 0.850 -3.601 1.355) 3.941 2.707 ( -12.379 4.937 -1.658) 13.430 2.805 ( -1.935 4.559 3.963) 6.343 2.890 ( -9.201 14.906 -2.297) 17.667 2.959 ( 0.695 -1.869 1.480) 2.483 3.115 ( 7.838 -1.668 -6.397) 10.254 3.340 ( 2.294 -0.476 -0.281) 2.359 3.432 ( 0.492 -2.099 -5.218) 5.646 3.477 ( 1.396 -6.883 1.550) 7.192 3.617 ( 2.989 -3.659 2.249) 5.233 3.723 ( 1.819 4.262 0.827) 4.707 3.792 ( 0.826 2.278 3.345) 4.130 3.867 ( 9.079 0.032 -5.545) 10.639 4.084 ( 5.576 -4.998 -5.392) 9.227 4.584 ( 2.749 5.153 -4.378) 7.299 4.634 ( -7.909 6.974 -2.444) 10.825 4.883 ( 5.412 5.116 3.921) 8.416 5.038 ( -4.514 9.731 -2.096) 10.930 5.194 ( -9.903 13.073 3.291) 16.727 5.553 ( 0.139 -0.701 -0.996) 1.226 5.646 ( 2.439 -5.411 8.424) 10.305 5.890 ( -3.958 -5.240 6.857) 9.495 5.973 ( -3.771 -3.939 -3.207) 6.326 6.131 ( 1.729 0.369 0.219) 1.781 6.195 ( 5.652 -0.899 2.475) 6.235 6.495 ( 13.255 -7.479 -7.873) 17.135 7.201 ( 1.379 1.594 0.556) 2.180 7.385 ( -0.204 -1.326 1.566) 2.062 7.710 ( -2.596 7.353 3.334) 8.481 7.832 ( -4.323 4.313 -6.839) 9.169 8.086 ( -5.348 1.773 4.843) 7.429 8.321 ( 0.988 11.049 -4.508) 11.974 9.181 ( -5.852 1.273 0.248) 5.994 9.330 ( 1.122 -3.243 -0.886) 3.544 9.700 ( 1.707 2.023 2.261) 3.482 10.048 ( 3.625 0.233 -1.624) 3.979 10.190 ( -2.225 5.366 3.814) 6.950 10.582 ( 5.087 0.843 -4.181) 6.638 10.769 ( 3.060 6.463 1.200) 7.251 10.955 ( 7.753 -4.111 -1.880) 8.975 11.342 ( 7.888 0.121 2.300) 8.217 11.508 ( 3.133 -5.552 0.361) 6.385 12.040 ( -13.525 3.783 -0.939) 14.076 12.810 ( -15.213 -9.129 0.750) 17.757 12.908 ( -9.861 3.448 -0.459) 10.456 13.160 ( 0.188 -5.092 0.831) 5.163 16.693 ( 6.821 -1.980 1.084) 7.185 17.046 ( -3.503 -2.569 8.274) 9.346 17.146 ( -0.503 -1.950 1.174) 2.331 17.729 ( -3.487 -6.404 3.896) 8.267 17.910 ( 0.128 4.577 2.517) 5.225 18.003 ( 5.795 2.900 -3.087) 7.178 18.047 ( 4.661 3.874 -0.862) 6.122 18.229 ( 2.545 3.122 -7.610) 8.610 21.102 ( -1.142 4.775 -2.375) 5.454 21.248 ( -9.031 3.154 -1.170) 9.637 21.436 ( 3.590 -5.027 -0.124) 6.179 21.892 ( 2.682 -2.241 0.277) 3.506 ======================= Grid point 131 (63/170) ======================= q-point: (-0.09 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -6.864 25.759 9.120) 28.175 1.405 ( -2.590 29.445 11.715) 31.795 2.335 ( -23.106 34.073 8.288) 41.995 2.600 ( -1.424 -4.320 -4.151) 6.158 2.790 ( -1.078 4.389 -2.077) 4.974 2.914 ( 1.211 0.117 0.159) 1.227 3.031 ( 3.281 -3.266 -0.014) 4.629 3.174 ( 6.560 -8.087 -1.395) 10.506 3.342 ( 1.818 -2.772 -7.132) 7.865 3.398 ( 1.157 2.288 -1.797) 3.130 3.524 ( 2.037 -5.854 1.926) 6.490 3.695 ( 2.824 -0.019 2.001) 3.461 3.781 ( 1.766 0.963 7.246) 7.520 3.882 ( 2.486 -6.093 5.723) 8.721 3.937 ( 2.486 5.729 1.126) 6.346 4.094 ( 5.064 -5.811 -4.890) 9.128 4.506 ( 0.224 8.593 -0.940) 8.647 4.634 ( -0.730 10.930 1.043) 11.004 4.918 ( -1.770 12.589 -1.547) 12.807 5.055 ( -4.834 11.372 3.165) 12.756 5.108 ( 3.528 5.786 -0.322) 6.784 5.507 ( -2.001 0.211 -2.573) 3.267 5.717 ( -5.972 -7.305 6.929) 11.706 5.817 ( -4.810 -5.737 -3.306) 8.184 5.878 ( -0.818 1.232 -2.882) 3.239 6.096 ( -2.836 -3.806 -1.188) 4.893 6.286 ( 3.800 -2.797 -0.211) 4.723 6.725 ( 14.064 -5.230 1.656) 15.096 7.233 ( 2.482 0.132 -0.453) 2.527 7.433 ( 2.299 -2.712 3.896) 5.274 7.593 ( -9.612 -4.050 -2.664) 10.766 7.784 ( 1.517 12.472 -1.413) 12.643 7.997 ( -6.452 -0.210 0.849) 6.511 8.314 ( 1.207 14.789 -2.202) 15.001 9.137 ( -1.816 3.338 1.465) 4.072 9.355 ( 1.758 -3.802 0.909) 4.287 9.736 ( 0.143 0.965 -1.009) 1.404 10.043 ( -1.384 -0.166 0.550) 1.499 10.277 ( 8.856 6.776 -0.023) 11.151 10.625 ( 4.808 -0.832 -2.379) 5.428 10.832 ( 2.928 7.108 -0.833) 7.733 11.059 ( 5.417 -5.878 1.776) 8.188 11.434 ( 4.178 -1.622 -5.391) 7.011 11.579 ( 5.260 -3.402 3.429) 7.141 11.846 ( -13.063 3.160 3.228) 13.822 12.543 ( -17.773 -5.545 4.027) 19.048 12.764 ( -5.926 3.834 -2.762) 7.579 13.164 ( 0.127 -6.115 -1.535) 6.306 16.798 ( 5.611 -9.842 -0.402) 11.336 16.915 ( -10.486 -12.890 -1.545) 16.688 17.137 ( -0.750 -0.466 -7.189) 7.243 17.631 ( -7.267 -8.101 -7.231) 13.066 17.857 ( -0.136 1.948 0.805) 2.112 18.047 ( -1.637 -1.990 6.898) 7.364 18.235 ( 14.523 8.998 -0.020) 17.084 18.370 ( 9.232 10.346 3.730) 14.359 21.056 ( -2.713 9.810 0.549) 10.193 21.117 ( -5.433 2.702 -1.230) 6.191 21.488 ( 2.279 -3.117 1.209) 4.046 21.933 ( 1.927 -0.983 0.636) 2.255 ======================= Grid point 132 (64/170) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -0.930 20.384 6.763) 21.496 1.930 ( -6.042 22.042 3.165) 23.073 2.510 ( 0.309 1.822 -6.117) 6.390 2.650 ( 2.046 -0.167 4.699) 5.127 2.827 ( -0.262 -2.526 -3.585) 4.393 2.890 ( -3.302 -5.567 -4.083) 7.653 3.013 ( 1.298 4.576 9.056) 10.229 3.099 ( 5.136 -6.382 -1.449) 8.319 3.186 ( 1.415 -6.078 -3.555) 7.182 3.363 ( -2.343 -10.357 -7.118) 12.784 3.449 ( 1.443 3.897 -3.178) 5.232 3.733 ( 8.220 -1.074 4.133) 9.263 3.862 ( 1.389 9.675 2.724) 10.146 3.992 ( -3.809 1.155 20.057) 20.448 4.105 ( 1.212 6.252 11.670) 13.295 4.356 ( 1.864 14.178 5.181) 15.209 4.727 ( -1.755 7.504 3.602) 8.506 4.843 ( -2.360 13.010 -0.720) 13.242 5.065 ( -4.876 6.077 -2.931) 8.324 5.161 ( 0.290 4.709 -1.610) 4.986 5.310 ( -1.015 16.278 -3.175) 16.616 5.439 ( 0.836 -2.128 -1.633) 2.809 5.581 ( -1.161 -4.807 3.116) 5.845 5.642 ( -0.886 -8.952 3.486) 9.647 5.890 ( 4.170 -8.776 -2.092) 9.939 5.985 ( 0.491 6.202 -5.288) 8.165 6.205 ( -0.914 -5.547 -1.952) 5.951 6.680 ( -0.607 -10.386 -4.243) 11.236 7.247 ( -0.017 -0.334 -0.888) 0.949 7.322 ( -5.359 -5.489 -2.053) 7.941 7.516 ( 4.454 0.342 4.179) 6.117 7.822 ( 3.578 -5.672 -2.037) 7.009 8.147 ( -1.188 15.046 1.722) 15.191 8.522 ( -0.036 8.070 -5.109) 9.551 9.207 ( -1.505 3.999 2.399) 4.901 9.340 ( -0.409 -2.019 3.926) 4.433 9.725 ( -0.776 3.463 0.233) 3.557 10.068 ( 1.525 -2.870 8.393) 9.001 10.501 ( 1.415 6.312 1.832) 6.723 10.648 ( 2.893 4.035 -6.422) 8.118 10.882 ( -4.317 2.379 -4.997) 7.019 11.057 ( 1.660 -2.219 2.367) 3.645 11.288 ( 1.076 -7.805 -7.354) 10.778 11.506 ( -3.646 -7.888 -3.619) 9.413 11.951 ( 0.986 10.172 9.045) 13.647 12.432 ( 0.181 -3.412 7.175) 7.947 12.754 ( 0.340 4.047 -4.122) 5.787 13.008 ( -0.388 -6.124 -3.178) 6.910 16.578 ( -0.562 -10.274 -0.169) 10.291 16.600 ( -0.584 -10.827 -0.417) 10.850 16.984 ( -2.446 1.375 -14.792) 15.056 17.247 ( -2.365 -8.024 -15.832) 17.906 18.000 ( 2.519 2.572 9.151) 9.834 18.113 ( 0.970 -1.032 9.403) 9.509 18.536 ( 1.804 6.435 0.951) 6.751 18.573 ( -1.419 5.297 0.164) 5.486 21.104 ( 1.322 2.885 -2.307) 3.923 21.218 ( -0.089 4.802 -2.816) 5.568 21.550 ( 0.135 4.029 7.505) 8.519 21.931 ( -0.050 -3.012 1.829) 3.524 ======================= Grid point 133 (65/170) ======================= q-point: ( 0.09 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -2.411 14.273 5.255) 15.400 1.999 ( 1.076 14.951 9.124) 17.548 2.428 ( 0.317 1.470 -8.053) 8.192 2.695 ( 0.561 -1.739 -0.625) 1.931 2.787 ( -2.241 -1.269 -0.923) 2.735 2.835 ( 2.558 -8.330 -3.850) 9.527 3.030 ( -0.835 -2.093 -7.621) 7.947 3.110 ( -1.340 -4.362 2.455) 5.182 3.239 ( 1.051 -6.415 -6.682) 9.322 3.297 ( 1.766 -6.537 2.913) 7.371 3.537 ( 6.723 6.414 6.573) 11.382 3.755 ( -4.342 2.367 -6.141) 7.884 3.967 ( 2.841 20.513 14.562) 25.316 4.099 ( -7.068 2.098 10.818) 13.092 4.335 ( 3.885 -0.049 19.064) 19.455 4.409 ( -5.614 9.754 8.126) 13.881 4.705 ( -3.554 3.771 2.794) 5.887 4.804 ( 0.632 13.099 -0.656) 13.131 4.931 ( -6.621 5.488 -2.567) 8.974 5.149 ( 2.605 6.044 -3.181) 7.310 5.292 ( 1.013 12.330 -2.187) 12.563 5.465 ( 1.254 -2.446 2.008) 3.404 5.572 ( -0.438 3.702 -3.885) 5.384 5.656 ( -2.165 -10.517 6.044) 12.321 5.918 ( 1.806 -5.415 -1.296) 5.853 5.984 ( 4.742 1.900 -3.983) 6.478 6.143 ( -3.401 -5.312 -3.709) 7.317 6.554 ( -4.896 -11.172 -7.291) 14.211 7.188 ( -4.063 -1.608 -1.772) 4.715 7.291 ( 1.710 -3.546 0.460) 3.964 7.669 ( 9.127 0.970 1.488) 9.298 7.900 ( 7.454 -4.492 -2.042) 8.939 8.150 ( -1.067 12.514 2.793) 12.866 8.446 ( -0.624 7.007 -6.307) 9.448 9.225 ( -0.021 3.809 4.234) 5.695 9.376 ( -0.570 -2.102 4.357) 4.871 9.752 ( 0.799 7.240 3.690) 8.165 10.172 ( 2.660 4.131 3.254) 5.893 10.422 ( -13.394 2.983 4.636) 14.484 10.686 ( 7.119 3.754 -3.431) 8.749 10.730 ( -4.840 3.325 -6.962) 9.108 11.090 ( -4.456 -4.605 4.403) 7.775 11.160 ( -2.355 -5.428 -10.698) 12.225 11.401 ( -3.616 -9.135 -2.618) 10.167 12.141 ( 7.887 7.059 9.716) 14.368 12.580 ( 7.418 -6.242 5.896) 11.346 12.749 ( 5.639 4.601 -5.804) 9.309 12.970 ( 1.357 -4.421 -4.447) 6.416 16.569 ( -0.873 -5.447 -4.059) 6.849 16.651 ( 7.471 -7.554 -1.085) 10.679 16.817 ( 0.879 -2.987 -9.509) 10.006 17.108 ( 6.388 -10.815 -12.343) 17.610 18.084 ( -3.536 5.831 4.344) 8.086 18.237 ( 2.955 0.306 7.242) 7.828 18.418 ( -12.723 8.070 -0.167) 15.067 18.587 ( -1.323 3.148 3.244) 4.709 21.125 ( 4.195 1.823 -2.105) 5.035 21.208 ( 3.535 2.214 -4.549) 6.172 21.618 ( -3.775 3.855 9.903) 11.277 21.917 ( -3.997 -2.605 1.274) 4.938 ======================= Grid point 134 (66/170) ======================= q-point: ( 0.18 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 5.278 6.372 11.458) 14.133 2.103 ( 0.512 5.520 6.747) 8.732 2.391 ( 3.644 4.485 -2.987) 6.505 2.664 ( -1.729 -0.310 -3.494) 3.911 2.732 ( -3.080 -1.247 -1.573) 3.677 2.838 ( 1.404 -8.128 -4.120) 9.220 2.939 ( -1.438 2.102 -5.177) 5.770 3.077 ( -1.086 -3.254 -1.896) 3.920 3.164 ( -1.995 -7.648 -4.597) 9.143 3.365 ( 5.289 -5.647 -1.228) 7.834 3.567 ( -5.915 1.323 -5.492) 8.180 3.636 ( -4.090 -1.568 0.390) 4.397 4.011 ( -10.030 8.181 2.808) 13.244 4.241 ( -15.863 10.145 3.449) 19.142 4.292 ( 8.126 19.092 22.724) 30.772 4.629 ( -2.377 -0.663 21.240) 21.383 4.734 ( 4.699 0.049 -0.425) 4.718 4.794 ( 0.340 4.946 -3.018) 5.804 4.893 ( 1.377 6.876 1.586) 7.190 5.152 ( 1.236 5.301 -2.607) 6.036 5.275 ( -2.591 5.124 0.922) 5.815 5.460 ( -2.862 2.522 -1.487) 4.094 5.548 ( 5.832 6.281 -6.861) 10.979 5.723 ( -0.187 -3.595 11.579) 12.126 5.893 ( -3.691 -5.813 -3.072) 7.540 6.029 ( -0.377 -3.749 -2.763) 4.672 6.050 ( 2.523 -4.723 0.082) 5.356 6.394 ( -2.733 -9.754 -11.513) 15.335 7.134 ( -0.574 0.441 -1.318) 1.503 7.335 ( 2.422 -3.665 1.172) 4.547 7.809 ( 7.700 7.706 -0.689) 10.915 7.952 ( 1.688 2.600 -2.793) 4.172 8.196 ( 2.401 5.552 4.371) 7.462 8.407 ( 4.314 2.706 -4.521) 6.810 9.308 ( 3.110 2.054 5.787) 6.884 9.419 ( 0.190 -1.398 3.661) 3.923 9.795 ( -2.152 8.773 4.395) 10.045 10.163 ( -2.369 12.943 -7.256) 15.026 10.321 ( -8.178 -4.320 11.264) 14.575 10.575 ( -2.780 3.236 -6.663) 7.912 10.770 ( 3.929 1.287 -1.668) 4.459 10.914 ( -8.096 -2.676 -6.609) 10.788 11.129 ( -2.297 -5.130 3.004) 6.373 11.324 ( -2.663 -8.926 -2.918) 9.761 12.381 ( 8.931 5.444 9.304) 13.998 12.748 ( 6.168 -7.664 4.025) 10.630 12.785 ( 8.410 4.507 -8.266) 12.624 12.967 ( 4.494 -3.044 -4.209) 6.868 16.496 ( -0.603 2.044 -5.114) 5.541 16.620 ( -1.745 3.057 -6.207) 7.135 16.944 ( 16.487 -11.300 0.312) 19.990 17.180 ( 13.075 -12.081 -4.938) 18.474 17.985 ( -10.772 11.612 -0.193) 15.841 18.174 ( -13.337 10.399 -0.667) 16.925 18.369 ( 2.469 -2.088 4.240) 5.332 18.603 ( -1.981 -1.408 4.042) 4.717 21.180 ( 4.435 1.147 -0.692) 4.633 21.219 ( 4.265 0.844 -4.756) 6.444 21.647 ( -6.027 0.892 9.322) 11.137 21.834 ( -6.849 -3.068 -0.653) 7.533 ======================= Grid point 135 (67/170) ======================= q-point: ( 0.27 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -0.935 -0.225 6.657) 6.726 2.246 ( 9.547 1.077 13.733) 16.760 2.465 ( 6.098 6.578 1.093) 9.036 2.550 ( -4.672 1.239 -7.950) 9.304 2.663 ( -3.436 2.044 -1.601) 4.307 2.787 ( -1.869 -4.226 -2.796) 5.401 2.861 ( -2.472 -0.127 -1.890) 3.114 3.003 ( -5.073 -2.509 -6.331) 8.493 3.138 ( 5.954 -4.335 -3.774) 8.276 3.394 ( -1.414 -5.533 -2.723) 6.326 3.470 ( 1.305 -4.777 -3.645) 6.149 3.538 ( -5.023 -3.158 1.295) 6.073 3.918 ( -7.440 8.919 2.793) 11.946 4.002 ( -13.495 7.474 0.130) 15.427 4.535 ( -6.892 -0.704 8.891) 11.271 4.738 ( -6.626 -11.561 -3.318) 13.732 4.777 ( 6.972 11.363 8.821) 15.986 4.863 ( 4.800 7.239 3.284) 9.285 4.903 ( 0.390 6.249 2.990) 6.938 5.145 ( -3.170 6.944 1.691) 7.818 5.247 ( 1.780 1.585 1.099) 2.624 5.427 ( 2.360 5.240 -2.831) 6.406 5.549 ( -0.374 0.927 -2.418) 2.616 5.726 ( -6.255 -1.543 -5.944) 8.766 5.926 ( 3.257 -3.757 16.022) 16.776 5.982 ( -0.177 -1.486 -4.418) 4.665 6.159 ( 5.319 -3.172 2.898) 6.838 6.214 ( -0.988 -5.225 -13.491) 14.501 7.130 ( 1.184 2.750 -1.002) 3.158 7.385 ( 1.967 -3.031 1.509) 3.916 7.869 ( 1.767 12.589 -4.199) 13.388 7.930 ( -1.559 13.033 2.643) 13.389 8.315 ( 7.267 -2.292 2.423) 7.996 8.475 ( 8.046 -1.177 -2.102) 8.399 9.395 ( -0.184 0.832 1.266) 1.526 9.459 ( 1.232 -1.186 2.385) 2.934 9.784 ( -4.091 6.234 5.348) 9.176 10.031 ( -4.935 6.519 -4.084) 9.140 10.335 ( -2.625 -1.551 5.239) 6.062 10.509 ( 1.917 -0.165 -7.182) 7.435 10.671 ( -5.848 1.926 -3.244) 6.960 10.870 ( 2.304 1.668 -0.280) 2.858 11.106 ( -5.035 -4.433 3.413) 7.527 11.258 ( -1.843 -6.557 -2.353) 7.206 12.615 ( 7.951 4.475 8.738) 12.633 12.793 ( 3.275 4.063 -4.924) 7.175 12.891 ( 8.711 -5.861 -0.548) 10.514 13.008 ( 5.294 -3.983 -3.277) 7.391 16.466 ( 1.217 5.584 -0.842) 5.777 16.553 ( -0.698 4.690 -1.926) 5.118 17.214 ( 13.503 -2.220 2.280) 13.873 17.335 ( 9.512 -1.583 -2.302) 9.914 17.796 ( -9.784 10.475 -0.997) 14.369 18.018 ( -3.945 2.648 -0.220) 4.756 18.423 ( 0.591 -3.363 0.852) 3.519 18.597 ( -2.608 -4.438 0.849) 5.217 21.222 ( 1.830 2.139 -1.803) 3.343 21.252 ( 4.131 -0.199 -0.558) 4.174 21.632 ( -6.489 -3.647 6.038) 9.585 21.697 ( -7.732 -4.505 -2.785) 9.372 ======================= Grid point 136 (68/170) ======================= q-point: ( 0.36 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -1.677 1.556 5.412) 5.876 2.363 ( -5.862 3.548 -8.926) 11.252 2.537 ( 7.777 0.532 5.763) 9.694 2.581 ( 5.629 0.724 2.346) 6.141 2.616 ( -0.266 1.519 6.321) 6.507 2.746 ( -0.003 2.771 -2.115) 3.486 2.830 ( -2.428 -2.374 0.233) 3.403 2.863 ( -1.390 0.380 -4.566) 4.788 3.171 ( 1.156 -4.136 -3.656) 5.640 3.318 ( -3.071 -0.174 -2.341) 3.866 3.451 ( -0.895 -7.853 -2.227) 8.212 3.519 ( -3.163 -2.210 3.335) 5.101 3.807 ( -1.973 1.952 -1.148) 3.003 3.930 ( 1.395 -3.076 0.606) 3.431 4.399 ( -14.328 -6.249 -0.879) 15.656 4.533 ( -11.220 -14.885 -5.250) 19.365 4.761 ( 0.565 8.086 -7.307) 10.913 5.008 ( 2.936 8.997 -0.080) 9.464 5.031 ( 2.270 7.158 -0.367) 7.518 5.091 ( 2.069 6.051 4.648) 7.906 5.348 ( 1.556 -0.820 2.962) 3.445 5.422 ( -3.023 1.821 1.900) 4.008 5.499 ( -4.287 -3.265 1.601) 5.621 5.659 ( 4.232 -0.715 1.102) 4.432 5.895 ( 1.080 3.349 -10.869) 11.425 6.080 ( -0.929 0.919 -3.110) 3.373 6.133 ( 3.236 0.443 7.975) 8.618 6.284 ( 3.975 -1.299 2.942) 5.112 7.141 ( 0.931 5.131 0.379) 5.229 7.430 ( 1.219 -1.774 2.199) 3.077 7.812 ( -1.179 14.307 -4.552) 15.060 7.949 ( -2.721 16.773 5.237) 17.781 8.446 ( 8.863 -4.727 -2.925) 10.462 8.581 ( 6.350 -1.540 -0.934) 6.600 9.328 ( -4.274 2.129 -2.817) 5.544 9.487 ( -0.124 -3.246 -0.011) 3.249 9.801 ( -2.201 1.416 2.915) 3.918 9.955 ( -1.878 -0.177 2.021) 2.765 10.360 ( 0.051 -1.522 3.182) 3.528 10.396 ( -3.099 -2.066 -7.457) 8.335 10.667 ( 4.601 5.988 -0.020) 7.552 10.876 ( -0.546 4.169 -1.879) 4.605 11.066 ( -4.969 -3.727 4.281) 7.544 11.214 ( -0.932 -4.519 -1.620) 4.890 12.778 ( 3.361 4.758 -5.138) 7.768 12.806 ( 3.816 3.673 5.924) 7.946 13.021 ( 5.928 -4.696 2.907) 8.102 13.050 ( 3.950 -4.693 -1.617) 6.344 16.510 ( 1.820 6.428 3.875) 7.723 16.557 ( -0.079 5.512 3.481) 6.520 17.311 ( -4.909 19.100 3.756) 20.075 17.387 ( -0.533 18.918 -2.370) 19.073 17.779 ( 9.975 -7.435 -0.128) 12.441 18.058 ( 6.532 -8.640 0.828) 10.863 18.406 ( -1.499 -5.410 -2.209) 6.033 18.537 ( -3.520 -5.561 -2.589) 7.072 21.212 ( 0.582 1.132 -3.568) 3.788 21.297 ( 0.621 -0.694 0.212) 0.955 21.553 ( -4.345 -6.011 -3.213) 8.083 21.595 ( -5.335 -6.870 4.120) 9.625 ======================= Grid point 137 (69/170) ======================= q-point: ( 0.45 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -4.471 3.331 -6.253) 8.378 2.284 ( 1.832 4.346 0.674) 4.764 2.553 ( -4.542 -0.879 -1.578) 4.888 2.629 ( 1.762 0.066 -2.693) 3.219 2.752 ( 3.572 5.954 0.798) 6.989 2.799 ( 2.258 -2.242 8.956) 9.504 2.823 ( 0.788 0.256 2.644) 2.771 2.883 ( 2.583 0.226 4.003) 4.769 3.080 ( -6.211 1.861 -1.017) 6.563 3.271 ( 1.350 0.069 -4.417) 4.619 3.377 ( -2.140 -5.697 -2.405) 6.543 3.536 ( -0.733 -1.789 3.929) 4.379 3.864 ( 9.693 -8.892 -3.413) 13.590 4.004 ( 5.892 -10.645 -1.236) 12.229 4.125 ( -14.535 -8.276 -4.359) 17.284 4.312 ( -6.860 -17.064 -5.384) 19.163 4.714 ( 4.881 7.625 -10.050) 13.526 4.933 ( 0.649 8.355 -7.632) 11.334 5.029 ( -6.516 -0.391 -5.872) 8.780 5.151 ( -1.177 6.328 5.119) 8.224 5.355 ( 4.900 -1.729 -4.128) 6.637 5.405 ( -2.920 4.876 5.838) 8.148 5.486 ( -2.850 0.310 5.936) 6.592 5.809 ( 3.393 6.085 -0.969) 7.034 5.857 ( 5.334 -0.725 3.844) 6.615 6.040 ( -0.585 2.778 -2.540) 3.809 6.217 ( -0.122 2.106 2.458) 3.239 6.328 ( -1.112 0.497 0.739) 1.425 7.181 ( 1.284 6.236 4.050) 7.545 7.469 ( -0.356 -0.662 3.277) 3.362 7.753 ( 0.568 14.762 -4.630) 15.481 7.958 ( -3.348 15.585 5.349) 16.814 8.505 ( 4.588 -4.662 -7.158) 9.696 8.617 ( 1.835 -0.165 -4.427) 4.795 9.269 ( -0.201 1.286 -0.194) 1.316 9.470 ( -0.398 -4.902 -1.497) 5.141 9.772 ( -0.657 -0.831 -1.551) 1.879 9.947 ( -5.337 -5.056 1.743) 7.555 10.339 ( 4.089 1.113 -1.659) 4.552 10.410 ( -0.179 -0.632 5.233) 5.274 10.734 ( 4.333 4.330 -2.523) 6.625 10.829 ( -1.713 5.569 -2.168) 6.217 11.036 ( -4.431 -2.245 3.644) 6.161 11.201 ( 0.913 -3.671 -0.518) 3.818 12.767 ( 2.832 3.493 -4.663) 6.478 12.854 ( -2.509 1.017 0.140) 2.711 13.112 ( 2.875 -1.882 3.926) 5.217 13.142 ( 2.411 -2.874 5.582) 6.726 16.592 ( 0.800 5.864 6.495) 8.787 16.613 ( -1.678 5.525 8.560) 10.325 17.244 ( -5.620 25.918 2.359) 26.625 17.351 ( -0.373 25.178 0.823) 25.194 17.973 ( 10.702 -8.954 -0.308) 13.957 18.133 ( -1.265 -9.157 0.963) 9.294 18.365 ( 2.219 -8.156 -3.991) 9.348 18.446 ( -2.432 -5.210 -4.094) 7.059 21.165 ( 1.190 -2.955 -6.783) 7.494 21.239 ( -2.750 -5.032 -6.373) 8.573 21.531 ( 1.249 -4.090 2.818) 5.121 21.576 ( -2.945 -5.805 4.123) 7.705 ======================= Grid point 138 (70/170) ======================= q-point: (-0.45 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -0.129 2.063 -2.179) 3.003 2.287 ( -3.976 -3.705 -8.517) 10.103 2.408 ( 0.316 7.525 -2.403) 7.906 2.683 ( -3.023 1.039 -1.285) 3.445 2.710 ( -4.409 4.015 4.875) 7.702 2.864 ( -0.360 -1.474 3.891) 4.176 2.913 ( 1.162 -1.373 7.634) 7.843 2.996 ( 3.785 0.437 5.605) 6.777 3.075 ( 7.182 3.918 -0.957) 8.237 3.239 ( 0.859 -3.050 -4.849) 5.793 3.372 ( 4.845 -4.328 -3.151) 7.221 3.572 ( -0.331 -0.113 3.604) 3.621 3.861 ( -5.312 -7.805 -5.811) 11.087 3.918 ( -4.924 -8.735 -3.783) 10.717 4.047 ( 7.781 -8.117 -7.766) 13.665 4.321 ( 12.111 -16.916 -3.933) 21.174 4.651 ( -7.943 -0.964 -15.596) 17.529 4.729 ( 6.374 -2.081 -11.885) 13.646 4.999 ( 0.493 9.989 6.216) 11.775 5.165 ( -2.655 8.873 2.196) 9.519 5.395 ( -4.805 0.821 4.857) 6.881 5.416 ( -0.515 1.216 2.829) 3.123 5.559 ( 4.071 3.987 6.317) 8.507 5.781 ( 0.934 8.031 -7.129) 10.779 5.953 ( -4.891 4.024 3.085) 7.045 6.011 ( 0.227 -2.577 1.136) 2.826 6.222 ( 1.576 1.117 -2.991) 3.560 6.306 ( -1.344 1.187 2.747) 3.281 7.252 ( -0.587 5.090 6.068) 7.942 7.488 ( -2.650 -0.310 4.612) 5.328 7.738 ( 3.701 13.482 -3.683) 14.458 7.975 ( -1.134 13.750 4.782) 14.602 8.404 ( -4.122 -3.777 -10.295) 11.715 8.582 ( 1.625 0.108 -6.074) 6.288 9.313 ( 3.798 0.401 1.415) 4.073 9.436 ( -1.012 -3.227 -3.087) 4.579 9.755 ( -2.210 -3.715 -1.020) 4.441 9.850 ( -2.110 -3.298 -2.085) 4.436 10.429 ( 0.713 2.935 1.622) 3.428 10.473 ( 4.421 1.991 5.758) 7.527 10.742 ( -0.603 1.060 -0.393) 1.281 10.778 ( -0.081 3.294 -4.515) 5.590 11.030 ( -0.543 -0.006 3.082) 3.129 11.225 ( 2.204 -3.512 0.048) 4.146 12.739 ( -5.120 1.366 -3.062) 6.120 12.789 ( 0.529 -0.526 -2.092) 2.221 13.188 ( -0.579 -0.041 5.475) 5.506 13.211 ( -2.349 -0.785 6.311) 6.779 16.649 ( -4.089 6.853 8.671) 11.784 16.700 ( -0.638 4.889 10.386) 11.497 17.221 ( 0.101 24.753 1.499) 24.799 17.425 ( 5.899 24.102 4.901) 25.293 17.961 ( -10.628 -9.422 -0.924) 14.233 18.109 ( -1.864 -7.873 -0.412) 8.101 18.341 ( 1.082 -4.492 -4.916) 6.747 18.428 ( 4.565 -5.681 -4.503) 8.567 21.124 ( 2.861 -6.651 -7.739) 10.598 21.131 ( 2.679 -7.656 -9.349) 12.377 21.577 ( -2.898 -2.625 3.809) 5.459 21.608 ( 2.475 -3.297 4.480) 6.088 ======================= Grid point 139 (71/170) ======================= q-point: (-0.36 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -7.922 2.918 -6.346) 10.562 2.093 ( -1.390 3.578 -0.768) 3.915 2.450 ( 5.059 3.050 -3.182) 6.709 2.587 ( -3.627 0.556 0.701) 3.736 2.704 ( -2.335 2.257 1.388) 3.531 2.896 ( 0.277 -3.256 2.656) 4.211 3.012 ( -1.066 -6.737 7.477) 10.121 3.115 ( 5.708 -0.632 2.114) 6.120 3.187 ( 0.981 -0.693 -2.218) 2.522 3.244 ( 10.096 -1.066 -0.061) 10.152 3.432 ( 7.720 -1.040 -3.934) 8.727 3.595 ( -1.286 -2.746 4.059) 5.066 3.777 ( 0.579 1.510 -1.939) 2.525 3.849 ( 3.476 -1.769 -5.661) 6.874 4.030 ( 5.114 -4.053 -13.316) 14.829 4.246 ( -12.159 5.654 -16.110) 20.961 4.523 ( 14.216 -14.290 -7.338) 21.451 4.820 ( 8.551 -5.811 -0.302) 10.343 5.035 ( -5.261 6.304 0.422) 8.222 5.169 ( -0.083 8.520 9.037) 12.420 5.343 ( -5.350 2.928 2.129) 6.460 5.441 ( -1.181 0.540 4.321) 4.512 5.594 ( -4.479 1.242 -6.226) 7.769 5.789 ( 5.908 4.793 5.300) 9.271 5.868 ( -5.849 5.409 -0.326) 7.973 6.031 ( 1.153 1.530 0.718) 2.046 6.187 ( -2.935 -1.022 0.305) 3.123 6.359 ( 4.195 -2.260 -1.171) 4.907 7.270 ( -4.203 4.060 4.470) 7.358 7.477 ( -4.985 0.204 3.542) 6.119 7.795 ( 5.625 10.538 -0.138) 11.946 8.035 ( 1.319 11.953 5.802) 13.352 8.206 ( -5.530 -1.987 -9.908) 11.519 8.531 ( 0.071 -0.265 -5.525) 5.532 9.339 ( -1.245 -2.032 -3.132) 3.936 9.391 ( -1.467 -1.866 -1.738) 2.943 9.678 ( -1.834 0.555 -0.442) 1.967 9.887 ( 5.674 -2.988 -1.136) 6.513 10.396 ( -4.903 6.307 0.816) 8.030 10.607 ( 3.783 3.660 -0.418) 5.280 10.708 ( -0.255 -2.014 2.839) 3.490 10.786 ( 4.349 1.801 -1.804) 5.040 11.079 ( 2.340 0.059 2.967) 3.780 11.268 ( 3.047 -4.735 0.325) 5.640 12.571 ( -9.999 2.844 -3.660) 11.021 12.802 ( 0.711 -4.452 0.360) 4.523 13.199 ( -5.284 0.228 4.104) 6.694 13.201 ( -6.222 1.025 4.865) 7.964 16.671 ( -3.876 8.294 7.150) 11.616 16.818 ( -0.579 4.490 13.168) 13.924 17.255 ( 0.461 16.522 1.174) 16.570 17.622 ( 6.006 17.711 10.358) 21.379 17.761 ( -10.118 -9.422 -0.470) 13.834 18.033 ( -4.270 -4.374 -1.173) 6.224 18.292 ( 0.014 -1.647 -7.387) 7.568 18.416 ( 1.751 -4.198 -7.685) 8.930 21.079 ( 5.204 -5.801 -8.027) 11.188 21.150 ( 8.080 -8.549 -6.544) 13.461 21.553 ( -4.740 0.715 2.399) 5.360 21.695 ( 2.762 -3.692 3.408) 5.734 ======================= Grid point 140 (72/170) ======================= q-point: (-0.27 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -6.377 11.586 -2.740) 13.505 2.039 ( -6.434 14.279 -1.386) 15.723 2.508 ( 4.048 -2.658 2.226) 5.330 2.602 ( 3.775 -3.360 -0.337) 5.065 2.711 ( 1.782 0.076 0.524) 1.859 2.926 ( 1.162 -4.895 0.340) 5.043 2.995 ( -3.760 -6.275 -0.427) 7.328 3.181 ( 3.488 -7.927 -1.475) 8.785 3.255 ( 2.899 -2.121 7.701) 8.497 3.338 ( 1.043 -1.459 -2.226) 2.859 3.531 ( 5.291 2.528 -2.191) 6.260 3.645 ( 2.678 -0.855 1.995) 3.447 3.775 ( 1.828 -0.751 -7.505) 7.761 3.854 ( 4.906 3.948 -7.238) 9.594 3.941 ( -4.336 20.060 -6.404) 21.499 3.998 ( 7.735 -0.555 -7.975) 11.123 4.613 ( 7.626 -5.621 -7.487) 12.075 4.911 ( -2.399 7.730 2.327) 8.421 4.937 ( -2.786 1.926 0.840) 3.489 5.263 ( -2.231 1.789 4.871) 5.648 5.319 ( 2.264 -1.779 0.343) 2.900 5.441 ( -4.466 0.127 4.895) 6.628 5.517 ( 0.846 -1.408 1.355) 2.129 5.760 ( -4.820 1.389 -1.895) 5.362 5.940 ( 2.947 -0.983 3.062) 4.362 6.069 ( 3.325 3.029 0.822) 4.572 6.169 ( -0.984 0.702 3.438) 3.644 6.372 ( 3.375 -4.410 -6.766) 8.753 7.246 ( -3.756 3.469 3.565) 6.233 7.415 ( -5.581 -0.039 1.307) 5.732 7.864 ( 0.536 8.267 0.940) 8.338 8.018 ( -4.808 1.132 -4.861) 6.930 8.145 ( 1.349 7.372 4.490) 8.737 8.477 ( 1.031 1.592 -4.140) 4.554 9.265 ( -2.799 -1.423 -3.293) 4.550 9.314 ( -4.180 -2.058 -0.888) 4.744 9.705 ( 2.819 3.480 0.532) 4.509 9.958 ( 4.825 -3.311 -1.767) 6.113 10.325 ( -3.835 6.283 0.199) 7.364 10.605 ( 2.137 2.625 -2.442) 4.174 10.784 ( 4.062 -0.509 0.062) 4.094 10.857 ( 5.016 4.055 0.780) 6.497 11.174 ( 5.224 -1.562 3.799) 6.646 11.324 ( 3.100 -7.097 0.568) 7.766 12.362 ( -11.838 5.447 -2.718) 13.311 12.790 ( -4.471 -8.045 1.228) 9.286 13.110 ( -9.528 2.199 2.460) 10.083 13.140 ( -6.178 -0.426 1.692) 6.420 16.684 ( -2.590 6.379 4.077) 8.001 16.973 ( 0.807 4.347 14.147) 14.822 17.181 ( -12.517 -1.152 1.036) 12.612 17.592 ( -9.890 -9.656 7.833) 15.888 17.905 ( 9.686 11.880 7.249) 16.956 18.020 ( 5.490 5.397 -1.367) 7.819 18.172 ( -2.455 -0.301 -9.882) 10.187 18.324 ( 1.649 -1.759 -11.467) 11.718 21.105 ( 6.450 -2.262 -4.844) 8.378 21.227 ( 8.601 -7.391 -3.745) 11.942 21.481 ( -6.661 4.308 0.928) 7.987 21.767 ( 3.071 -4.424 1.420) 5.569 ======================= Grid point 141 (73/170) ======================= q-point: (-0.18 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 0.182 20.567 3.552) 20.873 1.913 ( -6.926 21.830 0.837) 22.918 2.597 ( 1.421 -2.000 2.144) 3.258 2.642 ( 1.213 -3.551 -1.650) 4.099 2.760 ( 4.348 -4.292 2.303) 6.529 2.927 ( -0.980 -3.565 0.031) 3.697 2.978 ( 2.863 -7.510 -1.152) 8.120 3.167 ( -7.548 -2.982 -6.916) 10.663 3.266 ( 1.862 -2.460 -1.226) 3.320 3.392 ( -1.524 -4.177 11.731) 12.545 3.443 ( -0.460 2.032 -9.806) 10.025 3.676 ( 1.950 5.412 -2.595) 6.311 3.756 ( 2.555 -0.730 -2.073) 3.370 3.865 ( 0.926 4.732 -1.039) 4.932 3.969 ( 5.237 6.021 -3.991) 8.922 4.049 ( 9.434 13.579 -1.867) 16.640 4.657 ( 3.583 4.102 -0.617) 5.481 4.847 ( -1.652 10.696 0.185) 10.825 4.985 ( 2.906 5.141 4.294) 7.302 5.227 ( -2.973 9.591 -0.885) 10.080 5.396 ( -0.533 -5.610 6.228) 8.399 5.444 ( 1.735 1.765 0.010) 2.475 5.549 ( -1.713 -8.476 3.075) 9.177 5.673 ( -4.847 -6.641 -0.655) 8.247 5.926 ( -2.275 -3.155 -3.080) 4.961 6.129 ( 2.718 -1.266 -3.027) 4.261 6.217 ( -2.230 2.498 5.377) 6.335 6.401 ( 12.478 -3.750 -3.987) 13.626 7.241 ( -0.941 2.406 1.999) 3.266 7.355 ( -3.716 -1.705 2.074) 4.585 7.766 ( -10.521 1.706 -1.817) 10.812 7.952 ( -0.570 1.829 -3.928) 4.370 8.154 ( -4.214 8.717 3.063) 10.155 8.502 ( 4.810 6.143 -1.342) 7.917 9.203 ( -2.123 1.183 0.162) 2.436 9.281 ( -0.269 -1.790 0.708) 1.944 9.743 ( 0.809 2.554 1.512) 3.077 9.980 ( 0.269 -5.725 -1.854) 6.024 10.316 ( 3.044 7.280 0.381) 7.900 10.634 ( 5.119 3.855 -3.884) 7.494 10.848 ( 4.123 -2.604 1.087) 4.996 10.936 ( 4.556 7.074 -0.107) 8.415 11.306 ( 7.115 -4.870 -0.942) 8.673 11.379 ( 2.803 -7.202 3.017) 8.296 12.151 ( -12.637 7.801 -0.225) 14.852 12.663 ( -12.702 -7.410 0.611) 14.718 12.970 ( -9.358 2.770 -0.226) 9.762 13.076 ( -2.924 -3.360 0.334) 4.467 16.668 ( -2.993 -0.297 0.936) 3.150 16.931 ( -18.403 -8.545 1.617) 20.354 17.133 ( 2.578 2.092 7.051) 7.793 17.558 ( -6.411 -10.828 6.470) 14.149 17.962 ( -4.415 1.656 -4.455) 6.487 18.028 ( -2.404 -0.300 -4.121) 4.780 18.191 ( 13.828 10.037 -0.676) 17.100 18.350 ( 12.736 6.700 -2.495) 14.606 21.143 ( 2.366 0.627 -2.116) 3.236 21.330 ( 6.703 -5.547 -0.435) 8.711 21.378 ( -5.893 9.042 -0.073) 10.793 21.827 ( 3.675 -4.641 0.254) 5.925 ======================= Grid point 142 (74/170) ======================= q-point: (-0.09 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -2.488 23.260 4.115) 23.751 1.932 ( 0.656 25.365 7.438) 26.441 2.565 ( -1.637 1.680 -4.247) 4.852 2.615 ( -2.887 -0.267 1.776) 3.400 2.881 ( -0.881 -1.629 1.385) 2.312 2.915 ( 1.255 -6.360 1.218) 6.596 2.986 ( -0.656 2.694 0.284) 2.787 3.005 ( 1.380 -7.112 -3.299) 7.960 3.263 ( 1.239 -4.758 -9.092) 10.337 3.386 ( 2.604 -7.149 0.713) 7.642 3.504 ( 0.675 -0.459 2.570) 2.696 3.613 ( 1.095 -4.735 -7.287) 8.760 3.822 ( -0.396 5.774 8.120) 9.972 3.855 ( 0.037 3.483 3.255) 4.767 3.994 ( 0.649 8.798 5.382) 10.334 4.236 ( 8.959 15.612 2.842) 18.223 4.694 ( 1.041 9.445 1.849) 9.680 4.858 ( 0.227 10.934 0.793) 10.965 5.093 ( 3.918 5.641 2.216) 7.216 5.174 ( -2.285 6.552 -1.635) 7.129 5.377 ( -4.395 13.627 1.632) 14.411 5.480 ( -0.085 -3.536 -3.916) 5.276 5.556 ( -1.146 -7.015 5.241) 8.832 5.612 ( -1.574 -12.070 1.509) 12.266 5.868 ( 1.119 -5.343 -3.526) 6.499 6.070 ( -1.660 0.599 -6.479) 6.715 6.225 ( -1.206 -2.110 1.370) 2.790 6.609 ( 11.854 -7.373 0.117) 13.961 7.248 ( 0.898 1.150 -0.794) 1.661 7.357 ( -0.394 -4.375 3.218) 5.445 7.564 ( -11.271 0.831 -1.252) 11.371 7.860 ( -3.662 -4.281 -3.836) 6.816 8.143 ( -1.094 14.697 2.107) 14.887 8.545 ( 2.657 7.900 -2.657) 8.748 9.199 ( -0.661 3.227 2.054) 3.882 9.303 ( 0.397 -1.493 2.518) 2.954 9.755 ( -1.051 1.112 -0.437) 1.591 9.975 ( -0.664 -6.035 5.022) 7.879 10.409 ( 7.639 7.252 -0.649) 10.553 10.661 ( 4.034 5.085 -4.743) 8.039 10.923 ( 3.082 -6.357 -0.284) 7.070 11.001 ( 3.308 8.480 0.634) 9.124 11.326 ( 2.029 -8.738 -5.234) 10.386 11.496 ( 5.938 -5.881 1.365) 8.468 11.975 ( -11.348 9.802 3.731) 15.453 12.467 ( -11.723 -3.945 3.043) 12.738 12.833 ( -5.651 3.309 -2.390) 6.971 13.044 ( -1.106 -6.022 -1.172) 6.234 16.625 ( -2.571 -7.722 -0.020) 8.139 16.686 ( -12.538 -10.329 0.233) 16.246 17.153 ( -0.132 1.853 -8.602) 8.801 17.460 ( -5.756 -9.063 -8.099) 13.448 17.895 ( -0.535 2.007 3.539) 4.103 18.010 ( -0.796 -1.964 6.991) 7.305 18.406 ( 12.543 8.344 -0.326) 15.069 18.526 ( 7.459 5.770 1.366) 9.529 21.128 ( -0.840 2.399 -1.838) 3.136 21.276 ( -4.398 6.393 -1.097) 7.837 21.451 ( 4.604 1.941 3.608) 6.163 21.889 ( 3.067 -3.918 0.934) 5.063 ======================= Grid point 143 (75/170) ======================= q-point: ( 0.00 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -2.069 14.941 -4.906) 15.861 2.276 ( -6.430 12.966 -2.740) 14.730 2.541 ( -0.930 -3.724 -0.717) 3.904 2.554 ( 0.458 -8.970 -7.515) 11.711 2.746 ( 2.126 2.118 2.559) 3.945 2.830 ( -1.102 -2.144 2.051) 3.166 2.938 ( 1.805 -2.857 -0.890) 3.494 3.033 ( 0.994 -6.982 -0.133) 7.054 3.151 ( 1.911 0.777 1.566) 2.590 3.192 ( -0.454 -4.731 -3.136) 5.694 3.515 ( 5.857 3.704 -0.834) 6.980 3.610 ( 10.176 -6.533 3.620) 12.622 3.989 ( -2.471 1.823 13.953) 14.287 4.012 ( -2.619 -0.263 14.944) 15.174 4.504 ( -1.966 27.658 6.604) 28.503 4.629 ( 1.026 13.710 4.505) 14.467 4.783 ( -4.763 -2.897 2.436) 6.084 4.942 ( 0.543 -8.426 3.612) 9.184 5.168 ( -4.271 5.142 -0.706) 6.722 5.246 ( -0.711 1.364 2.269) 2.741 5.356 ( -0.805 -2.262 -5.004) 5.550 5.397 ( -1.640 -7.100 1.242) 7.392 5.481 ( -0.350 5.653 -0.230) 5.668 5.675 ( 1.177 -12.437 -1.595) 12.594 5.769 ( 4.324 14.277 0.506) 14.926 5.994 ( 4.514 -8.184 -2.789) 9.753 6.224 ( -2.089 9.555 -5.496) 11.219 6.452 ( -1.088 -12.983 -6.027) 14.355 7.238 ( -1.918 -0.475 -0.329) 2.003 7.248 ( -3.803 -2.060 -0.776) 4.394 7.569 ( 3.494 5.128 0.929) 6.275 7.692 ( 3.323 -7.283 -1.171) 8.091 8.413 ( -0.527 11.887 -1.643) 12.012 8.565 ( -0.016 -3.444 -4.549) 5.705 9.273 ( -1.707 2.866 3.059) 4.526 9.312 ( -1.505 -1.380 3.772) 4.289 9.817 ( 0.608 6.309 6.049) 8.761 9.955 ( 1.548 -7.646 10.352) 12.963 10.632 ( 0.046 7.492 2.232) 7.818 10.757 ( 3.678 -1.463 -3.231) 5.110 10.857 ( -1.074 5.335 -3.547) 6.496 11.045 ( 2.783 -8.019 -9.121) 12.460 11.195 ( -2.277 4.644 -2.647) 5.810 11.345 ( -3.114 -8.797 -4.071) 10.182 12.154 ( 0.076 10.564 6.113) 12.206 12.330 ( -0.115 -7.523 5.438) 9.283 12.827 ( 0.282 3.796 -2.899) 4.784 12.905 ( 0.036 -4.643 -2.405) 5.229 16.444 ( -0.464 -3.493 -0.164) 3.528 16.452 ( -0.496 -4.323 -0.232) 4.358 17.030 ( -2.486 3.440 -15.751) 16.313 17.116 ( -2.451 -5.720 -16.045) 17.210 18.045 ( 2.209 2.200 10.200) 10.666 18.084 ( 1.693 -1.870 10.315) 10.619 18.624 ( 0.912 2.746 0.581) 2.951 18.638 ( -0.342 1.371 0.328) 1.450 21.167 ( 0.624 3.593 -2.582) 4.468 21.229 ( 0.061 -2.386 -3.504) 4.239 