# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/340d050d-367c-4f34-8fdd-e976ec50011f/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Sm2Se2O / P2_1/c (14) / materials id 755362](https://mdr.nims.go.jp/datasets/c19617f5-a35b-4471-b377-1b06511485d0) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 23:41:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 2] 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 8.632589753692471 0.000000000000000 0.000000000000000 b 0.000000000000000 7.143542690000000 0.000000000000000 c -1.309621518876636 0.000000000000000 7.064244768602364Atomic positions (fractional): *1 Sm 0.14232482308551 0.55168632307858 0.75230637660000 150.360 2 Sm 0.14232482308551 0.94831367692142 0.25230637660000 150.360 *3 Sm 0.42750838124137 0.15173221103088 0.67027543975697 150.360 4 Sm 0.42750838124137 0.34826778896912 0.17027543975697 150.360 5 Sm 0.57249161875863 0.65173221103088 0.82972456024303 150.360 6 Sm 0.57249161875863 0.84826778896912 0.32972456024303 150.360 7 Sm 0.85767517691449 0.05168632307858 0.74769362340000 150.360 8 Sm 0.85767517691449 0.44831367692142 0.24769362340000 150.360 *9 Se 0.07709041732065 0.21978313815149 0.52957396601238 78.960 10 Se 0.07709041732065 0.28021686184850 0.02957396601238 78.960 *11 Se 0.31634766941286 0.87734830194254 0.92562541390440 78.960 12 Se 0.31634766941286 0.62265169805746 0.42562541390440 78.960 13 Se 0.68365233058714 0.37734830194254 0.57437458609560 78.960 14 Se 0.68365233058714 0.12265169805746 0.07437458609560 78.960 15 Se 0.92290958267935 0.71978313815149 0.97042603398762 78.960 16 Se 0.92290958267935 0.78021686184851 0.47042603398762 78.960 *17 O 0.38648115953330 0.41555742825033 0.84983392045756 15.999 18 O 0.38648115953330 0.08444257174967 0.34983392045756 15.999 19 O 0.61351884046670 0.91555742825034 0.65016607954244 15.999 20 O 0.61351884046670 0.58444257174966 0.15016607954244 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 8.632589753692471 0.000000000000000 0.000000000000000 b 0.000000000000000 7.143542690000000 0.000000000000000 c -1.309621518876636 0.000000000000000 7.064244768602364Atomic positions (fractional): *1 Sm 0.14232482308551 0.55168632307858 0.75230637660000 150.360 > 1 2 Sm 0.14232482308551 0.94831367692142 0.25230637660000 150.360 > 2 *3 Sm 0.42750838124137 0.15173221103088 0.67027543975697 150.360 > 3 4 Sm 0.42750838124137 0.34826778896912 0.17027543975697 150.360 > 4 5 Sm 0.57249161875863 0.65173221103088 0.82972456024303 150.360 > 5 6 Sm 0.57249161875863 0.84826778896912 0.32972456024303 150.360 > 6 7 Sm 0.85767517691449 0.05168632307858 0.74769362340000 150.360 > 7 8 Sm 0.85767517691449 0.44831367692142 0.24769362340000 150.360 > 8 *9 Se 0.07709041732065 0.21978313815149 0.52957396601238 78.960 > 9 10 Se 0.07709041732065 0.28021686184850 0.02957396601238 78.960 > 10 *11 Se 0.31634766941286 0.87734830194254 0.92562541390440 78.960 > 11 12 Se 0.31634766941286 0.62265169805746 0.42562541390440 78.960 > 12 13 Se 0.68365233058714 0.37734830194254 0.57437458609560 78.960 > 13 14 Se 0.68365233058714 0.12265169805746 0.07437458609560 78.960 > 14 15 Se 0.92290958267935 0.71978313815149 0.97042603398762 78.960 > 15 16 Se 0.92290958267935 0.78021686184851 0.47042603398762 78.960 > 16 *17 O 0.38648115953330 0.41555742825033 0.84983392045756 15.999 > 17 18 O 0.38648115953330 0.08444257174967 0.34983392045756 15.999 > 18 19 O 0.61351884046670 0.91555742825034 0.65016607954244 15.999 > 19 20 O 0.61351884046670 0.58444257174966 0.15016607954244 15.999 > 20-------------------------------- super cell --------------------------------Lattice vectors: a 8.632589753692471 0.000000000000000 0.000000000000000 b 0.000000000000000 14.287085380000001 0.000000000000000 c -2.619243037753272 0.000000000000000 14.128489537204729Atomic positions (fractional): *1 Sm 0.14232482308551 0.27584316153929 0.37615318830000 150.360 > 1 2 Sm 0.14232482308551 0.77584316153929 0.37615318830000 150.360 > 1 3 Sm 0.14232482308551 0.27584316153929 0.87615318830000 150.360 > 1 4 Sm 0.14232482308551 0.77584316153929 0.87615318830000 150.360 > 1 5 Sm 0.14232482308551 0.47415683846071 0.12615318830000 150.360 > 2 6 Sm 0.14232482308551 0.97415683846071 0.12615318830000 150.360 > 2 7 Sm 0.14232482308551 0.47415683846071 0.62615318830000 150.360 > 2 8 Sm 0.14232482308551 0.97415683846071 0.62615318830000 150.360 > 2 *9 Sm 0.42750838124137 0.07586610551544 0.33513771987849 150.360 > 3 10 Sm 0.42750838124137 0.57586610551544 0.33513771987849 150.360 > 3 11 Sm 0.42750838124137 0.07586610551544 0.83513771987849 150.360 > 3 12 Sm 0.42750838124137 0.57586610551544 0.83513771987849 150.360 > 3 13 Sm 0.42750838124137 0.17413389448456 0.08513771987849 150.360 > 4 14 Sm 0.42750838124137 0.67413389448456 0.08513771987849 150.360 > 4 15 Sm 0.42750838124137 0.17413389448456 0.58513771987849 150.360 > 4 16 Sm 0.42750838124137 0.67413389448456 0.58513771987849 150.360 > 4 17 Sm 0.57249161875863 0.32586610551544 0.41486228012151 150.360 > 5 18 Sm 0.57249161875863 0.82586610551544 0.41486228012151 150.360 > 5 19 Sm 0.57249161875863 0.32586610551544 0.91486228012151 150.360 > 5 20 Sm 0.57249161875863 0.82586610551544 0.91486228012151 150.360 > 5 21 Sm 0.57249161875863 0.42413389448456 0.16486228012151 150.360 > 6 22 Sm 0.57249161875863 0.92413389448456 0.16486228012151 150.360 > 6 23 Sm 0.57249161875863 0.42413389448456 0.66486228012151 150.360 > 6 24 Sm 0.57249161875863 0.92413389448456 0.66486228012151 150.360 > 6 25 Sm 0.85767517691449 0.02584316153929 0.37384681170000 150.360 > 7 26 Sm 0.85767517691449 0.52584316153929 0.37384681170000 150.360 > 7 27 Sm 0.85767517691449 0.02584316153929 0.87384681170000 150.360 > 7 28 Sm 0.85767517691449 0.52584316153929 0.87384681170000 150.360 > 7 29 Sm 0.85767517691449 0.22415683846071 0.12384681170000 150.360 > 8 30 Sm 0.85767517691449 0.72415683846071 0.12384681170000 150.360 > 8 31 Sm 0.85767517691449 0.22415683846071 0.62384681170000 150.360 > 8 32 Sm 0.85767517691449 0.72415683846071 0.62384681170000 150.360 > 8 *33 Se 0.07709041732065 0.10989156907575 0.26478698300619 78.960 > 9 34 Se 0.07709041732065 0.60989156907575 0.26478698300619 78.960 > 9 35 Se 0.07709041732065 0.10989156907575 0.76478698300619 78.960 > 9 36 Se 0.07709041732065 0.60989156907575 0.76478698300619 78.960 > 9 37 Se 0.07709041732065 0.14010843092425 0.01478698300619 78.960 > 10 38 Se 0.07709041732065 0.64010843092425 0.01478698300619 78.960 > 10 39 Se 0.07709041732065 0.14010843092425 0.51478698300619 78.960 > 10 40 Se 0.07709041732065 0.64010843092425 0.51478698300619 78.960 > 10 *41 Se 0.31634766941286 0.43867415097127 0.46281270695220 78.960 > 11 42 Se 0.31634766941286 0.93867415097127 0.46281270695220 78.960 > 11 43 Se 0.31634766941286 0.43867415097127 0.96281270695220 78.960 > 11 44 Se 0.31634766941286 0.93867415097127 0.96281270695220 78.960 > 11 45 Se 0.31634766941286 0.31132584902873 0.21281270695220 78.960 > 12 46 Se 0.31634766941286 0.81132584902873 0.21281270695220 78.960 > 12 47 Se 0.31634766941286 0.31132584902873 0.71281270695220 78.960 > 12 48 Se 0.31634766941286 0.81132584902873 0.71281270695220 78.960 > 12 49 Se 0.68365233058714 0.18867415097127 0.28718729304780 78.960 > 13 50 Se 0.68365233058714 0.68867415097127 0.28718729304780 78.960 > 13 51 Se 0.68365233058714 0.18867415097127 0.78718729304780 78.960 > 13 52 Se 0.68365233058714 0.68867415097127 0.78718729304780 78.960 > 13 53 Se 0.68365233058714 0.06132584902873 0.03718729304780 78.960 > 14 54 Se 0.68365233058714 0.56132584902873 0.03718729304780 78.960 > 14 55 Se 0.68365233058714 0.06132584902873 0.53718729304780 78.960 > 14 56 Se 0.68365233058714 0.56132584902873 0.53718729304780 78.960 > 14 57 Se 0.92290958267935 0.35989156907575 0.48521301699381 78.960 > 15 58 Se 0.92290958267935 0.85989156907575 0.48521301699381 78.960 > 15 59 Se 0.92290958267935 0.35989156907575 0.98521301699381 78.960 > 15 60 Se 0.92290958267935 0.85989156907575 0.98521301699381 78.960 > 15 61 Se 0.92290958267935 0.39010843092425 0.23521301699381 78.960 > 16 62 Se 0.92290958267935 0.89010843092425 0.23521301699381 78.960 > 16 63 Se 0.92290958267935 0.39010843092425 0.73521301699381 78.960 > 16 64 Se 0.92290958267935 0.89010843092425 0.73521301699381 78.960 > 16 *65 O 0.38648115953330 0.20777871412517 0.42491696022878 15.999 > 17 66 O 0.38648115953330 0.70777871412517 0.42491696022878 15.999 > 17 67 O 0.38648115953330 0.20777871412517 0.92491696022878 15.999 > 17 68 O 0.38648115953330 0.70777871412517 0.92491696022878 15.999 > 17 69 O 0.38648115953330 0.04222128587483 0.17491696022878 15.999 > 18 70 O 0.38648115953330 0.54222128587483 0.17491696022878 15.999 > 18 71 O 0.38648115953330 0.04222128587483 0.67491696022878 15.999 > 18 72 O 0.38648115953330 0.54222128587483 0.67491696022878 15.999 > 18 73 O 0.61351884046670 0.45777871412517 0.32508303977122 15.999 > 19 74 O 0.61351884046670 0.95777871412517 0.32508303977122 15.999 > 19 75 O 0.61351884046670 0.45777871412517 0.82508303977122 15.999 > 19 76 O 0.61351884046670 0.95777871412517 0.82508303977122 15.999 > 19 77 O 0.61351884046670 0.29222128587483 0.07508303977122 15.999 > 20 78 O 0.61351884046670 0.79222128587483 0.07508303977122 15.999 > 20 79 O 0.61351884046670 0.29222128587483 0.57508303977122 15.999 > 20 80 O 0.61351884046670 0.79222128587483 0.57508303977122 15.999 > 20----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.7312087 0.0000000 -0.4169863 0.0000000 7.9392714 0.0000000 -0.4169896 0.0000000 7.6817996-------------------------- Born effective charges -------------------------- 1 Sm 3.9197885 0.0965093 -0.1531795 -0.1075892 4.2799528 0.0548278 -0.1265774 0.1898346 3.7779515 2 Sm 3.9197885 -0.0965093 -0.1531795 0.1075892 4.2799528 -0.0548278 -0.1265774 -0.1898346 3.7779515 3 Sm 4.1977117 -0.2076868 -0.3465552 -0.0914313 4.0433661 -0.0362768 -0.1762665 -0.0267138 4.1644788 4 Sm 4.1977117 0.2076868 -0.3465552 0.0914313 4.0433661 0.0362768 -0.1762665 0.0267138 4.1644788 5 Sm 4.1977117 0.2076868 -0.3465552 0.0914313 4.0433661 0.0362768 -0.1762665 0.0267138 4.1644788 6 Sm 4.1977117 -0.2076868 -0.3465552 -0.0914313 4.0433661 -0.0362768 -0.1762665 -0.0267138 4.1644788 7 Sm 3.9197885 -0.0965093 -0.1531795 0.1075892 4.2799528 -0.0548278 -0.1265774 -0.1898346 3.7779515 8 Sm 3.9197885 0.0965093 -0.1531795 -0.1075892 4.2799528 0.0548278 -0.1265774 0.1898346 3.7779515 9 Se -2.3133699 0.2877199 -0.1046544 0.1585753 -2.6889640 -0.2541940 0.0080173 -0.4944641 -2.4175261 10 Se -2.3133699 -0.2877199 -0.1046544 -0.1585753 -2.6889640 0.2541940 0.0080173 0.4944641 -2.4175261 11 Se -2.6115689 -0.1503995 0.4942874 -0.2086325 -2.5233947 -0.2687935 0.3375146 -0.2398306 -2.5590647 12 Se -2.6115689 0.1503995 0.4942874 0.2086325 -2.5233947 0.2687935 0.3375146 0.2398306 -2.5590647 13 Se -2.6115689 0.1503995 0.4942874 0.2086325 -2.5233947 0.2687935 0.3375146 0.2398306 -2.5590647 14 Se -2.6115689 -0.1503995 0.4942874 -0.2086325 -2.5233947 -0.2687935 0.3375146 -0.2398306 -2.5590647 15 Se -2.3133699 -0.2877199 -0.1046544 -0.1585753 -2.6889640 0.2541940 0.0080173 0.4944641 -2.4175261 16 Se -2.3133699 0.2877199 -0.1046544 0.1585753 -2.6889640 -0.2541940 0.0080173 -0.4944641 -2.4175261 17 O -3.1925613 0.1738394 0.1101018 0.2580872 -3.1109602 0.2114757 -0.0426881 0.1744835 -2.9658395 18 O -3.1925613 -0.1738394 0.1101018 -0.2580872 -3.1109602 -0.2114757 -0.0426881 -0.1744835 -2.9658395 19 O -3.1925613 -0.1738394 0.1101018 -0.2580872 -3.1109602 -0.2114757 -0.0426881 -0.1744835 -2.9658395 20 O -3.1925613 0.1738394 0.1101018 0.2580872 -3.1109602 0.2114757 -0.0426881 0.1744835 -2.9658395----------------------------------------------------------------------------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: 240/240Permutation basis: 7440/7440Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1860Number of