21.687 ( 0.007 8.803 6.197) 10.766 21.839 ( -0.045 -6.683 3.525) 7.555 ======================= Grid point 144 (76/170) ======================= q-point: ( 0.09 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -2.908 9.752 -4.288) 11.043 2.189 ( -3.176 1.936 -2.916) 4.727 2.458 ( 0.649 2.630 -3.015) 4.053 2.577 ( 1.235 -8.583 -0.663) 8.697 2.800 ( -0.342 4.894 2.317) 5.425 2.814 ( 0.795 6.234 -1.437) 6.446 2.948 ( -2.596 -7.841 2.778) 8.714 3.013 ( 1.939 -9.442 -5.662) 11.179 3.131 ( 0.446 1.535 -4.519) 4.793 3.202 ( 2.874 -4.365 -1.222) 5.367 3.657 ( 4.460 5.752 3.279) 7.983 3.736 ( -0.357 -2.536 -2.374) 3.492 4.114 ( -3.876 1.335 14.144) 14.726 4.161 ( 2.102 -2.906 19.622) 19.947 4.519 ( -3.930 16.391 7.257) 18.351 4.698 ( -8.953 5.326 5.198) 11.643 4.724 ( -2.033 11.397 9.189) 14.781 4.972 ( -1.547 0.855 2.663) 3.196 5.047 ( -8.054 6.499 -1.051) 10.402 5.249 ( -9.114 -16.004 4.325) 18.919 5.275 ( 3.515 6.632 -3.274) 8.189 5.406 ( 1.862 -5.094 -0.898) 5.497 5.494 ( 1.453 3.645 2.485) 4.644 5.653 ( -0.138 -6.923 0.107) 6.925 5.883 ( 8.429 9.174 -2.220) 12.655 6.029 ( 2.347 -3.621 -3.016) 5.265 6.108 ( -2.614 5.949 -8.411) 10.629 6.312 ( -3.825 -13.448 -9.486) 16.896 7.183 ( -1.766 1.178 -1.151) 2.415 7.227 ( 0.464 -3.110 0.089) 3.146 7.707 ( 11.469 3.515 0.567) 12.009 7.798 ( 10.315 -5.641 -0.930) 11.794 8.371 ( -2.234 9.770 -1.487) 10.132 8.491 ( -2.006 -2.351 -5.155) 6.011 9.290 ( -1.173 2.988 4.922) 5.876 9.337 ( -1.298 -2.093 5.223) 5.774 9.917 ( 0.951 9.672 8.217) 12.727 10.099 ( 0.682 -8.748 11.357) 14.352 10.561 ( -8.629 9.552 -1.486) 12.958 10.716 ( -6.271 -5.392 -2.795) 8.730 10.828 ( 5.591 9.637 -5.851) 12.584 11.014 ( 4.006 -8.807 -8.369) 12.793 11.086 ( -6.156 4.023 -2.634) 7.811 11.224 ( -5.072 -9.062 -3.405) 10.928 12.290 ( 6.504 8.343 7.137) 12.761 12.446 ( 6.048 -7.868 5.282) 11.242 12.829 ( 4.626 3.800 -4.312) 7.378 12.896 ( 3.129 -3.518 -3.727) 6.005 16.500 ( 6.927 -1.295 -1.585) 7.223 16.529 ( 11.311 -4.328 -0.307) 12.114 16.830 ( -1.924 3.422 -13.136) 13.710 16.933 ( 1.609 -7.413 -13.465) 15.455 18.170 ( 0.415 3.470 6.792) 7.638 18.220 ( 2.461 -1.840 7.750) 8.337 18.549 ( -9.377 5.317 0.287) 10.784 18.609 ( -5.170 -0.951 1.493) 5.464 21.165 ( 2.835 2.371 -2.565) 4.499 21.207 ( 2.552 -1.702 -4.026) 5.061 21.724 ( -4.809 6.602 7.169) 10.868 21.842 ( -4.874 -5.326 3.666) 8.097 ======================= Grid point 145 (77/170) ======================= q-point: ( 0.18 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 2.531 4.348 2.942) 5.828 2.141 ( 0.197 -1.771 -0.168) 1.790 2.474 ( 2.516 4.321 0.112) 5.001 2.577 ( -0.407 -6.449 -0.343) 6.471 2.779 ( -1.235 6.726 -1.250) 6.952 2.820 ( -1.180 4.652 -0.222) 4.804 2.918 ( -4.644 -5.936 2.156) 7.839 2.984 ( 2.839 -9.499 -5.182) 11.187 3.109 ( 3.026 6.084 -5.703) 8.872 3.242 ( 4.431 -6.992 -2.727) 8.715 3.591 ( -8.091 1.153 -5.869) 10.062 3.613 ( -7.958 -1.131 -3.366) 8.714 4.195 ( -4.376 10.747 8.848) 14.592 4.375 ( -3.531 -3.559 13.632) 14.525 4.482 ( -13.877 5.470 6.516) 16.277 4.613 ( -6.358 -4.019 3.732) 8.396 4.821 ( -2.866 17.191 18.091) 25.120 4.941 ( -0.320 6.306 -1.149) 6.418 4.987 ( 0.212 1.705 -1.654) 2.385 5.148 ( -8.222 -11.145 8.455) 16.227 5.315 ( 0.422 3.696 0.538) 3.758 5.429 ( 0.509 -5.799 0.619) 5.854 5.599 ( 4.832 0.823 6.278) 7.964 5.668 ( 1.924 -0.282 -3.815) 4.282 5.931 ( -0.297 5.231 -3.711) 6.421 5.978 ( 1.603 -0.699 -5.142) 5.431 6.014 ( 2.431 2.378 -5.223) 6.233 6.189 ( 2.725 -11.607 -11.030) 16.242 7.173 ( 1.481 3.532 -0.518) 3.865 7.254 ( 2.425 -4.631 0.518) 5.253 7.910 ( 13.705 3.562 -0.447) 14.167 7.958 ( 10.657 -1.461 -1.034) 10.806 8.320 ( -3.255 6.572 0.406) 7.345 8.412 ( -1.429 -2.487 -3.353) 4.413 9.348 ( 0.700 2.061 5.668) 6.072 9.385 ( -0.204 -1.921 5.198) 5.546 9.989 ( -3.857 10.901 7.187) 13.615 10.185 ( -7.136 -9.250 10.095) 15.440 10.399 ( -3.186 11.167 -6.997) 13.557 10.563 ( -4.430 -5.277 -6.914) 9.761 10.850 ( 1.041 5.386 -2.913) 6.211 10.890 ( -4.816 0.101 -4.761) 6.773 11.054 ( 0.119 -1.246 0.346) 1.299 11.144 ( -0.868 -9.139 -2.320) 9.469 12.486 ( 7.941 5.848 7.408) 12.335 12.607 ( 7.016 -6.935 4.803) 10.972 12.863 ( 6.603 3.414 -6.312) 9.752 12.917 ( 5.443 -2.486 -5.161) 7.902 16.569 ( 4.339 5.604 -4.255) 8.266 16.679 ( -0.116 -2.058 -6.752) 7.060 16.791 ( 19.190 0.696 -0.865) 19.222 16.946 ( 14.169 -11.531 -4.744) 18.874 18.177 ( -5.840 8.312 1.390) 10.253 18.298 ( -3.427 -4.271 2.344) 5.957 18.384 ( -8.372 9.462 1.232) 12.694 18.535 ( -5.975 -5.859 2.331) 8.687 21.198 ( 3.712 1.057 -1.060) 4.002 21.218 ( 3.372 -0.862 -2.603) 4.346 21.691 ( -8.441 3.480 5.710) 10.769 21.765 ( -8.620 -4.049 1.877) 9.707 ======================= Grid point 146 (78/170) ======================= q-point: ( 0.27 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 2.253 1.447 4.658) 5.373 2.223 ( 5.546 -3.426 6.982) 9.552 2.521 ( 2.452 2.329 -0.704) 3.454 2.568 ( -0.843 -1.081 2.452) 2.809 2.724 ( -4.641 4.034 -0.762) 6.196 2.779 ( -2.377 0.551 -0.488) 2.488 2.873 ( -0.151 1.879 -1.813) 2.616 2.998 ( 4.264 -6.886 -3.683) 8.897 3.061 ( 1.360 6.569 -9.230) 11.410 3.238 ( -0.039 -9.671 -5.821) 11.288 3.441 ( -4.223 0.810 -2.134) 4.800 3.479 ( -3.381 -2.875 -0.280) 4.447 4.138 ( -11.295 13.732 4.111) 18.249 4.207 ( -17.771 12.974 0.744) 22.016 4.400 ( -13.347 -12.108 7.541) 19.535 4.471 ( -13.689 -14.591 -0.444) 20.013 4.940 ( 1.648 5.482 -3.557) 6.740 4.967 ( 0.634 2.150 7.678) 7.999 5.075 ( 5.111 10.282 12.272) 16.807 5.213 ( 0.922 -2.903 11.110) 11.520 5.291 ( -1.940 4.785 -2.218) 5.620 5.417 ( -2.938 -6.182 0.800) 6.891 5.575 ( -2.201 2.744 -9.242) 9.889 5.635 ( -1.905 -3.823 -6.117) 7.461 5.972 ( 7.022 4.548 4.942) 9.717 6.016 ( 4.123 5.107 -4.406) 7.906 6.071 ( 8.151 -5.398 3.059) 10.244 6.123 ( 3.170 -5.173 -8.971) 10.830 7.207 ( 2.729 5.097 0.185) 5.784 7.307 ( 2.964 -5.017 1.088) 5.928 8.062 ( 6.061 8.019 -2.717) 10.412 8.136 ( 12.511 4.435 0.770) 13.296 8.277 ( -3.723 1.680 1.496) 4.350 8.399 ( 3.314 -6.667 -0.644) 7.473 9.408 ( -0.401 0.824 2.588) 2.745 9.431 ( -0.152 -1.539 2.907) 3.293 9.940 ( -9.263 8.943 4.804) 13.743 10.073 ( -12.536 -3.461 2.688) 13.280 10.348 ( 2.350 3.978 -4.626) 6.538 10.447 ( -0.171 -5.223 -8.745) 10.188 10.773 ( -2.334 7.075 0.550) 7.470 10.879 ( 0.260 -2.483 1.824) 3.092 11.050 ( -0.874 0.423 0.046) 0.972 11.129 ( 0.792 -6.473 -1.669) 6.732 12.692 ( 7.056 3.759 8.133) 11.405 12.768 ( 5.352 -4.367 6.380) 9.403 12.888 ( 7.042 3.115 -8.400) 11.395 12.944 ( 5.695 -2.956 -6.132) 8.876 16.577 ( 1.721 5.335 -0.965) 5.688 16.624 ( -0.156 1.304 -1.657) 2.115 17.144 ( 24.040 -1.323 0.850) 24.091 17.215 ( 21.096 -7.604 -0.326) 22.427 18.033 ( -11.107 11.499 -1.315) 16.041 18.136 ( -11.341 3.724 -0.560) 11.950 18.365 ( -1.353 0.030 0.346) 1.397 18.476 ( -4.120 -7.941 0.455) 8.958 21.247 ( 2.664 0.504 -1.398) 3.050 21.250 ( 2.660 0.042 0.928) 2.818 21.592 ( -9.728 -0.318 2.931) 10.165 21.621 ( -10.117 -3.149 -0.647) 10.615 ======================= Grid point 147 (79/170) ======================= q-point: ( 0.36 0.44 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 2.016 3.335 4.268) 5.779 2.339 ( 0.371 -4.862 -0.549) 4.906 2.543 ( 0.735 2.749 5.439) 6.139 2.592 ( -4.231 -1.782 2.689) 5.321 2.683 ( 4.869 5.147 -0.404) 7.096 2.767 ( 1.879 -3.168 -0.289) 3.694 2.885 ( 3.819 7.153 -2.004) 8.352 2.946 ( -1.909 9.794 -4.975) 11.150 3.042 ( 3.520 -8.603 -5.538) 10.820 3.174 ( 1.677 -12.773 -3.570) 13.368 3.398 ( -2.126 2.379 1.140) 3.388 3.463 ( -1.879 -3.789 1.568) 4.511 3.946 ( -12.788 10.888 -0.570) 16.805 3.992 ( -10.024 9.152 0.495) 13.582 4.187 ( -16.917 -13.571 0.016) 21.688 4.234 ( -14.402 -15.332 -1.281) 21.074 4.930 ( 1.869 8.281 -4.458) 9.589 5.042 ( 1.638 -2.943 1.156) 3.561 5.190 ( -0.612 7.088 -9.857) 12.156 5.247 ( -1.342 6.388 4.835) 8.123 5.310 ( 2.280 -0.719 -0.122) 2.394 5.416 ( 0.029 -5.215 3.653) 6.367 5.481 ( -1.848 3.532 1.747) 4.352 5.574 ( 1.705 -6.047 2.839) 6.894 5.994 ( 4.252 5.440 -7.555) 10.235 6.070 ( 2.865 -2.268 -6.237) 7.228 6.176 ( 5.165 3.507 6.747) 9.192 6.242 ( 5.041 -3.067 4.874) 7.653 7.255 ( 2.165 6.431 1.498) 6.949 7.367 ( 2.275 -4.899 2.131) 5.806 8.068 ( 0.165 12.480 -3.515) 12.966 8.218 ( -4.684 5.939 1.965) 7.815 8.335 ( 11.426 -1.593 -2.076) 11.722 8.487 ( 6.398 -8.297 0.318) 10.482 9.369 ( -3.836 2.360 -1.959) 4.911 9.423 ( -2.315 -3.264 -0.912) 4.104 9.863 ( -6.462 4.493 3.578) 8.646 9.936 ( -7.232 -2.437 2.193) 7.940 10.341 ( 1.895 -0.097 -1.772) 2.596 10.359 ( 0.321 -1.700 -6.045) 6.288 10.797 ( 1.994 7.122 1.901) 7.636 10.908 ( -0.154 -3.061 2.137) 3.737 11.031 ( -1.348 2.342 0.073) 2.703 11.118 ( 0.030 -5.410 -1.408) 5.590 12.850 ( 2.140 2.575 -1.842) 3.821 12.859 ( 2.202 1.652 3.412) 4.384 12.959 ( 7.200 -1.605 2.788) 7.886 12.974 ( 5.923 -2.939 -1.995) 6.907 16.614 ( 0.898 3.928 3.827) 5.557 16.635 ( -0.150 1.942 3.822) 4.290 17.525 ( 17.383 2.583 3.460) 17.912 17.541 ( 21.687 -0.506 -0.266) 21.695 17.844 ( -9.497 12.593 -2.146) 15.918 17.999 ( -4.201 -0.807 -0.265) 4.286 18.308 ( -4.725 -1.940 -2.169) 5.549 18.401 ( -4.789 -8.297 -1.431) 9.686 21.238 ( -0.775 1.638 -4.887) 5.212 21.273 ( -0.670 -1.819 -3.095) 3.652 21.473 ( -6.005 -1.810 1.128) 6.372 21.491 ( -6.432 -3.562 4.178) 8.457 ======================= Grid point 148 (80/170) ======================= q-point: ( 0.45 0.44 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -3.587 4.666 -6.713) 8.928 2.306 ( -0.800 -2.526 -2.948) 3.964 2.564 ( -1.963 2.167 2.723) 3.996 2.608 ( 0.279 -2.007 3.975) 4.462 2.795 ( 5.018 2.894 1.821) 6.072 2.837 ( -0.327 -0.152 0.164) 0.396 2.878 ( 4.889 4.671 1.101) 6.851 2.948 ( 1.678 5.246 -0.604) 5.541 3.033 ( 2.736 -2.313 -0.024) 3.583 3.203 ( 2.788 -11.845 -1.612) 12.275 3.349 ( -4.980 5.953 -0.007) 7.762 3.455 ( -0.764 -5.380 2.588) 6.018 3.818 ( -1.586 3.265 -2.016) 4.152 3.894 ( -2.019 0.401 -0.999) 2.288 3.946 ( -10.383 -9.219 -2.234) 14.064 4.022 ( -7.129 -12.284 -3.252) 14.570 4.842 ( 0.850 5.849 -15.997) 17.054 4.940 ( -4.038 -4.362 -16.327) 17.375 5.136 ( 2.405 8.050 -1.113) 8.475 5.237 ( 1.914 -0.808 1.957) 2.854 5.348 ( 0.405 3.123 1.184) 3.364 5.421 ( -3.072 -2.779 4.262) 5.944 5.570 ( 0.753 7.420 10.614) 12.973 5.719 ( 2.281 -7.755 11.687) 14.210 5.982 ( 4.105 6.421 -6.899) 10.280 6.058 ( 2.660 -1.413 -4.545) 5.452 6.265 ( 0.104 2.824 2.123) 3.535 6.313 ( -0.741 -1.874 1.853) 2.737 7.309 ( 0.855 6.812 3.965) 7.928 7.421 ( 0.268 -4.449 3.691) 5.787 8.019 ( 0.249 12.615 -4.982) 13.566 8.163 ( -2.912 1.665 -0.286) 3.367 8.434 ( 4.701 1.403 -4.563) 6.700 8.551 ( 2.370 -6.584 -2.518) 7.436 9.307 ( -0.562 2.889 -0.770) 3.042 9.379 ( -0.418 -4.485 -1.205) 4.663 9.794 ( -3.885 2.847 -0.988) 4.917 9.863 ( -5.347 -4.053 0.092) 6.710 10.362 ( 4.248 1.342 0.668) 4.505 10.389 ( 2.995 -1.432 3.603) 4.899 10.824 ( -0.386 4.787 -1.294) 4.973 10.890 ( -2.892 -0.833 -1.492) 3.359 11.028 ( 0.063 2.890 1.804) 3.407 11.116 ( 1.338 -5.103 -0.137) 5.278 12.821 ( 0.737 2.215 -5.186) 5.687 12.853 ( -1.509 -1.062 -3.594) 4.040 13.095 ( 3.408 -0.032 6.993) 7.779 13.105 ( 3.102 -1.120 7.432) 8.131 16.681 ( -0.417 3.082 7.347) 7.979 16.692 ( -1.359 2.130 8.078) 8.464 17.679 ( -1.226 15.560 0.829) 15.630 17.716 ( -0.522 10.873 -2.021) 11.071 17.863 ( 14.436 0.198 1.269) 14.493 18.022 ( 2.808 -4.260 1.192) 5.239 18.197 ( -3.375 -5.238 -2.200) 6.608 18.305 ( -4.291 -9.512 -1.688) 10.570 21.121 ( -1.114 -0.979 -10.813) 10.915 21.147 ( -2.584 -3.703 -10.885) 11.784 21.485 ( -0.240 -0.876 6.465) 6.528 21.498 ( -1.791 -2.342 6.770) 7.384 ======================= Grid point 149 (81/170) ======================= q-point: (-0.45 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -0.663 3.972 -4.841) 6.297 2.205 ( -2.938 -4.756 -7.560) 9.403 2.554 ( -0.800 6.793 -0.791) 6.885 2.655 ( -0.963 -3.813 0.311) 3.945 2.768 ( -5.283 2.833 3.587) 6.986 2.826 ( -3.217 -2.912 2.206) 4.867 2.965 ( 1.404 7.523 1.003) 7.718 3.050 ( 7.055 2.932 4.974) 9.116 3.112 ( 5.292 -0.579 0.883) 5.396 3.164 ( -3.132 -6.524 -2.396) 7.623 3.332 ( 3.721 3.346 -1.077) 5.119 3.473 ( -0.444 -9.050 1.494) 9.183 3.806 ( 2.056 1.907 -2.043) 3.470 3.848 ( 2.080 2.110 -1.772) 3.452 3.901 ( 6.193 -6.073 -3.691) 9.426 4.019 ( 9.004 -13.344 -1.965) 16.217 4.650 ( -2.104 0.733 -20.505) 20.626 4.681 ( 2.709 -2.469 -19.568) 19.909 5.188 ( -0.569 9.291 5.042) 10.587 5.313 ( 1.458 1.418 5.371) 5.743 5.352 ( -4.170 0.309 3.508) 5.457 5.423 ( -2.411 -2.075 4.618) 5.607 5.683 ( 0.036 8.027 8.147) 11.437 5.827 ( -2.236 -5.870 5.156) 8.127 5.964 ( 2.018 4.666 -3.929) 6.425 6.033 ( 0.620 -0.826 -5.261) 5.361 6.251 ( -2.075 2.480 -0.652) 3.298 6.299 ( -1.795 -1.826 1.965) 3.227 7.357 ( -2.206 5.621 5.815) 8.383 7.449 ( -2.949 -3.721 5.273) 7.096 7.982 ( 3.006 11.598 -5.957) 13.381 8.132 ( 1.518 -1.221 -3.077) 3.642 8.379 ( -3.854 4.805 -4.760) 7.785 8.519 ( -1.147 -6.569 -3.743) 7.647 9.332 ( 2.616 1.774 -0.088) 3.162 9.379 ( 1.014 -2.909 -1.526) 3.438 9.734 ( -1.460 1.370 -2.112) 2.911 9.786 ( -0.604 -3.442 -2.487) 4.290 10.481 ( 5.350 2.291 4.591) 7.412 10.502 ( 3.588 0.402 7.087) 7.954 10.764 ( -2.800 1.541 -2.954) 4.352 10.796 ( -4.199 -1.176 -4.320) 6.138 11.066 ( 1.477 3.686 1.954) 4.425 11.148 ( 1.843 -4.492 0.568) 4.888 12.759 ( -3.812 0.807 -3.894) 5.509 12.774 ( -1.562 -0.887 -3.564) 3.991 13.195 ( -1.079 0.542 7.222) 7.322 13.203 ( -1.578 -0.276 7.641) 7.807 16.753 ( -2.709 3.570 9.809) 10.784 16.769 ( -1.471 1.819 10.305) 10.567 17.605 ( -4.821 13.620 -1.605) 14.537 17.741 ( 0.718 0.323 -1.697) 1.871 17.887 ( -9.242 9.176 2.969) 13.357 18.027 ( -1.809 -1.301 0.946) 2.421 18.228 ( 5.245 -5.135 -0.870) 7.392 18.293 ( 4.867 -8.240 -1.980) 9.772 21.016 ( 4.085 -3.479 -12.508) 13.610 21.018 ( 4.091 -3.555 -11.998) 13.165 21.549 ( -1.210 -0.356 6.016) 6.147 21.562 ( 0.609 -1.607 6.168) 6.403 ======================= Grid point 150 (82/170) ======================= q-point: (-0.36 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -1.336 2.823 -3.777) 4.901 2.124 ( 2.989 -0.285 0.058) 3.003 2.523 ( 0.409 4.067 -3.922) 5.665 2.582 ( -3.664 -1.602 -1.724) 4.355 2.750 ( -3.609 2.191 2.053) 4.695 2.810 ( -1.600 -4.797 3.037) 5.898 2.956 ( -3.528 2.477 1.290) 4.500 3.064 ( -2.066 -6.180 -4.213) 7.759 3.201 ( 4.495 3.388 3.311) 6.531 3.245 ( 6.797 -0.261 2.148) 7.133 3.415 ( 7.604 1.108 0.734) 7.719 3.496 ( 2.209 -6.579 2.023) 7.229 3.846 ( 5.803 4.673 -5.563) 9.298 3.928 ( 7.803 4.398 -6.558) 11.102 3.948 ( 7.731 0.716 -5.187) 9.338 4.188 ( 14.152 -15.153 -1.736) 20.807 4.413 ( 1.242 8.515 -16.642) 18.735 4.624 ( 10.479 -12.552 -9.877) 19.103 5.177 ( -7.366 7.900 3.882) 11.477 5.285 ( -9.472 -1.123 5.071) 10.802 5.386 ( -0.160 4.098 4.695) 6.234 5.446 ( -0.767 -0.997 3.571) 3.786 5.685 ( -5.462 7.261 -3.547) 9.754 5.807 ( -2.169 -3.883 2.038) 4.893 5.950 ( -0.805 4.132 -0.718) 4.270 6.022 ( 1.586 -2.875 2.949) 4.414 6.213 ( -2.101 4.330 0.104) 4.814 6.302 ( 0.463 -4.081 -0.872) 4.199 7.357 ( -5.523 4.849 5.450) 9.149 7.441 ( -5.870 -3.584 5.497) 8.805 7.985 ( 4.681 9.012 -4.942) 11.294 8.122 ( 2.073 -5.094 -6.866) 8.798 8.275 ( -4.076 10.944 1.112) 11.731 8.457 ( -1.764 -7.356 -2.452) 7.952 9.324 ( -1.654 0.489 -2.881) 3.358 9.351 ( -2.085 -2.070 -2.491) 3.852 9.727 ( 3.876 4.172 -1.461) 5.879 9.814 ( 5.897 -4.510 -2.034) 7.698 10.526 ( -3.971 6.962 0.919) 8.067 10.641 ( -1.474 -4.834 2.605) 5.686 10.692 ( 3.991 4.798 -0.154) 6.243 10.774 ( 5.789 -3.039 0.570) 6.563 11.105 ( 0.967 2.766 1.742) 3.409 11.177 ( 1.080 -4.584 0.471) 4.733 12.633 ( -6.894 3.752 -2.860) 8.354 12.713 ( -3.171 -4.619 -1.424) 5.781 13.211 ( -5.517 0.716 5.119) 7.560 13.216 ( -6.009 0.317 5.558) 8.192 16.812 ( -3.402 6.023 9.285) 11.578 16.872 ( -0.912 0.200 11.642) 11.679 17.453 ( -14.668 5.881 0.438) 15.809 17.573 ( -16.268 -7.761 1.776) 18.112 17.940 ( 7.048 12.076 3.919) 14.521 18.036 ( 3.831 2.066 0.929) 4.451 18.254 ( 0.927 -1.039 -4.679) 4.881 18.318 ( 2.599 -5.943 -5.850) 8.735 20.994 ( 9.465 -2.172 -10.017) 13.951 21.017 ( 10.080 -4.603 -9.392) 14.526 21.580 ( -1.934 2.080 3.867) 4.798 21.630 ( 0.685 -3.093 4.154) 5.224 ======================= Grid point 151 (83/170) ======================= q-point: (-0.27 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 1.055 11.251 1.665) 11.423 2.208 ( 2.612 0.054 4.813) 5.476 2.475 ( 0.122 2.405 -4.438) 5.049 2.552 ( 2.061 -3.032 -2.258) 4.306 2.748 ( 1.926 2.374 1.872) 3.585 2.817 ( -0.686 -5.839 1.268) 6.015 2.890 ( -5.085 0.139 -0.516) 5.113 3.013 ( 0.631 -9.366 -3.272) 9.941 3.276 ( -0.436 3.319 5.639) 6.558 3.328 ( 0.062 -1.156 2.481) 2.738 3.563 ( 8.575 1.561 -1.088) 8.784 3.602 ( 8.047 -2.642 0.466) 8.482 3.772 ( -0.370 1.088 -13.297) 13.346 3.830 ( 1.374 -4.528 -14.437) 15.193 4.131 ( 14.659 13.882 -0.997) 20.213 4.345 ( 6.023 14.549 -2.446) 15.935 4.433 ( 15.487 -7.058 -2.617) 17.220 4.746 ( 10.269 -17.495 -1.037) 20.313 5.081 ( -6.841 7.632 1.943) 10.432 5.202 ( -6.452 -5.224 4.171) 9.291 5.393 ( -2.410 6.231 2.077) 6.996 5.466 ( -3.786 -0.348 3.861) 5.419 5.554 ( -4.250 6.623 -2.136) 8.154 5.720 ( -5.907 -7.650 -3.339) 10.225 5.986 ( 0.924 5.880 0.932) 6.025 6.081 ( 0.996 -2.820 1.676) 3.429 6.204 ( 0.438 3.808 2.863) 4.784 6.289 ( 1.157 -4.587 -2.526) 5.363 7.318 ( -5.844 4.032 4.477) 8.393 7.387 ( -6.982 -2.859 3.675) 8.392 7.980 ( -2.280 4.005 -3.810) 5.979 8.023 ( -3.857 -0.797 -4.625) 6.075 8.300 ( 2.138 8.469 2.794) 9.171 8.439 ( 2.806 -5.370 -0.579) 6.087 9.259 ( -2.120 0.559 -2.253) 3.144 9.279 ( -2.883 -1.516 -1.437) 3.560 9.785 ( 3.902 4.755 -1.508) 6.333 9.877 ( 4.216 -4.808 -2.611) 6.907 10.457 ( -2.022 7.293 -1.616) 7.739 10.583 ( -0.291 -5.145 -1.975) 5.518 10.833 ( 7.350 5.858 0.654) 9.422 10.913 ( 7.468 -0.319 3.440) 8.228 11.144 ( 1.828 -0.483 1.965) 2.727 11.194 ( 0.279 -5.516 1.242) 5.661 12.484 ( -9.078 7.321 -1.361) 11.741 12.634 ( -6.406 -8.248 0.058) 10.444 13.140 ( -8.715 0.815 2.424) 9.082 13.143 ( -8.076 0.325 2.169) 8.369 16.821 ( -6.711 7.899 4.613) 11.346 16.967 ( -3.976 -6.278 6.923) 10.156 17.204 ( -16.810 6.899 6.963) 19.459 17.387 ( -12.743 -11.146 8.298) 18.854 18.080 ( 2.449 6.309 1.033) 6.846 18.154 ( -0.387 -1.800 -4.699) 5.047 18.171 ( 8.370 7.946 -3.523) 12.067 18.281 ( 6.868 -3.479 -7.666) 10.865 21.074 ( 10.261 -0.311 -5.134) 11.478 21.111 ( 10.993 -4.270 -4.694) 12.693 21.574 ( -2.321 5.293 1.436) 5.955 21.675 ( 1.196 -5.194 1.604) 5.566 ======================= Grid point 152 (84/170) ======================= q-point: (-0.18 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 4.577 16.376 4.914) 17.699 2.272 ( -0.083 12.976 3.327) 13.396 2.486 ( 3.939 -6.354 0.509) 7.494 2.577 ( 3.806 -7.184 -0.208) 8.132 2.779 ( -2.952 4.969 -4.530) 7.343 2.823 ( -1.401 -3.901 0.629) 4.193 2.843 ( 3.627 -3.456 3.405) 6.058 2.996 ( 0.832 -11.061 -2.593) 11.392 3.270 ( -5.287 1.630 -0.426) 5.549 3.322 ( -6.333 -3.423 4.118) 8.294 3.514 ( 2.185 5.756 -12.972) 14.359 3.644 ( 3.367 -7.036 -14.113) 16.125 3.745 ( 3.830 1.916 3.437) 5.491 3.799 ( 4.114 -3.725 2.211) 5.974 4.347 ( 12.735 17.816 -1.300) 21.938 4.408 ( 2.981 22.295 2.780) 22.665 4.655 ( 10.733 -4.979 2.174) 12.029 4.864 ( 2.893 -14.298 1.893) 14.710 5.062 ( 1.577 5.649 3.591) 6.878 5.202 ( 2.130 -9.038 1.640) 9.429 5.387 ( -2.171 3.924 0.980) 4.591 5.407 ( -2.727 7.053 1.566) 7.723 5.518 ( -2.301 -1.855 1.781) 3.451 5.605 ( -3.131 -6.413 -3.136) 7.795 5.932 ( -4.219 5.725 -4.155) 8.237 6.061 ( -1.197 -5.919 -4.281) 7.403 6.274 ( 0.797 3.155 3.361) 4.678 6.334 ( 6.941 -3.288 0.610) 7.704 7.285 ( -3.664 2.151 3.268) 5.360 7.322 ( -5.265 -1.781 2.847) 6.245 7.818 ( -10.479 3.926 -3.384) 11.690 7.904 ( -7.447 -4.603 -3.611) 9.470 8.366 ( 3.025 10.986 1.559) 11.501 8.519 ( 5.704 -4.237 0.214) 7.109 9.229 ( -0.283 1.519 0.782) 1.732 9.255 ( -0.081 -1.213 1.327) 1.800 9.798 ( -0.499 3.263 -0.302) 3.314 9.874 ( -0.979 -4.910 -1.924) 5.363 10.462 ( 4.551 8.139 -0.963) 9.374 10.611 ( 5.720 -6.572 -1.503) 8.841 10.904 ( 3.338 9.021 -2.577) 9.957 11.055 ( 6.908 0.065 0.546) 6.930 11.176 ( 0.996 -3.098 -0.529) 3.297 11.259 ( 4.194 -6.198 4.212) 8.588 12.322 ( -10.663 9.793 0.397) 14.483 12.506 ( -10.268 -9.201 0.734) 13.807 13.010 ( -8.546 1.512 -0.230) 8.682 13.034 ( -6.550 -1.369 -0.101) 6.692 16.692 ( -11.802 2.916 0.693) 12.176 16.782 ( -17.756 -6.527 0.548) 18.926 17.211 ( -0.268 5.982 7.607) 9.681 17.359 ( -4.260 -9.489 7.136) 12.614 17.990 ( -4.519 1.388 -5.861) 7.530 18.014 ( -3.903 -1.053 -5.753) 7.031 18.359 ( 12.710 6.723 -0.287) 14.382 18.422 ( 12.296 0.345 -0.546) 12.313 21.165 ( 4.851 2.127 -1.356) 5.468 21.229 ( 6.484 -4.577 -0.694) 7.967 21.557 ( 0.105 9.185 0.137) 9.187 21.715 ( 3.053 -7.222 0.236) 7.844 ======================= Grid point 153 (85/170) ======================= q-point: (-0.09 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.650 18.266 0.115) 18.278 2.361 ( 2.002 19.831 4.744) 20.488 2.509 ( 0.357 -9.725 -2.609) 10.075 2.667 ( 0.413 6.329 -1.145) 6.445 2.707 ( 1.014 -14.351 -0.086) 14.387 2.784 ( 0.677 -6.048 -1.238) 6.210 2.923 ( 2.547 -0.023 -0.050) 2.547 2.987 ( -0.658 -3.260 2.781) 4.335 3.172 ( -2.035 -2.813 -4.447) 5.641 3.225 ( -3.587 -7.089 -0.773) 7.982 3.489 ( 3.159 1.375 -2.527) 4.273 3.540 ( 1.746 -3.319 -9.456) 10.173 3.866 ( 0.648 1.698 11.498) 11.640 3.892 ( 1.016 -0.744 7.632) 7.735 4.439 ( 1.965 27.727 3.170) 27.976 4.551 ( 5.489 15.613 3.811) 16.983 4.780 ( 1.686 -2.550 2.886) 4.204 4.901 ( 0.477 -10.674 2.097) 10.889 5.168 ( 4.551 2.156 3.009) 5.866 5.229 ( -2.086 -4.653 1.111) 5.219 5.365 ( 2.356 3.043 -2.348) 4.508 5.450 ( 1.545 1.770 2.542) 3.461 5.472 ( -4.065 -2.594 -0.395) 4.838 5.600 ( 5.407 -4.341 -0.815) 6.982 5.811 ( -4.835 6.952 -3.005) 8.985 5.994 ( 0.452 -8.466 -4.929) 9.806 6.286 ( -0.804 7.449 -1.175) 7.584 6.450 ( 5.960 -9.044 -1.182) 10.896 7.266 ( -1.976 0.828 0.828) 2.296 7.292 ( -2.818 -2.248 2.358) 4.308 7.622 ( -8.848 5.195 -1.975) 10.449 7.744 ( -6.390 -6.964 -3.005) 9.918 8.414 ( 1.696 12.548 -0.143) 12.663 8.580 ( 2.951 -4.092 -2.095) 5.463 9.255 ( 0.287 2.498 2.591) 3.611 9.287 ( 0.189 -0.839 2.988) 3.109 9.785 ( -1.601 2.419 1.772) 3.400 9.858 ( -0.937 -5.359 4.817) 7.267 10.554 ( 6.605 8.024 0.046) 10.394 10.699 ( 6.545 -5.648 -1.403) 8.758 10.900 ( 0.712 8.328 -3.424) 9.032 11.098 ( 2.378 -8.167 -5.866) 10.333 11.205 ( 2.001 5.712 0.515) 6.075 11.360 ( 3.849 -8.182 0.278) 9.046 12.178 ( -8.818 10.800 2.922) 14.246 12.359 ( -8.980 -7.787 2.644) 12.177 12.889 ( -4.843 2.809 -1.818) 5.886 12.949 ( -3.169 -3.877 -1.290) 5.171 16.526 ( -8.649 -2.344 0.224) 8.964 16.544 ( -11.791 -4.340 0.344) 12.569 17.207 ( -0.958 3.980 -8.575) 9.502 17.308 ( -2.889 -6.708 -8.398) 11.130 17.933 ( -0.735 2.059 5.046) 5.499 17.972 ( -0.754 -2.023 6.151) 6.519 18.535 ( 9.249 4.912 -0.163) 10.474 18.582 ( 7.187 0.132 0.357) 7.197 21.187 ( 0.235 3.803 -1.277) 4.019 21.265 ( -0.241 -3.963 -1.319) 4.184 21.604 ( 3.254 10.367 2.888) 11.243 21.779 ( 3.470 -7.662 1.626) 8.567 ======================= Grid point 198 (86/170) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.205 0.000 27.786) 27.787 1.313 ( 2.804 0.000 29.525) 29.657 2.179 ( -2.284 0.000 -18.431) 18.572 2.306 ( -2.634 0.000 -18.284) 18.473 2.466 ( -1.979 0.000 51.440) 51.478 3.058 ( 1.188 0.000 1.989) 2.317 3.187 ( -0.906 0.000 -3.388) 3.507 3.218 ( 5.105 0.000 7.257) 8.873 3.324 ( -0.492 0.000 -2.014) 2.073 3.512 ( -0.100 0.000 1.299) 1.303 3.666 ( 0.104 0.000 -3.394) 3.396 3.686 ( 0.646 0.000 0.659) 0.923 3.874 ( -3.892 0.000 -8.345) 9.208 4.059 ( 1.259 0.000 -15.699) 15.750 4.124 ( 3.764 0.000 -4.059) 5.535 4.248 ( -1.390 0.000 -3.227) 3.514 4.359 ( 8.514 0.000 12.919) 15.473 4.502 ( -3.395 0.000 4.782) 5.865 4.639 ( 0.774 0.000 8.918) 8.951 4.936 ( -6.340 0.000 -7.757) 10.018 4.995 ( 1.307 0.000 12.316) 12.385 5.539 ( -10.500 0.000 12.025) 15.963 5.562 ( 0.093 0.000 -11.811) 11.811 5.865 ( 14.801 0.000 1.088) 14.840 5.986 ( -0.411 0.000 5.489) 5.504 6.214 ( 6.432 0.000 0.773) 6.478 6.247 ( -0.759 0.000 -5.658) 5.708 6.613 ( -13.213 0.000 -17.611) 22.017 7.347 ( -0.289 0.000 0.909) 0.954 7.388 ( 0.890 0.000 -2.658) 2.803 7.523 ( -8.229 0.000 6.713) 10.620 7.789 ( 9.739 0.000 -4.852) 10.881 7.831 ( 8.424 0.000 2.683) 8.841 8.005 ( -7.191 0.000 -3.831) 8.148 9.037 ( 0.465 0.000 7.335) 7.349 9.384 ( -3.639 0.000 -7.690) 8.508 9.639 ( -1.635 0.000 1.111) 1.976 9.688 ( 2.402 0.000 -1.023) 2.611 10.331 ( 3.404 0.000 1.918) 3.907 10.484 ( -0.796 0.000 -4.353) 4.426 11.006 ( -0.172 0.000 6.841) 6.843 11.254 ( 2.466 0.000 -4.263) 4.925 11.445 ( -3.206 0.000 6.283) 7.053 11.688 ( -0.986 0.000 -4.591) 4.695 11.926 ( 0.421 0.000 11.009) 11.017 12.400 ( 0.462 0.000 -10.412) 10.422 12.856 ( -0.368 0.000 4.449) 4.464 13.078 ( -0.667 0.000 -5.106) 5.149 17.132 ( 5.666 0.000 1.051) 5.763 17.210 ( -0.853 0.000 -0.768) 1.148 17.279 ( 4.708 0.000 0.367) 4.722 17.456 ( -7.545 0.000 -10.630) 13.035 17.787 ( -2.492 0.000 0.948) 2.666 17.825 ( 2.312 0.000 -0.770) 2.437 18.157 ( 2.043 0.000 1.395) 2.474 18.209 ( -3.467 0.000 -0.824) 3.564 20.944 ( 2.709 0.000 3.700) 4.586 20.990 ( -2.174 0.000 -1.644) 2.725 21.662 ( 0.471 0.000 6.946) 6.962 21.926 ( -0.563 0.000 -2.875) 2.930 ======================= Grid point 199 (87/170) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 10.106 0.000 23.149) 25.259 1.734 ( 10.699 0.000 25.342) 27.508 1.977 ( 3.574 0.000 -19.335) 19.663 2.097 ( 3.697 0.000 -20.003) 20.342 2.932 ( 0.313 0.000 25.395) 25.397 3.078 ( -3.430 0.000 1.229) 3.643 3.148 ( -1.038 0.000 0.703) 1.254 3.226 ( -7.237 0.000 0.724) 7.273 3.457 ( 11.528 0.000 16.068) 19.776 3.559 ( 2.668 0.000 2.006) 3.338 3.572 ( -2.632 0.000 -9.131) 9.503 3.742 ( 4.269 0.000 5.708) 7.127 3.773 ( 4.474 0.000 -10.009) 10.963 3.912 ( 9.802 0.000 -22.640) 24.671 4.035 ( -18.852 0.000 -7.056) 20.129 4.109 ( -5.878 0.000 3.701) 6.946 4.442 ( -3.882 0.000 0.190) 3.886 4.647 ( 9.515 0.000 4.036) 10.335 4.774 ( 3.919 0.000 8.324) 9.200 4.853 ( 2.657 0.000 -2.430) 3.600 5.126 ( -4.319 0.000 13.092) 13.786 5.358 ( -4.956 0.000 -14.233) 15.071 5.471 ( -7.424 0.000 8.722) 11.454 6.007 ( -10.132 0.000 4.441) 11.063 6.045 ( -1.660 0.000 6.141) 6.362 6.142 ( -1.594 0.000 -6.501) 6.694 6.335 ( 10.305 0.000 -21.636) 23.965 6.440 ( 12.530 0.000 10.261) 16.195 7.320 ( -2.909 0.000 -0.189) 2.915 7.361 ( -1.392 0.000 -1.857) 2.321 7.445 ( -9.722 0.000 5.802) 11.322 7.786 ( -9.607 0.000 -3.805) 10.333 7.932 ( 11.674 0.000 -7.889) 14.090 8.021 ( 9.301 0.000 4.571) 10.364 9.188 ( 6.345 0.000 8.898) 10.928 9.276 ( 1.352 0.000 -6.503) 6.642 9.624 ( -1.438 0.000 1.200) 1.873 9.720 ( 2.942 0.000 -1.677) 3.386 10.376 ( -0.992 0.000 3.344) 3.488 10.402 ( -2.007 0.000 -5.244) 5.615 11.024 ( -5.961 0.000 5.640) 8.206 11.145 ( -7.229 0.000 -5.863) 9.308 11.472 ( -4.676 0.000 6.837) 8.283 11.610 ( -2.633 0.000 -3.911) 4.714 12.098 ( 5.629 0.000 11.212) 12.546 12.334 ( 6.589 0.000 -11.590) 13.332 12.981 ( 7.795 0.000 3.661) 8.612 13.046 ( 3.917 0.000 -4.202) 5.744 17.037 ( -15.548 0.000 -4.403) 16.160 17.048 ( -14.774 0.000 1.539) 14.854 17.132 ( -18.225 0.000 -7.139) 19.573 17.227 ( -13.169 0.000 4.202) 13.823 17.878 ( 10.519 0.000 0.599) 10.536 17.952 ( 12.648 0.000 -0.542) 12.659 18.262 ( 10.154 0.000 -2.121) 10.373 18.281 ( 8.548 0.000 3.786) 9.349 20.974 ( 2.210 0.000 -0.847) 2.367 21.041 ( 5.867 0.000 0.111) 5.868 21.757 ( 0.675 0.000 8.417) 8.444 21.871 ( -0.508 0.000 -5.485) 5.508 ======================= Grid point 200 (88/170) ======================= q-point: ( 0.18 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 7.636 0.000 -14.884) 16.728 1.881 ( 8.214 0.000 -8.489) 11.812 2.089 ( 10.243 0.000 6.931) 12.368 2.187 ( 13.157 0.000 19.447) 23.479 2.935 ( -11.629 0.000 1.666) 11.747 3.028 ( -6.515 0.000 4.985) 8.204 3.115 ( -0.578 0.000 -4.290) 4.329 3.236 ( 2.482 0.000 3.496) 4.288 3.394 ( -3.792 0.000 -12.919) 13.464 3.506 ( -14.308 0.000 -7.720) 16.258 3.705 ( -5.414 0.000 6.581) 8.521 3.746 ( 1.470 0.000 -7.331) 7.477 3.853 ( 8.246 0.000 12.178) 14.707 3.872 ( 16.172 0.000 -22.538) 27.740 4.057 ( 19.102 0.000 16.542) 25.269 4.061 ( -2.948 0.000 2.433) 3.822 4.373 ( -2.380 0.000 -2.484) 3.440 4.706 ( 2.405 0.000 -13.286) 13.502 4.777 ( -8.855 0.000 5.103) 10.220 4.927 ( 6.729 0.000 0.389) 6.741 5.151 ( -3.050 0.000 -9.921) 10.379 5.243 ( 0.304 0.000 15.766) 15.769 5.566 ( 3.825 0.000 9.500) 10.241 5.745 ( -12.516 0.000 -8.985) 15.408 6.058 ( -3.995 0.000 4.213) 5.806 6.061 ( -3.450 0.000 -2.559) 4.296 6.344 ( 7.443 0.000 -10.943) 13.234 6.716 ( 2.587 0.000 12.786) 13.045 7.269 ( -3.662 0.000 0.911) 3.773 7.292 ( -4.911 0.000 -2.526) 5.522 7.376 ( -7.141 0.000 7.597) 10.426 7.585 ( -8.443 0.000 -3.374) 9.092 8.042 ( 13.053 0.000 -8.946) 15.824 8.204 ( 9.061 0.000 2.451) 9.387 9.295 ( 7.994 0.000 -3.694) 8.806 9.344 ( 0.815 0.000 3.522) 3.615 9.675 ( 5.874 0.000 5.640) 8.144 9.739 ( 2.465 0.000 -2.649) 3.618 10.351 ( 3.114 0.000 -3.587) 4.750 10.388 ( -1.955 0.000 3.530) 4.035 10.936 ( -10.369 0.000 -6.392) 12.181 10.955 ( -8.451 0.000 2.814) 8.907 11.430 ( -8.566 0.000 5.492) 10.175 11.511 ( -5.020 0.000 -3.278) 5.996 12.335 ( 8.914 0.000 -11.429) 14.494 12.339 ( 8.911 0.000 11.034) 14.183 13.117 ( 7.545 0.000 0.052) 7.545 13.130 ( 6.370 0.000 2.010) 6.680 16.704 ( -15.853 0.000 -5.684) 16.841 16.797 ( -17.823 0.000 1.435) 17.881 16.800 ( -18.636 0.000 -1.074) 18.667 17.033 ( -18.448 0.000 8.363) 20.255 18.061 ( 11.271 0.000 -0.122) 11.272 18.154 ( 12.843 0.000 -0.427) 12.850 18.398 ( 9.549 0.000 -3.376) 10.128 18.455 ( 7.402 0.000 2.927) 7.960 21.041 ( 6.288 0.000 0.723) 6.329 21.112 ( 4.577 0.000 -1.949) 4.975 21.794 ( -0.067 0.000 -7.449) 7.450 21.855 ( 0.677 0.000 6.704) 6.739 ======================= Grid point 201 (89/170) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 12.803 0.000 -13.973) 18.951 1.900 ( 14.167 0.000 -9.076) 16.825 2.326 ( 0.879 0.000 11.259) 11.293 2.503 ( 2.856 0.000 9.545) 9.963 2.834 ( -12.201 0.000 -4.002) 12.841 2.887 ( -1.639 0.000 13.416) 13.515 3.109 ( -1.276 0.000 2.452) 2.764 3.146 ( -5.718 0.000 -13.387) 14.557 3.206 ( -7.480 0.000 -8.327) 11.193 3.335 ( -1.421 0.000 3.811) 4.067 3.592 ( -11.614 0.000 -2.873) 11.964 3.766 ( -0.869 0.000 8.576) 8.620 3.907 ( 17.402 0.000 -19.462) 26.107 4.078 ( 5.026 0.000 -0.188) 5.030 4.136 ( 17.305 0.000 -8.046) 19.084 4.212 ( 0.619 0.000 0.259) 0.671 4.516 ( -1.685 0.000 -13.551) 13.656 4.635 ( 19.861 0.000 11.663) 23.032 4.730 ( -2.292 0.000 -1.446) 2.710 5.014 ( 6.988 0.000 -6.980) 9.877 5.078 ( 1.713 0.000 -1.181) 2.081 5.387 ( -3.126 0.000 12.836) 13.211 5.516 ( -4.312 0.000 -4.720) 6.393 5.722 ( 1.731 0.000 8.463) 8.638 5.980 ( -5.082 0.000 -0.411) 5.099 6.018 ( -3.395 0.000 -0.015) 3.395 6.269 ( -4.497 0.000 -6.640) 8.019 6.727 ( -13.695 0.000 5.930) 14.924 7.160 ( -6.665 0.000 -2.530) 7.129 7.237 ( -3.606 0.000 3.754) 5.206 7.401 ( -3.355 0.000 10.053) 10.598 7.481 ( -3.197 0.000 0.460) 3.230 8.137 ( 12.369 0.000 -10.201) 16.033 8.361 ( 8.738 0.000 0.248) 8.741 9.313 ( -3.303 0.000 -0.614) 3.360 9.428 ( 11.661 0.000 -1.401) 11.744 9.742 ( 2.572 0.000 -3.581) 4.409 9.894 ( 10.531 0.000 6.602) 12.429 10.400 ( -0.669 0.000 2.619) 2.703 10.424 ( 8.074 0.000 -1.583) 8.227 10.691 ( -11.489 0.000 -6.300) 13.103 10.827 ( -10.133 0.000 0.558) 10.148 11.354 ( -8.336 0.000 5.719) 10.109 11.390 ( -5.539 0.000 -2.829) 6.219 12.358 ( 8.948 0.000 -9.127) 12.782 12.598 ( 8.321 0.000 10.505) 13.401 13.211 ( 2.548 0.000 -0.171) 2.553 13.250 ( 5.882 0.000 2.999) 6.603 16.474 ( -12.375 0.000 1.009) 12.416 16.542 ( -12.005 0.000 2.812) 12.330 16.544 ( -15.615 0.000 0.958) 15.644 16.864 ( -17.093 0.000 12.318) 21.070 18.206 ( 8.118 0.000 -1.760) 8.306 18.330 ( 9.895 0.000 -0.475) 9.906 18.476 ( 6.485 0.000 -4.798) 8.067 18.537 ( 2.844 0.000 -3.773) 4.725 21.159 ( 3.869 0.000 -0.481) 3.899 21.176 ( 7.703 0.000 3.158) 8.326 21.711 ( 0.845 0.000 -8.455) 8.497 21.909 ( -0.593 0.000 2.586) 2.653 ======================= Grid point 202 (90/170) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 14.555 0.000 -7.364) 16.312 2.086 ( 17.925 0.000 -4.594) 18.504 2.255 ( -15.886 0.000 4.057) 16.396 2.543 ( -4.519 0.000 6.826) 8.186 2.779 ( 6.063 0.000 0.057) 6.063 2.838 ( -11.578 0.000 -8.469) 14.345 3.040 ( -4.933 0.000 -1.306) 5.103 3.135 ( -6.284 0.000 3.262) 7.080 3.146 ( 1.212 0.000 0.867) 1.490 3.205 ( -2.519 0.000 7.865) 8.258 3.489 ( -2.782 0.000 0.473) 2.822 3.802 ( -6.271 0.000 1.551) 6.460 3.961 ( -0.825 0.000 -7.921) 7.964 3.963 ( 12.360 0.000 -15.184) 19.579 4.374 ( 9.574 0.000 -9.615) 13.569 4.384 ( 9.275 0.000 4.081) 10.133 4.443 ( 24.360 0.000 -10.066) 26.358 4.686 ( 1.016 0.000 -2.934) 3.105 4.921 ( 5.617 0.000 0.935) 5.695 4.977 ( 3.417 0.000 -10.953) 11.474 5.154 ( 3.957 0.000 5.147) 6.492 5.425 ( -7.059 0.000 9.038) 11.468 5.575 ( 12.434 0.000 1.902) 12.579 5.764 ( -5.356 0.000 4.266) 6.847 5.842 ( -14.721 0.000 -0.555) 14.732 5.981 ( 0.280 0.000 -1.764) 1.786 6.116 ( -5.547 0.000 -1.878) 5.856 6.483 ( -19.547 0.000 -0.060) 19.547 7.084 ( -1.319 0.000 1.746) 2.188 7.233 ( -3.318 0.000 4.942) 5.952 7.452 ( -4.811 0.000 10.426) 11.482 7.475 ( -0.372 0.000 3.200) 3.221 8.203 ( 10.604 0.000 -10.761) 15.108 8.453 ( 3.853 0.000 -3.024) 4.898 9.287 ( 0.174 0.000 1.040) 1.054 9.582 ( 6.800 0.000 -0.924) 6.863 9.768 ( 7.548 0.000 -3.156) 8.181 10.114 ( 10.688 0.000 2.613) 11.002 10.409 ( -10.529 0.000 -3.658) 11.146 10.422 ( 0.445 0.000 1.322) 1.395 10.555 ( 5.335 0.000 -3.957) 6.643 10.658 ( -11.088 0.000 -0.434) 11.097 11.290 ( -8.476 0.000 5.694) 10.211 11.292 ( -2.948 0.000 -2.188) 3.671 12.439 ( 10.762 0.000 -3.579) 11.342 12.806 ( 3.207 0.000 9.448) 9.977 13.214 ( 0.500 0.000 -2.506) 2.556 13.339 ( 1.488 0.000 2.239) 2.689 16.285 ( -10.243 0.000 0.165) 10.244 16.342 ( -10.831 0.000 0.449) 10.841 16.542 ( -2.976 0.000 14.251) 14.558 16.772 ( -13.991 0.000 15.211) 20.667 18.266 ( 4.710 0.000 -5.774) 7.451 18.440 ( 3.813 0.000 -5.119) 6.383 18.473 ( 2.019 0.000 -7.657) 7.918 18.510 ( 4.458 0.000 -4.114) 6.066 21.236 ( 4.482 0.000 2.513) 5.138 21.333 ( 5.336 0.000 5.576) 7.717 21.645 ( 3.165 0.000 -8.462) 9.034 21.890 ( -2.799 0.000 -1.069) 2.997 ======================= Grid point 203 (91/170) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -9.403 0.000 5.334) 10.810 2.187 ( 11.974 0.000 -1.829) 12.113 2.315 ( 13.601 0.000 -1.896) 13.732 2.542 ( -2.277 0.000 -6.520) 6.906 2.586 ( -10.899 0.000 5.246) 12.096 2.879 ( 4.633 0.000 0.278) 4.641 2.895 ( -12.612 0.000 -0.028) 12.612 2.995 ( 3.443 0.000 -4.662) 5.796 3.201 ( 0.545 0.000 6.795) 6.817 3.378 ( -0.776 0.000 -0.922) 1.205 3.456 ( 3.006 0.000 4.283) 5.233 3.589 ( -7.506 0.000 -12.059) 14.205 3.945 ( 5.580 0.000 -11.873) 13.119 3.971 ( 3.595 0.000 -0.949) 3.718 4.375 ( 0.661 0.000 -0.788) 1.028 4.493 ( 3.507 0.000 -4.168) 5.447 4.681 ( 8.315 0.000 -3.450) 9.003 4.840 ( -14.835 0.000 0.476) 14.842 4.900 ( 33.550 0.000 -5.969) 34.077 4.982 ( 6.238 0.000 0.772) 6.286 5.310 ( 7.730 0.000 2.749) 8.204 5.374 ( -9.475 0.000 5.778) 11.098 5.484 ( -24.288 0.000 -1.583) 24.340 5.683 ( -4.628 0.000 -3.459) 5.778 5.830 ( 14.806 0.000 -1.131) 14.849 5.967 ( -3.230 0.000 2.390) 4.018 6.092 ( 2.507 0.000 1.364) 2.854 6.160 ( -17.714 0.000 -3.327) 18.023 7.158 ( 5.291 0.000 4.205) 6.758 7.229 ( -3.508 0.000 3.564) 5.001 7.484 ( -6.078 0.000 11.192) 12.736 7.540 ( 2.021 0.000 6.747) 7.043 8.233 ( 8.130 0.000 -10.397) 13.199 8.402 ( -2.514 0.000 -7.870) 8.262 9.332 ( 2.245 0.000 3.030) 3.771 9.589 ( -0.741 0.000 -3.814) 3.885 9.915 ( 10.486 0.000 0.221) 10.489 10.148 ( -8.562 0.000 -4.218) 9.544 10.344 ( 7.192 0.000 2.264) 7.539 10.437 ( 0.189 0.000 0.413) 0.454 10.487 ( -9.444 0.000 -0.280) 9.448 10.582 ( 4.031 0.000 -5.193) 6.574 11.207 ( -8.634 0.000 4.311) 9.651 11.261 ( 1.672 0.000 -1.454) 2.216 12.612 ( 11.809 0.000 1.897) 11.961 12.858 ( -7.544 0.000 4.626) 8.850 13.220 ( 3.815 0.000 -0.890) 3.918 13.345 ( -2.258 0.000 0.208) 2.268 16.183 ( -3.030 0.000 0.569) 3.083 16.223 ( -4.454 0.000 -0.014) 4.454 16.711 ( 0.859 0.000 18.366) 18.386 16.759 ( -9.763 0.000 16.345) 19.039 18.236 ( 2.967 0.000 -10.044) 10.473 18.289 ( -0.632 0.000 -15.785) 15.797 18.514 ( 2.167 0.000 -0.466) 2.217 18.526 ( 1.659 0.000 -2.081) 2.661 21.342 ( 4.348 0.000 3.239) 5.422 21.426 ( -1.246 0.000 3.919) 4.113 21.654 ( 7.836 0.000 -4.724) 9.150 21.801 ( -5.795 0.000 -2.816) 6.443 ======================= Grid point 204 (92/170) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -12.702 0.000 5.330) 13.775 2.267 ( -13.271 0.000 -7.073) 15.039 2.360 ( 9.688 0.000 0.440) 9.698 2.442 ( 2.054 0.000 -4.517) 4.962 2.593 ( -3.175 0.000 9.086) 9.625 2.859 ( 5.065 0.000 2.171) 5.511 2.969 ( 6.841 0.000 3.897) 7.873 3.016 ( 7.754 0.000 -9.705) 12.423 3.279 ( -0.286 0.000 2.694) 2.709 3.289 ( -0.083 0.000 -5.158) 5.158 3.413 ( 0.148 0.000 -4.675) 4.677 3.543 ( 4.206 0.000 -4.781) 6.368 3.923 ( 2.118 0.000 -2.069) 2.961 3.978 ( -0.158 0.000 -5.959) 5.961 4.357 ( -3.140 0.000 1.944) 3.693 4.440 ( -2.888 0.000 -4.526) 5.369 4.549 ( -21.964 0.000 2.461) 22.101 4.798 ( 7.303 0.000 0.015) 7.303 4.911 ( -23.250 0.000 -5.168) 23.817 5.245 ( -4.588 0.000 1.869) 4.954 5.252 ( 5.270 0.000 11.844) 12.964 5.321 ( 10.723 0.000 -3.501) 11.280 5.523 ( 11.124 0.000 0.774) 11.151 5.600 ( 6.935 0.000 -6.632) 9.596 5.821 ( -15.938 0.000 0.469) 15.945 5.952 ( 1.556 0.000 0.984) 1.840 6.001 ( -0.719 0.000 1.242) 1.435 6.234 ( 15.453 0.000 -3.069) 15.755 7.198 ( -3.898 0.000 1.470) 4.166 7.286 ( 5.899 0.000 1.289) 6.038 7.504 ( -6.619 0.000 10.201) 12.161 7.689 ( 5.122 0.000 9.052) 10.400 8.226 ( -6.038 0.000 -10.244) 11.891 8.235 ( 5.347 0.000 -7.968) 9.596 9.409 ( 2.143 0.000 4.113) 4.638 9.509 ( -2.827 0.000 -4.822) 5.590 9.950 ( -12.465 0.000 -1.069) 12.511 10.040 ( 2.997 0.000 1.708) 3.450 10.367 ( -8.061 0.000 4.418) 9.192 10.446 ( 4.762 0.000 -4.477) 6.537 10.450 ( 4.067 0.000 -3.998) 5.703 10.609 ( 6.178 0.000 -1.488) 6.355 11.143 ( -4.397 0.000 3.996) 5.942 11.310 ( 5.821 0.000 -0.745) 5.869 12.702 ( -13.581 0.000 -0.543) 13.592 12.827 ( 10.276 0.000 4.548) 11.238 13.277 ( -5.228 0.000 -1.830) 5.539 13.293 ( 3.631 0.000 1.830) 4.066 16.204 ( 4.551 0.000 0.772) 4.616 16.206 ( 2.648 0.000 -0.342) 2.670 16.824 ( -4.264 0.000 15.476) 16.052 16.957 ( 6.168 0.000 16.000) 17.147 18.113 ( -0.943 0.000 -13.237) 13.271 18.152 ( 1.735 0.000 -11.385) 11.516 18.509 ( -1.975 0.000 -0.891) 2.166 18.514 ( -1.684 0.000 -0.341) 1.718 21.402 ( -3.603 0.000 0.240) 3.611 21.431 ( 3.423 0.000 1.576) 3.768 21.650 ( -9.407 0.000 -2.786) 9.811 21.755 ( 7.075 0.000 -0.240) 7.079 ======================= Grid point 205 (93/170) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -23.416 0.000 3.712) 23.708 1.919 ( -21.305 0.000 -5.141) 21.916 2.476 ( 8.587 0.000 -1.715) 8.757 2.500 ( 5.887 0.000 2.700) 6.477 2.657 ( 0.300 0.000 5.373) 5.381 2.934 ( 1.238 0.000 -0.375) 1.293 2.986 ( 0.958 0.000 -9.679) 9.726 3.178 ( 11.253 0.000 -0.711) 11.275 3.289 ( 4.694 0.000 3.786) 6.031 3.345 ( 9.235 0.000 1.165) 9.308 3.440 ( -2.588 0.000 3.417) 4.287 3.500 ( 2.874 0.000 -9.451) 9.878 3.776 ( -13.923 0.000 -7.648) 15.885 3.957 ( 1.847 0.000 1.574) 2.427 4.229 ( -18.824 0.000 -2.439) 18.982 4.275 ( -13.617 0.000 0.663) 13.633 4.338 ( -3.373 0.000 4.002) 5.234 4.659 ( -0.074 0.000 -0.886) 0.889 4.830 ( -4.581 0.000 -0.619) 4.623 5.106 ( -10.152 0.000 -2.681) 10.500 5.290 ( -2.976 0.000 -3.894) 4.901 5.508 ( -14.022 0.000 1.053) 14.062 5.525 ( 9.875 0.000 11.382) 15.069 5.697 ( 11.028 0.000 -0.334) 11.033 5.905 ( 18.795 0.000 -2.714) 18.990 5.953 ( -2.334 0.000 1.485) 2.766 6.031 ( 1.819 0.000 2.721) 3.273 6.456 ( 16.992 0.000 -3.713) 17.392 7.148 ( -2.717 0.000 -0.155) 2.721 7.364 ( 4.216 0.000 -1.158) 4.373 7.497 ( -6.112 0.000 6.937) 9.245 7.845 ( 5.389 0.000 1.590) 5.618 8.027 ( -6.127 0.000 -7.237) 9.482 8.237 ( 1.401 0.000 -1.016) 1.731 9.412 ( -2.441 0.000 -4.314) 4.957 9.470 ( -1.204 0.000 3.663) 3.855 9.731 ( -13.417 0.000 -0.402) 13.423 10.044 ( -4.578 0.000 2.390) 5.164 10.320 ( -6.131 0.000 6.184) 8.708 10.441 ( 2.210 0.000 -3.235) 3.918 10.491 ( 7.490 0.000 -5.063) 9.040 10.722 ( 8.955 0.000 -1.286) 9.047 11.167 ( 1.655 0.000 3.912) 4.248 11.412 ( 7.404 0.000 -0.290) 7.409 12.453 ( -15.417 0.000 -2.292) 15.586 13.016 ( 6.088 0.000 5.579) 8.258 13.146 ( -6.655 0.000 -4.471) 8.018 13.355 ( 1.512 0.000 1.881) 2.413 16.299 ( 9.605 0.000 -0.361) 9.611 16.336 ( 11.101 0.000 0.615) 11.118 16.953 ( 1.655 0.000 10.217) 10.350 17.241 ( 12.917 0.000 7.263) 14.819 17.979 ( -2.549 0.000 -5.499) 6.061 18.055 ( -0.200 0.000 -7.396) 7.399 18.441 ( -5.843 0.000 -0.351) 5.854 18.456 ( -5.323 0.000 -0.095) 5.324 21.333 ( -4.370 0.000 -1.188) 4.528 21.443 ( -11.023 0.000 -2.581) 11.321 21.489 ( 0.556 0.000 0.813) 0.985 21.849 ( 4.421 0.000 0.572) 4.457 ======================= Grid point 206 (94/170) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -27.607 0.000 10.280) 29.459 1.513 ( -26.253 0.000 0.645) 26.261 2.524 ( -17.308 0.000 7.039) 18.684 2.679 ( 12.162 0.000 4.729) 13.049 2.699 ( 6.531 0.000 -5.517) 8.550 2.842 ( -6.467 0.000 0.371) 6.478 2.936 ( -0.177 0.000 1.522) 1.532 3.224 ( -10.947 0.000 -3.443) 11.476 3.260 ( -2.853 0.000 -0.174) 2.858 3.390 ( 2.903 0.000 -7.787) 8.311 3.497 ( 7.696 0.000 3.621) 8.506 3.589 ( -0.019 0.000 -9.175) 9.175 3.618 ( 10.143 0.000 8.590) 13.292 3.998 ( 2.835 0.000 -1.200) 3.078 4.009 ( -9.708 0.000 7.201) 12.087 4.165 ( 2.247 0.000 -2.649) 3.474 4.333 ( -3.215 0.000 3.720) 4.917 4.669 ( -11.017 0.000 -2.836) 11.376 4.730 ( 7.430 0.000 -1.304) 7.544 4.903 ( -9.971 0.000 -3.927) 10.716 5.100 ( -17.167 0.000 -0.052) 17.167 5.433 ( 0.415 0.000 1.335) 1.398 5.734 ( 6.173 0.000 1.842) 6.442 5.900 ( 14.404 0.000 1.129) 14.448 5.915 ( -4.806 0.000 1.530) 5.044 6.012 ( -0.818 0.000 1.816) 1.992 6.169 ( 9.799 0.000 -1.336) 9.890 6.693 ( 15.475 0.000 1.221) 15.523 7.132 ( 1.354 0.000 -0.106) 1.358 7.399 ( 3.007 0.000 -2.536) 3.934 7.479 ( -3.685 0.000 4.571) 5.871 7.875 ( 4.039 0.000 -8.567) 9.472 7.885 ( -5.018 0.000 -2.863) 5.777 8.234 ( -5.289 0.000 4.298) 6.815 9.360 ( 1.169 0.000 -2.727) 2.967 9.367 ( -14.740 0.000 1.189) 14.788 9.618 ( -1.801 0.000 2.053) 2.731 9.971 ( -6.949 0.000 1.285) 7.066 10.292 ( -6.823 0.000 6.610) 9.500 10.459 ( 3.228 0.000 -1.682) 3.639 10.575 ( 9.049 0.000 -2.862) 9.490 10.857 ( 9.903 0.000 -0.892) 9.943 11.264 ( 4.985 0.000 3.435) 6.054 11.519 ( 6.556 0.000 -0.814) 6.607 12.191 ( -14.650 0.000 -1.340) 14.711 12.955 ( -10.033 0.000 -3.982) 10.794 13.150 ( 4.065 0.000 1.851) 4.466 13.374 ( -0.475 0.000 -0.643) 0.800 16.494 ( 15.243 0.000 -0.120) 15.243 16.555 ( 15.765 0.000 0.286) 15.767 17.042 ( 4.506 0.000 -6.089) 7.574 17.477 ( 16.675 0.000 -8.942) 18.921 17.936 ( -3.593 0.000 7.188) 8.036 18.033 ( -0.929 0.000 7.813) 7.868 18.318 ( -9.538 0.000 -0.053) 9.538 18.349 ( -8.298 0.000 0.648) 8.323 21.216 ( -14.687 0.000 0.115) 14.688 21.242 ( -4.646 0.000 -2.302) 5.185 21.516 ( 1.613 0.000 0.039) 1.613 21.905 ( 2.150 0.000 0.466) 2.200 ======================= Grid point 207 (95/170) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -23.291 0.000 19.846) 30.600 1.161 ( -25.574 0.000 12.582) 28.502 2.150 ( -42.887 0.000 27.864) 51.144 2.628 ( -3.496 0.000 -7.793) 8.541 2.816 ( -5.123 0.000 -4.318) 6.700 2.952 ( 5.912 0.000 0.832) 5.971 3.010 ( -2.415 0.000 -1.353) 2.769 3.032 ( 15.547 0.000 4.264) 16.121 3.281 ( 0.325 0.000 -2.196) 2.220 3.396 ( 7.754 0.000 -4.393) 8.912 3.516 ( -1.279 0.000 3.719) 3.932 3.616 ( 6.276 0.000 -2.639) 6.808 3.864 ( 5.182 0.000 11.613) 12.717 4.019 ( 3.887 0.000 -4.107) 5.655 4.036 ( 0.509 0.000 12.396) 12.407 4.250 ( 8.825 0.000 -4.415) 9.868 4.281 ( -3.662 0.000 -4.631) 5.904 4.515 ( -8.281 0.000 5.085) 9.718 4.676 ( -14.242 0.000 -4.384) 14.901 4.854 ( 10.954 0.000 -0.709) 10.977 4.885 ( -9.506 0.000 3.477) 10.122 5.460 ( -0.131 0.000 2.669) 2.672 5.742 ( -2.805 0.000 -8.279) 8.741 5.847 ( -1.489 0.000 -1.526) 2.132 5.999 ( -2.916 0.000 2.019) 3.547 6.129 ( 12.108 0.000 0.604) 12.123 6.234 ( 0.553 0.000 -1.050) 1.187 6.954 ( 11.740 0.000 3.764) 12.328 7.190 ( 4.452 0.000 2.025) 4.891 7.405 ( 2.165 0.000 -3.593) 4.195 7.493 ( -1.006 0.000 4.574) 4.683 7.796 ( -3.523 0.000 -1.483) 3.822 7.806 ( 2.117 0.000 -12.267) 12.448 8.167 ( -7.649 0.000 4.169) 8.711 9.149 ( -13.710 0.000 2.537) 13.942 9.388 ( 4.648 0.000 -1.013) 4.757 9.633 ( -0.267 0.000 2.128) 2.145 9.859 ( -7.333 0.000 -1.013) 7.403 10.249 ( -5.937 0.000 4.522) 7.463 10.494 ( 3.578 0.000 -2.193) 4.197 10.715 ( 8.999 0.000 2.127) 9.246 11.012 ( 10.318 0.000 -0.151) 10.319 11.377 ( 4.164 0.000 2.967) 5.113 11.594 ( 5.348 0.000 -2.050) 5.728 11.991 ( -11.354 0.000 3.001) 11.744 12.743 ( -9.044 0.000 -6.556) 11.170 13.191 ( -0.098 0.000 -0.081) 0.127 13.285 ( -7.130 0.000 -7.663) 10.467 16.755 ( 17.189 0.000 -0.789) 17.207 16.823 ( 17.683 0.000 -0.019) 17.683 16.963 ( 4.931 0.000 -14.974) 15.765 17.563 ( 12.937 0.000 -15.479) 20.173 17.979 ( -4.267 0.000 6.544) 7.812 18.123 ( -11.470 0.000 3.026) 11.862 18.216 ( -0.159 0.000 14.100) 14.101 18.233 ( -7.930 0.000 3.237) 8.565 21.012 ( -12.745 0.000 3.127) 13.123 21.145 ( -3.879 0.000 -2.755) 4.758 21.545 ( 1.238 0.000 1.476) 1.926 21.933 ( 0.779 0.000 0.730) 1.067 ======================= Grid point 208 (96/170) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -12.905 0.000 26.685) 29.642 1.074 ( -16.900 0.000 24.013) 29.364 2.047 ( -22.875 0.000 51.500) 56.352 2.429 ( -5.860 0.000 -13.737) 14.935 2.575 ( -7.557 0.000 -14.602) 16.442 3.014 ( 1.971 0.000 1.704) 2.606 3.073 ( 3.081 0.000 5.988) 6.734 3.244 ( 0.730 0.000 -4.794) 4.850 3.273 ( 9.534 0.000 -1.452) 9.644 3.529 ( -2.792 0.000 1.896) 3.375 3.568 ( 12.592 0.000 2.948) 12.933 3.667 ( 2.782 0.000 -1.200) 3.030 3.971 ( 3.412 0.000 -2.095) 4.004 4.031 ( 0.701 0.000 -4.549) 4.603 4.211 ( -0.839 0.000 5.019) 5.089 4.256 ( 1.402 0.000 3.485) 3.757 4.341 ( -9.967 0.000 -12.272) 15.810 4.342 ( 11.323 0.000 7.228) 13.433 4.555 ( -5.214 0.000 11.781) 12.883 4.873 ( -1.444 0.000 8.410) 8.533 5.037 ( 8.930 0.000 -2.687) 9.325 5.503 ( -1.434 0.000 7.788) 7.918 5.571 ( -1.513 0.000 -5.545) 5.748 5.801 ( 1.474 0.000 -7.560) 7.702 5.976 ( -3.783 0.000 3.655) 5.260 6.197 ( -1.468 0.000 -1.854) 2.365 6.262 ( 5.905 0.000 -3.214) 6.723 6.979 ( -7.979 0.000 -9.822) 12.655 7.294 ( 3.745 0.000 3.391) 5.052 7.397 ( 2.148 0.000 -3.643) 4.229 7.533 ( -2.575 0.000 6.633) 7.116 7.728 ( 5.147 0.000 -7.923) 9.448 7.750 ( 0.902 0.000 -1.633) 1.866 8.114 ( -4.071 0.000 0.582) 4.112 9.023 ( -7.287 0.000 5.020) 8.849 9.455 ( 3.316 0.000 -1.546) 3.659 9.645 ( -0.931 0.000 1.569) 1.824 9.727 ( -5.233 0.000 -3.477) 6.283 10.248 ( 2.042 0.000 2.534) 3.254 10.513 ( 2.218 0.000 -3.145) 3.849 10.885 ( 6.463 0.000 5.365) 8.399 11.167 ( 9.571 0.000 -0.652) 9.593 11.440 ( -0.766 0.000 3.163) 3.254 11.671 ( 6.989 0.000 -1.594) 7.169 11.893 ( -8.767 0.000 7.250) 11.376 12.544 ( -5.284 0.000 -8.613) 10.105 12.990 ( -16.209 0.000 -4.771) 16.897 13.152 ( -2.227 0.000 -3.011) 3.745 16.934 ( 14.179 0.000 -2.951) 14.483 17.085 ( 14.678 0.000 -0.233) 14.680 17.088 ( 16.915 0.000 -0.800) 16.934 17.573 ( 7.001 0.000 -12.061) 13.946 17.896 ( -8.299 0.000 -0.009) 8.299 17.924 ( -13.326 0.000 0.645) 13.341 18.176 ( -4.714 0.000 2.306) 5.247 18.307 ( -5.876 0.000 4.509) 7.407 20.911 ( -5.504 0.000 5.119) 7.517 21.061 ( -3.447 0.000 -2.374) 4.185 21.591 ( 0.803 0.000 4.107) 4.185 21.946 ( 0.169 0.000 -0.110) 0.202 ======================= Grid point 209 (97/170) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -2.845 14.735 23.134) 27.576 1.515 ( 2.137 16.958 24.994) 30.279 2.228 ( -1.455 4.733 -17.386) 18.077 2.388 ( -1.997 7.249 -16.049) 17.723 2.621 ( -0.486 15.769 43.959) 46.704 3.046 ( -0.090 -1.026 2.327) 2.544 3.100 ( -0.306 -10.346 4.327) 11.219 3.201 ( 4.688 0.788 -1.559) 5.003 3.295 ( 0.354 -3.518 -2.861) 4.548 3.468 ( 1.338 -3.800 0.472) 4.056 3.598 ( -1.073 -7.619 -6.034) 9.778 3.663 ( 0.462 -2.235 0.936) 2.467 3.863 ( -2.788 -0.626 -7.131) 7.682 4.122 ( 1.947 7.155 -10.351) 12.733 4.163 ( 1.769 3.990 0.421) 4.384 4.312 ( -3.190 5.474 -1.923) 6.621 4.413 ( 9.118 4.437 11.874) 15.615 4.518 ( 0.204 2.305 5.051) 5.556 4.676 ( -0.735 5.084 7.948) 9.463 4.925 ( -4.687 -0.043 -5.588) 7.293 5.036 ( -0.325 3.255 9.828) 10.358 5.449 ( -4.904 -4.800 -0.010) 6.862 5.661 ( -1.544 6.419 -3.057) 7.275 5.797 ( 8.156 -5.705 -1.069) 10.011 5.925 ( -3.469 -4.138 6.008) 8.078 6.125 ( 1.745 -5.099 -2.695) 6.026 6.308 ( 2.554 1.734 -0.508) 3.129 6.674 ( -6.454 2.925 -14.751) 16.365 7.316 ( 1.798 -2.365 1.344) 3.260 7.421 ( -2.951 0.646 -3.573) 4.679 7.587 ( -6.607 5.337 5.235) 9.977 7.748 ( 10.254 0.218 1.353) 10.345 7.934 ( 8.184 5.522 -2.859) 10.278 8.017 ( -7.266 3.563 -2.488) 8.466 9.092 ( -0.585 4.936 5.762) 7.609 9.393 ( -2.616 0.919 -6.076) 6.679 9.643 ( 1.116 0.174 1.711) 2.050 9.754 ( -0.935 7.218 -3.890) 8.253 10.352 ( 4.043 2.218 1.950) 5.007 10.518 ( -1.220 3.452 -5.113) 6.289 10.949 ( -0.680 -5.743 7.207) 9.240 11.229 ( 2.668 -2.486 -5.351) 6.476 11.412 ( -3.478 -3.387 5.990) 7.710 11.656 ( -0.969 -3.381 -4.741) 5.903 11.965 ( 0.694 3.750 11.799) 12.400 12.438 ( 0.437 3.767 -9.987) 10.683 12.789 ( 0.408 -5.589 7.469) 9.338 13.065 ( -1.048 -1.841 -6.505) 6.841 16.950 ( 8.158 -12.935 0.663) 15.307 17.066 ( -5.427 -12.756 -1.584) 13.953 17.151 ( -2.017 -11.773 0.856) 11.976 17.334 ( -1.914 -10.393 -10.962) 15.226 17.906 ( 0.111 9.171 2.356) 9.470 17.997 ( 0.959 12.115 -1.714) 12.273 18.254 ( 6.002 8.395 1.037) 10.372 18.291 ( -6.836 7.443 -0.431) 10.115 20.982 ( 2.232 3.581 2.014) 4.676 20.995 ( -0.950 0.835 -1.305) 1.818 21.664 ( 0.421 0.359 7.705) 7.725 21.937 ( -0.457 1.031 -2.703) 2.929 ======================= Grid point 210 (98/170) ======================= q-point: ( 0.09 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 8.174 7.932 22.518) 25.235 1.857 ( 6.909 10.449 21.825) 25.164 2.050 ( 3.522 6.799 -16.942) 18.592 2.201 ( 2.984 9.848 -18.519) 21.186 2.991 ( 0.852 4.779 15.812) 16.540 3.053 ( -1.141 -2.504 0.957) 2.913 3.083 ( -5.583 -7.276 2.754) 9.576 3.188 ( -5.073 -4.035 -1.702) 6.701 3.429 ( 2.147 -6.147 -2.073) 6.833 3.496 ( 5.766 -2.336 7.594) 9.816 3.545 ( 3.987 -1.123 5.583) 6.952 3.685 ( 3.699 -3.960 -0.830) 5.482 3.790 ( 1.266 2.371 -1.141) 2.920 4.004 ( 6.872 9.279 -19.635) 22.778 4.074 ( -15.870 4.009 -3.632) 16.766 4.187 ( -5.696 7.703 2.811) 9.984 4.512 ( -2.187 6.020 -1.914) 6.685 4.702 ( 10.158 4.526 2.746) 11.455 4.772 ( 2.534 1.137 7.434) 7.936 4.880 ( 3.978 2.558 -0.377) 4.745 5.130 ( -5.795 -0.335 11.755) 13.110 5.346 ( -2.167 -0.051 -5.528) 5.938 5.535 ( -6.095 5.920 0.081) 8.497 5.806 ( -7.806 -12.279 0.509) 14.559 6.041 ( 5.216 -1.689 5.038) 7.445 6.122 ( 1.228 -3.052 -3.412) 4.739 6.432 ( 6.960 -1.495 7.747) 10.521 6.441 ( 0.586 5.145 -15.753) 16.582 7.301 ( -5.064 -3.038 -0.864) 5.968 7.379 ( 1.145 0.560 0.105) 1.279 7.513 ( -8.246 7.517 3.874) 11.811 7.830 ( -10.207 4.309 -4.511) 11.963 7.932 ( 12.606 1.110 -2.979) 13.001 8.066 ( 9.151 4.159 0.984) 10.100 9.210 ( 4.991 2.292 8.273) 9.930 9.310 ( 1.411 3.305 -5.432) 6.513 9.666 ( -0.879 4.029 0.680) 4.180 9.729 ( 2.227 1.822 -1.705) 3.345 10.396 ( -1.912 2.250 0.572) 3.007 10.432 ( -1.293 2.896 -2.814) 4.240 10.973 ( -5.383 -5.224 6.119) 9.680 11.111 ( -7.091 -3.287 -6.691) 10.289 11.439 ( -4.394 -3.394 7.049) 8.973 11.579 ( -2.300 -3.337 -4.167) 5.813 12.146 ( 5.675 4.613 11.232) 13.403 12.377 ( 6.602 4.136 -11.256) 13.689 12.938 ( 7.386 -4.249 5.236) 10.001 13.013 ( 3.300 -3.309 -5.327) 7.086 16.785 ( -15.353 -12.584 -2.648) 20.027 16.932 ( -17.002 -12.051 -0.902) 20.859 17.163 ( 3.946 -4.959 0.249) 6.342 17.304 ( -2.632 0.750 -2.014) 3.398 17.805 ( -4.570 2.625 -0.037) 5.271 18.073 ( 2.349 3.948 -0.275) 4.602 18.221 ( 6.678 4.913 0.430) 8.302 18.440 ( 9.555 8.232 1.560) 12.708 20.999 ( 2.783 2.481 -0.705) 3.794 21.054 ( 5.533 1.162 -1.037) 5.748 21.761 ( 0.116 0.481 8.736) 8.750 21.880 ( -0.987 0.888 -5.400) 5.560 ======================= Grid point 211 (99/170) ======================= q-point: ( 0.18 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 6.878 9.000 -12.827) 17.112 2.000 ( 7.076 10.296 -3.793) 13.056 2.113 ( 10.026 2.866 4.902) 11.522 2.239 ( 8.543 4.475 16.138) 18.800 2.931 ( -12.072 -1.517 2.736) 12.471 3.047 ( -6.644 1.093 2.659) 7.239 3.060 ( 1.881 -4.925 -2.661) 5.906 3.157 ( 1.435 -8.390 -0.621) 8.534 3.279 ( -6.821 -6.897 -8.538) 12.923 3.522 ( -7.192 -0.898 -5.719) 9.232 3.619 ( 2.615 -7.324 1.645) 7.949 3.753 ( -5.703 0.467 -3.741) 6.837 3.858 ( 5.025 -1.107 3.438) 6.189 3.948 ( 6.420 5.484 -7.482) 11.282 4.103 ( 15.488 7.563 8.866) 19.383 4.148 ( 2.763 10.261 1.024) 10.675 4.432 ( -1.891 5.389 -4.368) 7.190 4.739 ( 0.283 3.113 -11.286) 11.711 4.801 ( -4.617 3.344 4.853) 7.486 4.988 ( 7.282 5.308 1.589) 9.150 5.145 ( -0.406 0.386 -1.339) 1.451 5.312 ( -0.498 4.084 6.808) 7.955 5.536 ( -1.912 -2.579 3.043) 4.423 5.671 ( -4.354 -3.567 0.246) 5.634 6.056 ( -3.138 -0.199 -0.165) 3.148 6.126 ( -2.797 3.799 1.263) 4.884 6.322 ( 3.686 -2.429 -11.736) 12.539 6.626 ( -0.148 -9.395 11.046) 14.501 7.203 ( -5.077 -3.986 -1.121) 6.551 7.399 ( -1.470 5.974 1.828) 6.418 7.441 ( -5.242 7.027 4.585) 9.893 7.625 ( -9.329 5.015 -2.763) 10.946 8.075 ( 12.882 3.073 -7.303) 15.124 8.228 ( 9.337 2.591 1.474) 9.801 9.321 ( 5.155 2.417 -3.271) 6.566 9.356 ( 2.481 1.445 3.315) 4.385 9.698 ( 5.243 2.888 2.947) 6.672 9.754 ( 1.621 1.511 0.091) 2.218 10.346 ( 1.865 0.375 -3.598) 4.070 10.431 ( -1.796 3.518 3.508) 5.283 10.891 ( -10.194 -4.070 -5.087) 12.098 10.930 ( -7.059 -2.741 1.390) 7.699 11.407 ( -8.035 -2.392 5.678) 10.126 11.484 ( -4.539 -2.901 -3.453) 6.399 12.372 ( 8.692 3.931 -1.242) 9.620 12.391 ( 8.698 4.725 0.870) 9.936 13.059 ( 7.188 -5.445 -1.257) 9.105 13.096 ( 6.170 -3.557 2.908) 7.693 16.537 ( -11.732 -7.528 -1.141) 13.987 16.686 ( -14.753 -7.390 1.772) 16.595 17.044 ( -15.007 14.194 -1.335) 20.699 17.172 ( -15.392 9.402 5.120) 18.749 17.852 ( 9.517 -11.728 -0.226) 15.105 18.176 ( 10.185 -8.484 0.195) 13.258 18.348 ( 7.707 4.203 -1.492) 8.905 18.569 ( 5.104 5.453 -0.020) 7.469 21.059 ( 4.792 1.962 0.001) 5.178 21.125 ( 5.793 1.113 -1.435) 6.070 21.791 ( -0.927 -0.361 -7.294) 7.361 21.849 ( -0.335 -0.618 6.432) 6.470 ======================= Grid point 212 (100/170) ======================= q-point: ( 0.27 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 10.850 6.907 -13.541) 18.676 2.038 ( 12.453 10.167 -9.015) 18.431 2.338 ( -0.061 1.183 10.780) 10.844 2.507 ( 2.723 0.636 10.446) 10.814 2.815 ( -8.563 -1.055 2.195) 8.903 2.930 ( -6.052 2.661 7.436) 9.950 2.976 ( -5.997 -11.115 -11.590) 17.142 3.078 ( -0.338 -3.245 1.738) 3.697 3.264 ( 0.035 -2.656 -0.954) 2.822 3.320 ( -5.576 1.636 -2.519) 6.334 3.573 ( -10.098 -0.884 -3.189) 10.627 3.731 ( -1.661 -3.438 6.895) 7.882 3.967 ( 10.520 2.689 -10.185) 14.887 4.004 ( 13.045 -4.330 -2.039) 13.895 4.148 ( 2.907 -3.140 -6.743) 7.987 4.272 ( 8.238 9.457 -10.403) 16.295 4.469 ( 3.219 0.707 -7.400) 8.101 4.711 ( 4.047 5.773 6.057) 9.295 4.781 ( 3.841 4.718 -2.057) 6.423 5.071 ( 5.506 3.666 -8.347) 10.650 5.145 ( 2.920 6.098 0.326) 6.769 5.391 ( 0.131 -0.553 9.158) 9.176 5.501 ( -3.606 2.147 5.327) 6.782 5.720 ( 0.723 -1.892 5.597) 5.952 5.984 ( -6.772 -0.139 -3.862) 7.797 6.046 ( -4.258 2.180 0.054) 4.784 6.251 ( -2.574 -1.301 -3.598) 4.611 6.617 ( -11.437 -10.624 5.212) 16.457 7.124 ( -4.417 -2.396 -0.080) 5.026 7.348 ( -4.954 9.864 0.922) 11.076 7.463 ( -0.528 1.797 3.583) 4.043 7.521 ( -5.719 8.231 6.423) 11.904 8.179 ( 12.126 3.822 -9.585) 15.922 8.383 ( 9.034 2.230 -0.354) 9.311 9.305 ( -2.638 -0.369 -1.663) 3.140 9.447 ( 9.048 1.628 -1.168) 9.267 9.751 ( 2.029 1.089 -3.005) 3.786 9.904 ( 9.317 0.934 7.349) 11.903 10.385 ( 4.819 -0.768 -1.509) 5.108 10.450 ( 0.419 1.627 1.825) 2.480 10.662 ( -10.154 -2.439 -4.945) 11.555 10.818 ( -8.640 -0.751 -0.305) 8.678 11.338 ( -8.041 -1.716 5.592) 9.943 11.371 ( -4.985 -2.027 -2.720) 6.030 12.402 ( 8.631 4.325 -9.166) 13.312 12.633 ( 7.900 3.417 10.281) 13.409 13.170 ( 4.924 -4.670 -0.029) 6.786 13.195 ( 4.280 -4.695 2.407) 6.793 16.420 ( -7.074 -0.664 5.105) 8.749 16.517 ( -9.436 -0.838 4.079) 10.314 16.773 ( -16.546 17.135 -0.557) 23.826 16.979 ( -18.098 10.790 9.753) 23.218 18.028 ( 11.953 -13.328 -0.538) 17.911 18.339 ( 9.433 -8.718 -0.242) 12.846 18.414 ( 4.970 1.841 -4.291) 6.819 18.585 ( 0.867 1.882 -5.817) 6.175 21.128 ( 4.346 -0.730 -0.403) 4.426 21.227 ( 6.159 2.715 2.768) 7.278 21.693 ( -0.017 -1.859 -8.576) 8.775 21.885 ( -1.604 -2.457 2.615) 3.930 ======================= Grid point 213 (101/170) ======================= q-point: ( 0.36 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 12.756 1.827 -8.209) 15.279 2.182 ( 11.085 6.768 -3.622) 13.483 2.280 ( -9.288 3.246 2.059) 10.052 2.565 ( -4.307 2.496 7.604) 9.089 2.740 ( -4.150 -4.763 -6.409) 8.999 2.814 ( 1.155 -0.651 -1.664) 2.128 3.023 ( -4.012 -2.062 8.749) 9.843 3.107 ( 0.700 -3.419 -0.882) 3.600 3.153 ( -9.751 1.973 1.045) 10.004 3.243 ( -2.507 1.707 3.055) 4.305 3.455 ( -1.993 -2.239 0.996) 3.159 3.752 ( -4.890 -4.606 3.436) 7.546 3.982 ( 3.143 3.865 -15.679) 16.452 4.029 ( 5.528 2.656 -9.344) 11.177 4.233 ( 10.674 -10.265 -2.687) 15.050 4.362 ( 17.434 -3.904 -9.933) 20.442 4.486 ( 12.499 4.201 -4.081) 13.804 4.673 ( -0.397 -0.166 -4.877) 4.896 4.944 ( 7.544 1.864 -1.501) 7.915 5.051 ( 3.340 6.635 -1.808) 7.645 5.206 ( 0.191 6.080 3.277) 6.909 5.477 ( -6.806 4.009 7.025) 10.570 5.560 ( 4.943 -2.187 2.662) 6.025 5.733 ( -7.659 -2.625 -4.826) 9.425 5.817 ( -3.091 -3.993 7.891) 9.368 5.966 ( -6.193 1.802 -3.332) 7.260 6.189 ( -2.192 5.355 0.074) 5.787 6.434 ( -14.211 -4.817 -0.003) 15.005 7.083 ( -1.145 0.133 2.588) 2.833 7.299 ( -2.820 6.511 1.514) 7.255 7.487 ( -0.990 1.561 4.524) 4.887 7.548 ( -4.417 9.683 10.289) 14.804 8.244 ( 10.301 3.912 -10.641) 15.318 8.470 ( 4.141 1.674 -4.022) 6.011 9.273 ( 0.082 -1.162 0.501) 1.268 9.568 ( 5.739 -1.515 -1.101) 6.037 9.764 ( 5.415 -0.373 -3.029) 6.216 10.122 ( 9.995 0.546 4.086) 10.812 10.355 ( -8.634 -5.101 -4.528) 11.003 10.438 ( 0.851 1.889 0.182) 2.080 10.584 ( 3.158 2.119 -0.308) 3.815 10.660 ( -9.312 0.790 -1.911) 9.539 11.273 ( -7.174 -1.479 3.699) 8.205 11.286 ( -3.571 -1.041 -0.243) 3.728 12.470 ( 9.977 3.144 -4.261) 11.295 12.831 ( 2.646 2.329 8.979) 9.646 13.189 ( 1.012 -2.515 -2.032) 3.388 13.289 ( 2.784 -4.622 2.415) 5.912 16.343 ( -6.247 6.198 1.604) 8.945 16.520 ( -8.845 16.184 3.058) 18.695 16.570 ( -4.949 3.807 11.733) 13.291 16.845 ( -15.359 7.933 13.947) 22.211 18.180 ( 8.629 -8.646 -2.704) 12.511 18.422 ( 5.460 -3.527 -6.600) 9.263 18.435 ( 2.074 -1.794 -4.978) 5.684 18.492 ( 0.629 -2.290 -7.244) 7.624 21.201 ( 4.694 -2.666 0.995) 5.489 21.353 ( 3.028 0.912 5.182) 6.071 21.618 ( 3.010 -2.729 -8.126) 9.086 21.857 ( -3.285 -3.366 -0.523) 4.732 ======================= Grid point 214 (102/170) ======================= q-point: ( 0.45 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -6.180 0.641 4.008) 7.394 2.171 ( 8.424 -0.542 -0.192) 8.444 2.393 ( 10.540 6.007 -4.496) 12.938 2.522 ( -2.141 -2.050 -10.149) 10.573 2.615 ( -6.173 3.729 9.096) 11.608 2.864 ( -2.674 -0.021 1.456) 3.045 2.925 ( -5.628 2.548 0.828) 6.233 3.044 ( 1.581 3.335 -3.326) 4.968 3.128 ( -0.263 -6.478 6.356) 9.079 3.325 ( 0.067 -4.780 -1.483) 5.006 3.465 ( 2.191 0.210 3.461) 4.102 3.605 ( -7.487 0.892 -8.572) 11.416 3.907 ( 4.359 -1.679 -7.824) 9.112 3.967 ( 1.900 -2.535 -12.012) 12.423 4.343 ( 7.094 -2.334 -0.361) 7.476 4.456 ( 1.318 -4.702 -3.804) 6.190 4.682 ( 8.832 1.563 0.936) 9.018 4.801 ( 24.055 -8.715 -4.546) 25.986 4.930 ( -13.126 6.761 0.642) 14.779 5.091 ( 8.001 8.852 1.432) 12.018 5.287 ( 0.796 -1.572 1.770) 2.498 5.335 ( -13.164 -3.560 -1.397) 13.709 5.449 ( -7.732 -1.024 1.677) 7.978 5.707 ( 1.212 -7.184 -0.141) 7.287 5.778 ( -7.997 6.857 -2.121) 10.745 6.002 ( 10.644 2.265 3.327) 11.379 6.133 ( -5.431 2.590 -4.411) 7.460 6.224 ( -9.070 5.003 1.060) 10.412 7.154 ( 3.427 0.577 4.978) 6.071 7.283 ( -1.049 5.034 0.934) 5.226 7.542 ( -2.385 3.541 9.794) 10.684 7.598 ( -2.004 8.035 9.051) 12.267 8.269 ( 7.917 3.625 -10.670) 13.772 8.410 ( -2.383 0.620 -9.021) 9.351 9.315 ( 2.528 -1.560 2.797) 4.080 9.567 ( -1.270 -2.245 -3.637) 4.459 9.868 ( 8.174 -4.105 -0.107) 9.147 10.139 ( -9.382 -2.109 -4.486) 10.612 10.323 ( 7.984 -1.508 2.941) 8.641 10.441 ( -2.208 1.018 0.364) 2.459 10.520 ( -3.719 3.715 -1.872) 5.580 10.627 ( 3.002 3.555 -2.036) 5.079 11.195 ( -8.059 -1.242 4.079) 9.118 11.257 ( 1.425 -0.549 -1.373) 2.053 12.620 ( 10.810 0.904 1.034) 10.897 12.864 ( -7.522 0.397 3.306) 8.226 13.211 ( 3.675 -0.671 0.358) 3.753 13.323 ( -0.994 -2.066 0.992) 2.498 16.301 ( -0.287 11.602 0.711) 11.627 16.378 ( -6.650 14.842 -0.149) 16.264 16.754 ( 1.837 4.924 18.272) 19.012 16.805 ( -10.564 5.287 15.983) 19.875 18.210 ( 3.177 -3.051 -8.802) 9.843 18.293 ( -0.413 0.473 -14.531) 14.544 18.456 ( 4.803 -4.915 -2.348) 7.262 18.486 ( -0.497 -4.758 -1.010) 4.889 21.290 ( 4.749 -5.060 1.166) 7.036 21.392 ( -2.689 -3.989 1.325) 4.990 21.642 ( 7.300 -1.058 -2.553) 7.806 21.777 ( -5.387 -2.400 -1.565) 6.102 ======================= Grid point 215 (103/170) ======================= q-point: (-0.45 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -11.552 3.153 5.539) 13.194 2.242 ( -13.494 -2.428 -6.664) 15.244 2.339 ( 9.891 -2.166 1.084) 10.183 2.488 ( 2.773 3.786 -7.078) 8.492 2.642 ( -3.450 4.836 9.026) 10.806 2.869 ( 5.554 1.468 2.447) 6.244 2.992 ( 7.033 2.136 3.725) 8.240 3.046 ( 6.521 1.978 -8.948) 11.248 3.209 ( 0.356 -5.554 5.277) 7.669 3.267 ( 0.044 -2.482 -3.378) 4.193 3.415 ( -1.877 0.225 -6.030) 6.319 3.547 ( 5.251 0.150 -5.528) 7.626 3.860 ( -2.413 -7.454 -5.788) 9.741 3.908 ( 4.087 -2.979 -4.831) 6.994 4.369 ( -7.739 -8.137 -2.803) 11.574 4.428 ( 3.007 3.818 0.590) 4.896 4.567 ( -26.990 1.697 0.599) 27.050 4.869 ( 9.324 6.369 3.100) 11.710 4.906 ( -18.193 0.405 -4.003) 18.633 5.152 ( 9.567 -10.375 3.542) 14.550 5.274 ( 0.142 2.078 1.282) 2.446 5.371 ( 5.758 5.710 4.533) 9.290 5.493 ( 7.707 -1.008 -0.549) 7.792 5.603 ( 1.942 0.706 -8.939) 9.174 5.770 ( -1.639 -3.106 6.567) 7.447 5.950 ( -5.720 2.577 -3.033) 6.968 6.120 ( -2.252 7.144 0.307) 7.497 6.257 ( 12.286 1.578 -1.257) 12.451 7.214 ( -2.321 1.821 2.200) 3.680 7.306 ( 3.735 2.657 -0.364) 4.598 7.587 ( -6.302 7.711 10.384) 14.388 7.729 ( 4.957 4.053 9.877) 11.771 8.224 ( -5.508 0.041 -10.556) 11.907 8.265 ( 4.968 2.840 -9.286) 10.908 9.399 ( 2.898 -1.044 3.911) 4.978 9.482 ( -3.089 -2.693 -4.754) 6.277 9.928 ( -10.809 -2.243 -1.398) 11.127 9.981 ( 2.016 -5.421 1.581) 5.996 10.356 ( -4.311 0.030 1.106) 4.451 10.455 ( 4.084 0.771 -2.402) 4.800 10.520 ( 3.052 5.754 -1.356) 6.653 10.646 ( 3.826 3.456 -1.446) 5.355 11.137 ( -3.994 -0.637 3.930) 5.640 11.301 ( 5.550 -1.062 -0.905) 5.723 12.695 ( -12.441 -0.568 -0.624) 12.470 12.822 ( 9.242 -0.590 3.203) 9.799 13.270 ( -2.032 -0.410 0.723) 2.195 13.289 ( -0.353 -0.217 0.715) 0.826 16.322 ( -0.117 11.673 -0.048) 11.673 16.357 ( 6.378 14.759 0.682) 16.093 16.853 ( -5.220 3.244 15.589) 16.757 17.015 ( 7.399 6.340 15.176) 18.034 18.103 ( -0.975 -1.219 -11.266) 11.374 18.161 ( 1.096 0.807 -11.366) 11.447 18.421 ( -5.919 -6.909 -0.574) 9.115 18.502 ( 2.052 -3.055 -1.277) 3.895 21.332 ( -3.945 -6.754 -1.435) 7.953 21.368 ( 4.153 -6.517 -0.075) 7.728 21.657 ( -7.852 0.374 -1.137) 7.943 21.746 ( 6.169 -0.959 0.597) 6.272 ======================= Grid point 216 (104/170) ======================= q-point: (-0.36 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -21.604 5.236 2.812) 22.407 1.918 ( -20.126 0.178 -2.813) 20.323 2.484 ( 6.688 0.384 0.852) 6.753 2.519 ( 10.726 0.907 -3.070) 11.193 2.692 ( -1.244 3.221 6.328) 7.209 2.953 ( 1.386 1.895 -0.087) 2.349 3.021 ( 2.403 2.653 -9.841) 10.471 3.206 ( 10.174 2.789 -0.262) 10.553 3.252 ( 4.667 -3.660 4.188) 7.260 3.315 ( 5.872 -1.773 1.240) 6.258 3.400 ( 1.030 -2.397 2.256) 3.449 3.538 ( 4.725 2.456 -8.066) 9.665 3.738 ( -8.716 -4.078 -4.125) 10.469 3.914 ( 0.187 -3.983 -1.155) 4.151 4.115 ( -19.790 -9.226 -1.007) 21.858 4.201 ( -15.976 -4.917 1.894) 16.822 4.432 ( -2.037 5.517 -1.306) 6.025 4.695 ( -3.337 4.148 -0.464) 5.344 4.926 ( -6.382 7.613 -1.930) 10.120 5.146 ( -7.809 2.142 1.141) 8.177 5.320 ( 0.506 5.199 -3.470) 6.271 5.447 ( 3.254 -4.806 3.229) 6.642 5.536 ( -0.529 -1.406 3.551) 3.856 5.713 ( 11.571 3.378 2.549) 12.320 5.905 ( 10.461 1.107 -2.939) 10.922 5.952 ( 4.981 -2.914 7.986) 9.853 6.068 ( -2.006 4.510 -2.161) 5.389 6.427 ( 11.790 -3.112 -3.797) 12.771 7.173 ( -3.000 2.593 -0.296) 3.976 7.352 ( 2.827 0.061 -0.967) 2.988 7.583 ( -5.254 7.914 5.871) 11.168 7.904 ( 4.961 5.689 3.900) 8.496 8.032 ( -5.524 0.482 -5.998) 8.168 8.247 ( 1.623 1.327 -3.609) 4.173 9.383 ( -2.573 -2.891 -4.284) 5.773 9.466 ( -1.156 -0.615 3.203) 3.460 9.724 ( -11.010 -0.941 -0.579) 11.065 10.017 ( -2.113 -2.180 3.545) 4.667 10.316 ( -4.665 -0.039 4.151) 6.244 10.466 ( 2.632 0.091 -4.214) 4.969 10.535 ( 4.009 6.341 -3.134) 8.131 10.735 ( 7.635 1.058 -0.985) 7.771 11.165 ( 1.871 -0.265 3.760) 4.208 11.398 ( 7.210 -1.599 -0.396) 7.395 12.455 ( -14.910 0.358 -2.141) 15.067 12.996 ( 6.607 -2.224 4.322) 8.202 13.161 ( -7.374 1.638 -3.024) 8.136 13.316 ( -0.924 -3.378 1.624) 3.860 16.372 ( 6.481 7.788 0.012) 10.132 16.515 ( 12.623 16.730 0.694) 20.969 16.967 ( 0.595 1.801 10.368) 10.540 17.308 ( 14.021 6.988 6.419) 16.930 17.983 ( -2.791 0.256 -4.108) 4.973 18.057 ( -0.818 0.013 -7.317) 7.362 18.291 ( -9.535 -9.999 -0.501) 13.826 18.483 ( -3.154 -2.101 -0.870) 3.888 21.241 ( -5.041 -6.907 -1.996) 8.781 21.419 ( 2.335 -5.626 -0.617) 6.122 21.511 ( -8.881 2.937 -0.573) 9.372 21.835 ( 4.175 -1.412 0.667) 4.458 ======================= Grid point 217 (105/170) ======================= q-point: (-0.27 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -24.573 6.990 6.435) 26.346 1.587 ( -23.365 7.383 6.686) 25.399 2.609 ( 2.006 3.296 3.761) 5.388 2.683 ( 13.313 -0.779 -6.099) 14.664 2.734 ( 0.876 4.743 4.860) 6.847 2.862 ( -12.538 5.413 -3.833) 14.185 2.962 ( -0.378 1.626 2.549) 3.047 3.177 ( -15.097 -3.129 -0.582) 15.429 3.263 ( 1.597 1.516 0.495) 2.257 3.399 ( 1.416 -1.344 -6.562) 6.846 3.493 ( 6.388 0.816 -0.022) 6.440 3.588 ( 5.158 -0.271 -1.740) 5.451 3.643 ( 5.476 1.826 5.643) 8.072 3.900 ( -2.800 -7.498 2.159) 8.289 3.930 ( -3.885 -8.143 2.935) 9.488 4.090 ( -0.306 -5.138 0.008) 5.147 4.401 ( -0.078 5.196 0.154) 5.199 4.677 ( -4.243 -0.881 -6.395) 7.725 4.757 ( -2.566 5.891 1.417) 6.580 4.982 ( -10.001 6.303 -2.945) 12.183 5.199 ( -13.392 8.675 0.931) 15.983 5.482 ( 2.392 4.500 0.438) 5.115 5.700 ( 8.267 -4.269 3.508) 9.944 5.907 ( 11.327 1.491 -1.641) 11.542 5.931 ( -3.334 1.671 -0.136) 3.731 6.058 ( 2.121 3.805 1.726) 4.686 6.162 ( 8.316 -0.916 2.537) 8.743 6.559 ( 10.018 -13.162 -0.204) 16.542 7.148 ( 0.993 1.608 -0.344) 1.921 7.380 ( 2.178 -0.413 -0.677) 2.318 7.566 ( -2.203 7.874 2.218) 8.472 7.864 ( -5.172 1.029 -3.657) 6.418 7.995 ( 3.529 8.930 -5.270) 10.953 8.228 ( -5.097 -0.435 3.840) 6.396 9.311 ( -3.931 -3.289 -2.054) 5.521 9.384 ( -8.065 0.110 1.029) 8.131 9.650 ( -0.326 2.518 1.719) 3.066 9.996 ( -4.423 2.378 2.202) 5.483 10.286 ( -5.815 -0.551 4.814) 7.570 10.476 ( 3.831 -0.283 -2.518) 4.593 10.590 ( 6.439 3.755 -2.016) 7.722 10.852 ( 9.163 -0.749 -1.236) 9.277 11.262 ( 5.184 -0.257 2.984) 5.987 11.500 ( 6.340 -2.077 -0.978) 6.743 12.205 ( -14.358 1.601 -0.443) 14.454 12.983 ( -9.769 2.680 -4.057) 10.913 13.106 ( 1.674 -4.649 2.173) 5.397 13.289 ( -3.026 -6.833 -0.409) 7.484 16.519 ( 12.002 3.240 -0.169) 12.433 16.758 ( 17.202 17.721 0.159) 24.697 17.044 ( 3.321 0.595 -5.224) 6.219 17.546 ( 16.931 6.776 -10.014) 20.805 17.938 ( -4.540 -0.567 3.664) 5.861 18.024 ( -1.975 -1.529 9.776) 10.090 18.137 ( -9.351 -9.797 2.549) 13.782 18.382 ( -8.327 -2.957 -0.779) 8.870 21.132 ( -6.905 -3.517 -0.648) 7.776 21.329 ( -9.613 3.894 -0.927) 10.413 21.478 ( 2.354 -3.880 0.064) 4.539 21.892 ( 2.490 -1.436 0.295) 2.890 ======================= Grid point 218 (106/170) ======================= q-point: (-0.18 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -18.705 12.759 15.565) 27.476 1.377 ( -19.619 15.014 17.517) 30.285 2.376 ( -36.397 21.804 19.704) 46.780 2.650 ( -3.262 1.261 -7.182) 7.988 2.757 ( -1.587 -4.388 -3.465) 5.812 2.924 ( 7.232 -4.027 2.008) 8.517 3.007 ( -1.482 1.302 -2.974) 3.568 3.063 ( 11.138 0.863 3.956) 11.851 3.289 ( 0.661 1.605 -2.413) 2.972 3.361 ( 2.856 -3.530 -4.460) 6.365 3.543 ( 3.281 1.274 -0.069) 3.520 3.608 ( 4.208 0.469 -1.551) 4.509 3.874 ( 3.391 0.405 11.575) 12.068 3.933 ( -0.828 -8.030 9.820) 12.712 3.963 ( 5.648 -4.631 0.568) 7.325 4.131 ( 4.373 -6.464 -1.575) 7.962 4.372 ( -0.638 4.623 -6.898) 8.328 4.544 ( -5.705 3.526 5.791) 8.861 4.777 ( -11.045 9.158 -3.881) 14.863 4.874 ( 10.793 3.245 1.626) 11.387 5.012 ( -10.261 10.232 1.074) 14.530 5.492 ( -0.600 2.275 -0.705) 2.456 5.776 ( -0.737 2.673 -7.544) 8.037 5.831 ( -1.492 -1.728 -1.569) 2.771 6.021 ( -1.079 1.299 1.264) 2.110 6.121 ( 5.980 -1.134 -0.168) 6.089 6.239 ( 2.158 0.414 -0.733) 2.316 6.773 ( 10.454 -15.544 5.977) 19.663 7.193 ( 3.861 -0.657 0.666) 3.972 7.420 ( 3.314 1.901 0.610) 3.869 7.564 ( 0.142 6.517 -0.211) 6.522 7.744 ( -6.019 -0.162 -1.581) 6.225 7.955 ( 1.779 9.762 -9.161) 13.506 8.166 ( -7.734 0.867 4.790) 9.138 9.178 ( -9.575 2.017 2.437) 10.084 9.371 ( 3.247 -1.488 -0.172) 3.576 9.679 ( 1.055 3.242 0.852) 3.514 9.926 ( -4.646 6.578 -1.970) 8.290 10.241 ( -4.804 -0.747 3.437) 5.954 10.524 ( 4.403 1.762 -1.532) 4.984 10.696 ( 7.520 -0.367 1.371) 7.653 10.997 ( 10.176 -1.653 -0.389) 10.317 11.369 ( 4.323 -0.845 1.815) 4.764 11.571 ( 5.278 -2.412 -1.976) 6.130 12.019 ( -11.656 2.770 4.220) 12.702 12.774 ( -8.994 2.967 -6.398) 11.429 13.053 ( -10.979 -12.118 0.154) 16.353 13.235 ( -1.206 -3.861 -3.108) 5.101 16.724 ( 14.191 -1.892 -1.882) 14.440 16.934 ( 3.445 0.809 -16.326) 16.705 17.039 ( 15.177 12.640 -0.585) 19.760 17.628 ( 12.039 6.155 -14.518) 19.840 17.832 ( -9.718 -11.218 0.410) 14.848 18.107 ( -2.492 -3.204 8.022) 8.990 18.201 ( -5.382 1.500 5.260) 7.673 18.251 ( -2.018 -0.700 12.416) 12.598 21.022 ( -7.790 2.213 2.474) 8.468 21.175 ( -7.446 2.296 -2.139) 8.080 21.522 ( 1.951 -2.400 1.917) 3.639 21.926 ( 1.474 -0.770 0.606) 1.770 ======================= Grid point 219 (107/170) ======================= q-point: (-0.09 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -8.724 18.171 22.709) 30.364 1.334 ( -12.437 19.412 20.000) 30.520 2.244 ( -19.604 20.075 41.672) 50.238 2.465 ( -5.680 2.967 -11.878) 13.497 2.604 ( -4.709 2.423 -12.068) 13.179 3.001 ( 2.651 -3.499 1.574) 4.663 3.029 ( 0.797 -2.420 4.032) 4.769 3.234 ( 0.874 0.088 -5.802) 5.868 3.273 ( 7.722 -0.303 -2.889) 8.251 3.401 ( 3.623 -8.214 3.090) 9.495 3.621 ( 4.989 -1.746 -2.686) 5.929 3.650 ( 1.479 0.214 0.463) 1.565 3.946 ( 3.339 -1.601 -3.764) 5.280 4.010 ( 5.142 -4.791 -1.786) 7.251 4.158 ( 3.688 -4.667 11.449) 12.902 4.209 ( 1.002 -0.250 10.606) 10.656 4.336 ( 2.608 6.426 -2.201) 7.276 4.504 ( -5.048 8.510 -1.681) 10.037 4.629 ( -5.460 8.686 6.526) 12.159 4.937 ( -3.605 6.301 5.951) 9.386 5.041 ( 6.543 0.602 -3.280) 7.344 5.474 ( -0.502 -2.226 0.303) 2.302 5.632 ( -1.667 4.767 -3.989) 6.436 5.808 ( 0.970 0.399 -5.513) 5.612 5.962 ( -6.705 -2.118 3.361) 7.794 6.155 ( -1.296 -3.613 -1.332) 4.063 6.280 ( 4.846 0.509 -2.561) 5.505 6.875 ( -1.160 -8.142 -5.094) 9.674 7.261 ( 3.582 -2.604 0.639) 4.475 7.480 ( 1.000 6.713 -0.335) 6.795 7.561 ( 1.786 -0.687 0.542) 1.989 7.674 ( -2.541 1.364 1.902) 3.455 7.890 ( 2.961 8.144 -6.333) 10.733 8.112 ( -4.719 2.082 1.791) 5.460 9.095 ( -5.269 5.474 3.225) 8.254 9.434 ( 3.107 -1.976 -0.193) 3.687 9.661 ( -2.673 1.294 -1.994) 3.577 9.827 ( -2.421 9.330 -4.637) 10.696 10.256 ( 3.306 0.834 2.352) 4.142 10.556 ( 2.379 4.004 -3.239) 5.673 10.840 ( 5.567 -4.110 4.846) 8.448 11.149 ( 9.488 -1.975 -1.008) 9.744 11.419 ( -0.752 -2.272 1.838) 3.017 11.648 ( 6.760 -2.392 -1.908) 7.420 11.922 ( -9.567 2.792 8.530) 13.118 12.577 ( -5.316 3.327 -8.185) 10.311 12.836 ( -14.482 -10.875 3.572) 18.460 13.163 ( -2.214 -1.382 -5.314) 5.920 16.807 ( 8.866 -5.930 -7.834) 13.234 16.986 ( 13.428 -8.804 -1.534) 16.130 17.187 ( 0.952 -1.184 -0.084) 1.522 17.552 ( -3.656 -4.648 -11.924) 13.310 17.789 ( 4.835 2.042 0.464) 5.268 18.073 ( -4.245 3.960 -0.396) 5.819 18.160 ( -0.326 3.819 2.880) 4.795 18.391 ( -3.486 5.592 6.608) 9.332 20.961 ( -4.117 5.063 3.963) 7.635 21.057 ( -4.482 0.092 -2.015) 4.915 21.583 ( 1.136 -0.820 4.810) 5.010 21.950 ( 0.744 0.257 -0.040) 0.788 ======================= Grid point 220 (108/170) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -5.359 18.010 14.337) 23.635 1.834 ( -0.187 15.857 19.585) 25.201 2.309 ( -1.047 2.652 -13.038) 13.346 2.542 ( 0.738 8.218 -11.774) 14.377 2.880 ( -0.150 -4.034 1.655) 4.363 2.892 ( 3.015 -3.462 7.167) 8.511 3.060 ( -1.593 -0.136 2.227) 2.741 3.168 ( -3.374 -2.660 0.999) 4.411 3.266 ( 7.514 2.619 3.923) 8.872 3.377 ( 4.105 -4.615 2.080) 6.518 3.450 ( -1.180 -5.005 -2.723) 5.818 3.653 ( -1.779 4.811 2.931) 5.907 3.850 ( -0.506 -0.277 -2.324) 2.395 4.250 ( 3.555 5.154 8.471) 10.534 4.324 ( 2.845 11.301 5.378) 12.834 4.380 ( -0.200 1.336 7.501) 7.621 4.533 ( -5.128 9.479 -0.404) 10.785 4.629 ( 5.912 10.094 1.091) 11.748 4.850 ( -2.079 11.932 2.419) 12.351 4.961 ( -2.558 4.780 -4.839) 7.267 5.092 ( -2.301 2.352 5.744) 6.620 5.384 ( 0.265 -1.880 -4.179) 4.591 5.721 ( -1.885 -1.586 -0.637) 2.545 5.788 ( -1.377 5.347 -2.942) 6.256 5.835 ( 1.478 -4.948 6.033) 7.941 6.021 ( 0.080 -6.311 -2.619) 6.834 6.278 ( 1.455 -5.076 0.810) 5.342 6.661 ( -1.721 -4.467 -12.279) 13.179 7.268 ( 2.245 -2.396 0.797) 3.379 7.371 ( -4.678 -4.855 -3.606) 7.646 7.636 ( -0.216 -0.482 5.302) 5.328 7.814 ( 6.339 2.319 -1.184) 6.853 7.996 ( 0.291 6.226 2.450) 6.697 8.199 ( -1.356 12.104 -5.372) 13.312 9.194 ( -1.758 5.369 5.297) 7.744 9.410 ( -0.518 0.621 -1.960) 2.121 9.674 ( -0.004 3.825 3.499) 5.184 9.937 ( -0.724 11.391 -6.861) 13.317 10.414 ( 6.219 4.238 1.916) 7.766 10.606 ( -1.871 5.393 -5.972) 8.261 10.808 ( -2.863 -8.234 7.296) 11.368 11.161 ( 3.901 -4.791 -7.311) 9.573 11.321 ( -3.767 -6.065 4.687) 8.540 11.560 ( -1.333 -6.594 -5.024) 8.396 12.054 ( 0.952 5.410 12.931) 14.050 12.526 ( 0.475 4.827 -9.274) 10.466 12.688 ( 0.698 -4.439 9.136) 10.181 13.004 ( -1.102 -4.332 -6.863) 8.190 16.745 ( 6.862 -9.076 -3.073) 11.786 16.804 ( -5.981 -13.680 -1.560) 15.012 16.908 ( -4.205 -11.921 0.303) 12.644 17.121 ( -0.186 -11.117 -12.619) 16.819 18.063 ( 0.907 6.878 5.107) 8.614 18.177 ( 0.637 6.438 0.469) 6.487 18.419 ( 7.798 8.398 1.123) 11.515 18.446 ( -7.964 8.082 -0.053) 11.347 21.016 ( 1.245 1.706 -1.228) 2.443 21.070 ( 0.374 4.674 -1.693) 4.985 21.682 ( 0.338 1.761 9.446) 9.615 21.957 ( -0.234 0.779 -1.932) 2.096 ======================= Grid point 221 (109/170) ======================= q-point: ( 0.09 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 4.003 10.659 17.479) 20.861 2.062 ( 2.153 10.364 17.847) 20.750 2.183 ( 2.884 6.080 -11.398) 13.236 2.420 ( 2.812 12.054 -15.404) 19.761 2.871 ( -2.365 -11.027 1.318) 11.354 2.963 ( 1.033 -7.087 1.519) 7.321 3.008 ( -1.661 -10.264 -6.372) 12.195 3.112 ( -1.731 0.872 -0.586) 2.025 3.327 ( -3.254 -5.798 -2.296) 7.035 3.399 ( 0.127 -4.336 0.726) 4.399 3.584 ( -3.608 0.143 -4.046) 5.422 3.653 ( 8.135 1.517 9.681) 12.736 3.946 ( 5.895 16.827 16.010) 23.962 4.148 ( -17.504 4.538 -0.649) 18.094 4.240 ( -2.746 12.990 -9.390) 16.262 4.400 ( 1.260 14.809 0.403) 14.868 4.627 ( 2.513 4.786 -2.257) 5.858 4.758 ( 8.556 2.269 1.097) 8.919 4.851 ( 0.350 6.268 5.501) 8.347 4.984 ( 6.284 9.470 0.973) 11.407 5.098 ( -6.142 -2.280 7.016) 9.600 5.356 ( 1.628 -0.136 -4.759) 5.031 5.634 ( -7.471 -0.440 1.730) 7.682 5.693 ( -4.893 5.284 -1.297) 7.317 5.990 ( 6.311 -3.715 4.254) 8.469 6.040 ( 5.542 -5.630 -2.490) 8.283 6.328 ( -1.487 -8.847 7.849) 11.920 6.465 ( -3.180 -3.521 -14.821) 15.562 7.223 ( -5.803 -4.228 -0.890) 7.235 7.362 ( 3.277 -2.205 0.919) 4.055 7.650 ( -2.330 4.942 2.244) 5.906 7.874 ( 1.136 -0.431 -5.431) 5.566 8.039 ( 3.002 9.546 2.721) 10.370 8.174 ( 6.016 7.352 -2.599) 9.848 9.269 ( 2.384 3.652 7.269) 8.477 9.382 ( 1.535 3.682 -3.258) 5.151 9.735 ( 0.089 4.400 5.623) 7.140 9.854 ( 0.283 10.771 -7.002) 12.850 10.466 ( -3.292 5.028 -3.603) 7.007 10.505 ( -1.071 4.674 0.776) 4.858 10.837 ( -3.775 -8.830 7.049) 11.912 11.034 ( -6.305 -4.614 -8.714) 11.704 11.347 ( -3.417 -6.129 7.169) 10.032 11.482 ( -1.837 -6.819 -4.374) 8.307 12.250 ( 5.990 5.770 11.400) 14.112 12.472 ( 6.749 5.391 -10.817) 13.842 12.838 ( 5.458 -5.783 6.642) 10.360 12.937 ( 2.649 -4.193 -6.035) 7.812 16.591 ( -10.132 -7.723 -2.977) 13.083 16.735 ( -11.726 -8.186 -0.756) 14.320 16.957 ( 13.993 -13.352 0.937) 19.364 17.182 ( 11.496 -11.768 -3.141) 16.748 17.959 ( -12.419 10.560 0.319) 16.305 18.190 ( -10.715 8.540 -0.569) 13.713 18.325 ( 4.044 4.327 0.922) 5.994 18.569 ( 6.029 5.292 1.821) 8.227 21.055 ( 4.322 2.849 -0.204) 5.181 21.080 ( 4.045 1.672 -3.135) 5.384 21.777 ( -1.566 1.204 9.013) 9.227 21.899 ( -2.314 0.922 -4.717) 5.334 ======================= Grid point 222 (110/170) ======================= q-point: ( 0.18 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 7.868 8.782 -0.633) 11.808 2.173 ( 6.324 6.477 8.686) 12.545 2.235 ( 2.682 10.347 -4.353) 11.541 2.335 ( 3.548 6.095 2.577) 7.509 2.823 ( -6.198 -9.188 2.920) 11.461 2.913 ( -1.655 -10.100 -6.167) 11.949 2.975 ( -2.209 -5.784 2.300) 6.605 3.086 ( -1.536 -0.168 0.750) 1.717 3.196 ( -7.235 -3.718 -4.537) 9.314 3.458 ( 3.364 -6.233 -0.791) 7.127 3.478 ( 0.381 -4.839 -4.959) 6.939 3.732 ( -6.053 -4.388 0.700) 7.508 3.883 ( -4.746 6.619 1.352) 8.256 4.058 ( -7.995 7.231 -3.471) 11.325 4.342 ( 8.334 15.745 -2.932) 18.054 4.426 ( 10.264 17.161 3.352) 20.276 4.564 ( -1.134 8.391 -5.173) 9.923 4.805 ( 1.191 2.896 -5.651) 6.461 4.900 ( -2.393 6.245 3.877) 7.730 5.089 ( 4.333 4.264 1.494) 6.260 5.180 ( 5.292 3.721 5.626) 8.573 5.276 ( -2.346 -5.256 -3.329) 6.649 5.574 ( -3.995 5.437 3.919) 7.802 5.670 ( -0.257 2.696 2.680) 3.810 6.033 ( -0.463 -2.909 -0.894) 3.078 6.152 ( 3.873 -1.198 3.493) 5.351 6.241 ( -3.868 -6.203 -13.945) 15.745 6.383 ( -5.247 -15.219 9.732) 18.811 7.139 ( -3.684 -2.325 -0.289) 4.366 7.425 ( 1.811 -1.391 2.630) 3.484 7.632 ( -2.646 10.116 0.809) 10.488 7.773 ( -4.899 8.850 -1.498) 10.226 8.148 ( 10.134 4.593 -4.035) 11.835 8.292 ( 8.841 3.709 0.611) 9.606 9.370 ( 0.445 2.421 -0.706) 2.561 9.400 ( 4.777 2.826 1.053) 5.650 9.787 ( 0.680 5.184 5.134) 7.328 9.814 ( 1.337 6.754 -2.926) 7.481 10.373 ( 0.986 2.289 -5.779) 6.294 10.504 ( -4.734 3.931 5.628) 8.339 10.796 ( -8.703 -5.849 -3.989) 11.219 10.866 ( -3.353 -3.231 0.076) 4.657 11.339 ( -6.656 -4.769 5.797) 10.033 11.400 ( -3.270 -5.929 -3.307) 7.535 12.468 ( 8.290 5.706 0.485) 10.076 12.496 ( 8.747 5.849 -0.979) 10.568 12.937 ( 5.930 -6.677 -1.437) 9.045 13.006 ( 5.790 -5.541 2.633) 8.436 16.453 ( -5.439 -1.558 1.469) 5.845 16.585 ( -8.315 -2.912 2.220) 9.085 17.156 ( 6.733 -5.033 1.305) 8.507 17.281 ( -0.182 -0.159 1.897) 1.913 17.775 ( -7.912 5.697 -0.702) 9.775 18.050 ( -2.154 -0.827 -0.046) 2.307 18.408 ( 4.582 1.218 -1.424) 4.950 18.636 ( 1.530 1.658 -0.957) 2.450 21.106 ( 3.664 2.298 -2.109) 4.812 21.151 ( 6.351 1.795 0.746) 6.642 21.779 ( -3.428 -0.889 -6.179) 7.122 21.832 ( -3.076 -1.171 5.131) 6.096 ======================= Grid point 223 (111/170) ======================= q-point: ( 0.27 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 4.242 11.753 -14.609) 19.223 2.225 ( 9.434 8.612 -5.925) 14.081 2.358 ( -1.861 0.656 8.765) 8.985 2.528 ( 5.141 1.056 10.341) 11.597 2.769 ( -4.683 -6.186 0.591) 7.781 2.808 ( -4.651 -3.108 -1.220) 5.725 2.948 ( -8.202 -1.642 4.774) 9.631 2.989 ( -2.875 -5.278 1.722) 6.252 3.173 ( 3.959 -5.080 0.001) 6.441 3.351 ( -4.365 0.447 -4.383) 6.202 3.546 ( 0.402 -4.482 -2.654) 5.225 3.667 ( -3.376 -3.210 4.833) 6.713 3.846 ( -2.733 -3.608 0.177) 4.529 3.972 ( 1.668 -3.076 -0.362) 3.517 4.267 ( 7.716 13.311 -19.567) 24.892 4.434 ( 1.159 6.900 -14.674) 16.257 4.608 ( 2.543 11.761 -5.506) 13.233 4.845 ( -2.592 2.116 -5.066) 6.071 4.871 ( 5.607 9.598 6.221) 12.738 5.069 ( 0.700 -3.121 -3.274) 4.577 5.271 ( 4.520 7.320 5.967) 10.470 5.452 ( 9.396 5.601 10.726) 15.320 5.556 ( -4.642 1.573 3.051) 5.774 5.673 ( -3.550 -1.045 2.836) 4.662 5.915 ( -10.188 -7.851 -9.906) 16.235 6.068 ( -2.262 -0.384 -1.304) 2.639 6.247 ( 2.118 0.753 2.689) 3.505 6.377 ( -5.973 -13.018 5.386) 15.302 7.099 ( -2.007 0.311 1.017) 2.271 7.463 ( -0.181 -0.637 1.293) 1.452 7.569 ( -4.039 12.290 -0.343) 12.942 7.750 ( -2.945 13.751 6.962) 15.692 8.251 ( 11.116 3.011 -7.822) 13.922 8.435 ( 8.711 2.724 -1.013) 9.184 9.314 ( -2.760 1.468 -3.527) 4.713 9.474 ( 4.809 0.922 -1.175) 5.035 9.792 ( -0.584 3.535 -2.400) 4.312 9.924 ( 6.229 1.300 8.277) 10.441 10.361 ( 3.287 -2.174 -6.340) 7.465 10.489 ( -3.145 3.161 3.464) 5.647 10.612 ( -7.558 -2.998 -0.968) 8.188 10.817 ( -3.829 1.210 -1.411) 4.257 11.285 ( -6.760 -4.062 4.693) 9.177 11.315 ( -3.898 -3.756 -1.617) 5.649 12.505 ( 8.190 6.046 -9.316) 13.799 12.714 ( 6.937 4.769 9.598) 12.767 13.049 ( 7.979 -6.852 0.593) 10.534 13.098 ( 2.782 -5.689 1.781) 6.578 16.452 ( -2.287 3.536 7.019) 8.185 16.533 ( -3.295 2.758 6.696) 7.956 17.113 ( -10.000 16.048 -1.012) 18.935 17.220 ( -13.560 12.951 7.663) 20.257 17.786 ( 9.678 -10.103 -0.479) 13.998 18.130 ( 9.481 -11.108 0.514) 14.613 18.429 ( 2.282 -0.848 -4.356) 4.990 18.593 ( -1.497 -0.969 -6.734) 6.966 21.136 ( 2.771 1.199 -1.737) 3.483 21.267 ( 5.006 1.462 3.231) 6.135 21.643 ( -2.468 -3.184 -8.557) 9.458 21.819 ( -4.159 -4.344 2.707) 6.595 ======================= Grid point 224 (112/170) ======================= q-point: ( 0.36 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 5.245 3.990 -9.922) 11.911 2.260 ( -5.861 2.367 1.528) 6.502 2.395 ( 10.086 7.121 -4.154) 13.026 2.624 ( -5.660 -0.055 -3.501) 6.655 2.654 ( -1.602 0.313 5.577) 5.811 2.815 ( 3.286 0.071 0.445) 3.316 2.957 ( -3.910 -4.292 9.061) 10.761 3.025 ( -0.300 -5.046 7.019) 8.650 3.211 ( 2.304 -4.170 -2.026) 5.177 3.215 ( -12.471 3.701 0.355) 13.013 3.449 ( -3.811 0.878 -0.558) 3.950 3.664 ( -3.966 -4.047 3.717) 6.777 3.893 ( 6.564 -12.011 -4.784) 14.500 4.021 ( 6.170 -5.958 -4.958) 9.907 4.185 ( 1.735 5.453 -13.769) 14.911 4.314 ( 14.825 1.627 -17.775) 23.203 4.563 ( -0.594 0.208 -8.044) 8.069 4.711 ( -1.058 6.350 -1.247) 6.557 5.027 ( 7.736 7.041 0.750) 10.488 5.160 ( 3.441 3.292 8.005) 9.314 5.333 ( -5.984 3.700 1.413) 7.176 5.484 ( -6.990 -3.108 1.239) 7.749 5.547 ( -5.406 3.353 -6.129) 8.833 5.656 ( -7.573 -4.475 0.588) 8.816 5.785 ( 11.184 1.374 8.525) 14.130 6.018 ( -4.426 2.334 -0.788) 5.065 6.273 ( -3.637 1.517 1.191) 4.116 6.330 ( -1.871 -3.781 -0.447) 4.242 7.109 ( 0.431 2.999 3.878) 4.921 7.440 ( -0.725 6.170 -2.722) 6.782 7.550 ( -2.435 6.418 5.805) 8.990 7.788 ( -4.114 14.556 9.137) 17.672 8.319 ( 9.968 2.892 -9.947) 14.376 8.505 ( 3.798 1.740 -5.681) 7.052 9.258 ( -0.444 -0.108 -0.817) 0.936 9.525 ( 3.019 -3.011 -1.745) 4.607 9.760 ( 1.008 0.257 -2.790) 2.977 10.115 ( 5.096 -2.153 8.125) 9.829 10.260 ( -3.454 -3.356 -8.501) 9.770 10.500 ( 0.422 4.368 1.165) 4.541 10.577 ( -0.637 -2.305 2.820) 3.698 10.728 ( -2.966 5.691 -2.904) 7.044 11.233 ( -7.434 -2.916 4.782) 9.308 11.251 ( -1.485 -2.589 -1.386) 3.291 12.549 ( 8.334 4.814 -5.600) 11.135 12.879 ( 0.880 2.262 6.864) 7.281 13.128 ( 3.181 -3.471 -0.125) 4.710 13.194 ( 4.970 -4.725 3.634) 7.761 16.486 ( -0.415 8.022 4.407) 9.162 16.640 ( -1.094 5.048 14.540) 15.431 16.934 ( -9.652 23.952 0.581) 25.830 17.078 ( -15.480 16.404 10.375) 24.826 17.976 ( 12.830 -11.790 -0.548) 17.434 18.283 ( 8.201 -10.430 -0.147) 13.269 18.392 ( 0.673 -3.205 -6.131) 6.951 18.460 ( -1.784 -1.129 -11.384) 11.578 21.152 ( 2.305 -2.484 -2.394) 4.149 21.339 ( -1.092 -2.852 1.317) 3.325 21.556 ( 3.067 -3.041 -5.077) 6.665 21.772 ( -4.175 -5.299 1.135) 6.841 ======================= Grid point 225 (113/170) ======================= q-point: ( 0.45 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 1.807 -2.011 -0.737) 2.802 2.209 ( -0.412 4.450 2.819) 5.284 2.434 ( -8.319 -2.368 -7.787) 11.639 2.540 ( 13.910 4.384 -9.244) 17.267 2.711 ( -3.182 5.548 9.021) 11.058 2.878 ( 1.160 0.873 2.088) 2.543 2.995 ( -8.337 2.847 4.933) 10.097 3.007 ( -1.832 -3.380 3.280) 5.054 3.072 ( -0.803 -0.668 1.736) 2.026 3.229 ( 2.095 -4.711 -2.631) 5.789 3.438 ( -0.499 -3.455 0.790) 3.579 3.604 ( -4.693 -0.549 -1.286) 4.897 3.867 ( 1.313 -6.466 -14.837) 16.237 3.915 ( 2.808 0.924 -11.750) 12.116 4.218 ( 7.878 -10.988 -2.316) 13.717 4.377 ( -0.262 -3.750 -5.476) 6.642 4.565 ( 19.231 -12.863 -5.090) 23.689 4.792 ( 4.359 7.913 6.414) 11.079 4.997 ( -20.277 -3.746 -2.204) 20.738 5.185 ( -9.217 -0.448 1.114) 9.295 5.257 ( 8.860 6.541 2.032) 11.198 5.417 ( 0.518 3.793 1.760) 4.214 5.466 ( 0.301 8.851 -2.701) 9.259 5.639 ( -2.875 -0.758 5.710) 6.438 5.900 ( -5.796 5.185 -4.392) 8.931 6.047 ( 10.729 2.511 4.657) 11.962 6.154 ( -6.296 -0.752 -4.880) 8.002 6.305 ( -2.773 3.390 0.609) 4.421 7.198 ( 2.772 4.097 6.051) 7.816 7.410 ( 0.680 8.053 -2.530) 8.468 7.605 ( -1.023 3.421 9.328) 9.988 7.817 ( -4.525 13.495 8.662) 16.662 8.344 ( 7.537 2.390 -10.914) 13.477 8.420 ( -2.302 1.266 -10.627) 10.947 9.286 ( 2.839 -1.180 2.081) 3.712 9.508 ( -1.819 -3.873 -3.132) 5.303 9.789 ( 4.901 -3.769 -0.471) 6.200 10.055 ( -9.841 -6.052 -3.350) 12.029 10.313 ( 8.263 0.677 2.002) 8.529 10.490 ( -3.215 3.730 1.008) 5.026 10.592 ( 1.692 2.958 -1.033) 3.561 10.705 ( 1.423 4.905 -0.155) 5.109 11.161 ( -7.078 -2.281 3.722) 8.316 11.235 ( 1.360 -1.822 -1.357) 2.648 12.648 ( 8.573 1.949 -0.915) 8.839 12.861 ( -7.090 -0.867 0.333) 7.150 13.206 ( 3.414 0.325 3.397) 4.827 13.283 ( 1.253 -1.789 2.968) 3.685 16.555 ( 4.077 12.860 3.031) 13.827 16.669 ( -8.451 12.052 4.373) 15.356 16.945 ( -2.408 16.643 13.830) 21.772 17.000 ( -6.300 16.792 11.702) 21.415 18.110 ( 5.372 -7.293 -4.267) 10.013 18.300 ( -0.054 -0.292 -11.675) 11.679 18.335 ( -2.267 -8.722 -0.108) 9.013 18.379 ( 6.147 -4.514 -5.638) 9.484 21.163 ( 3.447 -8.005 -3.322) 9.328 21.266 ( -3.912 -9.049 -4.234) 10.729 21.621 ( 5.455 -1.068 1.365) 5.724 21.719 ( -4.286 -3.335 1.239) 5.570 ======================= Grid point 226 (114/170) ======================= q-point: (-0.45 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -6.194 2.840 5.767) 8.926 2.184 ( -12.121 -3.452 -6.855) 14.346 2.300 ( 7.811 -0.365 0.405) 7.830 2.562 ( 2.400 3.346 -8.180) 9.158 2.737 ( -4.786 4.470 6.757) 9.410 2.924 ( 4.822 3.962 2.893) 6.879 3.018 ( 1.390 -3.715 -0.585) 4.010 3.037 ( 7.103 1.394 1.800) 7.459 3.147 ( 4.400 -0.550 4.231) 6.129 3.215 ( 1.092 -3.025 -2.497) 4.072 3.387 ( -2.138 -3.846 -4.223) 6.099 3.559 ( 4.508 1.225 -6.189) 7.754 3.742 ( -0.683 -3.771 -6.249) 7.331 3.862 ( 3.044 -2.001 -8.713) 9.444 4.151 ( -11.333 -13.382 0.180) 17.538 4.422 ( 8.152 -5.414 -4.097) 10.609 4.541 ( -25.303 -5.379 -4.134) 26.196 4.854 ( 14.948 -11.865 2.263) 19.218 5.009 ( -3.301 8.314 1.589) 9.085 5.022 ( 3.206 3.628 5.292) 7.173 5.323 ( -6.371 4.609 -1.465) 7.999 5.459 ( 8.294 2.571 1.326) 8.784 5.569 ( 3.094 8.400 1.953) 9.162 5.640 ( 0.350 2.700 2.023) 3.392 5.779 ( -2.874 4.503 0.861) 5.411 6.001 ( -3.419 1.806 -5.607) 6.811 6.217 ( -0.205 2.282 1.537) 2.759 6.279 ( 4.861 1.113 -1.024) 5.091 7.272 ( -1.496 4.336 3.846) 5.986 7.401 ( 1.700 7.212 -2.814) 7.926 7.716 ( -2.122 3.886 12.135) 12.917 7.859 ( 1.051 10.045 7.063) 12.324 8.218 ( -5.314 -0.804 -10.735) 12.005 8.342 ( 5.476 4.964 -10.261) 12.646 9.372 ( 3.327 -1.715 2.884) 4.725 9.421 ( -2.932 -3.253 -4.059) 5.970 9.851 ( -8.839 -5.919 -1.427) 10.733 9.886 ( 2.835 -3.734 1.292) 4.864 10.377 ( -2.201 2.306 0.137) 3.191 10.485 ( 3.230 2.499 -2.081) 4.583 10.630 ( 3.212 5.383 1.122) 6.368 10.716 ( 0.652 3.341 -0.951) 3.535 11.118 ( -2.883 -1.326 3.730) 4.897 11.268 ( 4.683 -2.421 -1.242) 5.416 12.688 ( -10.527 -0.088 -1.287) 10.606 12.801 ( 7.189 -1.575 1.223) 7.460 13.270 ( -0.715 0.525 3.114) 3.238 13.292 ( -2.856 0.599 1.266) 3.181 16.582 ( -4.863 13.887 1.831) 14.827 16.688 ( 9.036 16.688 1.276) 19.021 16.974 ( -7.583 11.365 14.804) 20.145 17.213 ( 9.620 14.791 11.413) 21.014 18.057 ( -2.450 -3.939 -5.484) 7.183 18.171 ( -1.590 -0.612 -9.777) 9.924 18.275 ( -5.675 -7.067 -1.461) 9.181 18.414 ( 3.779 -5.469 -3.524) 7.524 21.164 ( -2.389 -10.615 -4.547) 11.792 21.197 ( 5.183 -11.015 -2.679) 12.465 21.655 ( -5.706 -0.511 0.912) 5.801 21.720 ( 4.389 -1.644 1.986) 5.091 ======================= Grid point 227 (115/170) ======================= q-point: (-0.36 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -16.349 2.699 -2.207) 16.717 1.984 ( -14.824 8.176 3.963) 17.387 2.453 ( 9.913 -3.055 1.484) 10.479 2.542 ( 6.472 1.124 -5.729) 8.716 2.739 ( -2.329 1.175 4.818) 5.479 2.992 ( 0.614 0.148 0.691) 0.936 3.016 ( 1.215 -1.311 -5.727) 6.000 3.200 ( 6.646 -2.570 -0.017) 7.125 3.268 ( 8.924 1.113 2.980) 9.474 3.301 ( 9.789 1.615 0.225) 9.923 3.348 ( 1.282 -3.655 1.262) 4.074 3.580 ( 7.546 1.331 -6.728) 10.197 3.693 ( -3.398 2.373 1.264) 4.333 3.819 ( 0.497 -5.588 -4.014) 6.898 3.942 ( -16.853 -7.732 -1.291) 18.587 4.105 ( -19.039 -4.864 -0.086) 19.651 4.491 ( 4.660 -0.797 -6.005) 7.643 4.819 ( -6.716 8.826 -0.979) 11.134 5.026 ( -8.792 0.602 1.675) 8.970 5.197 ( 4.851 5.051 2.881) 7.572 5.320 ( 8.826 -6.546 0.872) 11.023 5.483 ( -0.031 7.342 -2.458) 7.743 5.510 ( -3.393 2.365 2.481) 4.823 5.827 ( 10.386 -1.066 3.684) 11.072 5.845 ( 5.430 3.055 4.005) 7.406 5.953 ( 1.113 1.023 1.555) 2.169 6.150 ( -2.901 3.390 -3.632) 5.753 6.357 ( 3.657 -3.432 -2.761) 5.725 7.244 ( -3.874 4.812 0.516) 6.199 7.395 ( 0.723 4.453 -1.618) 4.792 7.749 ( -3.289 8.086 4.062) 9.628 8.030 ( 2.903 7.098 7.650) 10.832 8.039 ( -3.029 0.085 -2.940) 4.222 8.303 ( 2.548 4.583 -8.602) 10.074 9.319 ( -2.801 -3.273 -3.712) 5.687 9.438 ( -1.707 -2.419 1.913) 3.525 9.698 ( -5.727 -1.374 0.201) 5.893 9.972 ( 1.911 -2.799 4.219) 5.412 10.326 ( -4.097 1.423 0.737) 4.399 10.482 ( 1.866 2.360 -4.706) 5.585 10.677 ( 2.135 7.660 -0.196) 7.955 10.747 ( 4.633 -0.150 -1.182) 4.784 11.155 ( 2.376 -0.743 3.343) 4.168 11.349 ( 6.414 -3.662 -0.605) 7.411 12.474 ( -13.313 1.797 -1.631) 13.533 12.930 ( 5.048 -4.624 2.745) 7.375 13.204 ( -7.235 2.677 -1.092) 7.791 13.261 ( -4.479 -1.779 1.205) 4.967 16.560 ( 0.309 11.047 0.788) 11.080 16.869 ( 12.283 16.111 0.559) 20.267 17.050 ( -1.688 9.394 11.032) 14.588 17.499 ( 15.346 12.632 3.367) 20.159 17.970 ( -6.291 -3.644 3.376) 8.016 18.026 ( -5.435 -3.350 -6.598) 9.181 18.140 ( -5.890 -3.139 -4.180) 7.875 18.385 ( -3.181 -7.333 -3.268) 8.635 21.102 ( -0.302 -7.714 -2.670) 8.169 21.265 ( 5.626 -10.152 -0.744) 11.630 21.554 ( -7.785 1.724 -0.183) 7.976 21.797 ( 3.409 -2.533 0.835) 4.329 ======================= Grid point 228 (116/170) ======================= q-point: (-0.27 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -14.528 11.455 5.104) 19.192 1.791 ( -16.984 13.877 9.128) 23.755 2.593 ( 5.997 -2.244 0.002) 6.403 2.642 ( 9.960 -4.024 -3.608) 11.332 2.777 ( 2.325 -0.078 2.824) 3.659 2.956 ( 1.611 -0.246 -6.363) 6.569 2.990 ( -0.845 -0.502 -0.565) 1.134 3.240 ( -7.348 5.276 -1.045) 9.105 3.281 ( -1.732 -1.255 -0.368) 2.170 3.362 ( -0.164 0.234 -6.661) 6.667 3.523 ( -2.739 4.031 8.335) 9.655 3.581 ( 1.311 0.975 1.003) 1.917 3.674 ( 7.148 2.075 5.151) 9.052 3.776 ( 0.564 -6.294 0.269) 6.325 3.808 ( -0.705 -0.728 3.805) 3.937 3.976 ( 0.649 -7.205 -3.363) 7.977 4.494 ( 3.189 3.876 -2.343) 5.539 4.722 ( -5.262 6.814 -2.907) 9.087 4.891 ( -4.518 7.517 2.236) 9.051 5.131 ( -8.514 9.074 -1.341) 12.515 5.375 ( -8.385 8.708 1.419) 12.172 5.525 ( 2.614 -4.289 1.635) 5.283 5.595 ( 10.486 -2.500 2.172) 10.996 5.917 ( 3.579 -3.861 -6.892) 8.673 5.978 ( 6.278 3.259 -4.349) 8.304 6.058 ( 0.037 -8.108 7.132) 10.799 6.157 ( 8.568 3.013 7.594) 11.839 6.322 ( -0.842 -6.430 -4.344) 7.805 7.197 ( -0.992 3.684 -1.280) 4.024 7.397 ( 0.445 1.847 0.950) 2.124 7.740 ( 0.591 9.502 -1.400) 9.623 7.896 ( -8.839 1.936 0.217) 9.051 8.198 ( 5.972 10.689 0.060) 12.244 8.229 ( -4.503 1.334 -0.739) 4.754 9.252 ( -2.269 -2.473 -1.569) 3.705 9.371 ( -6.371 -1.389 2.168) 6.872 9.692 ( 1.272 1.986 1.917) 3.039 10.034 ( 0.080 0.462 4.356) 4.381 10.266 ( -3.827 -1.060 -0.417) 3.993 10.472 ( 3.246 1.794 -3.477) 5.084 10.719 ( 3.213 8.441 -0.122) 9.033 10.819 ( 7.429 -2.868 -2.009) 8.213 11.250 ( 5.476 -1.211 1.715) 5.864 11.437 ( 5.642 -4.599 -1.038) 7.353 12.257 ( -13.468 3.965 1.234) 14.093 12.981 ( -3.563 -7.551 1.155) 8.429 13.046 ( -9.627 3.303 -2.579) 10.499 13.183 ( -4.057 -3.844 -0.634) 5.625 16.604 ( 4.654 5.344 -0.464) 7.102 17.045 ( 7.469 5.520 -2.205) 9.546 17.122 ( 3.135 11.308 -0.444) 11.743 17.699 ( 12.577 7.193 -9.223) 17.176 17.835 ( -6.529 -6.167 -6.274) 10.955 18.014 ( -2.883 1.523 11.844) 12.285 18.072 ( -0.557 0.785 7.645) 7.706 18.255 ( -7.912 -8.789 -2.351) 12.057 21.089 ( 0.326 -1.629 -0.402) 1.709 21.345 ( 1.942 -5.133 2.237) 5.927 21.417 ( -6.549 1.285 -1.770) 6.905 21.849 ( 3.008 -3.002 -0.045) 4.250 ======================= Grid point 229 (117/170) ======================= q-point: (-0.18 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -7.833 20.438 13.043) 25.479 1.690 ( -12.835 17.959 15.580) 27.018 2.596 ( -2.715 -4.939 -4.301) 7.090 2.689 ( -0.454 -1.150 -2.530) 2.816 2.852 ( -12.820 16.085 -0.999) 20.593 2.876 ( 2.117 0.846 1.288) 2.619 3.009 ( 6.748 -2.230 -0.699) 7.141 3.044 ( -3.659 0.076 7.267) 8.136 3.250 ( 0.811 -5.630 -7.070) 9.074 3.364 ( 2.836 2.485 -2.999) 4.818 3.515 ( 0.134 -1.366 0.701) 1.541 3.629 ( 2.715 -0.709 -2.580) 3.812 3.781 ( 0.445 -7.638 -0.191) 7.653 3.899 ( 4.472 5.083 5.512) 8.731 3.929 ( 6.559 1.265 13.398) 14.971 4.024 ( 4.831 -3.764 5.899) 8.503 4.495 ( -0.491 8.966 -1.535) 9.110 4.665 ( -1.413 8.984 3.569) 9.770 4.955 ( 4.651 5.580 2.496) 7.681 4.983 ( -3.906 11.000 -3.350) 12.144 5.233 ( -10.063 12.664 0.543) 16.184 5.516 ( -2.171 0.101 -2.816) 3.557 5.749 ( 4.608 -6.171 2.312) 8.041 5.815 ( -1.918 -1.421 -10.036) 10.316 5.990 ( -5.929 -5.521 2.030) 8.352 6.059 ( 2.322 -5.723 -4.200) 7.469 6.249 ( 0.363 0.687 0.255) 0.818 6.510 ( 15.800 -9.217 6.218) 19.320 7.188 ( 1.851 0.777 -1.685) 2.621 7.438 ( 1.686 -0.470 3.244) 3.686 7.701 ( -3.404 5.449 -5.816) 8.666 7.784 ( -5.563 5.126 3.699) 8.421 8.100 ( -5.411 4.027 -4.428) 8.069 8.268 ( 0.657 10.641 1.180) 10.727 9.208 ( -3.813 1.293 2.705) 4.850 9.347 ( 0.006 -0.776 2.329) 2.455 9.730 ( 0.382 2.367 0.867) 2.550 10.059 ( -0.531 5.676 -0.033) 5.701 10.215 ( -0.778 -1.657 -0.076) 1.832 10.521 ( 5.787 -0.302 -0.412) 5.810 10.765 ( 3.763 6.794 -1.740) 7.959 10.944 ( 9.425 -3.832 -0.048) 10.174 11.337 ( 4.283 -2.938 -1.130) 5.315 11.505 ( 5.384 -4.468 -1.465) 7.149 12.092 ( -12.503 5.042 6.012) 14.762 12.829 ( -11.429 -2.862 -2.022) 