blocks in projector: 1860Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 220Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 220Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 220Use standard eigh solver.Tree of FC basis block matrices:- (1860, 1816), data: False|-- (220, 215), data: True|-- (220, 215), data: True|-- (220, 215), data: True|-- (400, 391), data: True|-- (400, 390), data: True|-- (400, 390), data: True-----Solver_atoms: 1 -- 80 / 80Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 640 - Time: 2.139Solver_block: 200 / 640 - Time: 2.142Solver_block: 300 / 640 - Time: 2.138Solver_block: 400 / 640 - Time: 2.131Solver_block: 500 / 640 - Time: 2.142Solver_block: 600 / 640 - Time: 2.139Solver_block: 640 / 640 - Time: 0.915Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.791--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240Permutation basis: 7440/7440Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1860Number of blocks in projector: 1860Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 220Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 220Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 220Use standard eigh solver.Tree of FC basis block matrices:- (1860, 1816), data: False|-- (220, 215), data: True|-- (220, 215), data: True|-- (220, 215), data: True|-- (400, 391), data: True|-- (400, 390), data: True|-- (400, 390), data: TrueMax 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 23:42:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:42:22]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 8.632589753692471 0.000000000000000 0.000000000000000 b 0.000000000000000 7.143542690000000 0.000000000000000 c -1.309621518876636 0.000000000000000 7.064244768602364Atomic positions (fractional): 1 Sm 0.14232482308551 0.55168632307858 0.75230637660000 150.360 2 Sm 0.14232482308551 0.94831367692142 0.25230637660000 150.360 3 Sm 0.42750838124137 0.15173221103088 0.67027543975697 150.360 4 Sm 0.42750838124137 0.34826778896912 0.17027543975697 150.360 5 Sm 0.57249161875863 0.65173221103088 0.82972456024303 150.360 6 Sm 0.57249161875863 0.84826778896912 0.32972456024303 150.360 7 Sm 0.85767517691449 0.05168632307858 0.74769362340000 150.360 8 Sm 0.85767517691449 0.44831367692142 0.24769362340000 150.360 9 Se 0.07709041732065 0.21978313815149 0.52957396601238 78.960 10 Se 0.07709041732065 0.28021686184850 0.02957396601238 78.960 11 Se 0.31634766941286 0.87734830194254 0.92562541390440 78.960 12 Se 0.31634766941286 0.62265169805746 0.42562541390440 78.960 13 Se 0.68365233058714 0.37734830194254 0.57437458609560 78.960 14 Se 0.68365233058714 0.12265169805746 0.07437458609560 78.960 15 Se 0.92290958267935 0.71978313815149 0.97042603398762 78.960 16 Se 0.92290958267935 0.78021686184851 0.47042603398762 78.960 17 O 0.38648115953330 0.41555742825033 0.84983392045756 15.999 18 O 0.38648115953330 0.08444257174967 0.34983392045756 15.999 19 O 0.61351884046670 0.91555742825034 0.65016607954244 15.999 20 O 0.61351884046670 0.58444257174966 0.15016607954244 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 8.632589753692471 0.000000000000000 0.000000000000000 b 0.000000000000000 14.287085380000001 0.000000000000000 c -2.619243037753272 0.000000000000000 14.128489537204729Atomic positions (fractional): 1 Sm 0.14232482308551 0.27584316153929 0.37615318830000 150.360 > 1 2 Sm 0.14232482308551 0.77584316153929 0.37615318830000 150.360 > 1 3 Sm 0.14232482308551 0.27584316153929 0.87615318830000 150.360 > 1 4 Sm 0.14232482308551 0.77584316153929 0.87615318830000 150.360 > 1 5 Sm 0.14232482308551 0.47415683846071 0.12615318830000 150.360 > 5 6 Sm 0.14232482308551 0.97415683846071 0.12615318830000 150.360 > 5 7 Sm 0.14232482308551 0.47415683846071 0.62615318830000 150.360 > 5 8 Sm 0.14232482308551 0.97415683846071 0.62615318830000 150.360 > 5 9 Sm 0.42750838124137 0.07586610551544 0.33513771987849 150.360 > 9 10 Sm 0.42750838124137 0.57586610551544 0.33513771987849 150.360 > 9 11 Sm 0.42750838124137 0.07586610551544 0.83513771987849 150.360 > 9 12 Sm 0.42750838124137 0.57586610551544 0.83513771987849 150.360 > 9 13 Sm 0.42750838124137 0.17413389448456 0.08513771987849 150.360 > 13 14 Sm 0.42750838124137 0.67413389448456 0.08513771987849 150.360 > 13 15 Sm 0.42750838124137 0.17413389448456 0.58513771987849 150.360 > 13 16 Sm 0.42750838124137 0.67413389448456 0.58513771987849 150.360 > 13 17 Sm 0.57249161875863 0.32586610551544 0.41486228012151 150.360 > 17 18 Sm 0.57249161875863 0.82586610551544 0.41486228012151 150.360 > 17 19 Sm 0.57249161875863 0.32586610551544 0.91486228012151 150.360 > 17 20 Sm 0.57249161875863 0.82586610551544 0.91486228012151 150.360 > 17 21 Sm 0.57249161875863 0.42413389448456 0.16486228012151 150.360 > 21 22 Sm 0.57249161875863 0.92413389448456 0.16486228012151 150.360 > 21 23 Sm 0.57249161875863 0.42413389448456 0.66486228012151 150.360 > 21 24 Sm 0.57249161875863 0.92413389448456 0.66486228012151 150.360 > 21 25 Sm 0.85767517691449 0.02584316153929 0.37384681170000 150.360 > 25 26 Sm 0.85767517691449 0.52584316153929 0.37384681170000 150.360 > 25 27 Sm 0.85767517691449 0.02584316153929 0.87384681170000 150.360 > 25 28 Sm 0.85767517691449 0.52584316153929 0.87384681170000 150.360 > 25 29 Sm 0.85767517691449 0.22415683846071 0.12384681170000 150.360 > 29 30 Sm 0.85767517691449 0.72415683846071 0.12384681170000 150.360 > 29 31 Sm 0.85767517691449 0.22415683846071 0.62384681170000 150.360 > 29 32 Sm 0.85767517691449 0.72415683846071 0.62384681170000 150.360 > 29 33 Se 0.07709041732065 0.10989156907575 0.26478698300619 78.960 > 33 34 Se 0.07709041732065 0.60989156907575 0.26478698300619 78.960 > 33 35 Se 0.07709041732065 0.10989156907575 0.76478698300619 78.960 > 33 36 Se 0.07709041732065 0.60989156907575 0.76478698300619 78.960 > 33 37 Se 0.07709041732065 0.14010843092425 0.01478698300619 78.960 > 37 38 Se 0.07709041732065 0.64010843092425 0.01478698300619 78.960 > 37 39 Se 0.07709041732065 0.14010843092425 0.51478698300619 78.960 > 37 40 Se 0.07709041732065 0.64010843092425 0.51478698300619 78.960 > 37 41 Se 0.31634766941286 0.43867415097127 0.46281270695220 78.960 > 41 42 Se 0.31634766941286 0.93867415097127 0.46281270695220 78.960 > 41 43 Se 0.31634766941286 0.43867415097127 0.96281270695220 78.960 > 41 44 Se 0.31634766941286 0.93867415097127 0.96281270695220 78.960 > 41 45 Se 0.31634766941286 0.31132584902873 0.21281270695220 78.960 > 45 46 Se 0.31634766941286 0.81132584902873 0.21281270695220 78.960 > 45 47 Se 0.31634766941286 0.31132584902873 0.71281270695220 78.960 > 45 48 Se 0.31634766941286 0.81132584902873 0.71281270695220 78.960 > 45 49 Se 0.68365233058714 0.18867415097127 0.28718729304780 78.960 > 49 50 Se 0.68365233058714 0.68867415097127 0.28718729304780 78.960 > 49 51 Se 0.68365233058714 0.18867415097127 0.78718729304780 78.960 > 49 52 Se 0.68365233058714 0.68867415097127 0.78718729304780 78.960 > 49 53 Se 0.68365233058714 0.06132584902873 0.03718729304780 78.960 > 53 54 Se 0.68365233058714 0.56132584902873 0.03718729304780 78.960 > 53 55 Se 0.68365233058714 0.06132584902873 0.53718729304780 78.960 > 53 56 Se 0.68365233058714 0.56132584902873 0.53718729304780 78.960 > 53 57 Se 0.92290958267935 0.35989156907575 0.48521301699381 78.960 > 57 58 Se 0.92290958267935 0.85989156907575 0.48521301699381 78.960 > 57 59 Se 0.92290958267935 0.35989156907575 0.98521301699381 78.960 > 57 60 Se 0.92290958267935 0.85989156907575 0.98521301699381 78.960 > 57 61 Se 0.92290958267935 0.39010843092425 0.23521301699381 78.960 > 61 62 Se 0.92290958267935 0.89010843092425 0.23521301699381 78.960 > 61 63 Se 0.92290958267935 0.39010843092425 0.73521301699381 78.960 > 61 64 Se 0.92290958267935 0.89010843092425 0.73521301699381 78.960 > 61 65 O 0.38648115953330 0.20777871412517 0.42491696022878 15.999 > 65 66 O 0.38648115953330 0.70777871412517 0.42491696022878 15.999 > 65 67 O 0.38648115953330 0.20777871412517 0.92491696022878 15.999 > 65 68 O 0.38648115953330 0.70777871412517 0.92491696022878 15.999 > 65 69 O 0.38648115953330 0.04222128587483 0.17491696022878 15.999 > 69 70 O 0.38648115953330 0.54222128587483 0.17491696022878 15.999 > 69 71 O 0.38648115953330 0.04222128587483 0.67491696022878 15.999 > 69 72 O 0.38648115953330 0.54222128587483 0.67491696022878 15.999 > 69 73 O 0.61351884046670 0.45777871412517 0.32508303977122 15.999 > 73 74 O 0.61351884046670 0.95777871412517 0.32508303977122 15.999 > 73 75 O 0.61351884046670 0.45777871412517 0.82508303977122 15.999 > 73 76 O 0.61351884046670 0.95777871412517 0.82508303977122 15.999 > 73 77 O 0.61351884046670 0.29222128587483 0.07508303977122 15.999 > 77 78 O 0.61351884046670 0.79222128587483 0.07508303977122 15.999 > 77 79 O 0.61351884046670 0.29222128587483 0.57508303977122 15.999 > 77 80 O 0.61351884046670 0.79222128587483 0.57508303977122 15.999 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.7312087 0.0000000 -0.4169863 0.0000000 7.9392714 0.0000000 -0.4169896 0.0000000 7.6817996-------------------------- Born effective charges -------------------------- 1 Sm 3.9197885 0.0965093 -0.1531795 -0.1075892 4.2799528 0.0548278 -0.1265774 0.1898346 3.7779515 2 Sm 3.9197885 -0.0965093 -0.1531795 0.1075892 4.2799528 -0.0548278 -0.1265774 -0.1898346 3.7779515 3 Sm 4.1977117 -0.2076868 -0.3465552 -0.0914313 4.0433661 -0.0362768 -0.1762665 -0.0267138 4.1644788 4 Sm 4.1977117 0.2076868 -0.3465552 0.0914313 4.0433661 0.0362768 -0.1762665 0.0267138 4.1644788 5 Sm 4.1977117 0.2076868 -0.3465552 0.0914313 4.0433661 0.0362768 -0.1762665 0.0267138 4.1644788 6 Sm 4.1977117 -0.2076868 -0.3465552 -0.0914313 4.0433661 -0.0362768 -0.1762665 -0.0267138 4.1644788 7 Sm 3.9197885 -0.0965093 -0.1531795 0.1075892 4.2799528 -0.0548278 -0.1265774 -0.1898346 3.7779515 8 Sm 3.9197885 0.0965093 -0.1531795 -0.1075892 4.2799528 0.0548278 -0.1265774 0.1898346 3.7779515 9 Se -2.3133699 0.2877199 -0.1046544 0.1585753 -2.6889640 -0.2541940 0.0080173 -0.4944641 -2.4175261 10 Se -2.3133699 -0.2877199 -0.1046544 -0.1585753 -2.6889640 0.2541940 0.0080173 0.4944641 -2.4175261 11 Se -2.6115689 -0.1503995 0.4942874 -0.2086325 -2.5233947 -0.2687935 0.3375146 -0.2398306 -2.5590647 12 Se -2.6115689 0.1503995 0.4942874 0.2086325 -2.5233947 0.2687935 0.3375146 0.2398306 -2.5590647 13 Se -2.6115689 0.1503995 0.4942874 0.2086325 -2.5233947 0.2687935 0.3375146 0.2398306 -2.5590647 14 Se -2.6115689 -0.1503995 0.4942874 -0.2086325 -2.5233947 -0.2687935 0.3375146 -0.2398306 -2.5590647 15 Se -2.3133699 -0.2877199 -0.1046544 -0.1585753 -2.6889640 0.2541940 0.0080173 0.4944641 -2.4175261 16 Se -2.3133699 0.2877199 -0.1046544 0.1585753 -2.6889640 -0.2541940 0.0080173 -0.4944641 -2.4175261 17 O -3.1925613 0.1738394 0.1101018 0.2580872 -3.1109602 0.2114757 -0.0426881 0.1744835 -2.9658395 18 O -3.1925613 -0.1738394 0.1101018 -0.2580872 -3.1109602 -0.2114757 -0.0426881 -0.1744835 -2.9658395 19 O -3.1925613 -0.1738394 0.1101018 -0.2580872 -3.1109602 -0.2114757 -0.0426881 -0.1744835 -2.9658395 20 O -3.1925613 0.1738394 0.1101018 0.2580872 -3.1109602 0.2114757 -0.0426881 0.1744835 -2.9658395----------------------------------------------------------------------------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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098]Computing fc3[ 9, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098]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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098]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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 23:42:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:42:36]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 8.632589753692471 0.000000000000000 0.000000000000000 b 0.000000000000000 7.143542690000000 0.000000000000000 c -1.309621518876636 