11.954 12.858 ( -12.146 -2.105 -1.531) 12.422 13.147 ( -0.312 -5.185 -2.033) 5.578 16.684 ( 6.896 -2.068 -1.970) 7.464 16.945 ( -2.604 1.092 -16.010) 16.257 17.153 ( -3.141 -3.376 0.588) 4.649 17.665 ( -5.706 -5.528 -8.690) 11.774 17.775 ( 8.780 7.038 -6.310) 12.901 18.060 ( 3.744 1.016 1.101) 4.033 18.169 ( -3.797 -3.107 8.856) 10.124 18.307 ( 7.070 5.378 13.175) 15.890 21.083 ( -1.277 2.823 -0.158) 3.102 21.240 ( -9.513 5.434 -0.284) 10.959 21.457 ( 4.021 -4.223 3.439) 6.770 21.899 ( 3.084 -2.258 0.462) 3.850 ======================= Grid point 230 (118/170) ======================= q-point: (-0.09 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -4.390 22.716 16.886) 28.643 1.699 ( -8.689 18.756 14.564) 25.286 2.470 ( -3.108 -1.687 -9.029) 9.697 2.629 ( -3.284 6.400 1.831) 7.422 2.732 ( -5.443 15.378 9.357) 18.806 2.896 ( 0.398 -2.815 -1.885) 3.411 3.030 ( -1.976 1.547 5.197) 5.772 3.183 ( -0.126 -6.994 -4.513) 8.325 3.229 ( 10.084 -6.437 0.881) 11.996 3.315 ( 0.244 1.108 -6.197) 6.300 3.520 ( 0.194 -8.273 -5.027) 9.682 3.628 ( 0.247 1.637 0.896) 1.883 3.847 ( 5.111 -9.013 0.921) 10.402 4.024 ( 8.797 8.992 2.326) 12.793 4.156 ( 4.898 2.928 13.081) 14.271 4.227 ( -0.693 1.744 19.425) 19.516 4.519 ( 3.429 12.304 1.485) 12.859 4.666 ( -4.092 9.571 1.404) 10.503 4.869 ( -3.052 14.225 -1.587) 14.635 5.065 ( 1.491 2.924 -3.494) 4.794 5.099 ( -5.563 9.885 1.296) 11.416 5.434 ( -1.176 -1.728 -4.811) 5.246 5.708 ( 1.234 2.323 -4.736) 5.418 5.801 ( 0.881 -1.901 -0.156) 2.102 5.876 ( -8.979 -6.519 3.266) 11.566 6.063 ( -0.691 -6.207 -1.086) 6.339 6.258 ( 2.373 -2.656 -2.445) 4.320 6.724 ( 7.639 -7.904 -4.247) 11.785 7.217 ( 3.497 -1.573 -0.864) 3.931 7.483 ( -0.960 -5.640 -2.221) 6.137 7.580 ( -4.815 2.947 4.384) 7.147 7.771 ( 0.603 5.360 -0.244) 5.399 8.000 ( -2.984 5.572 -0.390) 6.332 8.262 ( -0.424 11.927 -2.629) 12.220 9.190 ( -3.466 4.499 3.918) 6.900 9.397 ( 1.761 -1.458 2.444) 3.347 9.696 ( -3.313 2.583 -1.360) 4.415 10.018 ( -0.843 9.675 -4.987) 10.917 10.278 ( 7.029 1.413 1.634) 7.354 10.617 ( 4.367 0.440 0.543) 4.422 10.788 ( 1.076 1.233 -0.930) 1.882 11.087 ( 8.968 -4.620 -1.237) 10.164 11.351 ( -0.456 -4.991 -1.226) 5.160 11.580 ( 5.629 -4.905 -2.915) 8.015 11.995 ( -10.531 5.006 10.563) 15.733 12.657 ( -5.293 4.450 -6.148) 9.253 12.671 ( -10.845 -6.119 5.785) 13.731 13.095 ( -1.512 -5.136 -4.922) 7.273 16.725 ( 3.166 -4.085 -9.849) 11.123 16.806 ( 4.815 -9.030 -2.871) 10.629 17.032 ( -9.955 -10.684 -1.411) 14.670 17.397 ( -10.986 -10.797 -13.189) 20.278 17.903 ( 9.092 7.098 2.844) 11.880 18.164 ( 3.503 4.874 2.202) 6.393 18.258 ( 6.528 5.870 2.767) 9.205 18.493 ( 0.733 5.235 6.235) 8.175 21.043 ( -2.075 2.014 -1.556) 3.284 21.116 ( -5.259 6.835 -0.235) 8.627 21.567 ( 2.373 -0.401 7.205) 7.597 21.949 ( 2.158 -0.602 0.328) 2.264 ======================= Grid point 231 (119/170) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -5.679 9.367 5.356) 12.194 2.118 ( -2.826 13.526 12.952) 18.939 2.341 ( -0.608 1.898 -10.152) 10.346 2.638 ( 3.073 -0.310 -6.369) 7.078 2.760 ( 2.186 -5.045 -1.717) 5.760 2.817 ( -2.416 -2.405 -2.616) 4.297 2.946 ( -0.565 -3.608 -6.749) 7.674 3.100 ( 4.832 -7.423 -9.603) 13.064 3.199 ( -1.960 -6.688 4.169) 8.121 3.301 ( 0.695 -6.391 1.343) 6.568 3.489 ( 8.365 5.707 8.332) 13.114 3.745 ( 0.450 -1.145 -1.993) 2.342 4.099 ( 0.258 26.541 19.715) 33.063 4.311 ( 0.293 2.403 8.780) 9.108 4.358 ( -0.790 -1.516 9.771) 9.919 4.552 ( 2.417 12.675 13.190) 18.452 4.795 ( -6.322 15.382 -4.651) 17.269 4.840 ( 0.588 9.964 5.969) 11.629 5.013 ( -5.655 6.705 -0.854) 8.813 5.112 ( -0.614 3.113 -1.838) 3.667 5.194 ( 1.685 12.910 -7.396) 14.974 5.387 ( 3.931 3.546 -5.127) 7.370 5.653 ( -6.149 -8.331 3.754) 11.014 5.728 ( -0.037 -4.034 5.428) 6.763 5.839 ( 5.698 -7.008 -2.446) 9.357 5.929 ( -0.142 1.681 -0.156) 1.694 6.139 ( -0.431 -7.781 -2.864) 8.303 6.507 ( -0.522 -11.591 -12.623) 17.145 7.237 ( 0.658 -0.805 -0.051) 1.041 7.282 ( -3.813 -3.827 -1.928) 5.736 7.605 ( 0.723 -1.959 4.534) 4.992 7.769 ( 4.821 -5.133 -3.109) 7.698 8.190 ( -0.622 11.469 2.742) 11.809 8.395 ( -0.577 7.405 -6.748) 10.035 9.290 ( -2.030 4.678 5.509) 7.507 9.415 ( -0.352 -0.060 2.080) 2.111 9.796 ( -0.445 8.841 6.889) 11.218 10.154 ( 0.319 9.878 -2.772) 10.264 10.494 ( 11.276 2.812 -0.341) 11.627 10.635 ( -4.111 -2.319 5.049) 6.911 10.755 ( -6.585 4.752 -5.906) 10.041 11.040 ( 5.746 -7.986 -7.538) 12.394 11.195 ( -3.336 -6.620 2.259) 7.750 11.413 ( -1.982 -8.664 -5.421) 10.410 12.169 ( 0.615 6.760 11.669) 13.500 12.553 ( 0.320 -3.624 -0.231) 3.646 12.670 ( 0.219 3.621 0.308) 3.640 12.916 ( -0.501 -4.592 -5.712) 7.346 16.565 ( 2.523 -9.494 -1.478) 9.934 16.577 ( -3.421 -9.868 -1.698) 10.581 16.763 ( -2.672 -3.217 -5.187) 6.662 16.935 ( -0.565 -8.232 -13.132) 15.510 18.165 ( 1.298 4.064 6.638) 7.890 18.249 ( 0.578 1.601 3.480) 3.874 18.558 ( 5.421 6.003 1.063) 8.158 18.578 ( -5.032 5.478 0.175) 7.441 21.057 ( 1.423 2.504 -1.603) 3.296 21.137 ( -0.378 1.997 -4.555) 4.988 21.738 ( 0.197 4.171 9.732) 10.590 21.957 ( -0.067 -1.014 -0.125) 1.024 ======================= Grid point 232 (120/170) ======================= q-point: ( 0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 1.591 5.013 10.998) 12.191 2.191 ( -2.149 0.436 5.613) 6.026 2.294 ( 3.987 8.057 -0.625) 9.011 2.590 ( 3.012 3.292 -10.563) 11.467 2.758 ( -2.308 -1.472 -2.203) 3.514 2.788 ( 2.248 -3.231 -0.336) 3.950 2.884 ( -0.480 -3.511 -2.417) 4.289 3.065 ( 3.158 -5.770 -7.705) 10.131 3.186 ( -4.932 -7.902 2.140) 9.557 3.304 ( 1.146 -6.713 -0.411) 6.822 3.610 ( -6.944 2.712 -6.597) 9.955 3.679 ( 1.498 1.252 3.631) 4.123 4.213 ( -12.717 4.105 1.656) 13.466 4.389 ( 5.504 24.342 23.200) 34.075 4.499 ( -10.909 14.220 -0.607) 17.932 4.596 ( 6.631 -3.296 3.806) 8.326 4.722 ( 2.934 14.540 -2.622) 15.063 4.886 ( -5.011 9.585 1.399) 10.906 4.958 ( -1.832 4.378 8.373) 9.625 5.084 ( 0.799 1.757 0.756) 2.073 5.222 ( 6.925 13.454 -3.611) 15.556 5.365 ( 1.967 3.648 -11.153) 11.898 5.598 ( -5.346 -4.470 6.203) 9.329 5.811 ( -0.322 1.931 5.340) 5.688 5.865 ( 2.038 -8.302 -3.662) 9.300 5.952 ( 5.819 -2.365 1.403) 6.436 6.122 ( -4.356 -11.224 4.326) 12.794 6.313 ( -3.509 -12.032 -15.107) 19.629 7.168 ( -4.353 -1.179 -0.199) 4.514 7.309 ( 3.097 -3.110 1.334) 4.587 7.691 ( 5.709 0.366 1.088) 5.823 7.834 ( 7.578 -3.450 -4.415) 9.424 8.224 ( -0.324 9.006 4.159) 9.925 8.322 ( 0.970 6.920 -5.086) 8.643 9.340 ( 0.330 3.702 6.169) 7.202 9.429 ( 0.869 1.141 0.004) 1.434 9.876 ( -1.117 10.419 8.367) 13.409 10.092 ( 0.415 13.403 -8.954) 16.124 10.560 ( -5.070 2.910 -7.950) 9.868 10.602 ( -9.557 2.247 8.575) 13.035 10.664 ( 5.987 -4.819 2.415) 8.056 10.943 ( -3.983 -4.522 -9.462) 11.218 11.214 ( -2.084 -7.614 6.708) 10.359 11.327 ( -1.823 -9.222 -4.263) 10.322 12.353 ( 6.162 5.077 10.691) 13.343 12.553 ( 7.269 2.022 -9.211) 11.906 12.746 ( 2.658 -2.848 5.993) 7.148 12.865 ( 2.590 -3.385 -5.670) 7.093 16.488 ( -3.001 -3.296 -2.452) 5.087 16.624 ( -1.345 -4.191 -1.003) 4.514 16.727 ( 9.179 -9.532 0.021) 13.233 16.941 ( 11.520 -12.193 -4.006) 17.246 18.140 ( -8.181 7.966 1.201) 11.481 18.323 ( 1.662 2.746 1.287) 3.458 18.412 ( -11.299 6.895 -0.282) 13.240 18.638 ( 1.283 1.820 1.401) 2.632 21.092 ( 4.129 1.457 -0.925) 4.475 21.118 ( 3.655 1.722 -3.128) 5.109 21.808 ( -3.783 2.109 7.802) 8.923 21.908 ( -3.999 -0.114 -2.789) 4.877 ======================= Grid point 233 (121/170) ======================= q-point: ( 0.18 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 3.149 -1.162 5.217) 6.204 2.246 ( 5.687 1.056 11.438) 12.817 2.380 ( 2.940 5.287 3.102) 6.798 2.498 ( 0.844 8.635 -11.973) 14.786 2.697 ( -2.245 -1.419 -1.080) 2.867 2.805 ( -0.605 0.986 0.699) 1.351 2.875 ( -0.820 -4.853 1.524) 5.153 3.035 ( 1.310 -5.436 -2.895) 6.297 3.083 ( -7.605 -7.442 -3.008) 11.057 3.333 ( 2.642 -6.941 -1.019) 7.497 3.443 ( -2.756 0.550 -6.533) 7.111 3.632 ( -6.230 -5.338 -1.047) 8.270 4.068 ( -8.256 11.831 2.426) 14.629 4.245 ( -15.692 12.230 -2.383) 20.037 4.634 ( 0.656 12.362 -5.354) 13.488 4.695 ( 0.426 5.403 -10.036) 11.406 4.730 ( 7.187 6.377 12.128) 15.473 4.831 ( -0.807 6.153 -0.234) 6.210 5.004 ( -2.671 4.528 6.547) 8.396 5.167 ( -2.850 5.841 -4.208) 7.742 5.215 ( 3.395 2.362 1.161) 4.296 5.335 ( 7.357 9.229 1.928) 11.959 5.619 ( -3.169 -2.064 6.496) 7.517 5.748 ( -3.349 3.238 -5.061) 6.878 5.926 ( 2.106 -7.646 -2.887) 8.440 6.049 ( 2.799 -10.689 -10.440) 15.202 6.109 ( -3.933 -10.498 14.059) 17.982 6.132 ( -0.171 -4.554 -1.777) 4.892 7.129 ( -1.160 1.427 0.881) 2.039 7.374 ( 2.254 -3.756 2.543) 5.065 7.787 ( 5.114 6.156 -1.261) 8.102 7.898 ( 6.395 3.644 -2.484) 7.768 8.249 ( 1.620 5.737 -0.620) 5.993 8.354 ( 5.262 2.593 0.895) 5.934 9.409 ( 0.176 1.745 1.644) 2.404 9.443 ( 2.185 1.323 -0.372) 2.582 9.918 ( -4.662 9.549 7.583) 13.054 9.995 ( 0.099 10.944 -8.193) 13.672 10.405 ( -1.894 -0.113 -8.574) 8.781 10.549 ( -9.463 -1.825 9.717) 13.685 10.700 ( -2.987 -1.263 -5.650) 6.514 10.837 ( 1.029 0.594 0.637) 1.348 11.228 ( -4.901 -6.882 4.273) 9.468 11.265 ( -1.575 -7.905 -1.289) 8.162 12.570 ( 8.344 4.644 1.419) 9.654 12.595 ( 9.582 4.208 -1.946) 10.645 12.830 ( 3.878 -4.186 0.725) 5.752 12.901 ( 5.152 -5.225 0.356) 7.346 16.467 ( 0.180 2.876 3.084) 4.220 16.580 ( -2.299 2.232 1.962) 3.757 16.967 ( 16.878 -11.655 1.669) 20.579 17.142 ( 14.443 -12.048 1.257) 18.850 17.973 ( -12.305 12.011 -1.270) 17.242 18.163 ( -13.094 10.381 -0.191) 16.711 18.396 ( 2.214 -2.212 -1.508) 3.474 18.631 ( -2.128 -2.286 -1.372) 3.411 21.138 ( 4.543 1.407 -2.717) 5.477 21.188 ( 4.872 1.449 1.740) 5.372 21.762 ( -6.832 -0.656 -3.871) 7.880 21.806 ( -6.472 -1.503 2.955) 7.272 ======================= Grid point 234 (122/170) ======================= q-point: ( 0.27 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -0.439 0.026 -2.487) 2.525 2.345 ( -2.352 5.976 -5.180) 8.252 2.437 ( 4.651 9.609 -2.724) 11.018 2.507 ( 7.176 -2.661 7.523) 10.732 2.703 ( -0.158 -0.500 5.568) 5.593 2.798 ( -2.820 2.031 4.284) 5.516 2.875 ( -2.409 -3.577 3.030) 5.270 2.908 ( -8.412 -4.693 -1.094) 9.695 3.064 ( 4.641 -6.719 -2.224) 8.463 3.321 ( -0.451 -6.104 -3.720) 7.163 3.405 ( 3.198 -4.921 -2.443) 6.357 3.581 ( -0.819 -5.572 2.074) 6.002 3.938 ( -12.234 10.797 -0.960) 16.345 3.996 ( -10.065 6.076 -1.297) 11.828 4.500 ( -6.441 -1.689 -14.762) 16.194 4.545 ( 2.513 14.527 -13.320) 19.868 4.704 ( -6.903 -4.654 -5.922) 10.216 4.939 ( 0.578 10.555 -6.900) 12.623 5.035 ( 1.840 0.548 5.341) 5.676 5.064 ( 4.414 9.421 4.662) 11.400 5.387 ( 0.534 2.727 7.258) 7.772 5.490 ( 2.532 0.805 6.916) 7.409 5.598 ( -0.550 1.503 1.830) 2.431 5.647 ( -6.968 -7.490 1.481) 10.337 5.765 ( -0.895 -1.233 -13.831) 13.915 6.026 ( 2.849 -4.027 -3.662) 6.143 6.189 ( 0.976 -5.308 6.904) 8.763 6.252 ( 3.443 -0.890 6.357) 7.284 7.142 ( 0.495 4.122 2.284) 4.738 7.433 ( 1.602 -2.732 2.727) 4.179 7.795 ( -0.601 11.203 -2.456) 11.485 7.997 ( 4.350 11.183 3.155) 12.407 8.276 ( 5.365 -0.112 -4.466) 6.982 8.463 ( 6.988 -0.273 -0.300) 7.000 9.355 ( -3.129 2.473 -4.325) 5.883 9.473 ( 1.256 -1.101 -1.414) 2.188 9.890 ( -5.409 6.579 -1.996) 8.748 9.967 ( 1.505 3.367 5.370) 6.514 10.310 ( 0.720 -2.819 -8.588) 9.067 10.503 ( -8.249 -5.408 6.817) 11.991 10.612 ( 0.859 6.613 -2.516) 7.128 10.868 ( -0.058 3.748 0.425) 3.772 11.182 ( -3.883 -6.596 2.135) 7.947 11.233 ( -3.435 -4.890 1.338) 6.124 12.616 ( 8.037 5.507 -9.261) 13.442 12.801 ( 5.755 4.165 8.475) 11.059 12.932 ( 8.563 -5.610 -0.200) 10.239 12.989 ( 3.701 -5.128 3.677) 7.316 16.541 ( 0.896 5.614 6.847) 8.900 16.617 ( 0.015 5.519 8.682) 10.288 17.243 ( 15.204 -3.099 -0.238) 15.518 17.367 ( 6.840 -0.398 6.456) 9.414 17.769 ( -9.237 9.205 -1.684) 13.149 18.022 ( -3.375 2.340 0.657) 4.159 18.383 ( 0.487 -3.807 -4.824) 6.165 18.548 ( -3.123 -3.812 -5.562) 7.431 21.161 ( 1.659 1.427 -3.061) 3.763 21.278 ( 2.789 -0.532 1.954) 3.446 21.590 ( -5.751 -1.857 -6.539) 8.904 21.729 ( -6.966 -4.932 2.584) 8.918 ======================= Grid point 235 (123/170) ======================= q-point: ( 0.36 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -2.750 4.803 -9.365) 10.878 2.310 ( -3.059 2.913 1.992) 4.670 2.492 ( 7.843 2.452 -5.391) 9.828 2.587 ( -2.187 -0.025 -3.314) 3.971 2.755 ( 0.393 7.188 5.087) 8.815 2.795 ( 2.598 -2.147 -0.532) 3.412 2.892 ( -2.640 -2.020 6.655) 7.438 2.930 ( -0.524 -4.577 13.739) 14.490 3.096 ( 2.297 -6.905 -2.636) 7.740 3.271 ( -2.146 -1.027 -2.011) 3.115 3.415 ( -3.382 -3.977 -0.896) 5.297 3.584 ( -2.074 -4.622 2.783) 5.780 3.774 ( -2.412 1.660 -2.243) 3.688 3.907 ( 1.388 -2.409 -2.837) 3.973 4.197 ( -7.237 -5.008 -18.046) 20.078 4.424 ( -4.692 -0.121 -7.837) 9.135 4.488 ( -1.993 1.019 -15.835) 15.992 4.894 ( 1.222 10.292 0.637) 10.384 5.100 ( -3.237 -3.565 0.942) 4.906 5.214 ( 5.936 3.836 -1.083) 7.150 5.273 ( -8.841 -3.212 1.410) 9.511 5.515 ( -2.666 5.335 5.015) 7.792 5.588 ( -0.587 -2.022 4.710) 5.159 5.684 ( 1.143 8.170 -5.276) 9.792 5.806 ( 10.170 -0.406 7.066) 12.390 6.027 ( 0.333 -2.034 -0.946) 2.268 6.229 ( -0.748 -0.780 -0.972) 1.453 6.342 ( 1.407 0.698 2.368) 2.841 7.198 ( 1.811 6.167 4.926) 8.098 7.489 ( 1.799 -0.271 2.652) 3.216 7.741 ( -2.809 12.139 -1.464) 12.546 8.066 ( -2.459 14.126 6.183) 15.615 8.313 ( 8.185 -3.857 -8.741) 12.581 8.526 ( 3.849 -0.220 -5.310) 6.562 9.273 ( -1.417 1.637 -2.161) 3.059 9.456 ( 0.147 -4.089 -2.552) 4.822 9.786 ( -3.381 2.723 -2.991) 5.271 10.041 ( -2.740 -4.634 3.742) 6.556 10.248 ( 3.568 1.436 -4.281) 5.755 10.488 ( -2.751 -4.708 6.978) 8.856 10.635 ( 3.877 7.750 -2.713) 9.080 10.842 ( -2.094 5.846 -0.881) 6.272 11.157 ( -4.481 -5.036 3.840) 7.758 11.191 ( -1.722 -3.665 -0.420) 4.071 12.641 ( 6.547 4.802 -6.378) 10.325 12.891 ( -0.946 -1.695 0.852) 2.120 13.080 ( 6.775 -1.035 5.027) 8.500 13.127 ( 5.916 -2.258 5.923) 8.670 16.634 ( 1.732 7.497 6.956) 10.373 16.743 ( -1.364 5.217 13.532) 14.567 17.358 ( 0.876 18.294 -0.188) 18.316 17.426 ( -9.493 18.675 7.697) 22.318 17.774 ( 11.807 -8.293 0.010) 14.428 18.082 ( 7.061 -8.758 1.539) 11.354 18.311 ( -0.886 -5.230 -6.918) 8.718 18.428 ( -2.200 -2.804 -8.055) 8.808 21.105 ( -1.791 -2.375 -6.508) 7.155 21.242 ( -5.043 -6.698 -6.024) 10.324 21.526 ( 2.109 -0.190 1.085) 2.379 21.670 ( -4.216 -5.065 3.346) 7.391 ======================= Grid point 236 (124/170) ======================= q-point: ( 0.45 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 0.034 0.919 -3.316) 3.441 2.286 ( -3.135 0.119 -0.565) 3.188 2.406 ( -4.344 2.832 -6.948) 8.669 2.597 ( 7.807 1.138 -6.044) 9.939 2.817 ( -1.341 5.402 5.132) 7.571 2.873 ( 4.742 -1.113 1.846) 5.209 2.951 ( 0.477 -0.288 7.123) 7.145 3.039 ( -1.077 -1.621 7.812) 8.051 3.062 ( -4.209 -1.206 -0.428) 4.399 3.196 ( -2.394 3.898 -2.251) 5.098 3.336 ( -2.490 -6.869 -1.028) 7.378 3.580 ( -0.674 -3.049 -1.085) 3.305 3.755 ( 2.583 -3.550 -7.842) 8.987 3.893 ( 2.513 -3.793 -9.782) 10.788 4.016 ( 0.832 -9.107 -2.359) 9.444 4.205 ( -7.693 -13.736 -4.252) 16.308 4.423 ( 12.446 -1.251 -12.661) 17.798 4.784 ( -17.129 -10.777 -8.198) 21.834 5.015 ( 3.596 9.974 4.891) 11.676 5.255 ( -4.373 5.627 4.218) 8.281 5.338 ( 9.197 3.490 1.494) 9.949 5.563 ( -5.882 8.308 8.195) 13.068 5.619 ( -1.556 1.858 6.056) 6.523 5.669 ( 4.822 8.053 -4.364) 10.351 5.953 ( 2.637 0.327 -4.410) 5.148 6.056 ( 1.109 -3.983 6.297) 7.533 6.159 ( -0.406 3.964 -5.958) 7.168 6.347 ( -1.781 0.761 -0.277) 1.956 7.302 ( 2.122 6.542 7.093) 9.880 7.543 ( 1.469 3.557 1.759) 4.231 7.699 ( -1.601 8.169 1.580) 8.473 8.063 ( -4.867 10.745 4.430) 12.601 8.313 ( 3.902 -3.439 -10.304) 11.542 8.475 ( 1.573 2.480 -8.801) 9.278 9.277 ( 2.426 0.272 0.985) 2.633 9.429 ( -0.894 -4.236 -2.284) 4.895 9.738 ( 0.839 -1.231 -1.248) 1.943 9.934 ( -8.104 -6.264 -3.097) 10.701 10.348 ( 7.121 2.980 2.638) 8.158 10.544 ( -1.568 0.388 6.832) 7.021 10.649 ( 3.962 4.587 -5.040) 7.883 10.803 ( -1.976 4.650 -0.530) 5.080 11.111 ( -5.277 -2.732 3.437) 6.864 11.187 ( 1.636 -3.184 -1.067) 3.735 12.689 ( 5.657 2.232 -2.545) 6.592 12.830 ( -5.135 -2.260 -1.967) 5.945 13.223 ( 3.065 1.308 5.903) 6.778 13.262 ( 2.686 -0.467 5.167) 5.842 16.751 ( 2.703 8.167 7.555) 11.449 16.828 ( -4.830 6.022 10.129) 12.735 17.328 ( -8.150 21.541 6.447) 23.916 17.402 ( 1.522 21.799 4.132) 22.239 17.964 ( 7.952 -6.919 -0.418) 10.550 18.157 ( -2.325 -8.657 1.364) 9.067 18.253 ( 3.719 -4.862 -6.409) 8.863 18.324 ( 1.622 -2.212 -7.509) 7.994 21.002 ( 0.408 -8.300 -8.034) 11.559 21.071 ( -4.377 -10.600 -8.756) 14.428 21.605 ( 3.183 -0.548 3.675) 4.892 21.660 ( -2.784 -2.769 3.669) 5.374 ======================= Grid point 237 (125/170) ======================= q-point: (-0.45 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 2.152 -1.231 2.916) 3.828 2.122 ( -7.159 -2.923 -6.025) 9.803 2.366 ( 0.407 6.466 -1.025) 6.559 2.597 ( 2.046 0.361 -7.325) 7.614 2.804 ( -6.420 2.472 4.021) 7.969 2.927 ( -0.633 -2.686 1.496) 3.139 3.023 ( 1.392 -0.392 -0.251) 1.468 3.057 ( 5.138 4.690 4.829) 8.469 3.147 ( 5.738 -0.495 5.765) 8.148 3.171 ( -0.707 -0.407 0.001) 0.816 3.291 ( 1.494 -4.793 -4.562) 6.784 3.547 ( 5.103 -3.359 -8.890) 10.787 3.731 ( 2.876 2.124 -0.994) 3.711 3.828 ( -1.174 -1.794 -7.944) 8.228 3.924 ( -6.999 -9.042 0.591) 11.450 4.231 ( 12.606 -13.163 -4.983) 18.894 4.400 ( -18.351 -7.782 -8.506) 21.672 4.597 ( 17.263 -13.538 -0.902) 21.957 5.138 ( -2.258 8.219 4.904) 9.834 5.207 ( -0.027 11.325 2.548) 11.608 5.449 ( -6.722 6.341 -0.951) 9.290 5.499 ( 2.505 1.643 1.957) 3.578 5.656 ( -4.999 1.007 6.614) 8.352 5.754 ( 4.075 8.862 5.093) 11.004 5.892 ( -0.710 4.609 -4.382) 6.399 6.012 ( -0.976 0.128 -6.087) 6.166 6.216 ( 2.044 -1.044 3.413) 4.113 6.301 ( -0.545 0.439 -2.967) 3.049 7.376 ( -2.794 6.338 5.744) 8.998 7.551 ( -0.667 6.994 -1.578) 7.200 7.756 ( 1.620 1.982 7.733) 8.146 8.035 ( 0.681 5.020 -2.053) 5.466 8.214 ( -4.192 2.505 -4.268) 6.485 8.426 ( 3.810 2.996 -8.510) 9.794 9.339 ( 0.778 -1.541 0.614) 1.832 9.373 ( -0.372 -1.843 -2.306) 2.976 9.749 ( -4.976 -4.261 -0.041) 6.551 9.814 ( 2.291 -3.976 -0.752) 4.650 10.448 ( -0.022 5.187 1.217) 5.328 10.550 ( 1.152 4.240 -1.575) 4.667 10.703 ( 4.384 1.693 1.864) 5.056 10.755 ( -2.438 0.487 -1.134) 2.732 11.095 ( -1.216 -0.738 3.216) 3.516 11.212 ( 3.322 -3.281 -1.348) 4.860 12.691 ( -8.018 0.451 -1.786) 8.227 12.766 ( 4.051 -1.987 0.055) 4.513 13.290 ( -1.692 1.426 3.897) 4.481 13.310 ( -2.321 1.125 2.864) 3.854 16.808 ( -5.815 9.758 5.463) 12.604 16.897 ( 3.709 6.768 6.965) 10.396 17.303 ( -4.172 19.672 7.035) 21.305 17.540 ( 8.978 17.121 4.255) 19.795 17.957 ( -7.203 -5.389 1.968) 9.208 18.090 ( -5.203 -5.580 -2.251) 7.954 18.220 ( 0.849 -0.618 -5.697) 5.793 18.318 ( 3.303 -4.436 -5.759) 7.985 20.950 ( 0.999 -11.090 -6.976) 13.139 20.975 ( 5.765 -11.590 -5.659) 14.127 21.644 ( -3.733 -0.454 2.283) 4.399 21.687 ( 2.503 -1.725 2.804) 4.136 ======================= Grid point 238 (126/170) ======================= q-point: (-0.36 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -7.162 4.947 -1.418) 8.819 2.154 ( -5.382 7.466 5.460) 10.701 2.393 ( 7.788 -2.481 -0.957) 8.229 2.554 ( 2.135 0.105 -4.389) 4.882 2.742 ( -4.450 -0.122 2.153) 4.945 2.923 ( -0.566 -4.195 -0.487) 4.261 3.032 ( -1.104 -1.427 -1.694) 2.475 3.125 ( 0.899 -4.006 -1.425) 4.346 3.246 ( 4.892 -3.416 4.640) 7.558 3.269 ( 4.981 0.126 2.259) 5.471 3.365 ( 11.522 2.501 -1.031) 11.836 3.578 ( 8.270 -1.339 -4.571) 9.543 3.746 ( -0.223 -1.335 -0.981) 1.671 3.750 ( -0.667 -1.813 -4.757) 5.135 3.878 ( 0.564 1.787 2.310) 2.974 4.048 ( -14.822 1.850 -5.579) 15.944 4.388 ( 12.482 -9.453 -4.111) 16.188 4.873 ( 12.776 -13.790 4.928) 19.434 5.025 ( -7.844 10.239 -1.298) 12.964 5.275 ( -6.057 4.835 -5.916) 9.750 5.343 ( 3.154 5.697 6.915) 9.498 5.514 ( -1.985 2.596 -1.082) 3.443 5.640 ( -7.775 0.891 9.913) 12.630 5.776 ( -0.987 3.858 -3.852) 5.540 5.932 ( 2.226 -2.555 2.297) 4.094 5.990 ( 5.660 6.246 -1.945) 8.651 6.191 ( -2.128 1.099 -2.988) 3.829 6.308 ( 0.900 -2.021 0.055) 2.213 7.349 ( -5.417 6.037 2.473) 8.479 7.496 ( -3.608 5.046 -1.363) 6.351 7.851 ( 1.915 3.059 2.817) 4.578 8.030 ( -0.770 -1.135 -3.910) 4.143 8.178 ( 0.613 8.254 7.390) 11.096 8.388 ( 2.463 3.150 -7.772) 8.740 9.275 ( -2.768 -1.091 -2.425) 3.838 9.379 ( -2.364 -3.466 0.403) 4.215 9.688 ( -0.434 0.575 1.201) 1.401 9.901 ( 4.201 -4.659 2.845) 6.888 10.382 ( -4.693 4.519 -2.387) 6.938 10.558 ( 0.935 5.080 -2.513) 5.744 10.721 ( 2.060 -2.166 -1.920) 3.553 10.804 ( 3.873 4.889 2.191) 6.611 11.137 ( 2.343 -1.105 2.341) 3.492 11.263 ( 4.580 -5.062 -0.839) 6.878 12.525 ( -10.577 3.584 -0.773) 11.195 12.828 ( 1.429 -5.935 1.947) 6.408 13.252 ( -6.732 2.130 -0.173) 7.063 13.253 ( -6.141 0.716 0.880) 6.245 16.766 ( -4.212 10.386 1.885) 11.365 17.029 ( 4.059 4.217 4.957) 7.670 17.331 ( -3.379 14.078 5.940) 15.649 17.708 ( 6.237 2.981 -2.857) 7.480 17.878 ( -4.928 2.390 7.176) 9.028 18.006 ( -2.401 0.497 1.916) 3.112 18.133 ( -2.767 0.636 -6.238) 6.853 18.249 ( -2.913 -5.943 -7.514) 10.013 20.954 ( 6.309 -7.407 -2.892) 10.150 21.057 ( 9.087 -10.943 -1.513) 14.304 21.587 ( -5.547 1.947 0.451) 5.896 21.743 ( 2.013 -3.087 0.917) 3.798 ======================= Grid point 239 (127/170) ======================= q-point: (-0.27 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -3.434 13.990 5.714) 15.497 2.076 ( -9.422 14.916 6.083) 18.662 2.539 ( 7.766 -6.200 -0.156) 9.939 2.580 ( 4.124 0.343 -1.352) 4.354 2.730 ( 0.782 -3.527 1.597) 3.950 2.898 ( 1.034 -4.944 -3.305) 6.036 2.974 ( -2.797 -1.541 -0.566) 3.243 3.151 ( 2.765 -7.902 -1.649) 8.533 3.242 ( 0.748 -1.901 -5.971) 6.311 3.378 ( -0.169 0.001 -1.827) 1.834 3.524 ( 7.359 -2.579 -1.863) 8.017 3.592 ( -9.043 -6.413 -0.062) 11.086 3.714 ( 7.649 0.939 7.469) 10.732 3.814 ( 4.442 -5.687 -0.892) 7.271 3.874 ( 2.814 12.367 -0.452) 12.691 3.973 ( 1.847 18.756 6.222) 19.847 4.538 ( 9.903 -0.243 0.514) 9.920 4.906 ( -5.250 10.712 -1.115) 11.981 5.015 ( -1.585 3.237 4.265) 5.584 5.226 ( 4.809 -6.087 -2.764) 8.236 5.369 ( -3.129 3.831 3.419) 6.014 5.539 ( 4.937 -4.308 -0.397) 6.565 5.590 ( -7.835 5.319 2.814) 9.879 5.727 ( -2.357 -8.531 -0.366) 8.858 5.940 ( -0.735 -4.057 -2.046) 4.603 6.030 ( 2.010 1.019 -6.155) 6.555 6.211 ( 7.749 2.481 1.344) 8.247 6.299 ( -2.746 0.707 1.900) 3.413 7.284 ( -3.384 5.235 -1.014) 6.315 7.434 ( -3.799 1.585 1.444) 4.362 7.886 ( 3.104 5.199 -4.485) 7.535 7.926 ( -9.757 1.002 2.521) 10.127 8.266 ( -4.605 3.794 4.466) 7.453 8.375 ( 7.699 6.083 -3.772) 10.512 9.229 ( -1.224 0.102 0.004) 1.229 9.335 ( -3.649 -2.353 2.654) 5.088 9.734 ( 2.272 2.654 2.331) 4.200 9.984 ( 1.150 -5.116 4.334) 6.803 10.293 ( -1.471 4.116 -3.946) 5.889 10.545 ( 1.640 4.271 -2.149) 5.055 10.756 ( 5.384 -2.465 -2.929) 6.606 10.878 ( 3.781 7.703 0.819) 8.620 11.206 ( 4.354 -3.732 -0.335) 5.745 11.331 ( 4.780 -6.188 -0.235) 7.823 12.356 ( -11.705 6.417 2.198) 13.528 12.827 ( -5.468 -8.514 2.142) 10.343 13.105 ( -9.263 2.537 -3.028) 10.070 13.142 ( -6.284 -0.711 -1.447) 6.487 16.718 ( -2.947 6.705 -0.644) 7.353 17.107 ( 2.772 1.018 -2.033) 3.585 17.233 ( -15.290 0.846 1.078) 15.351 17.674 ( -4.418 -6.138 -0.356) 7.571 17.918 ( 7.942 8.412 -10.946) 15.926 18.027 ( -3.105 0.274 1.732) 3.566 18.103 ( -2.330 -0.156 2.921) 3.739 18.169 ( 7.808 3.593 5.331) 10.114 21.054 ( 6.626 -2.003 0.274) 6.927 21.207 ( 8.939 -7.771 2.232) 12.053 21.485 ( -6.851 4.826 -0.663) 8.406 21.779 ( 2.704 -4.359 -0.313) 5.139 ======================= Grid point 240 (128/170) ======================= q-point: (-0.18 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -2.244 17.938 9.385) 20.369 2.048 ( -4.818 19.011 10.141) 22.079 2.552 ( -2.162 0.942 -5.438) 5.927 2.613 ( 2.996 -4.937 -1.180) 5.894 2.845 ( 7.853 -6.794 4.663) 11.383 2.874 ( -0.229 -5.645 -6.031) 8.264 2.947 ( 1.446 -2.297 -2.127) 3.448 3.118 ( -4.635 -3.489 -1.048) 5.896 3.157 ( -3.078 0.614 -2.985) 4.332 3.344 ( 2.050 -5.931 -0.378) 6.286 3.429 ( 2.633 -5.213 -17.160) 18.127 3.585 ( -1.740 -7.883 2.437) 8.433 3.856 ( -0.613 13.632 6.502) 15.116 3.972 ( 5.129 1.479 18.189) 18.956 4.018 ( 4.818 9.111 9.706) 14.157 4.127 ( 8.640 17.568 5.983) 20.471 4.678 ( 4.255 8.240 2.514) 9.608 4.858 ( -0.188 10.021 0.704) 10.047 5.055 ( 2.811 4.912 1.980) 5.996 5.180 ( -2.699 8.584 -3.708) 9.733 5.431 ( 0.418 -0.684 0.011) 0.802 5.495 ( -5.429 2.268 1.966) 6.204 5.592 ( 2.279 -8.082 1.735) 8.574 5.667 ( -2.419 -10.583 -1.919) 11.025 5.868 ( -5.223 -5.287 -1.047) 7.505 5.983 ( 2.953 -2.486 -8.716) 9.532 6.257 ( -1.684 0.288 -1.095) 2.029 6.411 ( 11.676 -3.329 1.788) 12.272 7.230 ( -0.664 3.475 -2.674) 4.435 7.412 ( -2.339 -1.912 2.578) 3.971 7.752 ( -11.866 1.463 0.625) 11.972 7.869 ( -2.260 0.957 -3.504) 4.278 8.204 ( -4.242 8.512 1.420) 9.616 8.455 ( 4.716 6.834 -2.638) 8.712 9.238 ( -0.436 2.047 3.533) 4.107 9.339 ( -1.121 -0.386 4.438) 4.594 9.778 ( -0.670 2.800 2.124) 3.578 10.043 ( -0.513 -5.932 7.189) 9.334 10.271 ( 5.469 7.095 -5.426) 10.473 10.565 ( 3.401 4.375 -1.575) 5.761 10.823 ( 7.099 -3.804 -3.155) 8.650 10.943 ( 3.950 6.870 -0.497) 7.940 11.244 ( 2.682 -6.888 -3.209) 8.058 11.408 ( 5.668 -5.714 -0.999) 8.110 12.213 ( -12.187 7.645 5.984) 15.582 12.700 ( -12.554 -6.946 2.846) 14.627 12.914 ( -8.616 3.129 -5.090) 10.485 13.054 ( -2.474 -4.076 -2.458) 5.364 16.661 ( -2.428 0.039 -1.572) 2.892 16.935 ( -18.179 -5.503 -3.438) 19.302 17.054 ( -0.416 -0.651 -10.580) 10.608 17.500 ( -10.576 -11.228 -10.533) 18.678 17.899 ( 3.966 5.654 -0.579) 6.931 18.114 ( -1.697 -2.738 10.320) 10.811 18.184 ( 13.500 9.717 -0.185) 16.635 18.407 ( 9.907 4.303 6.569) 12.642 21.117 ( 0.828 1.431 -0.610) 1.762 21.322 ( -1.483 -2.256 -2.439) 3.639 21.427 ( 2.668 5.835 6.723) 9.293 21.836 ( 4.462 -4.436 0.645) 6.325 ======================= Grid point 241 (129/170) ======================= q-point: (-0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -3.815 14.564 10.060) 18.107 2.073 ( -6.184 18.965 6.869) 21.098 2.458 ( -1.442 2.732 -6.298) 7.015 2.632 ( 2.636 -4.004 -2.120) 5.242 2.780 ( -0.196 -5.172 -5.719) 7.713 2.896 ( -1.797 -1.401 -4.368) 4.926 3.015 ( 2.747 -6.283 -2.035) 7.153 3.073 ( 3.865 -7.802 -2.436) 9.041 3.154 ( -0.908 3.546 10.880) 11.479 3.263 ( 2.152 -8.157 -12.145) 14.788 3.403 ( 2.196 -1.424 -2.096) 3.353 3.644 ( 6.373 -7.748 3.593) 10.656 3.939 ( -1.774 21.527 12.750) 25.082 4.181 ( 2.554 9.081 8.642) 12.794 4.235 ( -1.192 -0.048 20.287) 20.322 4.336 ( 7.519 14.829 9.272) 19.037 4.758 ( 2.069 11.136 4.728) 12.274 4.870 ( -0.509 10.655 -0.014) 10.667 5.084 ( 0.901 8.006 -2.782) 8.524 5.128 ( -0.632 3.682 -2.390) 4.435 5.328 ( -5.802 10.890 -5.499) 13.509 5.420 ( -2.523 1.798 -3.852) 4.943 5.661 ( -0.429 -7.929 3.451) 8.658 5.685 ( -0.127 -9.137 7.103) 11.574 5.794 ( 0.920 -3.321 -3.090) 4.629 5.938 ( 1.477 -5.035 -5.012) 7.256 6.202 ( -2.040 -2.425 -3.399) 4.647 6.558 ( 8.363 -9.896 -6.568) 14.526 7.213 ( 1.986 1.258 -2.058) 3.124 7.382 ( -3.962 -4.585 -0.894) 6.125 7.605 ( -8.671 0.454 4.952) 9.996 7.781 ( -1.908 -3.418 -3.503) 5.253 8.182 ( -1.360 12.147 1.676) 12.338 8.458 ( 1.539 7.109 -5.358) 9.035 9.269 ( -1.920 3.914 4.776) 6.467 9.383 ( -0.115 -0.251 4.422) 4.431 9.766 ( -2.619 5.004 2.822) 6.314 10.131 ( -0.230 -0.345 7.139) 7.151 10.340 ( 11.341 7.190 -5.632) 14.561 10.611 ( 2.107 1.533 1.295) 2.909 10.868 ( 1.307 3.299 -4.328) 5.597 10.988 ( 5.814 -4.015 -3.576) 7.919 11.230 ( 0.031 -7.189 -2.522) 7.619 11.463 ( 3.571 -7.260 -4.036) 9.041 12.118 ( -9.438 7.946 9.651) 15.663 12.570 ( -8.460 -5.163 5.875) 11.522 12.745 ( -4.692 4.451 -5.713) 8.629 12.989 ( -1.557 -5.521 -4.142) 7.076 16.613 ( -1.644 -6.487 -1.984) 6.980 16.661 ( -9.735 -7.241 -3.090) 12.520 16.900 ( -3.198 -2.230 -10.479) 11.180 17.187 ( -9.150 -10.468 -15.254) 20.639 18.020 ( 5.440 5.178 6.657) 10.036 18.197 ( -1.066 -0.699 8.125) 8.224 18.401 ( 12.650 8.128 -0.099) 15.036 18.578 ( 3.791 3.167 3.312) 5.948 21.084 ( -1.632 2.733 -2.173) 3.854 21.220 ( -3.846 2.628 -4.060) 6.179 21.596 ( 4.050 4.114 9.642) 11.238 21.918 ( 3.640 -2.826 1.424) 4.823 ======================= Grid point 242 (130/170) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -3.976 5.794 -3.788) 7.984 2.220 ( -4.976 -5.242 -6.065) 9.436 2.429 ( -0.203 8.780 0.603) 8.803 2.571 ( 0.313 -4.470 1.421) 4.701 2.768 ( 0.553 2.036 -6.627) 6.954 2.818 ( 1.756 7.224 3.633) 8.274 2.889 ( 2.488 -7.365 -8.698) 11.666 2.981 ( 2.378 -7.046 3.149) 8.076 3.092 ( -1.045 0.880 -4.643) 4.840 3.182 ( -1.148 -6.008 -1.798) 6.376 3.600 ( 8.791 5.771 7.241) 12.768 3.694 ( 6.057 -3.904 3.494) 8.008 4.274 ( 0.294 0.755 10.565) 10.596 4.303 ( -4.802 -2.372 9.835) 11.199 4.684 ( -5.408 21.272 11.914) 24.974 4.811 ( 4.904 14.521 10.571) 18.619 4.896 ( -6.705 -2.119 11.963) 13.877 5.013 ( 1.084 2.368 2.037) 3.306 5.177 ( -5.703 7.350 1.834) 9.482 5.197 ( -2.266 9.035 -7.252) 11.805 5.301 ( 4.606 -0.670 -1.236) 4.816 5.440 ( -3.130 -13.642 2.466) 14.212 5.490 ( -0.368 0.631 1.370) 1.553 5.632 ( 2.996 -12.091 -2.146) 12.640 5.739 ( 3.101 12.139 -3.029) 12.890 5.945 ( 5.387 -4.811 -0.929) 7.282 6.077 ( -2.831 3.489 -8.122) 9.281 6.251 ( -1.210 -13.655 -13.431) 19.191 7.231 ( -2.944 -0.009 -0.140) 2.947 7.238 ( -1.948 -0.930 -0.265) 2.175 7.594 ( 2.106 1.427 1.516) 2.961 7.663 ( 3.846 -5.345 -1.634) 6.784 8.377 ( -0.512 7.579 -1.262) 7.700 8.459 ( -0.269 -0.701 -5.137) 5.191 9.365 ( -1.804 3.093 5.196) 6.310 9.405 ( -1.247 -1.154 4.217) 4.546 9.992 ( 0.363 11.230 10.725) 15.533 10.186 ( 1.295 -7.301 11.343) 13.551 10.575 ( 5.419 8.918 -11.819) 15.766 10.683 ( 0.519 2.843 0.370) 2.913 10.808 ( -5.334 -0.806 -6.179) 8.203 10.879 ( 4.843 -7.537 -1.849) 9.148 11.129 ( -2.327 1.786 -2.612) 3.928 11.245 ( -2.422 -8.575 -5.507) 10.475 12.307 ( 0.005 7.557 8.181) 11.137 12.446 ( -0.252 -6.867 4.693) 8.321 12.754 ( 0.315 4.456 -3.457) 5.649 12.834 ( 0.121 -4.114 -4.377) 6.008 16.435 ( -0.393 -3.513 -0.774) 3.618 16.440 ( -1.179 -4.033 -0.994) 4.317 16.752 ( -1.538 1.504 -9.583) 9.822 16.812 ( -1.099 -4.782 -11.993) 12.958 18.224 ( 1.214 2.276 6.671) 7.152 18.254 ( 0.869 -0.817 5.587) 5.713 18.639 ( 2.222 2.396 0.798) 3.364 18.646 ( -1.475 1.670 0.478) 2.279 21.106 ( 0.700 2.506 -2.711) 3.757 21.143 ( -0.113 -1.114 -4.255) 4.400 21.830 ( 0.036 5.055 6.822) 8.491 21.914 ( -0.015 -3.489 2.927) 4.554 ======================= Grid point 243 (131/170) ======================= q-point: ( 0.09 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 1.402 1.425 3.610) 4.127 2.131 ( 0.232 -4.715 -2.090) 5.163 2.458 ( 0.404 8.312 3.186) 8.911 2.587 ( 0.276 -3.681 0.731) 3.763 2.721 ( 1.791 2.439 -4.942) 5.795 2.838 ( 4.233 -4.434 -7.210) 9.463 2.877 ( -1.303 5.316 2.748) 6.124 3.011 ( 2.280 1.404 -4.062) 4.865 3.037 ( -4.313 -4.657 1.305) 6.480 3.161 ( 2.318 -7.976 -2.087) 8.564 3.662 ( -7.161 2.433 -4.919) 9.022 3.691 ( -4.058 -0.362 -0.946) 4.182 4.306 ( -2.138 6.208 4.929) 8.211 4.445 ( 6.258 -7.901 6.606) 12.051 4.715 ( -9.665 10.144 9.059) 16.685 4.802 ( -10.481 4.423 5.457) 12.617 4.969 ( -3.893 11.338 1.357) 12.064 5.043 ( -6.142 2.047 1.074) 6.563 5.053 ( -4.369 13.545 13.963) 19.938 5.182 ( 4.588 7.964 -1.112) 9.258 5.368 ( 2.884 1.601 -2.784) 4.316 5.435 ( -2.115 -11.775 7.245) 13.986 5.546 ( 6.380 4.395 -3.255) 8.403 5.622 ( 1.146 -5.553 -1.538) 5.875 5.803 ( 5.566 -0.925 1.573) 5.858 5.960 ( -1.435 1.923 -5.620) 6.110 5.998 ( 1.017 -3.324 0.917) 3.595 6.039 ( -3.505 -14.417 -16.271) 22.021 7.182 ( -2.123 2.475 0.937) 3.392 7.245 ( 0.580 -3.649 1.512) 3.992 7.704 ( 10.420 1.634 -0.711) 10.571 7.759 ( 10.680 -3.935 -2.807) 11.723 8.361 ( -1.241 5.009 0.850) 5.230 8.401 ( -0.884 1.020 -3.167) 3.443 9.401 ( -0.663 2.485 4.786) 5.434 9.432 ( -0.389 -0.762 2.902) 3.026 10.107 ( -1.398 13.061 10.327) 16.710 10.293 ( 1.113 1.178 2.143) 2.687 10.451 ( -7.400 -1.885 -3.303) 8.320 10.563 ( -5.429 -5.260 -11.770) 13.989 10.785 ( 2.315 8.260 1.677) 8.741 10.888 ( -0.304 -1.984 -4.280) 4.727 11.091 ( -1.713 -3.363 3.393) 5.075 11.153 ( -2.492 -8.194 -3.174) 9.134 12.444 ( 5.914 4.581 7.344) 10.483 12.526 ( 6.252 -3.824 0.585) 7.352 12.752 ( 2.470 2.519 -1.387) 3.790 12.806 ( 2.688 -2.925 -4.722) 6.171 16.465 ( 5.246 0.942 -0.893) 5.404 16.526 ( 11.730 -5.297 0.242) 12.873 16.659 ( -1.310 1.704 -3.339) 3.971 16.750 ( 5.501 -7.636 -4.285) 10.340 18.258 ( -2.726 4.588 1.788) 5.629 18.320 ( 1.526 -1.971 1.995) 3.192 18.550 ( -9.760 6.331 -0.241) 11.636 18.634 ( -4.112 -2.335 0.567) 4.762 21.118 ( 3.478 1.200 -1.608) 4.015 21.132 ( 3.643 -0.135 -2.324) 4.323 21.853 ( -5.239 2.408 4.549) 7.344 21.892 ( -5.225 -1.557 0.516) 5.477 ======================= Grid point 244 (132/170) ======================= q-point: ( 0.18 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 3.083 -1.645 4.041) 5.342 2.200 ( 5.230 -3.858 8.163) 10.434 2.500 ( 0.999 7.359 2.296) 7.773 2.600 ( 0.551 0.124 1.260) 1.380 2.721 ( 2.167 2.758 -1.280) 3.734 2.830 ( -3.838 0.580 -1.474) 4.152 2.846 ( 3.974 -3.108 -5.750) 7.649 2.951 ( -6.205 -6.747 -1.651) 9.314 2.997 ( 0.134 8.104 -2.295) 8.423 3.180 ( 1.071 -9.274 -1.805) 9.509 3.477 ( -5.557 2.720 -5.576) 8.329 3.542 ( -6.790 -4.093 -3.741) 8.767 4.306 ( -5.022 12.632 2.226) 13.775 4.468 ( -12.620 5.896 -1.948) 14.065 4.578 ( -5.780 -4.510 -0.107) 7.332 4.699 ( -13.615 -6.328 3.666) 15.455 4.888 ( -1.391 9.572 -3.730) 10.367 4.989 ( -1.245 0.210 2.148) 2.492 5.150 ( 0.493 13.269 8.754) 15.904 5.293 ( 1.319 5.540 4.036) 6.980 5.308 ( -2.859 4.241 -3.897) 6.430 5.463 ( -0.524 -4.765 0.930) 4.883 5.533 ( -0.709 1.814 -1.845) 2.683 5.658 ( -3.340 -8.915 -3.487) 10.139 5.824 ( 3.683 -1.955 -9.733) 10.589 5.909 ( 6.904 -7.084 -7.446) 12.381 5.989 ( 3.406 1.404 10.283) 10.923 6.057 ( 3.963 -3.916 4.404) 7.102 7.190 ( 0.830 4.638 2.021) 5.127 7.287 ( 1.911 -5.215 2.564) 6.117 7.873 ( 12.209 3.294 -2.714) 12.933 7.917 ( 13.435 -1.108 -3.099) 13.833 8.344 ( -2.646 3.756 1.107) 4.726 8.380 ( -0.006 -0.103 1.153) 1.158 9.436 ( -0.410 1.110 1.657) 2.036 9.451 ( 0.180 -0.313 0.750) 0.832 10.133 ( -8.165 11.993 5.485) 15.510 10.198 ( -4.207 9.601 -9.551) 14.181 10.341 ( -3.803 -6.318 -5.588) 9.252 10.407 ( -4.871 -10.184 2.966) 11.672 10.788 ( -0.979 7.420 -2.649) 7.939 10.870 ( 1.423 0.764 1.724) 2.362 11.098 ( -2.468 -4.886 0.804) 5.533 11.124 ( -0.667 -6.130 3.321) 7.004 12.635 ( 9.233 2.066 1.776) 9.626 12.646 ( 10.343 0.995 -0.030) 10.391 12.789 ( 2.474 -0.104 0.662) 2.563 12.819 ( 3.839 -3.149 -1.724) 5.256 16.554 ( 3.606 5.945 3.499) 7.784 16.639 ( -0.662 0.914 3.157) 3.353 16.793 ( 20.534 -3.180 0.638) 20.789 16.909 ( 16.751 -11.165 0.857) 20.149 18.176 ( -7.859 9.046 -1.568) 12.086 18.306 ( -7.045 -3.393 -1.083) 7.894 18.389 ( -5.688 8.415 -1.098) 10.217 18.547 ( -5.717 -6.621 -1.177) 8.826 21.167 ( 4.444 1.682 -1.314) 4.930 21.193 ( 4.456 -0.785 0.437) 4.546 21.760 ( -9.184 0.462 -1.346) 9.294 21.778 ( -8.952 -1.335 0.840) 9.089 ======================= Grid point 245 (133/170) ======================= q-point: ( 0.27 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 1.665 1.085 3.404) 3.941 2.331 ( 0.882 -5.030 2.717) 5.785 2.564 ( 3.452 7.321 4.480) 9.251 2.627 ( 0.183 8.069 -3.693) 8.875 2.697 ( -2.396 -2.339 4.179) 5.355 2.778 ( -3.426 -5.510 -0.958) 6.558 2.814 ( 1.580 0.742 -2.037) 2.682 2.900 ( 3.919 -3.189 -3.135) 5.946 2.970 ( -1.650 4.148 1.172) 4.616 3.138 ( -1.774 -10.339 -2.787) 10.854 3.406 ( 0.719 2.552 -1.599) 3.096 3.478 ( 0.428 -4.860 -0.114) 4.880 4.165 ( -13.482 10.585 -4.632) 17.756 4.190 ( -15.264 14.706 -0.352) 21.199 4.375 ( -12.552 -9.454 -9.943) 18.595 4.488 ( -16.513 -14.258 1.367) 21.859 4.838 ( 1.137 13.410 -8.674) 16.011 5.024 ( 0.977 -4.630 1.239) 4.892 5.118 ( -2.469 8.698 -9.967) 13.457 5.245 ( 2.506 4.571 -2.636) 5.841 5.332 ( -5.941 -2.929 -0.966) 6.693 5.456 ( 0.745 -7.321 5.288) 9.062 5.541 ( 0.443 2.390 5.460) 5.977 5.594 ( 1.134 -2.658 4.868) 5.661 5.831 ( 5.891 5.587 -7.289) 10.911 5.938 ( 5.631 -5.138 -5.900) 9.640 6.164 ( 4.644 1.703 7.751) 9.194 6.215 ( 5.250 -2.806 7.041) 9.220 7.244 ( 2.135 6.130 3.301) 7.283 7.356 ( 2.502 -5.274 3.473) 6.792 7.985 ( 6.125 8.611 -4.108) 11.338 8.100 ( 13.880 -2.012 -4.343) 14.683 8.309 ( -3.934 5.313 2.214) 6.972 8.417 ( 2.640 -4.547 1.434) 5.450 9.399 ( -2.768 2.157 -3.343) 4.847 9.440 ( -1.328 -2.135 -2.181) 3.328 10.015 ( -8.364 5.143 -4.307) 10.721 10.035 ( -5.448 2.751 0.541) 6.127 10.279 ( 1.421 0.758 -4.111) 4.415 10.369 ( -4.399 -7.489 3.799) 9.480 10.776 ( 1.454 9.417 -0.316) 9.534 10.912 ( 0.906 -2.071 1.542) 2.736 11.075 ( -2.091 -1.734 1.526) 3.116 11.134 ( -2.368 -5.260 2.559) 6.311 12.716 ( 7.652 5.215 -7.764) 12.084 12.819 ( 6.173 -5.493 -5.095) 9.708 12.871 ( 7.029 2.565 8.787) 11.541 12.919 ( 5.246 -2.616 7.160) 9.253 16.652 ( 1.489 5.465 7.216) 9.174 16.700 ( -0.279 1.611 8.983) 9.130 17.164 ( 24.641 -1.129 1.131) 24.692 17.248 ( 21.283 -8.309 4.068) 23.207 17.995 ( -11.303 11.717 -2.362) 16.451 18.127 ( -11.061 1.530 -0.614) 11.183 18.325 ( -1.600 1.229 -4.139) 4.604 18.443 ( -4.138 -7.230 -3.511) 9.040 21.195 ( 0.719 2.231 -3.488) 4.202 21.244 ( 0.850 -2.685 -1.709) 3.294 21.588 ( -8.031 1.613 -1.797) 8.387 21.643 ( -8.488 -3.946 1.442) 9.470 ======================= Grid point 246 (134/170) ======================= q-point: ( 0.36 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -4.223 4.889 -5.266) 8.334 2.318 ( -2.932 -2.915 -0.460) 4.160 2.549 ( 2.901 4.850 -7.312) 9.242 2.609 ( -2.538 0.163 -2.343) 3.458 2.759 ( 6.482 0.303 1.809) 6.737 2.829 ( 2.024 -5.238 10.932) 12.290 2.893 ( 1.324 1.468 4.650) 5.052 2.906 ( 0.652 5.368 1.764) 5.688 2.986 ( 1.214 -1.851 0.568) 2.285 3.121 ( 3.742 -10.546 -1.777) 11.330 3.421 ( -0.583 3.054 1.380) 3.402 3.496 ( -0.564 -4.598 1.721) 4.942 3.879 ( -10.698 7.974 -6.454) 14.822 3.981 ( -10.780 9.430 -1.279) 14.379 4.050 ( -10.788 -9.313 -12.973) 19.272 4.213 ( -17.161 -13.713 -1.566) 22.023 4.673 ( -1.352 11.376 -18.538) 21.792 4.898 ( -8.984 -11.748 -13.138) 19.782 5.092 ( 3.329 7.279 1.258) 8.103 5.192 ( 4.194 -2.792 -0.043) 5.039 5.384 ( 0.249 8.135 6.471) 10.398 5.518 ( -1.419 -5.413 6.832) 8.831 5.634 ( 2.531 6.464 7.683) 10.355 5.747 ( 6.167 -4.935 7.252) 10.723 5.840 ( 4.596 7.024 -5.897) 10.259 5.953 ( 3.950 -5.002 -5.020) 8.113 6.266 ( 1.437 3.466 1.462) 4.027 6.326 ( 1.714 -2.292 2.491) 3.794 7.327 ( 2.445 6.923 5.302) 9.057 7.441 ( 2.438 -4.603 4.809) 7.089 7.975 ( -0.257 12.019 -4.987) 13.015 8.180 ( 1.748 -9.048 -6.400) 11.220 8.311 ( 3.189 10.714 1.181) 11.240 8.472 ( 3.808 -5.759 -2.302) 7.277 9.315 ( -2.023 2.749 -2.777) 4.400 9.378 ( -1.532 -3.864 -2.893) 5.064 9.861 ( -6.060 4.811 -3.428) 8.463 9.954 ( -5.689 -4.701 -1.644) 7.561 10.299 ( 3.884 3.884 1.485) 5.690 10.389 ( 1.099 -5.330 5.182) 7.515 10.798 ( 1.535 8.731 -1.515) 8.993 10.913 ( -1.711 -0.725 -0.752) 2.005 11.071 ( -1.378 -1.735 2.578) 3.399 11.115 ( -2.021 -4.134 1.319) 4.786 12.731 ( 4.326 4.779 -5.767) 8.649 12.823 ( 1.382 -4.690 -3.885) 6.245 13.084 ( 6.850 0.867 8.146) 10.679 13.100 ( 6.286 -0.891 7.737) 10.009 16.760 ( 0.767 5.270 9.138) 10.577 16.808 ( -1.253 0.751 11.731) 11.821 17.542 ( 19.089 3.443 0.503) 19.403 17.614 ( 17.956 -3.498 5.002) 18.965 17.805 ( -9.702 13.938 -0.914) 17.007 17.999 ( -2.929 -3.874 0.216) 4.862 18.236 ( -3.300 0.699 -4.451) 5.585 18.340 ( -3.294 -6.483 -4.601) 8.605 21.078 ( -5.487 0.093 -9.543) 11.008 21.124 ( -6.725 -4.805 -9.655) 12.710 21.541 ( -0.419 1.690 4.093) 4.448 21.589 ( -2.799 -3.409 4.650) 6.409 ======================= Grid point 247 (135/170) ======================= q-point: ( 0.45 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -3.324 4.671 -5.224) 7.756 2.207 ( -5.716 -5.938 -5.877) 10.123 2.525 ( 1.959 6.240 -4.296) 7.825 2.594 ( 4.203 -1.397 -5.064) 6.728 2.865 ( 2.816 0.627 0.977) 3.046 2.881 ( -2.737 0.555 2.209) 3.560 2.955 ( 1.451 0.465 6.749) 6.918 2.998 ( 0.698 -3.075 7.449) 8.089 3.061 ( 5.660 4.197 1.955) 7.313 3.182 ( 3.615 -7.591 -0.479) 8.421 3.341 ( -8.451 8.069 -0.672) 11.704 3.483 ( -2.597 -6.554 -1.198) 7.151 3.751 ( 0.900 2.475 -4.395) 5.123 3.828 ( -0.576 -3.604 -6.333) 7.309 3.881 ( -0.984 -2.588 -0.825) 2.889 3.968 ( -9.317 -9.702 -1.312) 13.515 4.455 ( 0.645 4.193 -17.811) 18.309 4.583 ( -9.542 -9.187 -15.302) 20.239 5.201 ( 4.680 8.582 5.704) 11.318 5.311 ( 5.808 -2.078 4.932) 7.898 5.431 ( -2.420 7.082 4.734) 8.856 5.551 ( -4.852 -4.804 7.119) 9.864 5.757 ( 0.138 8.364 7.535) 11.259 5.814 ( 3.977 5.441 -6.379) 9.280 5.920 ( 5.481 -3.560 2.367) 6.951 5.949 ( 1.381 -5.575 -2.666) 6.332 6.256 ( -0.889 5.028 -2.342) 5.618 6.330 ( -1.411 -2.520 -1.064) 3.078 7.431 ( 1.211 6.560 7.504) 10.040 7.532 ( 0.618 -3.613 6.872) 7.788 7.899 ( -0.491 11.324 -6.284) 12.960 8.089 ( -1.827 -7.542 -7.341) 10.682 8.356 ( 1.702 7.437 -1.788) 7.836 8.469 ( 1.440 -3.404 -4.930) 6.162 9.298 ( 1.622 2.031 -0.075) 2.601 9.353 ( 0.702 -3.604 -1.162) 3.851 9.750 ( -3.287 2.505 -2.682) 4.927 9.825 ( -6.048 -5.096 -3.418) 8.615 10.421 ( 6.327 4.461 4.704) 9.058 10.504 ( 4.379 -3.788 6.759) 8.900 10.762 ( -2.064 6.269 -4.404) 7.934 10.844 ( -4.451 -1.273 -2.626) 5.322 11.080 ( -0.942 0.313 2.771) 2.943 11.122 ( 1.342 -3.355 0.530) 3.652 12.732 ( 2.093 2.443 -3.118) 4.480 12.782 ( -1.756 -2.705 -2.931) 4.358 13.247 ( 2.972 0.997 6.852) 7.535 13.258 ( 3.054 -0.208 6.556) 7.236 16.873 ( 0.063 4.438 9.830) 10.785 16.903 ( -2.674 1.432 10.843) 11.260 17.665 ( -5.116 10.418 -1.218) 11.670 17.691 ( 3.059 6.253 -1.302) 7.081 17.912 ( 9.775 3.819 3.705) 11.129 18.050 ( 2.669 -4.779 1.287) 5.623 18.158 ( 0.131 -0.995 -1.029) 1.437 18.252 ( -1.241 -5.831 -3.373) 6.849 20.884 ( -2.589 -3.191 -11.241) 11.969 20.907 ( -4.182 -5.634 -11.437) 13.418 21.602 ( 0.977 0.300 4.663) 4.774 21.619 ( -1.020 -1.510 4.749) 5.087 ======================= Grid point 248 (136/170) ======================= q-point: (-0.45 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 2.405 -0.136 -0.947) 2.588 2.077 ( -1.332 -1.676 -4.151) 4.671 2.491 ( -1.003 5.835 -3.779) 7.024 2.575 ( 1.033 -2.840 -6.034) 6.749 2.841 ( -4.904 1.973 2.132) 5.700 2.882 ( -2.722 -2.224 2.044) 4.066 3.010 ( -1.997 1.345 2.098) 3.194 3.086 ( -0.694 -5.483 2.067) 5.901 3.152 ( 5.150 3.350 0.828) 6.199 3.184 ( 0.113 0.199 3.445) 3.453 3.298 ( 5.330 6.147 -1.457) 8.265 3.441 ( 4.080 -7.348 -4.265) 9.424 3.767 ( 1.170 0.862 -1.573) 2.141 3.796 ( 1.238 -1.922 -5.201) 5.681 3.860 ( 1.902 3.330 2.476) 4.565 3.995 ( 8.205 -10.376 -1.004) 13.266 4.299 ( -5.286 -1.482 -12.436) 13.594 4.374 ( 9.823 -8.940 -8.314) 15.669 5.311 ( -2.885 9.328 5.757) 11.335 5.405 ( -0.149 8.425 2.548) 8.804 5.460 ( -0.485 -5.273 6.474) 8.364 5.503 ( -5.552 -1.752 1.274) 5.959 5.729 ( -3.397 6.428 -2.018) 7.545 5.842 ( -0.868 -3.345 -0.810) 3.550 5.936 ( 1.908 4.741 0.296) 5.119 6.014 ( 2.231 -1.883 2.082) 3.586 6.225 ( -0.288 2.631 -0.930) 2.806 6.282 ( -0.922 -2.385 -3.260) 4.143 7.497 ( -4.163 6.110 7.420) 10.475 7.589 ( -4.369 -2.737 7.098) 8.773 7.857 ( 4.331 8.082 -5.221) 10.552 8.001 ( 2.984 -6.091 -8.836) 11.139 8.334 ( -2.465 7.252 0.236) 7.663 8.432 ( 0.591 -2.596 -4.220) 4.989 9.326 ( -0.186 0.274 -0.577) 0.665 9.344 ( 0.210 -1.351 -1.512) 2.039 9.706 ( -1.372 -0.004 -0.496) 1.459 9.742 ( 1.496 -3.298 -1.311) 3.852 10.563 ( 2.789 6.408 3.254) 7.709 10.631 ( 0.919 2.867 2.671) 4.025 10.688 ( 2.437 -1.964 -1.454) 3.451 10.729 ( -4.213 -3.016 -2.679) 5.833 11.104 ( 0.551 1.684 1.682) 2.443 11.151 ( 1.925 -3.030 -0.355) 3.607 12.705 ( -4.409 1.019 -1.487) 4.764 12.731 ( -0.103 -1.677 -0.761) 1.844 13.316 ( -2.025 1.098 4.112) 4.714 13.325 ( -1.982 0.240 3.799) 4.291 16.950 ( -3.587 4.916 7.761) 9.862 16.980 ( -0.166 1.748 8.549) 8.728 17.594 ( -4.463 9.565 0.894) 10.593 17.698 ( -0.103 -1.828 -2.232) 2.887 17.970 ( -3.384 6.796 4.872) 9.021 18.037 ( -1.978 -0.273 -0.230) 2.010 18.199 ( 2.045 -0.894 -1.787) 2.859 18.240 ( 1.605 -3.999 -3.178) 5.354 20.788 ( 4.194 -4.743 -8.449) 10.558 20.798 ( 5.744 -5.789 -8.099) 11.493 21.643 ( -1.599 0.359 2.964) 3.387 21.658 ( 0.520 -1.232 3.093) 3.370 ======================= Grid point 249 (137/170) ======================= q-point: (-0.36 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 2.309 7.007 0.890) 7.431 2.177 ( 7.043 -4.580 4.402) 9.485 2.424 ( -1.386 5.214 -3.872) 6.640 2.520 ( -0.367 -4.036 -3.338) 5.250 2.783 ( -3.698 4.592 1.489) 6.081 2.858 ( -2.586 -2.740 1.785) 4.170 2.972 ( -3.019 -2.315 -0.524) 3.841 3.017 ( -5.955 -6.488 1.104) 8.875 3.254 ( 7.658 3.281 -2.669) 8.749 3.297 ( 5.572 -0.009 2.644) 6.167 3.414 ( 7.964 4.296 0.908) 9.094 3.517 ( 6.553 -5.121 1.144) 8.395 3.699 ( -3.596 -1.527 -8.867) 9.689 3.714 ( -1.634 -2.590 -6.302) 7.006 3.948 ( 7.462 7.898 0.319) 10.870 4.157 ( 14.975 -11.381 -1.340) 18.857 4.241 ( 6.421 13.340 0.448) 14.812 4.556 ( 14.394 -17.799 2.130) 22.990 5.216 ( -8.589 8.897 -0.419) 12.373 5.331 ( -8.858 -2.048 -2.975) 9.566 5.467 ( -0.772 7.542 4.740) 8.941 5.552 ( -1.023 -0.889 5.837) 5.993 5.642 ( -7.640 3.606 1.517) 8.583 5.767 ( -3.836 -7.186 -4.284) 9.204 5.969 ( 1.002 6.493 -1.150) 6.670 6.052 ( 2.088 -0.801 -2.185) 3.126 6.212 ( -0.090 2.062 0.010) 2.064 6.265 ( 0.738 -2.762 0.972) 3.019 7.463 ( -7.209 5.606 3.790) 9.888 7.537 ( -7.711 -1.360 2.410) 8.192 7.911 ( 5.484 4.026 -1.647) 7.000 7.988 ( 2.955 -3.382 -4.364) 6.262 8.319 ( -0.734 6.145 3.024) 6.888 8.399 ( 0.338 -2.006 -2.805) 3.465 9.278 ( -2.447 1.238 -1.356) 3.060 9.318 ( -2.434 -2.819 -0.621) 3.776 9.725 ( 3.165 3.319 1.288) 4.763 9.806 ( 4.519 -4.962 1.533) 6.884 10.487 ( -4.816 6.167 -3.905) 8.744 10.592 ( -3.999 -3.690 -3.844) 6.662 10.735 ( 6.096 5.514 1.559) 8.366 10.832 ( 6.526 -2.575 3.522) 7.850 11.129 ( 1.173 0.901 0.314) 1.512 11.175 ( 2.183 -3.752 -0.569) 4.378 12.608 ( -6.904 5.060 0.247) 8.563 12.713 ( -2.748 -5.964 1.197) 6.675 13.273 ( -6.559 0.952 0.600) 6.655 13.278 ( -6.615 0.533 0.279) 6.642 16.946 ( -4.623 8.288 2.950) 9.938 17.055 ( -0.369 -2.284 4.466) 5.029 17.501 ( -12.171 5.819 3.959) 14.059 17.621 ( -8.489 -6.848 2.639) 11.222 18.026 ( 5.170 6.500 -1.370) 8.417 18.055 ( 4.477 3.387 4.677) 7.307 18.142 ( -3.170 0.292 -5.600) 6.441 18.171 ( -2.804 -2.686 -6.266) 7.371 20.852 ( 11.180 -2.418 -2.762) 11.767 20.887 ( 11.843 -6.046 -2.319) 13.498 21.630 ( -2.674 2.591 0.815) 3.812 21.684 ( -0.034 -3.035 0.924) 3.173 ======================= Grid point 250 (138/170) ======================= q-point: (-0.27 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 3.798 13.478 5.111) 14.906 2.306 ( 0.425 5.421 4.780) 7.240 2.411 ( 4.895 -4.025 -1.105) 6.433 2.520 ( 2.973 -7.062 1.310) 7.773 2.764 ( -0.787 6.928 -2.428) 7.383 2.838 ( -1.393 -0.191 2.079) 2.510 2.897 ( -4.698 -4.869 -1.203) 6.872 2.978 ( -1.047 -9.720 1.477) 9.888 3.279 ( 3.981 5.087 -10.285) 12.145 3.383 ( 5.237 -1.675 -2.852) 6.194 3.434 ( -4.155 -3.396 -11.529) 12.717 3.483 ( -5.457 -4.554 0.676) 7.140 3.717 ( 7.128 0.298 8.797) 11.326 3.740 ( 7.011 -2.049 5.503) 9.145 4.135 ( 13.982 15.517 1.515) 20.942 4.382 ( 6.032 12.919 5.295) 15.210 4.434 ( 17.575 -2.549 2.305) 17.908 4.805 ( 10.468 -19.426 5.922) 22.847 5.101 ( -4.118 7.750 -0.454) 8.788 5.190 ( -3.425 -0.772 -3.625) 5.047 5.476 ( -3.874 3.799 4.400) 6.985 5.510 ( -7.784 6.517 -0.934) 10.195 5.584 ( -3.927 -4.419 5.220) 7.886 5.649 ( -5.169 -5.830 -3.271) 8.450 5.928 ( -0.985 3.830 -5.687) 6.927 6.009 ( 0.309 -3.201 -7.557) 8.213 6.259 ( 3.456 2.471 1.724) 4.586 6.296 ( -0.121 -1.206 2.831) 3.079 7.381 ( -5.614 4.534 0.383) 7.226 7.440 ( -6.513 -1.344 1.294) 6.775 7.937 ( -6.708 0.461 -0.591) 6.750 7.938 ( -0.693 0.646 -2.281) 2.470 8.357 ( 0.072 4.884 2.165) 5.343 8.420 ( 5.878 -1.067 -0.755) 6.022 9.249 ( -0.810 1.719 1.345) 2.329 9.288 ( -1.511 -2.370 2.242) 3.595 9.796 ( 2.141 3.865 2.626) 5.140 9.881 ( 1.249 -5.120 3.039) 6.083 10.402 ( 0.283 6.886 -3.788) 7.864 10.530 ( 1.576 -5.636 -2.980) 6.568 10.817 ( 4.171 8.223 -1.775) 9.390 10.954 ( 5.861 -2.648 0.400) 6.444 11.144 ( 1.579 0.452 -1.226) 2.049 11.220 ( 3.761 -5.429 0.376) 6.615 12.496 ( -9.179 8.222 2.416) 12.558 12.660 ( -6.844 -8.909 2.382) 11.484 13.138 ( -8.920 0.890 -2.737) 9.372 13.142 ( -8.135 0.226 -2.208) 8.432 16.859 ( -8.206 8.127 -0.631) 11.567 17.018 ( -8.590 -8.200 -0.637) 11.892 17.321 ( -11.803 8.173 -0.067) 14.357 17.505 ( -9.990 -10.478 0.464) 14.485 18.006 ( -1.753 1.899 -6.903) 7.370 18.031 ( -1.695 -0.688 -1.238) 2.209 18.180 ( 8.325 6.317 1.388) 10.542 18.237 ( 10.475 0.959 3.712) 11.154 21.032 ( 10.769 0.305 1.324) 10.854 21.081 ( 11.681 -4.907 2.084) 12.840 21.585 ( -2.650 5.489 -0.396) 6.108 21.688 ( 0.832 -5.195 -0.399) 5.276 ======================= Grid point 251 (139/170) ======================= q-point: (-0.18 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 0.378 13.723 2.602) 13.973 2.384 ( 2.094 15.680 7.459) 17.490 2.461 ( 2.503 -9.063 -2.786) 9.806 2.651 ( 2.558 1.366 2.127) 3.596 2.675 ( 1.144 -6.281 -0.872) 6.444 2.784 ( -4.531 -5.301 -4.326) 8.206 2.874 ( 2.235 -0.181 -1.497) 2.696 2.991 ( 0.955 -8.713 -0.595) 8.785 3.198 ( -1.831 2.535 -4.290) 5.309 3.240 ( -3.313 -2.655 -7.810) 8.889 3.391 ( 4.421 0.055 -7.897) 9.050 3.445 ( -0.571 -5.755 0.061) 5.784 3.945 ( 4.583 1.572 13.518) 14.360 3.969 ( 4.509 -0.887 17.379) 17.976 4.370 ( 11.297 19.455 3.590) 22.782 4.542 ( 4.078 20.806 9.490) 23.229 4.699 ( 11.507 -5.188 1.934) 12.770 4.944 ( -1.155 -6.769 4.716) 8.330 5.126 ( 2.830 1.314 1.834) 3.619 5.171 ( 8.488 -7.546 -1.699) 11.484 5.369 ( -6.333 6.613 -2.256) 9.430 5.474 ( -1.916 -0.050 2.230) 2.941 5.543 ( -4.260 -4.336 0.622) 6.110 5.575 ( -2.190 -3.673 0.465) 4.301 5.837 ( -2.869 3.844 -4.341) 6.469 5.928 ( 0.486 -4.028 -7.488) 8.517 6.279 ( -0.592 2.447 -2.497) 3.546 6.344 ( 4.312 -3.855 -1.391) 5.949 7.305 ( -3.077 4.024 -1.472) 5.275 7.370 ( -4.257 -2.688 0.959) 5.125 7.782 ( -11.767 2.077 0.474) 11.958 7.835 ( -7.948 -3.182 -2.354) 8.879 8.384 ( 1.696 8.832 -0.013) 8.994 8.497 ( 4.584 -2.327 -2.209) 5.595 9.283 ( 0.565 2.416 4.382) 5.036 9.322 ( 0.140 -1.560 4.809) 5.058 9.840 ( -1.204 3.827 4.476) 6.011 9.927 ( -0.621 -5.511 6.667) 8.672 10.425 ( 7.074 8.628 -3.284) 11.631 10.574 ( 6.682 -5.730 -1.984) 9.023 10.835 ( 2.575 7.602 -3.741) 8.855 11.005 ( 2.829 -6.209 -4.356) 8.095 11.162 ( 2.541 3.805 -1.327) 4.764 11.287 ( 4.651 -6.979 -1.267) 8.482 12.376 ( -10.760 9.325 4.719) 15.000 12.552 ( -10.508 -8.768 3.594) 14.149 12.963 ( -7.649 2.035 -4.259) 8.988 12.998 ( -5.612 -2.040 -3.327) 6.835 16.693 ( -11.088 3.431 -0.574) 11.621 16.793 ( -17.569 -7.002 0.516) 18.920 17.128 ( -3.475 6.590 -13.983) 15.844 17.289 ( -8.362 -10.202 -12.356) 18.074 17.990 ( 0.864 4.087 5.130) 6.616 18.058 ( -0.645 -3.184 8.693) 9.280 18.357 ( 12.121 7.391 0.054) 14.196 18.441 ( 10.702 -1.195 2.141) 10.979 21.158 ( 2.990 3.087 0.261) 4.306 21.235 ( 3.697 -4.897 0.460) 6.153 21.583 ( 2.572 8.518 2.860) 9.347 21.730 ( 4.418 -6.753 1.386) 8.188 ======================= Grid point 252 (140/170) ======================= q-point: (-0.09 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -3.323 10.298 -2.979) 11.224 2.355 ( -5.978 6.229 -2.109) 8.887 2.483 ( 0.119 -4.321 -4.728) 6.406 2.562 ( -2.726 1.452 -1.169) 3.303 2.735 ( 2.904 2.071 3.322) 4.875 2.837 ( 0.130 -0.312 -3.866) 3.881 2.869 ( 5.894 -7.540 2.731) 9.952 2.961 ( 1.411 -8.043 -7.864) 11.337 3.160 ( 0.264 0.288 -5.970) 5.983 3.184 ( -0.775 -0.448 4.574) 4.661 3.414 ( 5.943 2.482 -0.213) 6.444 3.503 ( 7.309 -6.541 4.183) 10.663 4.142 ( 0.082 3.930 14.640) 15.158 4.202 ( -0.834 -2.613 17.751) 17.962 4.577 ( 6.463 22.682 9.347) 25.369 4.666 ( -1.220 20.036 7.584) 21.458 4.841 ( 3.349 -4.993 4.223) 7.348 4.965 ( -0.456 -3.760 3.568) 5.203 5.168 ( 3.447 3.041 -1.336) 4.787 5.276 ( -2.864 8.592 -0.246) 9.060 5.312 ( 3.084 -6.843 -0.531) 7.524 5.435 ( -1.876 -4.063 -0.742) 4.536 5.523 ( -3.371 -3.446 3.219) 5.797 5.578 ( 4.179 -6.263 -1.798) 7.741 5.764 ( -1.617 6.754 -2.099) 7.255 5.887 ( 3.870 -3.422 -4.566) 6.895 6.205 ( -2.358 3.889 -6.553) 7.977 6.355 ( 3.521 -10.694 -8.757) 14.263 7.256 ( -0.996 2.805 -1.728) 3.441 7.311 ( -3.968 -3.096 -0.575) 5.065 7.624 ( -8.577 2.145 2.219) 9.116 7.694 ( -5.571 -4.828 -1.440) 7.511 8.395 ( 0.642 9.245 -1.565) 9.398 8.506 ( 1.661 -2.013 -4.706) 5.382 9.335 ( -1.042 2.865 5.004) 5.860 9.373 ( -0.812 -1.131 4.899) 5.093 9.886 ( -0.784 7.447 8.119) 11.044 10.035 ( 1.305 -7.609 11.218) 13.618 10.523 ( 10.206 10.160 -5.126) 15.286 10.658 ( 5.093 -0.934 -1.720) 5.456 10.835 ( 2.710 0.424 -2.562) 3.754 10.949 ( -1.447 -6.252 -7.477) 9.853 11.173 ( 1.151 4.336 -3.013) 5.404 11.312 ( 1.866 -8.352 -4.541) 9.688 12.285 ( -7.989 9.201 7.053) 14.079 12.450 ( -7.642 -7.736 5.493) 12.183 12.824 ( -3.730 3.862 -4.343) 6.906 12.897 ( -2.478 -4.170 -3.748) 6.130 16.528 ( -8.637 -1.993 -0.199) 8.867 16.546 ( -12.362 -3.931 -0.267) 12.975 16.919 ( -1.840 3.420 -15.385) 15.867 17.019 ( -4.791 -7.119 -16.158) 18.295 18.103 ( 2.322 3.687 8.851) 9.865 18.163 ( 0.213 -2.596 9.422) 9.776 18.535 ( 9.595 5.481 0.143) 11.051 18.599 ( 6.323 -1.128 1.245) 6.543 21.146 ( -1.254 3.665 -2.556) 4.641 21.211 ( -2.065 -2.706 -3.680) 5.013 21.713 ( 4.544 7.166 7.015) 11.010 21.838 ( 4.481 -5.606 3.622) 8.039 ======================= Grid point 297 (141/170) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.096 0.000 -21.746) 21.746 1.740 ( -0.096 0.000 21.746) 21.746 1.871 ( -1.221 0.000 -22.506) 22.539 1.871 ( 1.221 0.000 22.506) 22.539 3.085 ( 2.294 0.000 -1.082) 2.536 3.085 ( -2.294 0.000 1.082) 2.536 3.290 ( 4.466 0.000 -4.077) 6.047 3.290 ( -4.466 0.000 4.077) 6.047 3.455 ( -8.924 0.000 -30.598) 31.873 3.455 ( 8.924 0.000 30.598) 31.873 3.568 ( -0.619 0.000 -7.032) 7.059 3.568 ( 0.619 0.000 7.032) 7.059 3.756 ( -0.583 0.000 -5.834) 5.863 3.756 ( 0.583 0.000 5.834) 5.863 4.173 ( -4.237 0.000 -3.878) 5.744 4.173 ( 4.237 0.000 3.878) 5.744 4.526 ( -8.730 0.000 -3.304) 9.334 4.526 ( 8.730 0.000 3.304) 9.334 4.791 ( -1.466 0.000 -6.525) 6.688 4.791 ( 1.466 0.000 6.525) 6.688 5.277 ( -1.851 0.000 -14.899) 15.014 5.277 ( 1.851 0.000 14.899) 15.014 5.808 ( 21.459 0.000 -9.721) 23.558 5.808 ( -21.459 0.000 9.721) 23.558 6.116 ( -1.001 0.000 -6.985) 7.056 6.116 ( 1.001 0.000 6.985) 7.056 6.294 ( -16.816 0.000 -10.005) 19.568 6.294 ( 16.816 0.000 10.005) 19.568 7.355 ( 0.938 0.000 -0.649) 1.140 7.355 ( -0.938 0.000 0.649) 1.140 7.668 ( 11.232 0.000 -6.881) 13.172 7.668 ( -11.232 0.000 6.881) 13.172 7.913 ( -10.010 0.000 -4.863) 11.129 7.913 ( 10.010 0.000 4.863) 11.129 9.207 ( -2.150 0.000 -9.074) 9.325 9.207 ( 2.150 0.000 9.074) 9.325 9.664 ( 2.300 0.000 -1.306) 2.645 9.664 ( -2.300 0.000 1.306) 2.645 10.395 ( -2.253 0.000 -4.119) 4.695 10.395 ( 2.253 0.000 4.119) 4.695 11.144 ( 0.609 0.000 -6.397) 6.426 11.144 ( -0.609 0.000 6.397) 6.426 11.576 ( 0.717 0.000 -6.249) 6.290 11.576 ( -0.717 0.000 6.249) 6.290 12.166 ( 0.360 0.000 -12.177) 12.182 12.166 ( -0.360 0.000 12.177) 12.182 12.963 ( -0.394 0.000 -5.844) 5.857 12.963 ( 0.394 0.000 5.844) 5.857 17.175 ( -3.423 0.000 -2.656) 4.332 17.175 ( 3.423 0.000 2.656) 4.332 17.309 ( -7.404 0.000 -3.528) 8.202 17.309 ( 7.404 0.000 3.528) 8.202 17.807 ( 2.423 0.000 -0.961) 2.607 17.807 ( -2.423 0.000 0.961) 2.607 18.187 ( -3.799 0.000 -1.379) 4.041 18.187 ( 3.799 0.000 1.379) 4.041 20.975 ( -2.609 0.000 -0.292) 2.625 20.975 ( 2.609 0.000 0.292) 2.625 21.820 ( -0.671 0.000 -7.363) 7.393 21.820 ( 0.671 0.000 7.363) 7.393 ======================= Grid point 299 (142/170) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 9.131 0.000 -22.487) 24.270 1.599 ( 5.456 0.000 -24.717) 25.312 2.081 ( 7.947 0.000 19.488) 21.046 2.207 ( 8.277 0.000 20.794) 22.380 3.014 ( 6.953 0.000 -37.820) 38.454 3.061 ( 0.020 0.000 -1.781) 1.781 3.111 ( -2.475 0.000 1.632) 2.964 3.221 ( -8.879 0.000 3.164) 9.426 3.262 ( 0.154 0.000 -7.446) 7.448 3.538 ( 2.497 0.000 -2.178) 3.313 3.614 ( -4.135 0.000 0.747) 4.202 3.706 ( 1.072 0.000 -4.479) 4.605 3.847 ( -0.348 0.000 8.695) 8.701 3.945 ( -8.458 0.000 2.009) 8.693 3.965 ( 10.569 0.000 20.548) 23.107 4.194 ( -4.615 0.000 4.207) 6.245 4.376 ( -2.881 0.000 -6.159) 6.799 4.572 ( 0.230 0.000 -9.284) 9.287 4.774 ( 7.023 0.000 -7.281) 10.116 4.934 ( -0.796 0.000 7.000) 7.045 5.085 ( -2.010 0.000 -12.290) 12.453 5.402 ( -4.705 0.000 12.050) 12.936 5.644 ( -4.958 0.000 7.584) 9.061 5.776 ( -4.447 0.000 -19.271) 19.777 6.074 ( 2.587 0.000 -6.165) 6.686 6.141 ( 3.477 0.000 3.458) 4.904 6.168 ( -3.398 0.000 5.712) 6.647 6.710 ( 14.068 0.000 15.083) 20.625 7.336 ( -2.918 0.000 1.984) 3.529 7.337 ( -2.595 0.000 -1.053) 2.800 7.577 ( -9.343 0.000 7.070) 11.716 7.688 ( -6.929 0.000 -6.795) 9.705 7.775 ( 8.490 0.000 -5.256) 9.985 8.094 ( 7.633 0.000 2.392) 7.999 9.142 ( 5.016 0.000 -6.487) 8.201 9.365 ( 3.068 0.000 7.489) 8.093 9.659 ( 0.973 0.000 2.519) 2.700 9.682 ( 2.030 0.000 -1.977) 2.834 10.306 ( -1.944 0.000 -3.861) 4.323 10.445 ( -1.123 0.000 3.435) 3.614 11.013 ( -6.875 0.000 -6.837) 9.696 11.123 ( -8.337 0.000 3.748) 9.141 11.521 ( -0.515 0.000 -4.543) 4.572 11.598 ( -5.936 0.000 5.235) 7.914 12.094 ( 7.371 0.000 -11.589) 13.735 12.335 ( 4.972 0.000 11.543) 12.568 12.976 ( 8.521 0.000 -2.157) 8.790 13.071 ( 4.559 0.000 4.668) 6.525 16.932 ( -17.740 0.000 -3.047) 17.999 17.074 ( -14.748 0.000 0.930) 14.777 17.085 ( -17.412 0.000 -0.387) 17.417 17.355 ( -9.932 0.000 8.732) 13.224 17.890 ( 9.633 0.000 0.537) 9.648 17.939 ( 13.087 0.000 -0.742) 13.108 18.219 ( 8.090 0.000 -2.081) 8.353 18.334 ( 10.052 0.000 1.101) 10.112 20.968 ( 2.926 0.000 -0.681) 3.004 21.035 ( 4.147 0.000 0.122) 4.149 21.724 ( -0.471 0.000 -8.095) 8.109 21.899 ( 0.582 0.000 4.861) 4.895 ======================= Grid point 300 (143/170) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 15.174 0.000 -20.039) 25.136 1.532 ( 16.391 0.000 -17.479) 23.962 2.386 ( 5.670 0.000 14.909) 15.951 2.529 ( 7.026 0.000 11.521) 13.494 2.873 ( 21.194 0.000 -23.653) 31.759 3.010 ( -7.152 0.000 -4.411) 8.403 3.069 ( -2.614 0.000 -4.964) 5.610 3.098 ( -6.225 0.000 0.010) 6.225 3.215 ( 3.901 0.000 -1.855) 4.320 3.366 ( -15.459 0.000 -3.393) 15.827 3.559 ( 1.579 0.000 -0.908) 1.822 3.659 ( -1.662 0.000 -6.401) 6.613 3.867 ( -2.130 0.000 8.006) 8.285 4.020 ( 3.675 0.000 3.562) 5.118 4.135 ( -8.864 0.000 4.061) 9.750 4.218 ( -2.007 0.000 -2.137) 2.931 4.379 ( -1.659 0.000 -17.250) 17.330 4.456 ( 16.403 0.000 11.009) 19.755 4.796 ( 8.709 0.000 -12.485) 15.222 4.843 ( -10.568 0.000 1.373) 10.657 4.986 ( 3.690 0.000 -6.601) 7.562 5.531 ( 1.170 0.000 12.357) 12.412 5.542 ( -4.703 0.000 -6.878) 8.332 5.742 ( 3.355 0.000 7.475) 8.194 6.032 ( -1.137 0.000 -1.210) 1.660 6.122 ( -7.891 0.000 1.782) 8.090 6.232 ( 2.970 0.000 -1.535) 3.343 6.931 ( -4.406 0.000 6.712) 8.029 7.241 ( -6.248 0.000 -2.663) 6.791 7.322 ( -2.765 0.000 4.000) 4.863 7.547 ( -4.585 0.000 -0.968) 4.686 7.564 ( -4.397 0.000 10.871) 11.726 7.859 ( 10.588 0.000 -7.643) 13.059 8.219 ( 8.127 0.000 -0.894) 8.176 9.217 ( 11.420 0.000 -3.846) 12.050 9.378 ( -4.769 0.000 0.442) 4.789 9.683 ( 1.443 0.000 -2.706) 3.067 9.798 ( 8.625 0.000 5.250) 10.098 10.300 ( 5.282 0.000 -1.680) 5.543 10.447 ( -2.415 0.000 2.474) 3.457 10.805 ( -10.080 0.000 -6.072) 11.768 10.999 ( -10.338 0.000 1.355) 10.426 11.441 ( -4.106 0.000 -3.390) 5.324 11.528 ( -7.771 0.000 4.140) 8.805 12.121 ( 9.957 0.000 -9.152) 13.524 12.564 ( 8.282 0.000 10.570) 13.428 13.156 ( 10.470 0.000 4.153) 11.264 13.172 ( 3.086 0.000 1.748) 3.547 16.690 ( -12.324 0.000 4.026) 12.965 16.800 ( -17.436 0.000 1.425) 17.494 16.817 ( -17.709 0.000 0.582) 17.719 17.259 ( -16.200 0.000 13.667) 21.195 18.049 ( 9.617 0.000 -1.354) 9.712 18.143 ( 13.004 0.000 -0.622) 13.018 18.316 ( 7.898 0.000 -4.421) 9.052 18.437 ( 4.304 0.000 -5.470) 6.960 21.057 ( 8.970 0.000 -0.306) 8.976 21.101 ( 3.769 0.000 1.047) 3.912 21.632 ( -0.430 0.000 -7.186) 7.199 21.935 ( -0.389 0.000 1.324) 1.380 ======================= Grid point 301 (144/170) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 20.590 0.000 -10.314) 23.029 1.670 ( 22.526 0.000 -13.811) 26.423 2.535 ( -7.907 0.000 9.057) 12.023 2.659 ( 1.547 0.000 2.645) 3.064 2.763 ( -8.743 0.000 -3.015) 9.248 2.876 ( -2.960 0.000 -9.553) 10.001 3.022 ( -0.441 0.000 -6.838) 6.852 3.155 ( 10.310 0.000 7.800) 12.928 3.236 ( -5.347 0.000 7.096) 8.885 3.354 ( 15.093 0.000 -3.166) 15.422 3.462 ( -8.553 0.000 -8.023) 11.727 3.569 ( 3.433 0.000 -3.867) 5.171 3.893 ( -7.966 0.000 -13.889) 16.011 3.923 ( -0.749 0.000 5.350) 5.402 4.105 ( 4.176 0.000 1.187) 4.341 4.229 ( 3.072 0.000 -12.670) 13.037 4.309 ( 6.398 0.000 5.746) 8.600 4.719 ( -5.777 0.000 -0.196) 5.781 4.725 ( 10.483 0.000 -7.018) 12.616 4.842 ( 9.800 0.000 0.647) 9.822 5.080 ( 11.455 0.000 1.208) 11.518 5.470 ( 0.435 0.000 -1.648) 1.705 5.621 ( -5.500 0.000 9.974) 11.390 5.861 ( 0.322 0.000 4.565) 4.576 5.983 ( -6.164 0.000 -3.018) 6.863 6.008 ( -3.582 0.000 1.869) 4.041 6.181 ( -5.901 0.000 -2.451) 6.390 6.758 ( -16.765 0.000 -2.529) 16.955 7.133 ( -3.978 0.000 -0.446) 4.003 7.327 ( -2.971 0.000 4.454) 5.354 7.510 ( -0.720 0.000 1.339) 1.520 7.636 ( -4.331 0.000 12.666) 13.386 7.938 ( 10.252 0.000 -7.837) 12.904 8.329 ( 7.731 0.000 -3.462) 8.471 9.317 ( -2.738 0.000 1.228) 3.001 9.396 ( 14.198 0.000 -1.598) 14.288 9.672 ( 1.755 0.000 -3.195) 3.645 9.977 ( 9.085 0.000 1.463) 9.202 10.389 ( 7.170 0.000 -2.518) 7.599 10.434 ( -1.648 0.000 1.055) 1.957 10.582 ( -10.844 0.000 -3.662) 11.446 10.840 ( -11.030 0.000 0.772) 11.057 11.331 ( -4.863 0.000 -3.081) 5.756 11.463 ( -7.239 0.000 4.574) 8.563 12.216 ( 12.354 0.000 -4.322) 13.089 12.807 ( 7.993 0.000 9.532) 12.439 13.194 ( -0.474 0.000 -1.695) 1.760 13.322 ( 4.115 0.000 3.734) 5.556 16.490 ( -15.274 0.000 0.261) 15.276 16.556 ( -15.666 0.000 0.230) 15.667 16.743 ( -4.332 0.000 16.128) 16.699 17.170 ( -16.515 0.000 16.947) 23.663 18.122 ( 5.334 0.000 -7.332) 9.067 18.308 ( 6.993 0.000 -5.213) 8.722 18.352 ( 2.351 0.000 -10.489) 10.749 18.385 ( 7.095 0.000 -3.290) 7.820 21.187 ( 4.646 0.000 2.673) 5.360 21.229 ( 11.973 0.000 0.797) 12.000 21.556 ( -0.546 0.000 -5.219) 5.248 21.919 ( -1.849 0.000 -0.788) 2.010 ======================= Grid point 302 (145/170) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 19.843 0.000 -2.153) 19.959 1.912 ( 24.955 0.000 -11.358) 27.418 2.360 ( -16.245 0.000 6.439) 17.474 2.595 ( -7.064 0.000 -5.675) 9.061 2.762 ( 5.560 0.000 -2.904) 6.273 2.795 ( -5.913 0.000 8.294) 10.186 2.955 ( -0.754 0.000 -3.119) 3.209 3.133 ( -13.687 0.000 0.909) 13.717 3.279 ( -1.284 0.000 8.388) 8.486 3.394 ( -3.251 0.000 -0.519) 3.292 3.454 ( 1.652 0.000 0.943) 1.902 3.581 ( -9.100 0.000 -15.550) 18.017 3.715 ( 16.820 0.000 -4.499) 17.412 3.955 ( -0.350 0.000 1.994) 2.025 4.251 ( 12.066 0.000 -4.397) 12.842 4.299 ( 22.877 0.000 -2.867) 23.056 4.411 ( 3.506 0.000 -2.184) 4.130 4.657 ( -0.866 0.000 -0.513) 1.006 4.824 ( 8.837 0.000 -1.173) 8.915 4.998 ( 4.629 0.000 5.115) 6.899 5.234 ( 2.816 0.000 2.597) 3.831 5.554 ( 14.616 0.000 -2.574) 14.841 5.592 ( -9.523 0.000 6.807) 11.706 5.734 ( -9.159 0.000 -6.550) 11.260 5.859 ( -19.748 0.000 1.576) 19.811 5.981 ( 2.140 0.000 0.580) 2.218 6.086 ( -1.020 0.000 -1.928) 2.182 6.438 ( -19.017 0.000 -2.413) 19.169 7.127 ( 1.990 0.000 1.871) 2.731 7.318 ( -3.705 0.000 3.278) 4.947 7.550 ( 3.011 0.000 2.379) 3.838 7.694 ( -5.940 0.000 12.273) 13.635 8.009 ( 8.799 0.000 -6.225) 10.779 8.343 ( 1.109 0.000 -7.395) 7.477 9.332 ( 1.229 0.000 3.321) 3.541 9.541 ( 3.817 0.000 -3.083) 4.907 9.732 ( 11.283 0.000 -0.563) 11.297 10.101 ( 6.620 0.000 -2.804) 7.189 10.406 ( -8.567 0.000 2.558) 8.940 10.416 ( -1.037 0.000 -0.538) 1.168 10.451 ( 5.879 0.000 -5.928) 8.349 10.683 ( -10.704 0.000 2.227) 10.934 11.240 ( -1.883 0.000 -3.108) 3.634 11.381 ( -8.600 0.000 3.023) 9.116 12.414 ( 14.541 0.000 0.884) 14.568 12.989 ( -0.405 0.000 7.790) 7.801 13.145 ( 1.618 0.000 -4.005) 4.320 13.370 ( -0.474 0.000 0.526) 0.707 16.291 ( -9.946 0.000 0.371) 9.953 16.344 ( -10.965 0.000 -0.164) 10.967 16.883 ( -2.154 0.000 15.462) 15.611 17.107 ( -14.638 0.000 15.788) 21.530 18.082 ( 3.644 0.000 -10.964) 11.554 18.149 ( -0.159 0.000 -14.933) 14.934 18.444 ( 6.126 0.000 -0.463) 6.143 18.461 ( 5.013 0.000 -0.935) 5.099 21.294 ( 4.846 0.000 2.554) 5.478 21.430 ( 10.590 0.000 2.478) 10.876 21.500 ( 0.076 0.000 -3.956) 3.957 21.863 ( -4.090 0.000 -1.056) 4.224 ======================= Grid point 303 (146/170) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 19.176 0.000 -11.240) 22.227 2.170 ( 14.361 0.000 2.808) 14.633 2.249 ( -10.247 0.000 9.943) 14.278 2.401 ( -10.024 0.000 -4.283) 10.901 2.799 ( -7.633 0.000 11.254) 13.598 2.802 ( 7.276 0.000 -8.980) 11.558 2.926 ( 0.244 0.000 -1.487) 1.507 2.964 ( -10.529 0.000 5.218) 11.751 3.270 ( -3.039 0.000 -4.679) 5.579 3.282 ( -3.383 0.000 -5.839) 6.749 3.408 ( -0.396 0.000 4.883) 4.899 3.470 ( 0.180 0.000 -3.599) 3.604 3.878 ( 5.243 0.000 3.252) 6.170 3.951 ( -0.749 0.000 -1.778) 1.929 4.383 ( 3.163 0.000 1.561) 3.527 4.410 ( 1.415 0.000 -3.347) 3.634 4.613 ( 15.769 0.000 -3.500) 16.153 4.816 ( -9.206 0.000 -1.595) 9.343 4.848 ( 28.415 0.000 0.694) 28.423 5.134 ( -1.426 0.000 10.066) 10.166 5.329 ( 8.976 0.000 -1.163) 9.051 5.481 ( -12.267 0.000 3.743) 12.826 5.486 ( -22.062 0.000 2.599) 22.215 5.508 ( -5.358 0.000 -11.466) 12.656 5.820 ( 16.641 0.000 0.226) 16.643 6.002 ( 0.210 0.000 -2.108) 2.118 6.065 ( 1.588 0.000 -3.477) 3.822 6.140 ( -18.398 0.000 3.925) 18.812 7.206 ( 5.082 0.000 0.755) 5.138 7.280 ( -4.633 0.000 1.532) 4.880 7.643 ( 6.469 0.000 -0.404) 6.481 7.707 ( -7.216 0.000 8.251) 10.962 8.090 ( 6.813 0.000 -0.280) 6.819 8.223 ( -4.385 0.000 -7.408) 8.609 9.411 ( 2.676 0.000 4.591) 5.314 9.500 ( -1.631 0.000 -4.666) 4.943 9.935 ( 11.631 0.000 0.995) 11.674 10.085 ( -4.615 0.000 -2.451) 5.226 10.372 ( 0.253 0.000 1.366) 1.390 10.392 ( -1.156 0.000 -0.273) 1.188 10.482 ( 6.152 0.000 -4.620) 7.693 10.559 ( -9.089 0.000 3.547) 9.756 11.216 ( 3.393 0.000 -3.004) 4.532 11.277 ( -7.777 0.000 2.570) 8.191 12.664 ( 14.059 0.000 2.745) 14.325 12.894 ( -11.554 0.000 -1.334) 11.631 13.232 ( 6.331 0.000 2.041) 6.651 13.331 ( -3.497 0.000 -1.561) 3.829 16.196 ( -2.756 0.000 0.614) 2.824 16.217 ( -4.556 0.000 -0.514) 4.585 16.989 ( 2.220 0.000 3.924) 4.508 17.052 ( -9.485 0.000 8.458) 12.709 18.029 ( 2.533 0.000 -6.480) 6.958 18.037 ( -0.428 0.000 -4.420) 4.441 18.506 ( 2.235 0.000 -0.295) 2.254 18.509 ( 1.575 0.000 -0.048) 1.575 21.385 ( 3.890 0.000 1.325) 4.110 21.447 ( -2.715 0.000 -0.808) 2.833 21.621 ( 10.163 0.000 0.728) 10.189 21.765 ( -7.044 0.000 -0.915) 7.104 ======================= Grid point 309 (147/170) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.245 8.332 -21.592) 23.145 1.828 ( -0.245 8.332 21.592) 23.145 1.997 ( -2.087 11.521 -22.019) 24.938 1.997 ( 2.087 11.521 22.019) 24.938 3.052 ( -1.467 -3.298 -3.807) 5.246 3.052 ( 1.467 -3.298 3.807) 5.246 3.221 ( 0.731 -8.006 -5.232) 9.592 3.221 ( -0.731 -8.006 5.232) 9.592 3.461 ( -2.535 -2.493 -9.132) 9.799 3.461 ( 2.535 -2.493 9.132) 9.799 3.559 ( -4.002 2.771 -18.251) 18.889 3.559 ( 4.002 2.771 18.251) 18.889 3.796 ( 0.647 6.080 -6.124) 8.654 3.796 ( -0.647 6.080 6.124) 8.654 4.242 ( -5.191 6.775 -4.202) 9.514 4.242 ( 5.191 6.775 4.202) 9.514 4.565 ( -7.903 3.036 -2.571) 8.848 4.565 ( 7.903 3.036 2.571) 8.848 4.807 ( 0.480 2.265 -5.148) 5.645 4.807 ( -0.480 2.265 5.148) 5.645 5.293 ( -2.084 0.662 -12.820) 13.005 5.293 ( 2.084 0.662 12.820) 13.005 5.737 ( 6.123 -4.465 -4.759) 8.949 5.737 ( -6.123 -4.465 4.759) 8.949 6.043 ( 1.509 -4.566 -5.132) 7.033 6.043 ( -1.509 -4.566 5.132) 7.033 6.391 ( -8.207 4.800 -10.106) 13.876 6.391 ( 8.207 4.800 10.106) 13.876 7.354 ( -2.885 -1.158 -2.588) 4.045 7.354 ( 2.885 -1.158 2.588) 4.045 7.705 ( 9.784 3.663 -5.099) 11.625 7.705 ( -9.784 3.663 5.099) 11.625 7.946 ( -9.087 3.874 -3.517) 10.486 7.946 ( 9.087 3.874 3.517) 10.486 9.241 ( -1.228 3.404 -8.173) 8.938 9.241 ( 1.228 3.404 8.173) 8.938 9.690 ( -1.406 2.925 -2.578) 4.145 9.690 ( 1.406 2.925 2.578) 4.145 10.418 ( -2.946 2.434 -4.383) 5.814 10.418 ( 2.946 2.434 4.383) 5.814 11.098 ( 0.862 -4.510 -7.171) 8.515 11.098 ( -0.862 -4.510 7.171) 8.515 11.542 ( 0.727 -3.559 -6.306) 7.277 11.542 ( -0.727 -3.559 6.306) 7.277 12.211 ( 0.232 4.306 -12.049) 12.797 12.211 ( -0.232 4.306 12.049) 12.797 12.930 ( -0.870 -3.215 -6.776) 7.550 12.930 ( 0.870 -3.215 6.776) 7.550 17.004 ( -13.897 -13.673 -3.514) 19.810 17.004 ( 13.897 -13.673 3.514) 19.810 17.188 ( -10.430 -11.275 -1.884) 15.474 17.188 ( 10.430 -11.275 1.884) 15.474 17.954 ( -9.837 11.471 -1.060) 15.148 17.954 ( 9.837 11.471 1.060) 15.148 18.275 ( -11.130 7.934 -0.832) 13.694 18.275 ( 11.130 7.934 0.832) 13.694 20.989 ( -0.758 1.446 -0.097) 1.635 20.989 ( 0.758 1.446 0.097) 1.635 21.831 ( -0.600 1.224 -7.510) 7.633 21.831 ( 0.600 1.224 7.510) 7.633 ======================= Grid point 311 (148/170) ======================= q-point: ( 0.09 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 7.961 11.869 -19.916) 24.513 1.760 ( 4.532 14.234 -21.785) 26.415 2.118 ( 6.686 4.208 19.243) 20.802 2.290 ( 5.882 6.910 18.405) 20.521 2.975 ( 2.128 -3.100 -13.222) 13.746 3.093 ( -7.368 -1.802 -5.587) 9.421 3.117 ( 3.077 -1.767 1.245) 3.760 3.172 ( -2.145 -4.127 -7.324) 8.676 3.233 ( -3.369 1.510 -6.863) 7.793 3.466 ( 2.308 -4.639 -6.204) 8.083 3.562 ( 0.784 -6.170 3.819) 7.299 3.683 ( 1.054 -0.872 -3.926) 4.158 3.845 ( 1.731 0.090 4.528) 4.848 3.985 ( -9.844 3.836 1.620) 10.689 4.062 ( 5.499 10.120 15.383) 19.217 4.260 ( -6.048 6.483 3.538) 9.546 4.423 ( -2.957 4.725 -6.782) 8.778 4.601 ( 2.074 3.008 -9.487) 10.166 4.825 ( 7.786 5.368 -6.916) 11.716 4.926 ( 0.742 -0.174 6.807) 6.850 5.113 ( -2.613 2.577 -10.056) 10.705 5.410 ( -2.327 -1.348 8.590) 9.001 5.604 ( -4.961 -1.617 1.745) 5.502 5.736 ( -3.213 -1.660 -2.938) 4.659 6.045 ( 3.526 -2.561 -4.220) 6.067 6.121 ( 6.148 -2.033 2.191) 6.836 6.239 ( -5.224 3.723 -0.938) 6.483 6.673 ( 7.701 -4.186 13.011) 15.688 7.273 ( -4.595 -3.313 -1.001) 5.753 7.422 ( 1.255 2.798 3.449) 4.615 7.585 ( -8.756 3.148 1.283) 9.393 7.741 ( -3.975 3.486 -3.611) 6.402 7.838 ( 5.508 6.786 -3.150) 9.290 8.109 ( 7.485 2.251 1.745) 8.009 9.191 ( 4.587 4.619 -5.773) 8.701 9.373 ( 2.294 0.770 6.320) 6.767 9.654 ( 1.143 1.217 -1.028) 1.961 9.745 ( 1.734 5.196 2.904) 6.199 10.315 ( -2.854 1.061 -3.995) 5.023 10.483 ( -0.499 3.760 3.683) 5.287 10.967 ( -6.518 -4.481 -7.104) 10.632 11.087 ( -8.123 -3.587 4.710) 10.052 11.488 ( -0.350 -3.448 -4.467) 5.654 11.569 ( -5.460 -3.008 5.494) 8.310 12.137 ( 7.490 4.202 -11.809) 14.601 12.378 ( 5.005 4.203 11.089) 12.872 12.914 ( 7.333 -5.508 -4.302) 10.130 13.051 ( 4.463 -2.521 5.688) 7.657 16.736 ( -14.439 -11.004 -0.391) 18.159 16.954 ( -16.005 -10.379 1.823) 19.162 17.178 ( 0.227 -1.625 0.851) 1.848 17.350 ( 1.496 -3.360 6.605) 7.560 17.800 ( -4.833 2.284 -0.469) 5.366 18.069 ( 3.082 3.596 -0.022) 4.736 18.207 ( 5.758 5.007 -1.637) 7.804 18.455 ( 9.065 7.607 -0.572) 11.848 20.998 ( 2.674 2.780 -0.225) 3.864 21.036 ( 4.470 0.446 0.009) 4.492 21.730 ( -0.890 0.605 -8.541) 8.608 21.905 ( -0.075 0.573 4.739) 4.774 ======================= Grid point 312 (149/170) ======================= q-point: ( 0.18 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 11.773 11.219 -19.730) 25.568 1.712 ( 14.044 13.789 -15.224) 24.882 2.410 ( 5.230 2.495 14.415) 15.536 2.555 ( 4.873 1.577 12.835) 13.819 2.872 ( 8.326 -1.113 -16.802) 18.785 3.002 ( -4.144 -5.100 -2.351) 6.979 3.045 ( -4.838 3.566 -5.925) 8.440 3.107 ( -4.350 -1.753 1.229) 4.849 3.196 ( 5.918 -0.120 0.715) 5.962 3.359 ( -7.256 -1.718 -6.485) 9.882 3.541 ( 0.365 -0.776 -2.244) 2.403 3.672 ( 1.242 1.459 -6.047) 6.344 3.840 ( -3.415 -2.162 5.836) 7.098 3.984 ( 3.142 -5.441 4.252) 7.587 4.125 ( -8.345 -3.554 -2.835) 9.503 4.216 ( -3.940 4.939 -6.865) 9.330 4.353 ( 2.708 4.151 -5.596) 7.476 4.609 ( 9.753 9.744 2.496) 14.011 4.821 ( 0.297 3.276 -8.462) 9.078 4.894 ( -1.896 4.269 -2.786) 5.439 5.057 ( 5.465 6.863 -3.576) 9.474 5.457 ( -0.945 -4.109 3.390) 5.410 5.608 ( -0.111 3.830 7.272) 8.220 5.746 ( 0.863 -0.148 5.578) 5.646 6.038 ( -1.011 0.377 -0.766) 1.323 6.136 ( -6.230 -0.313 -1.223) 6.356 6.219 ( 2.390 -0.754 0.392) 2.536 6.799 ( -5.733 -12.178 4.338) 14.142 7.197 ( -4.502 -3.143 0.263) 5.497 7.430 ( -4.647 9.051 0.038) 10.174 7.511 ( -1.604 -1.202 3.172) 3.752 7.677 ( -4.360 8.102 6.755) 11.414 7.916 ( 9.580 5.431 -6.436) 12.756 8.231 ( 8.438 1.753 -1.468) 8.742 9.245 ( 8.181 2.325 -3.864) 9.341 9.379 ( -3.022 0.445 -0.441) 3.086 9.699 ( 2.375 1.682 -1.100) 3.111 9.845 ( 5.972 4.589 5.824) 9.521 10.287 ( 3.800 -0.938 -2.050) 4.419 10.490 ( -2.374 3.760 2.170) 4.947 10.768 ( -9.241 -3.170 -5.466) 11.195 10.976 ( -10.059 -2.304 1.845) 10.483 11.417 ( -3.655 -2.617 -2.942) 5.373 11.507 ( -7.575 -2.187 4.123) 8.898 12.164 ( 10.115 4.240 -9.535) 14.532 12.601 ( 8.096 3.595 10.178) 13.493 13.049 ( 10.599 -8.234 0.201) 13.423 13.165 ( 3.184 -2.648 3.517) 5.434 16.600 ( -8.033 -3.365 7.730) 11.645 16.740 ( -13.821 -4.772 3.344) 14.999 17.033 ( -15.651 13.995 0.050) 20.996 17.348 ( -14.002 7.247 11.961) 19.790 17.844 ( 9.710 -12.091 -0.531) 15.516 18.177 ( 9.709 -8.665 -0.250) 13.016 18.279 ( 6.461 4.674 -4.869) 9.344 18.500 ( 1.862 3.420 -7.570) 8.513 21.055 ( 4.679 0.702 -0.555) 4.764 21.137 ( 7.445 2.856 1.742) 8.162 21.623 ( -1.082 -0.965 -7.845) 7.977 21.927 ( -1.311 -0.897 1.294) 2.049 ======================= Grid point 313 (150/170) ======================= q-point: ( 0.27 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 18.341 5.702 -12.538) 22.937 1.823 ( 19.016 11.088 -12.692) 25.410 2.536 ( -8.965 -0.109 8.292) 12.212 2.698 ( -2.841 3.385 4.549) 6.342 2.759 ( -3.786 -4.819 -2.585) 6.652 2.802 ( -3.544 -0.409 -3.416) 4.940 3.057 ( 0.528 -0.138 -5.224) 5.252 3.174 ( 3.332 1.026 9.226) 9.862 3.221 ( -3.553 0.838 1.091) 3.810 3.337 ( 8.898 -2.917 0.421) 9.373 3.512 ( -7.880 2.522 -3.135) 8.848 3.576 ( 11.226 4.898 -11.577) 16.854 3.854 ( -4.115 -5.317 3.864) 7.755 3.943 ( -3.709 2.819 -13.012) 13.821 4.075 ( 3.407 -11.697 -5.529) 13.379 4.084 ( 5.038 -2.974 -3.472) 6.803 4.375 ( 4.336 5.522 1.116) 7.109 4.667 ( -1.268 -0.877 -5.825) 6.025 4.799 ( 4.444 5.128 -1.127) 6.879 4.930 ( 9.551 7.657 0.245) 12.244 5.183 ( 9.376 9.210 2.012) 13.296 5.486 ( 1.455 1.766 0.854) 2.443 5.654 ( -6.069 2.166 7.313) 9.747 5.832 ( 0.227 -3.372 4.877) 5.934 5.925 ( -9.222 -3.322 -1.337) 9.893 6.063 ( -5.008 2.581 0.913) 5.707 6.210 ( -1.819 3.067 -1.514) 3.874 6.633 ( -13.003 -12.163 -3.615) 18.168 7.135 ( -3.297 -0.249 0.782) 3.397 7.361 ( -3.585 3.870 0.883) 5.349 7.538 ( -0.478 3.094 3.933) 5.026 7.726 ( -3.570 8.742 11.158) 14.617 7.987 ( 9.323 4.738 -7.555) 12.901 8.336 ( 7.754 0.896 -4.330) 8.926 9.286 ( -0.507 -2.299 0.083) 2.355 9.415 ( 10.044 1.201 -1.759) 10.267 9.694 ( 0.810 1.956 -2.571) 3.331 10.008 ( 7.819 3.015 2.109) 8.642 10.348 ( 4.731 -3.227 -1.785) 5.999 10.457 ( -3.531 -0.257 -0.581) 3.588 10.594 ( -6.176 3.141 -1.880) 7.179 10.826 ( -10.593 -1.523 1.104) 10.759 11.318 ( -4.550 -1.362 -2.595) 5.412 11.444 ( -7.011 -2.063 4.437) 8.549 12.251 ( 11.862 3.480 -5.179) 13.403 12.837 ( 7.607 2.825 9.279) 12.327 13.154 ( 1.887 -4.320 -1.689) 5.008 13.252 ( 4.407 -5.904 2.816) 7.887 16.501 ( -11.505 2.152 1.825) 11.846 16.716 ( -7.159 8.823 11.445) 16.127 16.787 ( -12.071 9.777 5.616) 16.518 17.246 ( -17.064 7.741 15.693) 24.442 18.006 ( 10.393 -11.104 -1.962) 15.335 18.259 ( 6.271 -4.911 -7.708) 11.084 18.330 ( 2.208 0.407 -9.513) 9.774 18.394 ( 4.221 -1.956 -6.287) 7.821 21.130 ( 5.219 -2.415 0.239) 5.756 21.298 ( 9.184 3.834 3.013) 10.398 21.528 ( -1.118 -2.903 -6.136) 6.879 21.900 ( -2.519 -2.045 -0.440) 3.274 ======================= Grid point 314 (151/170) ======================= q-point: ( 0.36 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 19.841 0.544 -4.425) 20.336 2.014 ( 21.035 7.069 -10.614) 24.599 2.372 ( -14.887 1.157 6.522) 16.294 2.563 ( -7.864 -2.732 -5.054) 9.739 2.786 ( 1.199 2.105 1.234) 2.718 2.818 ( -1.384 2.037 7.237) 7.645 2.989 ( -1.109 2.674 -4.245) 5.138 3.168 ( -11.908 3.103 1.194) 12.363 3.229 ( -2.703 -3.706 8.856) 9.973 3.332 ( -4.060 -5.649 -0.726) 6.995 3.469 ( -0.155 1.075 0.692) 1.288 3.610 ( -7.414 3.059 -15.357) 17.326 3.734 ( 11.025 0.767 -5.866) 12.512 3.903 ( 1.062 -4.772 0.034) 4.889 4.143 ( 15.677 -9.351 -4.104) 18.710 4.250 ( 19.272 -5.239 -3.056) 20.204 4.433 ( 3.362 1.723 -1.665) 4.128 4.664 ( 2.411 1.936 2.746) 4.135 4.890 ( 9.386 6.346 -0.469) 11.340 5.111 ( 8.755 8.532 4.110) 12.898 5.260 ( -5.215 4.817 2.137) 7.414 5.513 ( -0.947 -3.726 -2.983) 4.866 5.588 ( -4.171 -4.935 -0.132) 6.463 5.709 ( -9.799 1.910 2.155) 10.214 5.890 ( -8.986 0.808 -2.400) 9.336 5.980 ( -0.920 1.569 6.372) 6.627 6.135 ( -2.738 3.776 -6.777) 8.227 6.397 ( -11.657 -4.153 -1.438) 12.457 7.143 ( 2.003 1.760 2.608) 3.730 7.328 ( -2.750 1.650 1.361) 3.484 7.594 ( 2.115 4.277 4.491) 6.552 7.782 ( -5.580 8.800 11.562) 15.565 8.044 ( 8.376 3.451 -7.241) 11.598 8.340 ( 1.195 -0.251 -8.233) 8.323 9.308 ( 1.561 -2.259 2.849) 3.957 9.528 ( 3.719 -1.464 -2.715) 4.832 9.725 ( 8.045 -0.628 -0.831) 8.112 10.105 ( 4.832 0.359 -4.399) 6.544 10.359 ( -3.300 -5.133 3.180) 6.881 10.401 ( 0.302 0.962 -2.048) 2.283 10.538 ( 0.354 7.133 -2.631) 7.611 10.692 ( -8.690 0.419 2.976) 9.195 11.233 ( -1.874 -0.672 -2.888) 3.508 11.365 ( -8.272 -1.678 3.006) 8.960 12.427 ( 13.768 1.492 0.002) 13.849 12.993 ( -2.600 -0.085 5.814) 6.370 13.139 ( 3.913 -0.220 -2.131) 4.461 13.325 ( 1.724 -3.959 0.791) 4.390 16.365 ( -6.835 7.692 0.679) 10.313 16.525 ( -12.433 16.967 -0.299) 21.037 16.907 ( -1.159 2.861 15.084) 15.397 17.165 ( -15.394 6.115 15.571) 22.734 18.067 ( 4.476 -2.229 -7.990) 9.426 18.156 ( 0.033 0.815 -15.088) 15.110 18.314 ( 8.897 -8.390 -3.065) 12.607 18.470 ( 3.407 -3.311 0.402) 4.767 21.219 ( 5.229 -5.894 0.577) 7.900 21.439 ( -2.289 -4.256 0.596) 4.870 21.488 ( 9.525 2.066 -1.674) 9.890 21.843 ( -4.046 -1.972 -0.427) 4.521 ======================= Grid point 315 (152/170) ======================= q-point: ( 0.45 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 15.433 -1.852 0.452) 15.551 2.207 ( 14.956 3.230 -8.961) 17.732 2.281 ( -8.328 3.190 9.114) 12.752 2.375 ( -9.927 -2.505 -3.302) 10.758 2.811 ( 0.250 1.801 1.826) 2.577 2.846 ( -1.665 3.535 0.919) 4.014 2.945 ( -0.021 1.978 -0.560) 2.055 3.004 ( -9.834 3.543 3.245) 10.945 3.240 ( -2.025 -2.778 -2.057) 4.006 3.263 ( -2.164 -2.829 -1.918) 4.045 3.402 ( -1.459 0.323 -0.616) 1.616 3.448 ( -0.666 -1.476 -4.048) 4.360 3.821 ( 4.525 -4.652 -0.140) 6.492 3.881 ( -2.743 -6.488 -0.544) 7.065 4.343 ( 9.141 -4.652 0.400) 10.265 4.423 ( -0.745 -0.544 0.215) 0.947 4.621 ( 23.493 -1.243 -4.188) 23.896 4.822 ( 12.251 1.294 3.248) 12.741 4.924 ( -5.959 7.534 -1.256) 9.688 5.160 ( -9.922 -1.274 3.011) 10.447 5.314 ( 10.948 1.614 -1.200) 11.131 5.353 ( -6.655 -5.184 4.903) 9.757 5.484 ( -10.562 -2.574 2.341) 11.120 5.573 ( -9.383 4.926 -8.480) 13.573 5.828 ( 5.489 1.794 3.048) 6.530 5.976 ( -5.002 -2.669 -6.940) 8.961 6.096 ( 5.673 5.395 2.956) 8.368 6.233 ( -9.378 4.962 0.180) 10.611 7.226 ( 4.355 2.295 1.592) 5.174 7.293 ( -3.325 1.802 0.430) 3.807 7.700 ( 5.921 5.347 2.288) 8.300 7.787 ( -7.220 7.758 6.688) 12.531 8.104 ( 6.668 1.509 -2.222) 7.189 8.219 ( -4.171 -0.401 -6.980) 8.141 9.388 ( 3.163 -2.212 4.266) 5.753 9.484 ( -2.424 -1.660 -4.334) 5.236 9.892 ( 10.006 -3.994 1.975) 10.953 10.047 ( -4.775 -3.605 -4.398) 7.425 10.375 ( -0.247 -0.662 2.554) 2.650 10.390 ( 0.733 1.104 -2.058) 2.448 10.540 ( 2.816 5.815 0.066) 6.461 10.610 ( -5.489 4.117 0.970) 6.929 11.209 ( 3.107 -0.770 -2.888) 4.312 11.266 ( -7.434 -1.190 2.470) 7.924 12.659 ( 13.357 -0.398 2.391) 13.575 12.878 ( -10.944 -1.593 -1.696) 11.188 13.243 ( 5.388 1.168 2.281) 5.967 13.321 ( -1.899 -0.807 -1.188) 2.381 16.315 ( -0.280 11.855 0.591) 11.873 16.370 ( -6.452 14.837 -0.560) 16.189 17.023 ( 3.232 3.852 3.365) 6.051 17.098 ( -10.437 4.893 8.762) 14.479 18.034 ( 1.219 0.339 -3.908) 4.108 18.046 ( 0.950 1.039 -6.320) 6.474 18.424 ( 6.566 -6.581 -0.758) 9.327 18.486 ( -1.945 -4.050 0.423) 4.513 21.302 ( 4.468 -7.796 0.750) 9.017 21.376 ( -3.487 -7.238 -1.345) 8.146 21.640 ( 8.218 1.295 1.025) 8.383 21.760 ( -6.044 -0.629 -0.489) 6.097 ======================= Grid point 321 (153/170) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 1.645 9.251 -15.063) 17.753 2.008 ( -1.645 9.251 15.063) 17.753 2.231 ( 0.659 11.781 -17.767) 21.328 2.231 ( -0.659 11.781 17.767) 21.328 2.918 ( 1.703 -11.148 -2.059) 11.464 2.918 ( -1.703 -11.148 2.059) 11.464 3.056 ( 2.703 -6.875 -3.868) 8.339 3.056 ( -2.703 -6.875 3.868) 8.339 3.391 ( -2.256 -4.600 -0.541) 5.151 3.391 ( 2.256 -4.600 0.541) 5.151 3.610 ( -7.549 1.958 -8.788) 11.749 3.610 ( 7.549 1.958 8.788) 11.749 4.064 ( -1.220 21.667 -20.986) 30.188 4.064 ( 1.220 21.667 20.986) 30.188 4.387 ( -10.423 6.470 -4.143) 12.948 4.387 ( 10.423 6.470 4.143) 12.948 4.623 ( 3.956 4.496 -3.028) 6.711 4.623 ( -3.956 4.496 3.028) 6.711 4.898 ( 3.653 7.317 -1.457) 8.307 4.898 ( -3.653 7.317 1.457) 8.307 5.268 ( 0.538 -2.920 -8.205) 8.725 5.268 ( -0.538 -2.920 8.205) 8.725 5.732 ( -2.004 3.440 -1.827) 4.380 5.732 ( 2.004 3.440 1.827) 4.380 5.948 ( -0.695 -5.752 -4.685) 7.451 5.948 ( 0.695 -5.752 4.685) 7.451 6.398 ( -3.171 -4.458 -11.221) 12.484 6.398 ( 3.171 -4.458 11.221) 12.484 7.303 ( -4.471 -3.495 -2.551) 6.222 7.303 ( 4.471 -3.495 2.551) 6.222 7.746 ( 4.012 -0.614 -4.799) 6.285 7.746 ( -4.012 -0.614 4.799) 6.285 8.083 ( -2.802 10.011 -5.456) 11.740 8.083 ( 2.802 10.011 5.456) 11.740 9.320 ( 0.407 4.396 -6.213) 7.622 9.320 ( -0.407 4.396 6.213) 7.622 9.790 ( -0.484 7.928 -7.067) 10.632 9.790 ( 0.484 7.928 7.067) 10.632 10.486 ( -4.552 4.614 -5.104) 8.250 10.486 ( 4.552 4.614 5.104) 8.250 10.985 ( 2.129 -7.169 -9.215) 11.868 10.985 ( -2.129 -7.169 9.215) 11.868 11.443 ( 0.557 -6.760 -6.308) 9.263 11.443 ( -0.557 -6.760 6.308) 9.263 12.308 ( 0.071 5.447 -11.914) 13.100 12.308 ( -0.071 5.447 11.914) 13.100 12.856 ( -1.040 -4.193 -7.668) 8.802 12.856 ( 1.040 -4.193 7.668) 8.802 16.751 ( -12.360 -12.210 -2.554) 17.560 16.751 ( 12.360 -12.210 2.554) 17.560 16.950 ( -8.703 -12.348 -2.357) 15.290 16.950 ( 8.703 -12.348 2.357) 15.290 18.148 ( -7.378 8.115 -1.959) 11.141 18.148 ( 7.378 8.115 1.959) 11.141 18.438 ( -11.652 8.375 -0.681) 14.366 18.438 ( 11.652 8.375 0.681) 14.366 21.024 ( -0.233 2.101 -1.891) 2.836 21.024 ( 0.233 2.101 1.891) 2.836 21.863 ( -0.406 1.991 -7.315) 7.592 21.863 ( 0.406 1.991 7.315) 7.592 ======================= Grid point 323 (154/170) ======================= q-point: ( 0.09 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 7.978 14.328 -12.285) 20.491 2.043 ( 3.177 14.541 -18.577) 23.804 2.218 ( 4.360 5.088 15.023) 16.449 2.417 ( 0.753 5.989 14.709) 15.900 2.880 ( -1.947 -7.358 -1.836) 7.830 2.901 ( -1.009 -11.131 -2.018) 11.357 3.073 ( -1.348 -4.507 6.900) 8.351 3.091 ( -0.373 -6.651 2.167) 7.005 3.286 ( -8.256 -0.116 -4.032) 9.189 3.401 ( -0.203 -1.671 -12.330) 12.445 3.432 ( 1.471 -6.036 2.010) 6.530 3.742 ( 3.726 3.113 -2.437) 5.432 3.895 ( 2.477 10.964 -11.007) 15.732 4.092 ( -15.052 7.359 -4.233) 17.281 4.309 ( 0.866 13.809 4.684) 14.608 4.431 ( -2.978 12.109 2.679) 12.754 4.552 ( -2.464 8.249 -4.169) 9.565 4.677 ( 7.320 5.140 -4.953) 10.225 4.940 ( 4.185 4.829 1.281) 6.517 4.983 ( 4.663 8.347 -1.011) 9.615 5.160 ( -0.864 1.736 -4.825) 5.200 5.321 ( -1.710 -5.472 5.114) 7.683 5.651 ( -4.362 5.251 1.181) 6.928 5.743 ( -2.978 1.331 4.327) 5.419 5.964 ( 6.624 -6.336 -4.159) 10.066 6.061 ( 6.338 -4.248 0.613) 7.654 6.241 ( -5.196 -3.935 -3.991) 7.643 6.547 ( -2.056 -8.936 11.780) 14.929 7.208 ( -4.954 -2.993 -0.223) 5.792 7.408 ( 3.918 -2.944 3.563) 6.059 7.681 ( -3.165 4.371 -1.921) 5.728 7.771 ( 2.084 -0.442 -2.298) 3.133 8.018 ( 1.508 11.008 -2.472) 11.383 8.202 ( 4.699 7.381 3.321) 9.358 9.289 ( 3.525 5.142 -5.379) 8.234 9.395 ( 1.152 1.517 3.740) 4.196 9.725 ( 1.667 6.443 -4.531) 8.051 9.875 ( -0.239 8.644 7.579) 11.498 10.349 ( -4.580 2.374 -5.064) 7.229 10.577 ( -0.019 5.764 3.816) 6.913 10.864 ( -4.769 -5.728 -7.219) 10.376 10.991 ( -7.756 -6.465 7.043) 12.311 11.392 ( -0.014 -6.600 -4.090) 7.765 11.485 ( -4.103 -5.853 6.050) 9.364 12.234 ( 7.744 5.493 -12.277) 15.520 12.474 ( 5.168 5.381 10.364) 12.770 12.806 ( 5.286 -5.195 -6.316) 9.737 12.977 ( 3.599 -4.845 6.389) 8.788 16.579 ( -7.933 -5.671 2.938) 10.184 16.764 ( -10.449 -8.963 2.287) 13.956 17.001 ( 12.579 -12.826 2.507) 18.139 17.194 ( 13.005 -12.295 5.173) 18.630 17.949 ( -12.835 10.199 -1.451) 16.458 18.179 ( -9.849 8.202 -0.396) 12.823 18.313 ( 2.868 4.545 -1.943) 5.714 18.574 ( 5.053 4.819 -1.629) 7.170 21.032 ( 3.030 1.091 -0.961) 3.361 21.082 ( 4.132 3.757 2.310) 6.044 21.749 ( -2.238 1.518 -9.220) 9.608 21.916 ( -1.772 0.429 4.066) 4.456 ======================= Grid point 324 (155/170) ======================= q-point: ( 0.18 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 5.655 17.744 -17.833) 25.785 1.976 ( 10.447 13.261 -11.715) 20.548 2.447 ( 4.333 -0.189 11.103) 11.920 2.563 ( 0.638 -0.307 9.671) 9.697 2.824 ( -3.707 -2.533 -0.932) 4.586 2.888 ( 0.246 -5.989 0.877) 6.058 3.056 ( -9.004 -3.704 0.696) 9.761 3.124 ( -0.433 -1.377 -0.136) 1.450 3.151 ( -1.700 -1.372 7.159) 7.485 3.317 ( 2.254 -2.879 -7.961) 8.760 3.483 ( 1.643 -7.248 1.711) 7.626 3.719 ( 2.529 1.278 -3.875) 4.800 3.834 ( 1.660 1.617 -10.109) 10.371 3.935 ( -2.174 8.644 -0.224) 8.916 4.111 ( -11.907 3.395 -9.464) 15.584 4.355 ( -3.362 7.229 -13.713) 15.862 4.526 ( 1.620 12.802 -3.555) 13.385 4.760 ( 5.108 5.619 -2.385) 7.959 4.937 ( -4.078 8.498 -1.575) 9.557 4.980 ( 2.843 4.584 -1.727) 5.664 5.213 ( 7.725 8.876 2.405) 12.010 5.419 ( 4.580 0.633 7.376) 8.705 5.648 ( -1.284 0.018 5.273) 5.427 5.745 ( -2.813 0.087 2.946) 4.074 6.002 ( -4.069 -5.639 -1.560) 7.127 6.055 ( 2.024 -7.743 -3.419) 8.703 6.219 ( 1.411 -0.003 2.731) 3.074 6.547 ( -9.252 -12.540 3.968) 16.081 7.152 ( -3.071 -1.073 1.476) 3.572 7.475 ( -0.058 -2.197 0.900) 2.375 7.624 ( -1.747 9.785 0.597) 9.957 7.809 ( 3.265 4.568 2.504) 6.148 8.053 ( 5.302 8.647 -2.600) 10.471 8.300 ( 6.152 5.384 -0.695) 8.205 9.288 ( 2.246 2.267 -4.756) 5.727 9.403 ( 0.740 1.757 -2.232) 2.936 9.750 ( 3.027 3.897 -1.476) 5.150 9.956 ( 0.504 6.915 8.430) 10.916 10.268 ( 1.199 -1.348 -4.505) 4.853 10.552 ( -4.683 2.039 -1.431) 5.304 10.730 ( -5.840 0.172 0.141) 5.844 10.917 ( -8.362 -3.521 2.731) 9.475 11.341 ( -2.461 -5.388 -1.729) 6.171 11.446 ( -6.910 -4.236 4.176) 9.118 12.263 ( 10.706 5.740 -10.191) 15.856 12.686 ( 7.650 4.936 9.230) 12.964 12.892 ( 11.002 -7.527 -2.317) 13.530 13.084 ( 2.345 -5.381 3.901) 7.047 16.578 ( -3.493 0.313 9.610) 10.230 16.669 ( -5.626 -1.674 6.625) 8.852 17.164 ( 4.225 -3.371 -0.285) 5.412 17.419 ( 2.260 -2.495 11.148) 11.645 17.757 ( -7.957 5.190 -0.941) 9.546 18.054 ( -1.858 -0.739 0.486) 2.058 18.331 ( 3.554 0.600 -6.039) 7.033 18.543 ( -1.575 1.305 -8.466) 8.709 21.080 ( 3.073 1.532 -0.186) 3.439 21.201 ( 7.019 3.716 3.125) 8.535 21.601 ( -3.124 -0.983 -9.532) 10.079 21.899 ( -3.601 -2.101 1.065) 4.303 ======================= Grid point 325 (156/170) ======================= q-point: ( 0.27 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 9.429 11.634 -13.019) 19.843 2.039 ( 14.364 11.345 -12.139) 21.963 2.514 ( -8.911 -2.301 6.085) 11.033 2.640 ( -0.948 -5.140 -1.445) 5.423 2.766 ( -3.139 3.380 6.949) 8.340 2.824 ( -5.139 0.012 0.603) 5.174 3.010 ( 1.838 -4.163 -0.394) 4.567 3.179 ( -4.445 -3.603 8.287) 10.070 3.201 ( -1.953 -1.551 6.345) 6.818 3.298 ( 3.306 -0.415 -1.025) 3.486 3.516 ( -0.964 -2.725 0.998) 3.058 3.745 ( 0.274 -2.507 -0.462) 2.564 3.772 ( 6.914 6.097 -12.421) 15.468 3.887 ( 0.018 -1.562 -4.308) 4.583 3.912 ( 1.338 -2.318 -5.634) 6.238 4.092 ( -3.811 2.768 -19.578) 20.136 4.511 ( 0.520 7.535 -3.391) 8.279 4.711 ( -0.721 5.788 -3.109) 6.610 4.924 ( 3.192 7.897 -0.376) 8.527 5.092 ( 9.063 8.355 2.528) 12.583 5.370 ( 6.868 9.469 2.747) 12.016 5.528 ( 0.863 2.034 0.597) 2.289 5.640 ( -9.818 -5.312 -1.195) 11.227 5.748 ( 0.799 -4.629 7.494) 8.845 5.857 ( -10.261 -3.402 4.843) 11.845 6.079 ( -1.594 -1.710 1.026) 2.553 6.276 ( 3.416 2.346 0.520) 4.176 6.378 ( -8.851 -10.999 -6.166) 15.406 7.145 ( -0.808 1.964 3.069) 3.732 7.437 ( -1.736 2.969 -2.510) 4.257 7.640 ( -1.883 7.607 5.850) 9.779 7.908 ( 2.452 8.554 5.869) 10.659 8.100 ( 4.903 6.905 -3.926) 9.334 8.370 ( 6.143 2.682 -5.559) 8.708 9.255 ( -0.368 -0.650 -1.795) 1.945 9.427 ( 5.726 -0.070 -3.006) 6.468 9.737 ( -0.806 2.666 -2.556) 3.780 10.081 ( 4.823 4.422 4.030) 7.685 10.245 ( -0.197 -7.423 -2.999) 8.008 10.466 ( -1.434 2.673 -2.143) 3.715 10.682 ( -3.812 3.466 4.110) 6.591 10.796 ( -8.161 0.004 -0.303) 8.167 11.277 ( -3.531 -3.117 -1.277) 4.880 11.385 ( -6.513 -4.011 3.960) 8.613 12.338 ( 11.002 5.393 -6.582) 13.908 12.897 ( 6.078 2.824 7.874) 10.340 13.042 ( 8.037 -6.209 -0.956) 10.201 13.149 ( 3.201 -4.626 2.545) 6.174 16.564 ( -4.631 4.294 3.489) 7.215 16.800 ( 0.091 4.324 17.609) 18.132 17.100 ( -9.612 15.530 -0.189) 18.265 17.443 ( -15.223 12.122 13.582) 23.731 17.779 ( 10.631 -10.636 0.135) 15.039 18.132 ( 8.503 -8.322 -1.200) 11.958 18.304 ( 3.331 -3.515 -6.853) 8.391 18.370 ( -2.771 0.696 -14.669) 14.944 21.107 ( 1.270 -0.532 -1.353) 1.931 21.350 ( 4.835 0.815 4.290) 6.515 21.460 ( -0.672 -2.977 -8.402) 8.939 21.844 ( -3.912 -3.742 0.381) 5.427 ======================= Grid point 326 (157/170) ======================= q-point: ( 0.36 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 12.103 2.797 -4.924) 13.362 2.159 ( 16.600 7.987 -10.728) 21.318 2.401 ( -10.180 1.881 5.712) 11.823 2.508 ( -8.483 -2.681 -4.226) 9.849 2.806 ( 2.179 -0.485 -0.815) 2.377 2.857 ( -0.823 1.267 8.962) 9.088 3.020 ( 0.504 0.023 -1.811) 1.880 3.173 ( -5.383 -1.878 8.468) 10.208 3.207 ( -1.420 -4.149 0.128) 4.387 3.255 ( -13.095 2.590 2.519) 13.585 3.466 ( -3.241 -1.826 0.677) 3.781 3.639 ( -7.560 -0.913 -12.143) 14.333 3.772 ( 2.314 0.624 -5.195) 5.721 3.796 ( -0.793 -3.491 -5.407) 6.485 3.995 ( 15.782 -3.881 -5.873) 17.281 4.104 ( 20.596 -8.604 -2.060) 22.415 4.448 ( -3.058 -0.882 -2.176) 3.855 4.764 ( 4.821 8.696 4.049) 10.736 5.036 ( 11.160 8.292 0.309) 13.907 5.238 ( 1.024 0.476 -1.296) 1.719 5.382 ( -10.978 -0.412 -0.430) 10.994 5.398 ( -8.051 0.576 0.228) 8.075 5.523 ( -0.920 2.122 1.380) 2.693 5.767 ( -6.546 2.707 6.579) 9.668 5.877 ( 1.746 -1.738 0.090) 2.465 6.043 ( -3.302 4.209 3.430) 6.355 6.161 ( -3.711 -2.746 -10.449) 11.423 6.332 ( 0.434 -0.537 0.479) 0.840 7.202 ( 2.783 4.632 4.360) 6.943 7.394 ( -0.904 5.144 -1.479) 5.428 7.690 ( -0.260 5.318 7.053) 8.837 7.989 ( -3.695 11.667 9.311) 15.377 8.120 ( 6.446 3.645 -8.198) 11.047 8.340 ( 0.680 0.656 -9.592) 9.639 9.265 ( 1.932 -1.796 1.539) 3.054 9.481 ( 3.023 -3.438 -2.291) 5.119 9.715 ( 2.546 -0.202 -1.533) 2.978 10.094 ( -1.111 -2.690 -7.443) 7.992 10.270 ( 2.044 -2.463 6.413) 7.168 10.454 ( 1.558 4.508 -2.259) 5.277 10.681 ( -6.572 -0.541 3.414) 7.426 10.690 ( -0.100 7.209 0.357) 7.219 11.213 ( -1.751 -1.599 -2.247) 3.267 11.315 ( -7.356 -3.634 2.843) 8.683 12.472 ( 11.818 3.184 -1.762) 12.365 12.961 ( -4.480 -3.467 0.580) 5.694 13.155 ( 6.881 1.846 2.853) 7.674 13.254 ( 5.009 -2.817 1.885) 6.048 16.549 ( -0.650 10.760 1.797) 10.928 16.860 ( -11.187 12.605 2.785) 17.082 17.041 ( 0.023 14.858 10.274) 18.064 17.341 ( -15.967 12.244 13.796) 24.396 17.964 ( 9.751 -8.473 -0.261) 12.920 18.179 ( 0.668 0.350 -12.200) 12.223 18.194 ( 6.656 -2.611 -9.514) 11.901 18.341 ( 3.793 -9.507 1.091) 10.294 21.101 ( 1.080 -6.443 -2.087) 6.858 21.301 ( -5.134 -9.434 -3.716) 11.365 21.531 ( 7.798 1.963 1.531) 8.186 21.793 ( -3.645 -3.192 0.939) 4.935 ======================= Grid point 327 (158/170) ======================= q-point: ( 0.45 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 11.218 -3.543 2.570) 12.042 2.265 ( 3.154 -0.097 -10.446) 10.913 2.328 ( -3.113 0.938 2.328) 3.998 2.366 ( -3.503 4.802 2.114) 6.308 2.847 ( 4.086 1.436 -0.643) 4.379 2.904 ( -3.330 1.662 3.684) 5.237 2.994 ( -0.006 2.982 -0.750) 3.075 3.065 ( -9.867 1.950 1.073) 10.115 3.189 ( -0.896 -1.645 0.928) 2.091 3.199 ( -2.380 -2.780 3.897) 5.346 3.400 ( 2.403 -1.785 -9.857) 10.302 3.424 ( -6.283 -1.374 -0.643) 6.464 3.760 ( -1.672 -4.519 1.661) 5.097 3.763 ( 1.924 -1.069 -3.723) 4.326 4.185 ( 13.377 -10.903 -1.877) 17.359 4.344 ( -8.079 -8.317 2.228) 11.807 4.507 ( 26.053 -9.741 -0.642) 27.822 4.892 ( -8.270 -1.543 0.768) 8.448 4.966 ( -5.890 -1.307 1.128) 6.138 5.151 ( -7.392 6.774 -3.994) 10.792 5.292 ( 8.542 1.595 0.855) 8.731 5.456 ( -7.075 1.982 0.844) 7.396 5.507 ( 6.697 12.554 6.455) 15.625 5.704 ( -8.012 8.092 -2.765) 11.718 5.858 ( 0.303 0.487 2.619) 2.681 5.949 ( -2.473 -0.784 -8.639) 9.020 6.178 ( 5.349 2.721 4.090) 7.262 6.294 ( -4.370 1.665 -1.590) 4.939 7.302 ( 3.565 5.748 3.089) 7.435 7.364 ( -1.503 5.877 -1.337) 6.212 7.802 ( 4.247 4.179 7.622) 9.674 7.955 ( -7.926 8.000 0.448) 11.270 8.148 ( 6.907 2.983 -5.086) 9.082 8.225 ( -3.632 2.137 -4.408) 6.098 9.341 ( 3.917 -2.399 3.271) 5.639 9.440 ( -3.312 -2.784 -3.332) 5.461 9.807 ( 7.611 -4.507 2.027) 9.075 9.960 ( -6.307 -5.372 -5.002) 9.678 10.375 ( 3.563 1.297 2.999) 4.834 10.438 ( -0.989 3.838 -2.051) 4.462 10.655 ( -1.087 4.630 3.707) 6.030 10.691 ( -0.425 4.609 -1.571) 4.888 11.186 ( 2.270 -1.578 -2.627) 3.813 11.230 ( -6.362 -2.619 2.273) 7.246 12.656 ( 11.272 0.171 1.418) 11.362 12.838 ( -8.982 -2.440 -2.033) 9.527 13.274 ( 3.652 2.027 2.525) 4.881 13.312 ( 0.893 0.077 -0.279) 0.939 16.591 ( 4.324 15.432 0.701) 16.041 16.701 ( -9.122 17.306 0.003) 19.563 17.156 ( 5.562 11.050 1.096) 12.419 17.248 ( -12.139 11.202 9.204) 18.909 18.032 ( 1.164 -0.860 0.469) 1.521 18.073 ( 1.571 1.602 -8.388) 8.683 18.282 ( 9.137 -7.391 -1.962) 11.915 18.367 ( -3.030 -7.880 1.451) 8.566 21.116 ( 2.963 -11.393 -0.356) 11.777 21.188 ( -4.697 -12.116 -2.187) 13.177 21.655 ( 5.920 0.305 1.162) 6.041 21.740 ( -4.326 -1.477 0.252) 4.578 ======================= Grid point 333 (159/170) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 1.743 1.964 -9.689) 10.038 2.128 ( -1.743 1.964 9.689) 10.038 2.407 ( 3.950 6.466 -14.382) 16.255 2.407 ( -3.950 6.466 14.382) 16.255 2.767 ( -1.743 -1.980 -2.046) 3.338 2.767 ( 1.743 -1.980 2.046) 3.338 2.935 ( 3.522 -5.856 -4.960) 8.444 2.935 ( -3.522 -5.856 4.960) 8.444 3.271 ( -1.175 -7.835 -2.671) 8.361 3.271 ( 1.175 -7.835 2.671) 8.361 3.659 ( -6.319 3.131 -6.560) 9.631 3.659 ( 6.319 3.131 6.560) 9.631 4.414 ( -10.777 -0.599 -2.507) 11.081 4.414 ( 10.777 -0.599 2.507) 11.081 4.548 ( -0.675 25.039 -18.757) 31.293 4.548 ( 0.675 25.039 18.757) 31.293 4.793 ( -1.620 12.211 -7.967) 14.670 4.793 ( 1.620 12.211 7.967) 14.670 5.065 ( 0.759 9.507 -3.563) 10.181 5.065 ( -0.759 9.507 3.563) 10.181 5.223 ( 3.785 -0.711 -10.207) 10.909 5.223 ( -3.785 -0.711 10.207) 10.909 5.738 ( 4.242 -7.073 -4.041) 9.185 5.738 ( -4.242 -7.073 4.041) 9.185 5.885 ( -5.023 1.871 -5.401) 7.609 5.885 ( 5.023 1.871 5.401) 7.609 6.226 ( -1.196 -13.064 -12.228) 17.934 6.226 ( 