0.000000000000000 7.064244768602364Atomic positions (fractional): 1 Sm 0.14232482308551 0.55168632307858 0.75230637660000 150.360 2 Sm 0.14232482308551 0.94831367692142 0.25230637660000 150.360 3 Sm 0.42750838124137 0.15173221103088 0.67027543975697 150.360 4 Sm 0.42750838124137 0.34826778896912 0.17027543975697 150.360 5 Sm 0.57249161875863 0.65173221103088 0.82972456024303 150.360 6 Sm 0.57249161875863 0.84826778896912 0.32972456024303 150.360 7 Sm 0.85767517691449 0.05168632307858 0.74769362340000 150.360 8 Sm 0.85767517691449 0.44831367692142 0.24769362340000 150.360 9 Se 0.07709041732065 0.21978313815149 0.52957396601238 78.960 10 Se 0.07709041732065 0.28021686184850 0.02957396601238 78.960 11 Se 0.31634766941286 0.87734830194254 0.92562541390440 78.960 12 Se 0.31634766941286 0.62265169805746 0.42562541390440 78.960 13 Se 0.68365233058714 0.37734830194254 0.57437458609560 78.960 14 Se 0.68365233058714 0.12265169805746 0.07437458609560 78.960 15 Se 0.92290958267935 0.71978313815149 0.97042603398762 78.960 16 Se 0.92290958267935 0.78021686184851 0.47042603398762 78.960 17 O 0.38648115953330 0.41555742825033 0.84983392045756 15.999 18 O 0.38648115953330 0.08444257174967 0.34983392045756 15.999 19 O 0.61351884046670 0.91555742825034 0.65016607954244 15.999 20 O 0.61351884046670 0.58444257174966 0.15016607954244 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 8.632589753692471 0.000000000000000 0.000000000000000 b 0.000000000000000 14.287085380000001 0.000000000000000 c -2.619243037753272 0.000000000000000 14.128489537204729Atomic positions (fractional): 1 Sm 0.14232482308551 0.27584316153929 0.37615318830000 150.360 > 1 2 Sm 0.14232482308551 0.77584316153929 0.37615318830000 150.360 > 1 3 Sm 0.14232482308551 0.27584316153929 0.87615318830000 150.360 > 1 4 Sm 0.14232482308551 0.77584316153929 0.87615318830000 150.360 > 1 5 Sm 0.14232482308551 0.47415683846071 0.12615318830000 150.360 > 5 6 Sm 0.14232482308551 0.97415683846071 0.12615318830000 150.360 > 5 7 Sm 0.14232482308551 0.47415683846071 0.62615318830000 150.360 > 5 8 Sm 0.14232482308551 0.97415683846071 0.62615318830000 150.360 > 5 9 Sm 0.42750838124137 0.07586610551544 0.33513771987849 150.360 > 9 10 Sm 0.42750838124137 0.57586610551544 0.33513771987849 150.360 > 9 11 Sm 0.42750838124137 0.07586610551544 0.83513771987849 150.360 > 9 12 Sm 0.42750838124137 0.57586610551544 0.83513771987849 150.360 > 9 13 Sm 0.42750838124137 0.17413389448456 0.08513771987849 150.360 > 13 14 Sm 0.42750838124137 0.67413389448456 0.08513771987849 150.360 > 13 15 Sm 0.42750838124137 0.17413389448456 0.58513771987849 150.360 > 13 16 Sm 0.42750838124137 0.67413389448456 0.58513771987849 150.360 > 13 17 Sm 0.57249161875863 0.32586610551544 0.41486228012151 150.360 > 17 18 Sm 0.57249161875863 0.82586610551544 0.41486228012151 150.360 > 17 19 Sm 0.57249161875863 0.32586610551544 0.91486228012151 150.360 > 17 20 Sm 0.57249161875863 0.82586610551544 0.91486228012151 150.360 > 17 21 Sm 0.57249161875863 0.42413389448456 0.16486228012151 150.360 > 21 22 Sm 0.57249161875863 0.92413389448456 0.16486228012151 150.360 > 21 23 Sm 0.57249161875863 0.42413389448456 0.66486228012151 150.360 > 21 24 Sm 0.57249161875863 0.92413389448456 0.66486228012151 150.360 > 21 25 Sm 0.85767517691449 0.02584316153929 0.37384681170000 150.360 > 25 26 Sm 0.85767517691449 0.52584316153929 0.37384681170000 150.360 > 25 27 Sm 0.85767517691449 0.02584316153929 0.87384681170000 150.360 > 25 28 Sm 0.85767517691449 0.52584316153929 0.87384681170000 150.360 > 25 29 Sm 0.85767517691449 0.22415683846071 0.12384681170000 150.360 > 29 30 Sm 0.85767517691449 0.72415683846071 0.12384681170000 150.360 > 29 31 Sm 0.85767517691449 0.22415683846071 0.62384681170000 150.360 > 29 32 Sm 0.85767517691449 0.72415683846071 0.62384681170000 150.360 > 29 33 Se 0.07709041732065 0.10989156907575 0.26478698300619 78.960 > 33 34 Se 0.07709041732065 0.60989156907575 0.26478698300619 78.960 > 33 35 Se 0.07709041732065 0.10989156907575 0.76478698300619 78.960 > 33 36 Se 0.07709041732065 0.60989156907575 0.76478698300619 78.960 > 33 37 Se 0.07709041732065 0.14010843092425 0.01478698300619 78.960 > 37 38 Se 0.07709041732065 0.64010843092425 0.01478698300619 78.960 > 37 39 Se 0.07709041732065 0.14010843092425 0.51478698300619 78.960 > 37 40 Se 0.07709041732065 0.64010843092425 0.51478698300619 78.960 > 37 41 Se 0.31634766941286 0.43867415097127 0.46281270695220 78.960 > 41 42 Se 0.31634766941286 0.93867415097127 0.46281270695220 78.960 > 41 43 Se 0.31634766941286 0.43867415097127 0.96281270695220 78.960 > 41 44 Se 0.31634766941286 0.93867415097127 0.96281270695220 78.960 > 41 45 Se 0.31634766941286 0.31132584902873 0.21281270695220 78.960 > 45 46 Se 0.31634766941286 0.81132584902873 0.21281270695220 78.960 > 45 47 Se 0.31634766941286 0.31132584902873 0.71281270695220 78.960 > 45 48 Se 0.31634766941286 0.81132584902873 0.71281270695220 78.960 > 45 49 Se 0.68365233058714 0.18867415097127 0.28718729304780 78.960 > 49 50 Se 0.68365233058714 0.68867415097127 0.28718729304780 78.960 > 49 51 Se 0.68365233058714 0.18867415097127 0.78718729304780 78.960 > 49 52 Se 0.68365233058714 0.68867415097127 0.78718729304780 78.960 > 49 53 Se 0.68365233058714 0.06132584902873 0.03718729304780 78.960 > 53 54 Se 0.68365233058714 0.56132584902873 0.03718729304780 78.960 > 53 55 Se 0.68365233058714 0.06132584902873 0.53718729304780 78.960 > 53 56 Se 0.68365233058714 0.56132584902873 0.53718729304780 78.960 > 53 57 Se 0.92290958267935 0.35989156907575 0.48521301699381 78.960 > 57 58 Se 0.92290958267935 0.85989156907575 0.48521301699381 78.960 > 57 59 Se 0.92290958267935 0.35989156907575 0.98521301699381 78.960 > 57 60 Se 0.92290958267935 0.85989156907575 0.98521301699381 78.960 > 57 61 Se 0.92290958267935 0.39010843092425 0.23521301699381 78.960 > 61 62 Se 0.92290958267935 0.89010843092425 0.23521301699381 78.960 > 61 63 Se 0.92290958267935 0.39010843092425 0.73521301699381 78.960 > 61 64 Se 0.92290958267935 0.89010843092425 0.73521301699381 78.960 > 61 65 O 0.38648115953330 0.20777871412517 0.42491696022878 15.999 > 65 66 O 0.38648115953330 0.70777871412517 0.42491696022878 15.999 > 65 67 O 0.38648115953330 0.20777871412517 0.92491696022878 15.999 > 65 68 O 0.38648115953330 0.70777871412517 0.92491696022878 15.999 > 65 69 O 0.38648115953330 0.04222128587483 0.17491696022878 15.999 > 69 70 O 0.38648115953330 0.54222128587483 0.17491696022878 15.999 > 69 71 O 0.38648115953330 0.04222128587483 0.67491696022878 15.999 > 69 72 O 0.38648115953330 0.54222128587483 0.67491696022878 15.999 > 69 73 O 0.61351884046670 0.45777871412517 0.32508303977122 15.999 > 73 74 O 0.61351884046670 0.95777871412517 0.32508303977122 15.999 > 73 75 O 0.61351884046670 0.45777871412517 0.82508303977122 15.999 > 73 76 O 0.61351884046670 0.95777871412517 0.82508303977122 15.999 > 73 77 O 0.61351884046670 0.29222128587483 0.07508303977122 15.999 > 77 78 O 0.61351884046670 0.79222128587483 0.07508303977122 15.999 > 77 79 O 0.61351884046670 0.29222128587483 0.57508303977122 15.999 > 77 80 O 0.61351884046670 0.79222128587483 0.57508303977122 15.999 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.7312087 0.0000000 -0.4169863 0.0000000 7.9392714 0.0000000 -0.4169896 0.0000000 7.6817996-------------------------- Born effective charges -------------------------- 1 Sm 3.9197885 0.0965093 -0.1531795 -0.1075892 4.2799528 0.0548278 -0.1265774 0.1898346 3.7779515 2 Sm 3.9197885 -0.0965093 -0.1531795 0.1075892 4.2799528 -0.0548278 -0.1265774 -0.1898346 3.7779515 3 Sm 4.1977117 -0.2076868 -0.3465552 -0.0914313 4.0433661 -0.0362768 -0.1762665 -0.0267138 4.1644788 4 Sm 4.1977117 0.2076868 -0.3465552 0.0914313 4.0433661 0.0362768 -0.1762665 0.0267138 4.1644788 5 Sm 4.1977117 0.2076868 -0.3465552 0.0914313 4.0433661 0.0362768 -0.1762665 0.0267138 4.1644788 6 Sm 4.1977117 -0.2076868 -0.3465552 -0.0914313 4.0433661 -0.0362768 -0.1762665 -0.0267138 4.1644788 7 Sm 3.9197885 -0.0965093 -0.1531795 0.1075892 4.2799528 -0.0548278 -0.1265774 -0.1898346 3.7779515 8 Sm 3.9197885 0.0965093 -0.1531795 -0.1075892 4.2799528 0.0548278 -0.1265774 0.1898346 3.7779515 9 Se -2.3133699 0.2877199 -0.1046544 0.1585753 -2.6889640 -0.2541940 0.0080173 -0.4944641 -2.4175261 10 Se -2.3133699 -0.2877199 -0.1046544 -0.1585753 -2.6889640 0.2541940 0.0080173 0.4944641 -2.4175261 11 Se -2.6115689 -0.1503995 0.4942874 -0.2086325 -2.5233947 -0.2687935 0.3375146 -0.2398306 -2.5590647 12 Se -2.6115689 0.1503995 0.4942874 0.2086325 -2.5233947 0.2687935 0.3375146 0.2398306 -2.5590647 13 Se -2.6115689 0.1503995 0.4942874 0.2086325 -2.5233947 0.2687935 0.3375146 0.2398306 -2.5590647 14 Se -2.6115689 -0.1503995 0.4942874 -0.2086325 -2.5233947 -0.2687935 0.3375146 -0.2398306 -2.5590647 15 Se -2.3133699 -0.2877199 -0.1046544 -0.1585753 -2.6889640 0.2541940 0.0080173 0.4944641 -2.4175261 16 Se -2.3133699 0.2877199 -0.1046544 0.1585753 -2.6889640 -0.2541940 0.0080173 -0.4944641 -2.4175261 17 O -3.1925613 0.1738394 0.1101018 0.2580872 -3.1109602 0.2114757 -0.0426881 0.1744835 -2.9658395 18 O -3.1925613 -0.1738394 0.1101018 -0.2580872 -3.1109602 -0.2114757 -0.0426881 -0.1744835 -2.9658395 19 O -3.1925613 -0.1738394 0.1101018 -0.2580872 -3.1109602 -0.2114757 -0.0426881 -0.1744835 -2.9658395 20 O -3.1925613 0.1738394 0.1101018 0.2580872 -3.1109602 0.2114757 -0.0426881 0.1744835 -2.9658395----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 6 7 7 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 297, Lambda: 0.16Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/88) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.574 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.335 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 9.902 ( 0.000 0.000 0.000) 0.000 10.159 ( 0.000 0.000 0.000) 0.000 10.195 ( 0.000 0.000 0.000) 0.000 10.274 ( 0.000 0.000 0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 10.978 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 11.463 ( 0.000 0.000 0.000) 0.000 12.342 ( 0.000 0.000 0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 12.876 ( 0.000 0.000 0.000) 0.000 14.163 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/88) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.422 ( 21.962 0.000 -0.472) 21.967 0.460 ( 23.496 0.000 0.190) 23.497 0.729 ( 37.062 0.000 -3.123) 37.193 1.580 ( 0.742 0.000 -0.076) 0.746 1.632 ( 4.726 0.000 1.973) 5.121 2.026 ( -17.681 0.000 1.753) 17.767 2.261 ( -4.929 0.000 -0.448) 4.950 2.467 ( -7.847 0.000 5.536) 9.603 2.474 ( 2.500 0.000 0.100) 2.502 2.647 ( 2.654 0.000 -1.108) 2.876 2.681 ( 0.835 0.000 1.883) 2.059 2.830 ( 1.021 0.000 0.553) 1.161 2.968 ( -1.132 0.000 12.802) 12.852 2.973 ( 7.310 0.000 -3.533) 8.119 3.102 ( -7.948 0.000 0.548) 7.967 3.108 ( -4.484 0.000 -2.360) 5.067 3.233 ( 3.933 0.000 2.778) 4.815 3.373 ( 0.934 0.000 5.221) 5.304 3.384 ( -0.617 0.000 -0.199) 0.649 3.472 ( -0.585 0.000 -0.505) 0.773 3.581 ( 0.826 0.000 -8.699) 8.738 3.584 ( -1.534 0.000 -3.375) 3.707 3.848 ( 2.083 0.000 -0.491) 2.140 3.866 ( -7.337 0.000 2.502) 7.752 3.933 ( -1.444 0.000 -4.102) 4.349 3.985 ( -3.485 0.000 -0.424) 3.511 4.002 ( -3.071 0.000 1.539) 3.435 4.142 ( 1.083 0.000 3.900) 4.048 4.329 ( -0.688 0.000 2.011) 2.126 4.370 ( -1.160 0.000 1.285) 1.731 4.374 ( -3.052 0.000 -0.600) 3.110 4.477 ( 5.493 0.000 -2.287) 5.950 4.589 ( -0.866 0.000 1.168) 1.454 4.640 ( 0.645 0.000 1.714) 1.831 4.641 ( 2.367 0.000 1.597) 2.856 4.783 ( 1.244 0.000 -1.439) 1.902 4.890 ( 5.273 0.000 -2.218) 5.721 4.917 ( 3.300 0.000 4.012) 5.195 5.018 ( 1.195 0.000 1.259) 1.736 5.075 ( -3.951 0.000 15.812) 16.298 5.118 ( -5.915 0.000 5.370) 7.989 5.289 ( -3.615 0.000 -0.082) 3.616 5.400 ( 5.870 0.000 -14.485) 15.629 5.645 ( -0.032 0.000 1.308) 1.308 5.797 ( -1.794 0.000 -0.196) 1.805 5.802 ( 6.249 0.000 -27.310) 28.015 6.003 ( 1.157 