1.196 -13.064 12.228) 17.934 7.248 ( -4.797 -1.863 -0.859) 5.218 7.248 ( 4.797 -1.863 0.859) 5.218 7.695 ( 3.145 -3.924 -4.167) 6.531 7.695 ( -3.145 -3.924 4.167) 6.531 8.270 ( -0.564 8.533 -5.224) 10.021 8.270 ( 0.564 8.533 5.224) 10.021 9.395 ( 0.922 3.333 -3.823) 5.155 9.395 ( -0.922 3.333 3.823) 5.155 9.986 ( 1.102 12.317 -10.739) 16.378 9.986 ( -1.102 12.317 10.739) 16.378 10.574 ( -6.419 3.160 -6.593) 9.729 10.574 ( 6.419 3.160 6.593) 9.729 10.846 ( 5.040 -6.182 -9.929) 12.736 10.846 ( -5.040 -6.182 9.929) 12.736 11.294 ( 0.160 -8.596 -5.992) 10.479 11.294 ( -0.160 -8.596 5.992) 10.479 12.400 ( 0.020 3.943 -10.642) 11.349 12.400 ( -0.020 3.943 10.642) 11.349 12.785 ( -0.350 -3.016 -6.990) 7.621 12.785 ( 0.350 -3.016 6.990) 7.621 16.548 ( -6.420 -9.097 -0.733) 11.158 16.548 ( 6.420 -9.097 0.733) 11.158 16.759 ( -2.165 -7.251 -3.265) 8.242 16.759 ( 2.165 -7.251 3.265) 8.242 18.258 ( -3.721 3.771 -1.745) 5.578 18.258 ( 3.721 3.771 1.745) 5.578 18.575 ( -7.954 5.816 -0.493) 9.866 18.575 ( 7.954 5.816 0.493) 9.866 21.062 ( -0.998 1.712 -2.234) 2.986 21.062 ( 0.998 1.712 2.234) 2.986 21.901 ( -0.178 1.821 -5.615) 5.906 21.901 ( 0.178 1.821 5.615) 5.906 ======================= Grid point 335 (160/170) ======================= q-point: ( 0.09 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 7.076 3.477 -4.769) 9.215 2.268 ( 3.204 5.078 8.514) 10.418 2.317 ( 5.315 8.709 -11.573) 15.428 2.490 ( -3.930 1.460 11.249) 12.005 2.722 ( -2.000 -3.639 -0.276) 4.162 2.819 ( 1.118 0.666 3.078) 3.342 2.940 ( -1.021 -7.796 4.568) 9.093 2.971 ( 1.567 -5.551 1.560) 5.975 3.186 ( -6.226 -8.051 -1.641) 10.309 3.318 ( 1.265 -6.476 0.749) 6.641 3.441 ( -7.041 4.034 -9.034) 12.144 3.705 ( -4.398 -4.086 -1.408) 6.166 4.199 ( -7.877 9.284 -4.609) 13.019 4.330 ( -1.429 23.199 -12.774) 26.522 4.529 ( -1.059 3.647 -10.458) 11.127 4.586 ( 0.021 8.062 -9.086) 12.147 4.777 ( 1.729 15.352 11.328) 19.158 4.856 ( -1.344 13.186 -2.105) 13.420 5.055 ( -1.137 6.482 2.249) 6.954 5.130 ( 2.310 2.086 -7.867) 8.460 5.214 ( 6.449 8.783 4.274) 11.704 5.273 ( -0.182 1.342 9.668) 9.763 5.723 ( -2.350 -4.161 5.047) 6.950 5.749 ( -3.554 0.531 -5.320) 6.419 5.816 ( 7.822 -6.141 -3.597) 10.575 5.948 ( -1.821 -8.448 -6.970) 11.103 6.122 ( 0.717 -6.303 2.057) 6.669 6.339 ( -5.620 -12.791 13.752) 19.603 7.179 ( -3.610 0.180 1.231) 3.819 7.345 ( 4.616 -3.351 2.135) 6.090 7.713 ( 4.119 -0.611 -1.778) 4.528 7.736 ( 6.240 -2.726 -2.146) 7.139 8.222 ( 0.353 9.909 -2.668) 10.268 8.344 ( 0.761 6.296 5.503) 8.397 9.374 ( 2.136 3.734 -4.786) 6.435 9.426 ( 0.689 1.536 1.223) 2.081 9.890 ( 1.420 10.467 -9.141) 13.969 10.073 ( -2.681 12.109 9.912) 15.877 10.382 ( -6.667 -0.097 -8.205) 10.573 10.672 ( -0.403 2.620 -1.405) 3.000 10.793 ( -4.613 -0.764 1.682) 4.969 10.852 ( -3.643 -6.679 7.091) 10.400 11.246 ( 0.008 -8.270 -3.200) 8.867 11.352 ( -2.409 -7.942 6.536) 10.564 12.337 ( 7.594 5.384 -11.313) 14.651 12.555 ( 6.014 2.198 8.485) 10.630 12.734 ( 3.366 -1.808 -5.668) 6.836 12.883 ( 2.397 -4.704 6.040) 8.022 16.509 ( -0.528 -2.046 4.793) 5.238 16.626 ( 0.542 -5.588 0.776) 5.667 16.781 ( 7.824 -9.101 4.035) 12.662 16.950 ( 12.466 -12.118 6.011) 18.395 18.123 ( -8.749 7.648 -3.079) 12.021 18.305 ( 0.982 2.678 -2.850) 4.033 18.405 ( -11.168 6.849 -0.403) 13.107 18.635 ( 0.169 1.505 -1.742) 2.309 21.062 ( 2.681 2.023 -0.426) 3.385 21.137 ( 4.117 1.642 3.436) 5.608 21.789 ( -4.060 2.649 -8.283) 9.597 21.916 ( -3.739 -0.576 2.277) 4.415 ======================= Grid point 336 (161/170) ======================= q-point: ( 0.18 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 4.383 8.258 -10.480) 14.044 2.242 ( 4.991 14.892 -9.583) 18.399 2.438 ( 2.568 3.141 5.993) 7.237 2.534 ( -2.440 -4.051 7.438) 8.814 2.740 ( 1.352 -5.170 5.431) 7.620 2.863 ( -0.903 2.463 4.119) 4.884 2.952 ( -6.404 -6.889 -1.422) 9.513 2.998 ( 0.754 -7.863 2.978) 8.442 3.099 ( -4.859 -6.195 9.821) 12.587 3.286 ( 2.095 -1.038 -6.989) 7.370 3.347 ( -1.550 -4.600 -0.042) 4.855 3.603 ( -2.273 -7.906 -1.350) 8.336 4.053 ( -4.321 13.703 -6.252) 15.669 4.160 ( -10.669 10.688 -5.884) 16.208 4.316 ( -0.369 20.398 -16.569) 26.282 4.430 ( -3.008 0.212 -18.851) 19.091 4.762 ( -4.410 8.565 -5.197) 10.946 4.875 ( 1.449 8.414 -0.665) 8.564 5.047 ( 0.350 2.370 2.964) 3.811 5.095 ( -1.731 7.203 2.741) 7.899 5.382 ( 6.811 8.242 4.962) 11.787 5.457 ( 8.281 1.774 7.727) 11.465 5.635 ( -5.316 -0.834 -2.117) 5.782 5.702 ( -3.922 -7.391 -8.610) 12.006 5.807 ( -5.508 -10.493 4.760) 12.771 5.911 ( 7.054 -6.441 -2.135) 9.788 6.201 ( 2.175 -1.645 3.954) 4.803 6.358 ( -6.683 -7.743 8.002) 12.987 7.168 ( -0.686 2.768 2.813) 4.006 7.423 ( 2.455 -3.309 1.556) 4.405 7.768 ( 3.730 4.885 -0.514) 6.168 7.851 ( 10.717 0.397 -1.787) 10.872 8.220 ( 1.625 8.679 -0.873) 8.873 8.403 ( 0.846 4.389 2.656) 5.200 9.337 ( -0.193 2.835 -5.564) 6.248 9.428 ( 1.222 0.572 -3.162) 3.438 9.848 ( 2.458 6.301 -5.187) 8.523 10.107 ( -6.593 8.778 9.641) 14.611 10.220 ( -0.604 -3.583 -9.343) 10.025 10.591 ( -2.743 2.504 -3.840) 5.342 10.723 ( -9.520 -2.736 6.772) 11.999 10.895 ( -1.029 2.603 3.750) 4.680 11.215 ( -1.333 -7.493 -0.569) 7.632 11.348 ( -5.476 -6.049 4.522) 9.329 12.375 ( 10.912 6.175 -9.619) 15.803 12.762 ( 11.140 -3.916 1.573) 11.913 12.781 ( 5.904 2.163 3.111) 7.015 12.981 ( 2.573 -4.961 4.588) 7.230 16.594 ( 0.647 1.609 5.979) 6.226 16.697 ( 2.789 4.408 11.319) 12.463 16.990 ( 14.557 -11.436 0.448) 18.517 17.258 ( 14.085 -12.340 10.369) 21.405 17.932 ( -11.047 10.392 -2.514) 15.373 18.168 ( -12.326 10.209 0.589) 16.016 18.309 ( 1.057 -2.720 -7.088) 7.665 18.550 ( -4.626 -0.882 -6.306) 7.870 21.111 ( 2.651 1.930 -0.154) 3.283 21.250 ( 4.296 0.548 3.938) 5.854 21.607 ( -5.849 2.075 -9.520) 11.365 21.846 ( -6.083 -3.504 0.187) 7.023 ======================= Grid point 337 (162/170) ======================= q-point: ( 0.27 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 0.863 11.849 -11.418) 16.478 2.242 ( 7.623 9.852 -8.344) 14.993 2.476 ( -5.308 -1.863 4.290) 7.074 2.581 ( 0.689 -0.340 0.567) 0.955 2.783 ( -3.834 -4.445 -3.352) 6.760 2.809 ( -1.348 0.829 4.897) 5.147 2.937 ( 2.372 -2.228 3.605) 4.857 3.050 ( -0.655 -7.188 5.395) 9.012 3.179 ( -7.223 -2.757 14.701) 16.610 3.251 ( 1.015 -6.880 -2.212) 7.298 3.387 ( 6.344 -5.240 1.420) 8.349 3.620 ( 1.719 -7.685 1.926) 8.107 3.882 ( -13.166 6.050 -5.578) 15.527 3.920 ( -4.498 7.985 -4.919) 10.402 4.089 ( -5.757 1.599 -22.166) 22.957 4.196 ( 3.375 17.293 -16.613) 24.216 4.600 ( -9.805 0.300 -4.636) 10.850 4.879 ( 1.916 10.600 0.794) 10.801 5.068 ( 3.483 6.156 -0.684) 7.106 5.186 ( 1.318 -0.938 3.300) 3.675 5.453 ( -8.129 -10.127 -3.577) 13.470 5.503 ( 1.535 3.058 0.173) 3.426 5.570 ( 0.160 3.371 1.361) 3.639 5.694 ( 7.944 -0.969 4.045) 8.967 5.808 ( -5.878 -1.954 8.720) 10.696 5.986 ( 4.626 -6.536 -0.944) 8.063 6.239 ( -1.997 -0.918 -0.178) 2.205 6.336 ( 0.008 0.316 0.284) 0.425 7.215 ( 1.601 5.253 4.437) 7.060 7.464 ( 2.406 -0.126 -0.339) 2.433 7.795 ( -2.049 7.803 2.763) 8.528 8.007 ( 11.706 1.900 -3.066) 12.250 8.237 ( -1.268 7.003 2.073) 7.412 8.422 ( 1.973 2.102 -3.867) 4.824 9.267 ( -1.032 1.735 -3.563) 4.095 9.409 ( 1.818 -1.880 -4.160) 4.913 9.800 ( -2.102 4.036 -4.180) 6.179 10.098 ( -1.950 -7.002 -2.513) 7.690 10.178 ( 1.674 5.667 2.987) 6.621 10.541 ( -0.009 2.438 -1.355) 2.789 10.665 ( -6.359 -0.771 5.790) 8.635 10.881 ( -3.071 6.457 0.499) 7.167 11.192 ( -1.726 -5.806 0.461) 6.074 11.297 ( -5.938 -5.091 3.062) 8.399 12.449 ( 9.979 6.284 -6.780) 13.603 12.868 ( 4.982 -6.405 -1.509) 8.254 12.999 ( 9.501 1.817 6.740) 11.790 13.083 ( 5.182 -2.232 4.234) 7.054 16.663 ( 1.601 6.195 4.612) 7.887 16.895 ( -0.057 5.113 16.118) 16.909 17.230 ( 14.735 -1.795 -0.464) 14.851 17.570 ( 8.726 -4.829 11.640) 15.328 17.745 ( -10.942 10.083 0.762) 14.898 18.041 ( -2.632 1.964 0.944) 3.417 18.233 ( 1.209 -3.744 -9.362) 10.156 18.382 ( -4.035 -0.107 -10.380) 11.137 21.098 ( -2.699 -0.358 -3.181) 4.187 21.283 ( -5.116 -6.252 -2.938) 8.596 21.482 ( 2.689 4.041 -2.087) 5.283 21.762 ( -4.667 -4.784 1.128) 6.778 ======================= Grid point 338 (163/170) ======================= q-point: ( 0.36 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 2.450 6.080 -5.613) 8.630 2.298 ( 9.353 6.522 -6.517) 13.133 2.395 ( -8.324 -4.193 -0.337) 9.326 2.506 ( -4.328 3.046 -2.452) 5.833 2.778 ( 4.830 -1.520 -1.322) 5.234 2.865 ( 1.074 0.300 4.777) 4.906 3.006 ( 1.755 -0.675 2.681) 3.274 3.082 ( -1.810 -5.657 3.485) 6.886 3.162 ( -4.274 -2.025 4.579) 6.582 3.279 ( -4.276 -3.129 4.223) 6.775 3.420 ( -6.502 -0.916 0.784) 6.613 3.618 ( -7.268 -1.814 -3.267) 8.173 3.696 ( -1.611 -2.705 -4.834) 5.769 3.793 ( -0.887 0.258 -7.520) 7.576 3.906 ( 5.988 -5.875 -2.015) 8.628 4.122 ( 8.721 9.696 -12.570) 18.113 4.376 ( -12.663 -7.172 -2.244) 14.725 4.956 ( -0.117 6.235 2.593) 6.754 5.016 ( -9.549 -11.444 -5.995) 16.065 5.183 ( 8.518 5.260 2.526) 10.325 5.405 ( -7.519 1.968 3.994) 8.738 5.506 ( 8.147 9.095 -3.208) 12.624 5.652 ( 1.760 6.979 4.917) 8.716 5.789 ( -4.742 -0.436 7.842) 9.175 5.831 ( 4.612 -2.764 -2.606) 5.975 6.055 ( 3.489 -5.027 0.870) 6.180 6.147 ( -3.977 4.892 -3.817) 7.370 6.347 ( 0.692 0.388 -1.721) 1.895 7.314 ( 3.857 6.845 5.391) 9.529 7.498 ( 2.955 4.764 -1.366) 5.770 7.786 ( -3.591 4.949 5.299) 8.091 8.120 ( 8.170 -1.717 -8.280) 11.758 8.207 ( -6.729 8.593 6.071) 12.489 8.376 ( 1.404 2.626 -8.321) 8.838 9.250 ( 1.580 0.338 0.009) 1.616 9.405 ( 1.818 -4.310 -2.077) 5.118 9.725 ( -1.509 1.560 -2.568) 3.362 9.996 ( -4.415 -6.569 -5.712) 9.761 10.291 ( 4.788 3.739 5.731) 8.351 10.555 ( 2.916 3.828 -1.448) 5.025 10.644 ( -3.871 -0.199 4.864) 6.219 10.833 ( -2.696 6.341 -0.559) 6.913 11.168 ( -0.867 -3.215 -0.905) 3.451 11.232 ( -6.051 -4.742 2.349) 8.038 12.545 ( 9.156 4.495 -2.887) 10.601 12.870 ( -1.708 -5.743 -1.961) 6.305 13.196 ( 6.898 2.130 5.015) 8.790 13.227 ( 6.445 -0.248 3.422) 7.301 16.748 ( 3.413 9.949 3.558) 11.104 16.995 ( -4.700 4.323 8.307) 10.478 17.382 ( 3.658 15.366 1.629) 15.879 17.599 ( -12.753 13.023 7.610) 19.753 17.811 ( 10.903 -5.194 4.911) 13.037 18.110 ( 6.548 -6.110 -0.334) 8.962 18.173 ( 1.864 -4.981 -2.970) 6.091 18.219 ( -0.218 1.338 -12.173) 12.248 20.979 ( -4.993 -6.021 -4.794) 9.174 21.105 ( -8.218 -10.435 -5.769) 14.482 21.568 ( 5.098 2.080 2.096) 5.892 21.728 ( -2.496 -3.478 2.109) 4.773 ======================= Grid point 339 (164/170) ======================= q-point: ( 0.45 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 5.924 -1.303 1.717) 6.304 2.194 ( -8.554 -5.062 -6.488) 11.869 2.397 ( 5.525 4.266 0.202) 6.983 2.460 ( -1.675 4.094 -0.598) 4.463 2.864 ( 6.972 0.394 -1.446) 7.131 2.912 ( -1.145 -0.083 2.550) 2.797 3.036 ( 0.790 -0.092 -0.574) 0.981 3.066 ( -4.140 0.348 1.847) 4.546 3.170 ( -2.486 -0.762 5.246) 5.855 3.201 ( -5.047 1.813 1.081) 5.470 3.336 ( 0.234 -3.440 -3.987) 5.271 3.397 ( -6.772 -0.954 -5.500) 8.776 3.705 ( 1.596 -1.183 3.320) 3.869 3.771 ( -0.071 0.207 -3.314) 3.321 3.993 ( 8.500 -7.870 -3.053) 11.980 4.139 ( -11.130 -11.571 0.959) 16.084 4.310 ( 16.974 -9.727 0.557) 19.572 4.649 ( -19.619 -15.685 -5.010) 25.613 5.125 ( 7.510 10.841 4.482) 13.929 5.283 ( -6.929 7.498 -2.181) 10.440 5.385 ( 10.050 5.951 3.131) 12.092 5.541 ( -2.952 5.440 -3.217) 6.976 5.737 ( 3.231 9.747 6.137) 11.963 5.820 ( -3.061 2.409 6.014) 7.165 5.837 ( 2.529 -2.332 -2.381) 4.184 5.955 ( -4.007 2.884 -9.709) 10.892 6.202 ( 4.093 0.248 5.122) 6.561 6.304 ( -2.448 -0.546 -3.416) 4.238 7.435 ( 3.893 7.847 4.214) 9.720 7.505 ( -0.156 8.373 -2.413) 8.715 7.838 ( 1.318 -0.245 8.655) 8.759 8.004 ( -5.317 -2.680 -9.719) 11.398 8.246 ( 2.445 7.094 2.522) 7.916 8.309 ( -0.907 5.354 -4.330) 6.946 9.307 ( 3.699 -0.975 1.998) 4.315 9.385 ( -2.362 -2.889 -1.922) 4.198 9.734 ( 4.274 -2.858 0.781) 5.200 9.852 ( -6.423 -5.719 -3.951) 9.465 10.429 ( 5.152 4.319 4.449) 8.061 10.535 ( -2.293 6.341 -3.616) 7.651 10.687 ( 2.015 -0.753 5.175) 5.604 10.776 ( -2.815 3.051 -2.760) 4.985 11.153 ( 1.439 -1.853 -2.295) 3.282 11.172 ( -4.480 -3.079 2.504) 5.985 12.668 ( 7.910 1.058 0.317) 7.987 12.789 ( -5.568 -2.724 -1.875) 6.476 13.314 ( 2.608 2.000 2.463) 4.107 13.325 ( 2.496 1.093 0.739) 2.823 16.847 ( 5.612 11.143 1.541) 12.572 16.949 ( -6.839 8.834 1.593) 11.285 17.435 ( 4.948 15.833 -2.362) 16.755 17.501 ( -10.193 13.511 7.158) 18.376 17.992 ( 4.668 -2.697 4.223) 6.848 18.091 ( -0.065 -0.541 -8.817) 8.834 18.183 ( 5.776 -2.644 -1.137) 6.454 18.228 ( -0.085 -5.150 1.761) 5.443 20.892 ( -0.372 -11.422 -1.726) 11.557 20.942 ( -5.583 -12.929 -2.842) 14.366 21.657 ( 3.799 0.070 1.110) 3.959 21.708 ( -2.582 -1.706 0.812) 3.199 ======================= Grid point 345 (165/170) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 0.053 -2.643 -3.984) 4.781 2.096 ( -0.053 -2.643 3.984) 4.781 2.529 ( 2.227 6.692 -6.515) 9.601 2.529 ( -2.227 6.692 6.515) 9.601 2.720 ( 2.050 -5.857 -4.394) 7.604 2.720 ( -2.050 -5.857 4.394) 7.604 2.935 ( -0.257 6.444 -5.419) 8.423 2.935 ( 0.257 6.444 5.419) 8.423 3.111 ( -1.365 -8.420 -4.083) 9.456 3.111 ( 1.365 -8.420 4.083) 9.456 3.710 ( -2.676 1.664 -2.523) 4.037 3.710 ( 2.676 1.664 2.523) 4.037 4.379 ( -4.906 -1.471 -0.862) 5.194 4.379 ( 4.906 -1.471 0.862) 5.194 4.924 ( 0.601 10.154 -7.043) 12.372 4.924 ( -0.601 10.154 7.043) 12.372 5.018 ( -4.773 7.691 -7.513) 11.763 5.018 ( 4.773 7.691 7.513) 11.763 5.199 ( -1.788 8.243 -7.203) 11.092 5.199 ( 1.788 8.243 7.203) 11.092 5.317 ( 4.029 6.421 -11.417) 13.705 5.317 ( -4.029 6.421 11.417) 13.705 5.560 ( 2.058 -6.831 -4.951) 8.684 5.560 ( -2.058 -6.831 4.951) 8.684 5.853 ( -0.523 -10.666 -12.564) 16.489 5.853 ( 0.523 -10.666 12.564) 16.489 6.011 ( -2.549 -3.259 -6.020) 7.305 6.011 ( 2.549 -3.259 6.020) 7.305 7.233 ( -2.418 -0.050 0.069) 2.420 7.233 ( 2.418 -0.050 -0.069) 2.420 7.628 ( 1.443 -2.335 -1.768) 3.265 7.628 ( -1.443 -2.335 1.768) 3.265 8.382 ( -0.015 3.072 -2.061) 3.700 8.382 ( 0.015 3.072 2.061) 3.700 9.440 ( 0.386 1.268 -1.266) 1.833 9.440 ( -0.386 1.268 1.266) 1.833 10.229 ( 0.900 11.916 -10.844) 16.137 10.229 ( -0.900 11.916 10.844) 16.137 10.513 ( -2.278 -8.483 -10.086) 13.375 10.513 ( 2.278 -8.483 10.086) 13.375 10.832 ( 1.851 3.333 -4.089) 5.591 10.832 ( -1.851 3.333 4.089) 5.591 11.142 ( -0.123 -6.159 -3.859) 7.269 11.142 ( 0.123 -6.159 3.859) 7.269 12.451 ( 0.001 1.344 -4.783) 4.968 12.451 ( -0.001 1.344 4.783) 4.968 12.747 ( 0.044 -0.996 -3.223) 3.374 12.747 ( -0.044 -0.996 3.223) 3.374 16.423 ( -1.525 -3.558 -0.152) 3.874 16.423 ( 1.525 -3.558 0.152) 3.874 16.673 ( -0.196 -2.118 -1.411) 2.552 16.673 ( 0.196 -2.118 1.411) 2.552 18.301 ( -1.119 1.017 -0.663) 1.652 18.301 ( 1.119 1.017 0.663) 1.652 18.651 ( -2.811 2.062 -0.183) 3.491 18.651 ( 2.811 2.062 0.183) 3.491 21.085 ( -0.508 0.638 -0.985) 1.279 21.085 ( 0.508 0.638 0.985) 1.279 21.926 ( -0.037 0.731 -2.130) 2.253 21.926 ( 0.037 0.731 2.130) 2.253 ======================= Grid point 347 (166/170) ======================= q-point: ( 0.09 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 4.830 1.087 2.838) 5.707 2.216 ( 4.475 -6.871 9.840) 12.809 2.491 ( 1.880 9.403 -4.915) 10.775 2.570 ( 0.914 4.379 1.965) 4.886 2.720 ( 0.182 -2.635 1.790) 3.191 2.769 ( 0.897 -5.967 4.713) 7.657 2.856 ( -2.193 3.673 -4.671) 6.333 2.971 ( -1.391 -0.819 -1.716) 2.356 3.051 ( -2.763 -0.584 2.387) 3.698 3.178 ( 1.061 -8.137 3.018) 8.743 3.527 ( -8.941 4.863 -7.974) 12.930 3.620 ( -8.550 -4.803 -5.702) 11.344 4.335 ( 0.037 6.533 -2.939) 7.163 4.455 ( 4.371 -5.974 -5.814) 9.412 4.732 ( -11.977 14.678 -4.617) 19.498 4.841 ( -2.248 10.358 -7.590) 13.036 4.933 ( -7.614 2.910 -0.089) 8.152 5.055 ( -2.645 -0.990 -3.692) 4.648 5.176 ( 1.186 11.657 -0.232) 11.720 5.220 ( -0.202 11.459 -3.753) 12.060 5.341 ( 7.353 4.420 -0.715) 8.609 5.390 ( 0.326 0.319 5.889) 5.907 5.578 ( 0.647 -10.870 -0.755) 10.915 5.593 ( 2.890 -8.318 -1.616) 8.953 5.727 ( -0.246 -0.760 -5.518) 5.576 5.862 ( -5.022 -4.062 -1.826) 6.713 6.047 ( 3.754 -1.477 9.142) 9.993 6.109 ( -2.215 -8.598 12.625) 15.434 7.214 ( -1.107 3.183 2.035) 3.937 7.281 ( 2.275 -3.536 1.923) 4.624 7.688 ( 7.779 -1.168 -0.768) 7.903 7.691 ( 9.857 -1.505 -3.521) 10.575 8.370 ( -0.471 5.249 0.322) 5.280 8.413 ( -0.582 0.741 3.898) 4.011 9.428 ( 0.914 1.857 -3.125) 3.748 9.444 ( 0.470 0.167 -1.041) 1.154 10.100 ( -0.216 11.036 -12.405) 16.605 10.268 ( -0.197 -1.946 -7.236) 7.496 10.358 ( -9.663 7.741 5.135) 13.404 10.587 ( -6.261 -11.359 7.754) 15.111 10.794 ( -2.067 4.838 -0.615) 5.297 10.864 ( 1.953 0.741 1.895) 2.821 11.123 ( -0.615 -2.243 0.855) 2.479 11.198 ( -1.078 -7.680 6.182) 9.918 12.439 ( 7.118 5.350 -7.362) 11.554 12.532 ( 6.913 -3.980 -0.546) 7.996 12.749 ( 2.110 2.577 1.167) 3.529 12.807 ( 1.834 -3.432 4.708) 6.108 16.495 ( 7.627 0.630 3.067) 8.245 16.538 ( 12.003 -3.823 0.473) 12.606 16.693 ( -0.116 0.026 6.323) 6.324 16.764 ( 5.608 -7.067 6.820) 11.309 18.238 ( -3.481 4.564 -3.929) 6.956 18.301 ( 0.685 -2.070 -3.898) 4.466 18.541 ( -9.938 6.325 -0.485) 11.790 18.626 ( -4.863 -2.489 -1.173) 5.587 21.105 ( 2.749 2.358 0.903) 3.732 21.141 ( 3.510 -1.119 2.576) 4.496 21.844 ( -5.205 2.920 -4.949) 7.753 21.892 ( -5.073 -1.973 -0.893) 5.516 ======================= Grid point 348 (167/170) ======================= q-point: ( 0.18 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 3.450 4.289 2.268) 5.953 2.370 ( 0.869 -7.098 6.167) 9.443 2.508 ( 4.215 9.646 -1.732) 10.669 2.597 ( 1.291 7.623 -1.111) 7.811 2.719 ( -0.408 1.193 0.257) 1.287 2.799 ( 0.740 -4.252 2.210) 4.849 2.819 ( -4.748 -6.522 -4.158) 9.076 2.889 ( -0.726 -7.450 4.438) 8.702 3.062 ( -3.887 4.787 6.529) 8.980 3.186 ( -3.375 -7.072 1.107) 7.914 3.369 ( -1.051 4.136 -4.146) 5.950 3.469 ( -1.717 -6.184 -2.868) 7.030 4.234 ( -4.533 6.566 -10.854) 13.471 4.326 ( -5.743 -1.010 -13.409) 14.622 4.476 ( -13.366 12.354 -6.958) 19.486 4.724 ( -10.040 -2.986 -0.831) 10.508 4.765 ( -4.292 15.172 -9.992) 18.666 5.021 ( 1.375 -0.411 -2.352) 2.755 5.093 ( -3.309 5.316 -1.205) 6.377 5.229 ( -3.049 3.533 -0.440) 4.688 5.364 ( -0.195 -8.051 -5.499) 9.751 5.459 ( 3.106 -3.126 2.102) 4.883 5.546 ( 2.234 -1.086 2.911) 3.827 5.595 ( 1.010 -3.937 -2.454) 4.748 5.760 ( 1.300 3.754 3.703) 5.431 5.833 ( 2.129 -2.869 -0.112) 3.574 6.181 ( 2.573 0.314 6.883) 7.355 6.234 ( 0.747 -5.165 9.541) 10.875 7.248 ( 1.448 5.216 3.421) 6.404 7.346 ( 2.709 -4.804 2.746) 6.161 7.821 ( 10.211 1.448 -2.134) 10.531 7.842 ( 13.291 -0.929 -3.432) 13.758 8.367 ( -1.383 6.190 1.371) 6.489 8.438 ( -1.787 -1.014 3.395) 3.968 9.387 ( -0.699 2.319 -5.034) 5.587 9.421 ( -0.076 -1.181 -3.952) 4.126 9.978 ( 0.125 7.046 -8.955) 11.396 10.106 ( -3.588 -6.149 -9.958) 12.241 10.318 ( -6.705 11.083 6.612) 14.544 10.522 ( -8.321 -9.463 3.966) 13.211 10.773 ( -1.144 8.199 1.597) 8.431 10.922 ( 0.775 -4.179 3.316) 5.390 11.122 ( -1.980 1.125 2.157) 3.137 11.222 ( -3.565 -6.908 4.691) 9.079 12.501 ( 10.199 7.115 -7.227) 14.383 12.640 ( 9.839 -7.201 -4.507) 13.000 12.849 ( 5.435 3.239 6.308) 8.935 12.906 ( 3.954 -3.077 5.481) 7.426 16.655 ( 6.812 5.123 3.831) 9.344 16.788 ( 7.226 -7.912 4.768) 11.728 16.825 ( 14.219 7.434 9.036) 18.414 17.019 ( 13.881 -11.955 10.918) 21.326 18.108 ( -6.304 7.977 -5.111) 11.380 18.233 ( -2.176 -5.248 -6.747) 8.821 18.363 ( -10.499 9.237 -0.735) 14.003 18.498 ( -7.504 -4.830 -3.119) 9.454 21.159 ( 1.752 3.102 0.138) 3.565 21.221 ( 2.104 -3.008 1.671) 4.033 21.676 ( -7.376 4.737 -5.508) 10.353 21.768 ( -7.516 -4.651 -1.886) 9.038 ======================= Grid point 349 (168/170) ======================= q-point: ( 0.27 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -2.247 8.028 -4.091) 9.286 2.384 ( -4.057 -5.606 1.945) 7.188 2.443 ( 0.255 10.140 -8.758) 13.401 2.625 ( -4.985 -3.622 -6.162) 8.715 2.687 ( 4.748 1.824 3.005) 5.908 2.831 ( 4.509 -8.975 3.613) 10.674 2.854 ( 3.474 5.001 2.530) 6.594 2.975 ( 1.494 -4.779 5.715) 7.598 3.083 ( -3.710 -1.924 9.286) 10.183 3.132 ( -6.052 -4.140 5.286) 9.040 3.388 ( 4.750 3.277 0.252) 5.776 3.483 ( 3.041 -6.420 0.797) 7.148 3.969 ( -9.986 4.144 -13.517) 17.309 4.039 ( -8.000 -2.747 -18.430) 20.279 4.183 ( -15.349 15.044 -3.201) 21.729 4.472 ( -17.277 -13.141 -2.453) 21.845 4.578 ( -5.046 20.972 -12.450) 24.905 4.963 ( -9.273 -18.147 -8.620) 22.127 5.063 ( 0.655 6.757 2.178) 7.130 5.134 ( 2.623 0.010 0.362) 2.648 5.422 ( 3.381 6.102 5.544) 8.911 5.544 ( 4.827 -2.384 2.372) 5.883 5.603 ( 3.354 1.670 -1.201) 3.935 5.660 ( 7.348 -2.944 0.310) 7.922 5.811 ( -0.481 2.829 4.672) 5.483 5.882 ( 2.444 -4.356 2.120) 5.426 6.263 ( 0.659 2.619 2.033) 3.380 6.315 ( 1.618 -2.351 1.903) 3.431 7.328 ( 3.240 6.135 4.409) 8.220 7.427 ( 3.875 -3.812 2.700) 6.069 7.920 ( 3.831 5.347 -1.643) 6.781 7.996 ( 10.872 -2.581 -4.902) 12.203 8.355 ( -2.218 5.332 1.850) 6.064 8.427 ( -1.324 -1.859 -0.582) 2.355 9.310 ( -1.438 2.601 -4.376) 5.291 9.362 ( -0.689 -2.810 -4.552) 5.394 9.886 ( -2.316 4.817 -5.956) 8.003 9.981 ( -1.995 -5.387 -5.784) 8.152 10.307 ( -1.696 7.777 5.010) 9.406 10.460 ( -4.036 -7.779 4.139) 9.692 10.782 ( -0.458 9.719 1.203) 9.804 10.941 ( -1.944 -3.892 1.269) 4.532 11.111 ( -1.845 0.953 1.921) 2.828 11.196 ( -4.503 -5.573 2.613) 7.627 12.578 ( 8.341 7.371 -5.581) 12.452 12.725 ( 6.538 -7.955 -3.977) 11.038 13.036 ( 8.065 1.563 6.974) 10.777 13.057 ( 7.052 -0.877 5.895) 9.233 16.797 ( 4.669 7.619 5.592) 10.541 16.924 ( 1.076 -4.014 9.784) 10.630 17.217 ( 22.187 4.828 5.263) 23.308 17.389 ( 17.322 -11.264 8.997) 22.536 17.951 ( -8.225 9.769 -1.156) 12.823 18.091 ( -6.909 -3.740 -3.607) 8.645 18.227 ( -3.637 6.418 -4.103) 8.441 18.345 ( -5.297 -4.223 -5.729) 8.871 21.106 ( -6.071 1.641 -4.897) 7.971 21.169 ( -7.334 -4.996 -5.276) 10.324 21.571 ( -0.821 5.017 0.397) 5.099 21.667 ( -3.677 -5.100 1.242) 6.409 ======================= Grid point 350 (169/170) ======================= q-point: ( 0.36 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -5.016 8.060 -5.088) 10.771 2.275 ( -8.211 -7.608 -4.116) 11.926 2.420 ( 4.670 6.224 -3.698) 8.615 2.518 ( -0.223 -3.068 -3.671) 4.789 2.793 ( 4.705 3.559 0.786) 5.952 2.875 ( 1.899 -2.223 -0.027) 2.924 2.966 ( 5.723 1.044 0.009) 5.817 3.055 ( 3.975 -2.165 2.046) 4.967 3.097 ( -4.221 -0.848 6.834) 8.077 3.172 ( -4.882 -5.684 12.351) 14.446 3.454 ( -2.046 3.453 1.164) 4.179 3.537 ( -1.062 -5.110 2.032) 5.600 3.701 ( -5.071 1.611 -10.240) 11.539 3.746 ( -1.183 -3.599 -11.500) 12.108 3.955 ( -9.649 9.328 -0.896) 13.451 4.172 ( -16.350 -11.945 -2.007) 20.348 4.360 ( -5.679 13.959 -10.853) 18.571 4.668 ( -13.914 -17.710 -8.525) 24.082 5.162 ( 5.977 8.038 4.248) 10.881 5.243 ( 7.129 -0.026 4.017) 8.183 5.500 ( -0.653 7.500 3.243) 8.197 5.645 ( 1.796 -1.925 -0.814) 2.756 5.663 ( 6.860 1.648 1.123) 7.144 5.752 ( 7.125 -3.825 -4.922) 9.467 5.856 ( -1.013 5.630 6.615) 8.745 5.959 ( 1.791 -5.011 5.385) 7.571 6.247 ( -1.245 5.043 -2.665) 5.838 6.324 ( -0.070 -2.790 -2.440) 3.707 7.445 ( 4.764 6.410 5.164) 9.511 7.531 ( 5.328 -1.859 2.883) 6.336 7.898 ( -3.505 7.015 -1.592) 8.002 8.032 ( 1.098 -6.501 -6.813) 9.481 8.344 ( -1.193 5.295 1.750) 5.703 8.401 ( 1.538 -0.631 -3.973) 4.307 9.275 ( 0.964 2.102 -1.008) 2.522 9.328 ( 1.047 -3.555 -1.662) 4.062 9.779 ( -3.874 4.033 -3.825) 6.775 9.874 ( -4.542 -5.912 -4.683) 8.804 10.387 ( 3.942 5.995 5.562) 9.078 10.503 ( 2.557 -5.803 5.215) 8.210 10.762 ( -2.333 8.727 -1.579) 9.170 10.887 ( -4.167 -2.295 -1.883) 5.117 11.113 ( -0.490 -0.640 1.635) 1.823 11.153 ( -3.497 -3.546 1.735) 5.273 12.641 ( 5.856 5.588 -3.054) 8.652 12.755 ( 2.106 -6.227 -2.757) 7.128 13.226 ( 6.777 0.924 5.215) 8.601 13.231 ( 6.739 0.266 4.615) 8.172 16.920 ( 3.251 7.900 5.305) 10.055 17.023 ( -0.898 -2.121 7.324) 7.677 17.555 ( 14.042 5.357 -0.211) 15.030 17.662 ( 7.444 -4.945 -0.959) 8.988 17.885 ( -2.590 9.014 8.987) 12.990 18.014 ( 0.396 -4.401 2.098) 4.891 18.155 ( -0.383 2.902 -2.806) 4.054 18.219 ( -1.204 -1.972 -7.034) 7.404 20.899 ( -9.661 -1.590 -6.779) 11.909 20.940 ( -10.586 -5.994 -7.069) 14.070 21.612 ( 2.091 2.565 2.474) 4.132 21.665 ( -0.544 -3.106 2.590) 4.080 ======================= Grid point 351 (170/170) ======================= q-point: ( 0.45 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -0.656 2.051 -0.834) 2.309 2.100 ( -6.259 -4.521 -3.939) 8.668 2.468 ( 3.913 2.928 -1.309) 5.060 2.498 ( -0.306 -0.051 -0.978) 1.026 2.868 ( 4.562 0.644 -0.592) 4.645 2.897 ( 0.345 -1.884 0.191) 1.925 3.044 ( 5.451 2.879 -0.973) 6.241 3.098 ( -4.344 0.516 4.277) 6.118 3.141 ( 3.693 -0.966 1.271) 4.024 3.185 ( -3.280 -3.014 2.350) 5.036 3.340 ( -5.888 2.906 -0.755) 6.609 3.384 ( -7.985 -1.225 -4.261) 9.133 3.710 ( 5.092 1.938 1.950) 5.787 3.757 ( 2.128 -1.724 -0.924) 2.891 3.902 ( 1.191 -1.634 1.415) 2.468 3.959 ( -8.440 -6.858 0.393) 10.882 4.210 ( 1.449 1.441 -4.783) 5.202 4.365 ( -13.293 -13.150 -6.105) 19.670 5.321 ( 7.181 8.979 4.771) 12.448 5.420 ( 6.288 1.036 5.241) 8.251 5.468 ( -2.738 7.060 -1.640) 7.748 5.594 ( -4.314 -2.133 -4.877) 6.852 5.755 ( 1.075 -1.351 3.779) 4.155 5.781 ( 4.026 -2.940 -5.447) 7.384 5.938 ( 1.828 6.939 6.273) 9.531 6.010 ( -1.130 0.117 0.046) 1.137 6.217 ( 0.806 2.079 0.435) 2.272 6.271 ( -1.662 -2.809 -3.830) 5.033 7.578 ( 4.560 6.577 4.701) 9.282 7.633 ( 3.050 2.752 0.375) 4.125 7.828 ( -2.678 1.251 1.900) 3.514 7.913 ( -4.237 -5.895 -7.265) 10.271 8.359 ( 0.858 3.922 0.798) 4.093 8.382 ( 0.240 1.575 -2.335) 2.827 9.306 ( 2.339 0.832 0.868) 2.630 9.336 ( 0.121 -2.174 -0.448) 2.223 9.710 ( -0.417 0.555 -0.993) 1.211 9.756 ( -4.443 -4.092 -2.637) 6.591 10.529 ( 5.811 5.824 5.394) 9.838 10.630 ( 5.538 -3.720 4.541) 8.070 10.672 ( -4.939 6.234 -3.348) 8.630 10.776 ( -5.515 -3.277 -4.292) 7.719 11.124 ( 0.286 -0.690 0.365) 0.831 11.131 ( -1.409 -1.250 1.091) 2.177 12.696 ( 3.597 1.884 -0.599) 4.104 12.738 ( -1.122 -2.526 -1.350) 3.076 13.343 ( 2.500 0.848 2.135) 3.395 13.344 ( 2.744 0.650 1.562) 3.223 17.010 ( 2.675 5.796 2.391) 6.817 17.051 ( -2.239 1.750 2.304) 3.659 17.641 ( 3.215 4.869 -3.104) 6.609 17.662 ( -2.678 2.600 0.936) 3.848 17.996 ( 3.222 3.361 3.627) 5.902 18.054 ( -0.324 -2.230 -1.788) 2.877 18.171 ( 2.585 0.992 1.892) 3.353 18.191 ( 2.358 -0.510 -1.018) 2.619 20.726 ( -3.809 -4.768 -2.920) 6.765 20.744 ( -5.641 -6.592 -3.246) 9.263 21.662 ( 1.540 0.550 1.091) 1.966 21.680 ( -0.638 -1.257 1.055) 1.761 =================== 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 3/35640 10.0 3804.046 3251.646 4510.894 0.000 -418.515 0.000 3/35640 20.0 353.168 402.317 418.744 0.000 12.652 0.000 3/35640 30.0 103.280 115.460 124.526 0.000 3.919 0.000 3/35640 40.0 50.460 54.887 60.407 0.000 1.922 0.000 3/35640 50.0 31.669 33.818 37.440 0.000 1.215 0.000 3/35640 60.0 22.706 23.979 26.527 0.000 0.875 0.000 3/35640 70.0 17.591 18.452 20.356 0.000 0.678 0.000 3/35640 80.0 14.322 14.959 16.453 0.000 0.551 0.000 3/35640 90.0 12.068 12.568 13.785 0.000 0.463 0.000 3/35640 100.0 10.428 10.837 11.858 0.000 0.398 0.000 3/35640 110.0 9.185 9.529 10.405 0.000 0.349 0.000 3/35640 120.0 8.212 8.507 9.273 0.000 0.311 0.000 3/35640 130.0 7.431 7.688 8.367 0.000 0.281 0.000 3/35640 140.0 6.790 7.017 7.626 0.000 0.255 0.000 3/35640 150.0 6.255 6.458 7.008 0.000 0.235 0.000 3/35640 160.0 5.802 5.983 6.486 0.000 0.217 0.000 3/35640 170.0 5.412 5.577 6.038 0.000 0.202 0.000 3/35640 180.0 5.074 5.223 5.649 0.000 0.189 0.000 3/35640 190.0 4.777 4.914 5.309 0.000 0.178 0.000 3/35640 200.0 4.515 4.641 5.009 0.000 0.168 0.000 3/35640 210.0 4.281 4.397 4.742 0.000 0.159 0.000 3/35640 220.0 4.071 4.178 4.503 0.000 0.151 0.000 3/35640 230.0 3.881 3.981 4.287 0.000 0.143 0.000 3/35640 240.0 3.709 3.803 4.092 0.000 0.137 0.000 3/35640 250.0 3.552 3.640 3.914 0.000 0.131 0.000 3/35640 260.0 3.408 3.491 3.751 0.000 0.126 0.000 3/35640 270.0 3.276 3.354 3.602 0.000 0.121 0.000 3/35640 280.0 3.154 3.227 3.464 0.000 0.116 0.000 3/35640 290.0 3.041 3.110 3.337 0.000 0.112 0.000 3/35640 300.0 2.936 3.002 3.219 0.000 0.108 0.000 3/35640 310.0 2.838 2.901 3.109 0.000 0.104 0.000 3/35640 320.0 2.746 2.806 3.007 0.000 0.101 0.000 3/35640 330.0 2.661 2.718 2.911 0.000 0.098 0.000 3/35640 340.0 2.581 2.635 2.821 0.000 0.095 0.000 3/35640 350.0 2.505 2.557 2.737 0.000 0.092 0.000 3/35640 360.0 2.434 2.484 2.658 0.000 0.089 0.000 3/35640 370.0 2.367 2.415 2.583 0.000 0.087 0.000 3/35640 380.0 2.303 2.349 2.512 0.000 0.084 0.000 3/35640 390.0 2.243 2.288 2.446 0.000 0.082 0.000 3/35640 400.0 2.186 2.229 2.382 0.000 0.080 0.000 3/35640 410.0 2.132 2.173 2.322 0.000 0.078 0.000 3/35640 420.0 2.080 2.120 2.265 0.000 0.076 0.000 3/35640 430.0 2.031 2.070 2.211 0.000 0.074 0.000 3/35640 440.0 1.984 2.022 2.159 0.000 0.073 0.000 3/35640 450.0 1.940 1.976 2.110 0.000 0.071 0.000 3/35640 460.0 1.897 1.933 2.063 0.000 0.069 0.000 3/35640 470.0 1.856 1.891 2.018 0.000 0.068 0.000 3/35640 480.0 1.817 1.851 1.975 0.000 0.066 0.000 3/35640 490.0 1.780 1.812 1.934 0.000 0.065 0.000 3/35640 500.0 1.744 1.776 1.894 0.000 0.064 0.000 3/35640 510.0 1.709 1.740 1.856 0.000 0.062 0.000 3/35640 520.0 1.676 1.706 1.820 0.000 0.061 0.000 3/35640 530.0 1.644 1.674 1.785 0.000 0.060 0.000 3/35640 540.0 1.614 1.642 1.751 0.000 0.059 0.000 3/35640 550.0 1.584 1.612 1.719 0.000 0.058 0.000 3/35640 560.0 1.556 1.583 1.688 0.000 0.057 0.000 3/35640 570.0 1.528 1.555 1.657 0.000 0.056 0.000 3/35640 580.0 1.502 1.528 1.628 0.000 0.055 0.000 3/35640 590.0 1.476 1.502 1.600 0.000 0.054 0.000 3/35640 600.0 1.451 1.476 1.573 0.000 0.053 0.000 3/35640 610.0 1.427 1.452 1.547 0.000 0.052 0.000 3/35640 620.0 1.404 1.428 1.522 0.000 0.051 0.000 3/35640 630.0 1.382 1.405 1.497 0.000 0.050 0.000 3/35640 640.0 1.360 1.383 1.474 0.000 0.050 0.000 3/35640 650.0 1.339 1.362 1.451 0.000 0.049 0.000 3/35640 660.0 1.319 1.341 1.428 0.000 0.048 0.000 3/35640 670.0 1.299 1.321 1.407 0.000 0.047 0.000 3/35640 680.0 1.280 1.301 1.386 0.000 0.047 0.000 3/35640 690.0 1.261 1.282 1.366 0.000 0.046 0.000 3/35640 700.0 1.243 1.264 1.346 0.000 0.045 0.000 3/35640 710.0 1.225 1.246 1.327 0.000 0.045 0.000 3/35640 720.0 1.208 1.228 1.308 0.000 0.044 0.000 3/35640 730.0 1.192 1.212 1.290 0.000 0.043 0.000 3/35640 740.0 1.176 1.195 1.272 0.000 0.043 0.000 3/35640 750.0 1.160 1.179 1.255 0.000 0.042 0.000 3/35640 760.0 1.144 1.163 1.239 0.000 0.042 0.000 3/35640 770.0 1.130 1.148 1.222 0.000 0.041 0.000 3/35640 780.0 1.115 1.133 1.207 0.000 0.041 0.000 3/35640 790.0 1.101 1.119 1.191 0.000 0.040 0.000 3/35640 800.0 1.087 1.105 1.176 0.000 0.040 0.000 3/35640 810.0 1.074 1.091 1.161 0.000 0.039 0.000 3/35640 820.0 1.061 1.078 1.147 0.000 0.039 0.000 3/35640 830.0 1.048 1.065 1.133 0.000 0.038 0.000 3/35640 840.0 1.035 1.052 1.120 0.000 0.038 0.000 3/35640 850.0 1.023 1.040 1.106 0.000 0.037 0.000 3/35640 860.0 1.011 1.028 1.093 0.000 0.037 0.000 3/35640 870.0 0.999 1.016 1.081 0.000 0.036 0.000 3/35640 880.0 0.988 1.004 1.068 0.000 0.036 0.000 3/35640 890.0 0.977 0.993 1.056 0.000 0.036 0.000 3/35640 900.0 0.966 0.982 1.045 0.000 0.035 0.000 3/35640 910.0 0.955 0.971 1.033 0.000 0.035 0.000 3/35640 920.0 0.945 0.960 1.022 0.000 0.034 0.000 3/35640 930.0 0.935 0.950 1.011 0.000 0.034 0.000 3/35640 940.0 0.925 0.940 1.000 0.000 0.034 0.000 3/35640 950.0 0.915 0.930 0.989 0.000 0.033 0.000 3/35640 960.0 0.906 0.920 0.979 0.000 0.033 0.000 3/35640 970.0 0.896 0.911 0.969 0.000 0.033 0.000 3/35640 980.0 0.887 0.901 0.959 0.000 0.032 0.000 3/35640 990.0 0.878 0.892 0.949 0.000 0.032 0.000 3/35640 1000.0 0.869 0.883 0.940 0.000 0.032 0.000 3/35640 Thermal conductivity related properties were written into "kappa-m1196.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:53:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|