0.000 0.602) 1.304 6.183 ( -0.040 0.000 -0.558) 0.560 9.901 ( -0.030 0.000 -0.088) 0.093 10.190 ( -0.424 0.000 0.080) 0.432 10.281 ( 0.824 0.000 -0.712) 1.089 10.328 ( 5.349 0.000 -28.314) 28.815 10.681 ( 0.106 0.000 0.093) 0.141 10.976 ( -0.218 0.000 0.219) 0.309 11.125 ( -0.072 0.000 0.077) 0.105 12.210 ( 1.366 0.000 -12.459) 12.534 12.411 ( 1.153 0.000 0.086) 1.156 12.881 ( 0.662 0.000 -1.136) 1.315 13.079 ( -7.366 0.000 36.628) 37.361 14.161 ( -0.191 0.000 -0.356) 0.404======================= Grid point 2 (3/88) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( 21.981 0.000 -0.712) 21.992 0.899 ( 21.405 0.000 -0.058) 21.405 1.368 ( 28.398 0.000 -2.920) 28.548 1.594 ( 0.457 0.000 -0.223) 0.508 1.665 ( -19.796 0.000 1.731) 19.871 1.671 ( -5.244 0.000 1.704) 5.514 2.152 ( -0.961 0.000 0.384) 1.035 2.387 ( -4.276 0.000 4.051) 5.890 2.478 ( -0.055 0.000 -0.295) 0.300 2.661 ( -2.885 0.000 0.368) 2.908 2.719 ( 1.392 0.000 2.991) 3.299 2.855 ( 0.655 0.000 2.050) 2.152 2.948 ( -6.738 0.000 0.928) 6.801 3.011 ( -3.482 0.000 -4.190) 5.448 3.018 ( 2.528 0.000 5.765) 6.294 3.056 ( 3.016 0.000 -3.763) 4.823 3.273 ( -4.369 0.000 1.832) 4.737 3.365 ( -1.020 0.000 -1.089) 1.492 3.407 ( 3.804 0.000 3.174) 4.954 3.420 ( -3.782 0.000 -0.363) 3.799 3.571 ( 1.487 0.000 -9.202) 9.321 3.585 ( 2.772 0.000 -0.999) 2.947 3.694 ( -7.974 0.000 3.047) 8.537 3.869 ( -4.220 0.000 -2.214) 4.766 3.911 ( -2.774 0.000 0.837) 2.898 3.939 ( 3.782 0.000 -0.418) 3.805 3.940 ( -1.263 0.000 -2.159) 2.502 4.191 ( 2.220 0.000 2.058) 3.027 4.294 ( -4.626 0.000 4.279) 6.301 4.335 ( -0.904 0.000 -0.598) 1.084 4.342 ( -0.963 0.000 0.025) 0.964 4.581 ( 5.535 0.000 -2.617) 6.122 4.595 ( 1.613 0.000 -1.517) 2.214 4.675 ( 1.989 0.000 2.133) 2.917 4.696 ( 0.978 0.000 3.287) 3.429 4.843 ( 5.938 0.000 -0.705) 5.980 4.946 ( -1.629 0.000 -2.102) 2.659 4.985 ( 4.778 0.000 -3.104) 5.698 4.987 ( -4.386 0.000 2.877) 5.246 5.037 ( -0.016 0.000 1.611) 1.611 5.111 ( -0.134 0.000 7.641) 7.642 5.192 ( -6.161 0.000 0.231) 6.165 5.444 ( 2.302 0.000 -5.132) 5.624 5.655 ( 0.439 0.000 1.241) 1.317 5.761 ( -1.548 0.000 -0.106) 1.552 5.827 ( 2.789 0.000 -9.074) 9.493 6.026 ( 0.819 0.000 0.535) 0.979 6.181 ( 0.012 0.000 -0.576) 0.576 9.900 ( -0.001 0.000 -0.077) 0.077 10.181 ( -0.430 0.000 0.074) 0.436 10.297 ( 0.930 0.000 -0.675) 1.149 10.329 ( 1.678 0.000 -9.053) 9.208 10.684 ( 0.105 0.000 0.090) 0.138 10.972 ( -0.218 0.000 0.222) 0.311 11.124 ( -0.080 0.000 0.063) 0.102 12.189 ( -0.160 0.000 -4.268) 4.271 12.436 ( 1.144 0.000 0.096) 1.148 12.891 ( 0.768 0.000 -1.377) 1.576 13.066 ( -3.092 0.000 13.224) 13.581 14.155 ( -0.193 0.000 -0.358) 0.407======================= Grid point 3 (4/88) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( 0.000 0.000 -0.000) 0.000 1.253 ( -0.000 0.000 0.000) 0.000 1.271 ( 0.000 0.000 -0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 1.687 ( 0.000 0.000 0.000) 0.000 2.215 ( -0.000 0.000 0.000) 0.000 2.313 ( 0.000 0.000 -0.000) 0.000 2.512 ( -0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 -0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 -0.000) 0.000 3.086 ( -0.000 0.000 -0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.356 ( -0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 -0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.587 ( -0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 -0.000) 0.000 3.637 ( 0.000 0.000 -0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 -0.000) 0.000 4.002 ( -0.000 0.000 0.000) 0.000 4.219 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 -0.000) 0.000 4.326 ( 0.000 0.000 -0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 -0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 -0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 4.988 ( -0.000 0.000 -0.000) 0.000 5.077 ( -0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 -0.000) 0.000 5.125 ( 0.000 0.000 -0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.745 ( 0.000 0.000 0.000) 0.000 5.838 ( 0.000 0.000 -0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 9.900 ( 0.000 0.000 0.000) 0.000 10.177 ( 0.000 0.000 -0.000) 0.000 10.306 ( 0.000 0.000 0.000) 0.000 10.328 ( 0.000 0.000 -0.000) 0.000 10.685 ( 0.000 0.000 0.000) 0.000 10.970 ( 0.000 0.000 -0.000) 0.000 11.123 ( 0.000 0.000 0.000) 0.000 12.179 ( 0.000 0.000 -0.000) 0.000 12.448 ( 0.000 0.000 -0.000) 0.000 12.897 ( 0.000 0.000 0.000) 0.000 13.059 ( 0.000 0.000 0.000) 0.000 14.152 ( 0.000 0.000 0.000) 0.000======================= Grid point 7 (5/88) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.483 ( 0.000 23.959 0.000) 23.959 0.517 ( 0.000 25.259 0.000) 25.259 0.829 ( 0.000 40.485 0.000) 40.485 1.627 ( 0.000 6.525 0.000) 6.525 1.682 ( 0.000 7.968 0.000) 7.968 2.212 ( 0.000 -4.567 0.000) 4.567 2.349 ( 0.000 2.344 0.000) 2.344 2.377 ( 0.000 3.298 0.000) 3.298 2.540 ( 0.000 -9.262 0.000) 9.262 2.573 ( 0.000 0.449 0.000) 0.449 2.637 ( 0.000 -7.041 0.000) 7.041 2.743 ( 0.000 -8.571 0.000) 8.571 2.770 ( 0.000 -4.038 0.000) 4.038 2.899 ( 0.000 -1.084 0.000) 1.084 3.119 ( 0.000 -5.122 0.000) 5.122 3.206 ( 0.000 -1.304 0.000) 1.304 3.286 ( 0.000 5.524 0.000) 5.524 3.350 ( 0.000 1.741 0.000) 1.741 3.408 ( 0.000 1.732 0.000) 1.732 3.452 ( 0.000 -0.807 0.000) 0.807 3.570 ( 0.000 -3.603 0.000) 3.603 3.620 ( 0.000 2.183 0.000) 2.183 3.782 ( 0.000 -1.406 0.000) 1.406 3.877 ( 0.000 -2.089 0.000) 2.089 3.929 ( 0.000 -3.628 0.000) 3.628 4.015 ( 0.000 -1.221 0.000) 1.221 4.043 ( 0.000 2.295 0.000) 2.295 4.148 ( 0.000 0.239 0.000) 0.239 4.232 ( 0.000 -2.315 0.000) 2.315 4.368 ( 0.000 -2.419 0.000) 2.419 4.413 ( 0.000 -0.424 0.000) 0.424 4.433 ( 0.000 0.351 0.000) 0.351 4.523 ( 0.000 7.696 0.000) 7.696 4.642 ( 0.000 0.114 0.000) 0.114 4.668 ( 0.000 3.034 0.000) 3.034 4.738 ( 0.000 -5.226 0.000) 5.226 4.801 ( 0.000 6.912 0.000) 6.912 4.946 ( 0.000 -0.020 0.000) 0.020 4.966 ( 0.000 0.786 0.000) 0.786 5.143 ( 0.000 -1.158 0.000) 1.158 5.154 ( 0.000 -3.440 0.000) 3.440 5.338 ( 0.000 3.295 0.000) 3.295 5.365 ( 0.000 -0.277 0.000) 0.277 5.473 ( 0.000 -0.762 0.000) 0.762 5.621 ( 0.000 -2.331 0.000) 2.331 5.989 ( 0.000 0.075 0.000) 0.075 6.164 ( 0.000 -2.104 0.000) 2.104 6.256 ( 0.000 -0.830 0.000) 0.830 10.119 ( 0.000 -1.530 0.000) 1.530 10.248 ( 0.000 2.792 0.000) 2.792 10.272 ( 0.000 -0.146 0.000) 0.146 10.486 ( 0.000 -1.713 0.000) 1.713 10.707 ( 0.000 3.116 0.000) 3.116 11.016 ( 0.000 3.850 0.000) 3.850 11.431 ( 0.000 -3.047 0.000) 3.047 12.134 ( 0.000 4.441 0.000) 4.441 12.345 ( 0.000 -15.208 0.000) 15.208 12.376 ( 0.000 3.173 0.000) 3.173 13.097 ( 0.000 14.931 0.000) 14.931 14.132 ( 0.000 -3.177 0.000) 3.177======================= Grid point 8 (6/88) =======================q-point: ( 0.17 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.555 ( 9.763 17.360 1.379) 19.965 0.652 ( 14.831 17.920 0.691) 23.271 1.137 ( 23.504 28.276 -3.105) 36.900 1.670 ( 2.131 7.926 1.525) 8.347 1.697 ( 3.021 6.329 0.775) 7.056 2.028 ( -14.483 0.366 -0.056) 14.488 2.263 ( -6.442 0.553 1.107) 6.560 2.430 ( -5.330 -2.208 1.405) 5.937 2.489 ( 0.729 -0.125 1.358) 1.547 2.560 ( 1.619 -8.289 2.180) 8.722 2.683 ( 3.610 0.252 0.142) 3.621 2.739 ( 2.219 -7.235 0.432) 7.580 2.901 ( 5.906 -5.617 0.730) 8.183 2.941 ( 3.091 -2.354 2.691) 4.726 3.063 ( -4.468 -3.204 -0.893) 5.570 3.123 ( -7.411 1.125 -1.612) 7.667 3.283 ( 2.858 1.860 2.451) 4.199 3.349 ( -1.581 -0.960 2.301) 2.952 3.441 ( 0.793 3.478 2.991) 4.655 3.466 ( -0.817 0.033 -0.543) 0.982 3.529 ( -1.522 -2.868 -8.349) 8.958 3.629 ( 0.428 2.123 -0.572) 2.240 3.784 ( -3.775 -2.047 -4.180) 5.993 3.848 ( 0.273 -2.185 1.837) 2.867 3.932 ( -0.531 -5.452 0.758) 5.530 3.978 ( -2.578 -0.070 -2.682) 3.720 4.029 ( -1.516 2.646 1.195) 3.275 4.096 ( -1.165 0.409 0.996) 1.586 4.298 ( -0.373 -3.444 1.280) 3.693 4.303 ( -2.093 -2.505 1.740) 3.699 4.392 ( 1.579 -2.657 -2.399) 3.913 4.513 ( 1.561 4.469 0.197) 4.738 4.552 ( 0.856 -2.454 1.709) 3.110 4.645 ( 1.387 0.748 0.384) 1.622 4.694 ( 1.947 2.687 0.997) 3.465 4.755 ( 3.735 -2.808 1.118) 4.805 4.834 ( 0.298 3.623 1.545) 3.950 4.965 ( 0.348 -1.757 0.623) 1.896 5.014 ( 4.394 2.843 -2.341) 5.733 5.068 ( -3.036 -0.838 5.737) 6.544 5.172 ( -2.748 0.389 2.607) 3.808 5.315 ( -1.971 3.107 -1.280) 3.895 5.389 ( 3.728 -0.005 -5.310) 6.488 5.544 ( 6.112 -6.015 -2.937) 9.064 5.624 ( 0.502 -2.392 -0.658) 2.531 5.972 ( -2.560 1.332 -1.285) 3.159 6.121 ( -4.388 4.370 -3.714) 7.222 6.175 ( -1.090 -0.343 -1.467) 1.860 10.089 ( -5.202 5.610 7.719) 10.868 10.171 ( -3.067 2.257 -2.974) 4.831 10.281 ( 0.913 -0.014 -0.268) 0.951 10.403 ( 0.348 3.432 -17.584) 17.919 10.700 ( 0.033 2.399 -1.054) 2.620 11.006 ( -0.911 3.037 -0.350) 3.190 11.289 ( -4.304 10.297 0.112) 11.161 12.196 ( 2.593 -1.541 -10.484) 10.909 12.309 ( 1.030 -6.695 -4.498) 8.131 12.650 ( 7.895 -21.733 22.754) 32.440 13.092 ( -1.428 14.427 5.739) 15.592 14.155 ( 1.511 -2.294 -1.377) 3.073======================= Grid point 9 (7/88) =======================q-point: ( 0.33 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.854 ( 18.315 3.437 0.779) 18.651 0.994 ( 19.278 10.762 0.305) 22.081 1.434 ( 0.499 4.359 -2.620) 5.110 1.669 ( -8.561 3.496 2.864) 9.680 1.751 ( -5.145 12.218 -3.187) 13.634 1.851 ( 11.715 14.612 2.428) 18.885 2.161 ( 0.333 1.463 0.281) 1.526 2.369 ( -2.891 -1.604 2.385) 4.076 2.496 ( -0.363 1.095 0.521) 1.266 2.596 ( 0.374 -7.015 1.562) 7.196 2.705 ( -2.049 -1.057 3.932) 4.558 2.790 ( 0.844 -5.393 0.167) 5.462 2.939 ( -3.911 -0.842 1.650) 4.328 2.987 ( 0.280 0.171 -1.731) 1.762 3.005 ( 1.375 -3.224 2.028) 4.050 3.040 ( 1.982 0.016 -5.558) 5.901 3.324 ( -2.491 2.056 3.549) 4.799 3.366 ( 2.710 -2.128 3.212) 4.710 3.383 ( -4.474 -2.444 -4.380) 6.721 3.423 ( -3.423 1.440 -0.129) 3.716 3.487 ( -0.113 -2.973 -2.832) 4.107 3.630 ( -0.881 0.136 -0.150) 0.903 3.677 ( -1.988 2.438 -1.995) 3.725 3.837 ( -4.624 -3.146 -1.509) 5.793 3.879 ( 0.186 -0.401 -1.641) 1.699 3.967 ( -4.170 3.980 1.417) 5.936 4.023 ( 4.341 -3.226 -2.100) 5.802 4.095 ( 0.227 -2.498 2.506) 3.546 4.270 ( -2.056 -4.442 0.757) 4.953 4.277 ( -2.121 -2.522 1.116) 3.479 4.405 ( 1.102 0.692 -1.456) 1.953 4.509 ( 0.012 -0.881 0.176) 0.899 4.613 ( 2.457 -2.549 0.133) 3.543 4.692 ( 2.820 2.343 0.845) 3.762 4.740 ( 1.756 3.758 1.792) 4.518 4.839 ( 3.463 -5.322 -0.043) 6.350 4.861 ( 2.743 0.090 2.007) 3.400 4.923 ( -2.715 -3.483 2.266) 4.963 5.041 ( -0.396 -0.668 0.772) 1.096 5.082 ( -0.300 5.967 -4.234) 7.323 5.122 ( -1.779 1.046 2.674) 3.378 5.259 ( -3.128 5.221 1.521) 6.274 5.441 ( 2.720 0.015 -3.638) 4.542 5.631 ( 0.465 -2.382 1.875) 3.067 5.657 ( 5.772 -6.310 -2.727) 8.976 5.880 ( -4.648 3.956 -3.502) 7.037 6.086 ( 0.317 3.069 -0.209) 3.092 6.162 ( -0.410 -1.793 -0.727) 1.978 10.023 ( -2.561 9.090 2.431) 9.752 10.145 ( -0.054 -1.861 -1.769) 2.568 10.301 ( 1.016 0.295 -0.206) 1.078 10.375 ( 0.627 2.620 -7.032) 7.530 10.699 ( 0.134 1.930 -0.430) 1.982 10.985 ( -0.893 1.428 -0.353) 1.721 11.257 ( -0.568 11.145 1.219) 11.225 12.188 ( 0.124 -1.257 -4.861) 5.023 12.323 ( 1.011 -7.406 -1.008) 7.542 12.780 ( 1.634 -20.934 7.686) 22.360 13.087 ( -0.897 14.625 4.045) 15.201 14.169 ( 0.433 -0.451 -0.880) 1.079======================= Grid point 10 (8/88) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 0.000 -9.811 0.000) 9.811 1.214 ( -0.000 5.839 -0.000) 5.839 1.359 ( -0.000 4.644 0.000) 4.644 1.378 ( 0.000 8.388 -0.000) 8.388 1.717 ( 0.000 11.228 0.000) 11.228 2.056 ( -0.000 16.065 0.000) 16.065 2.236 ( -0.000 6.105 0.000) 6.105 2.322 ( 0.000 0.656 -0.000) 0.656 2.511 ( -0.000 -0.158 0.000) 0.158 2.544 ( 0.000 -3.464 -0.000) 3.464 2.684 ( 0.000 -2.868 0.000) 2.868 2.783 ( 0.000 -7.087 0.000) 7.087 2.902 ( 0.000 1.532 -0.000) 1.532 2.978 ( 0.000 1.737 0.000) 1.737 3.049 ( 0.000 -2.781 0.000) 2.781 3.064 ( -0.000 -0.747 0.000) 0.747 3.269 ( 0.000 5.649 0.000) 5.649 3.310 ( 0.000 -3.423 0.000) 3.423 3.379 ( 0.000 1.856 -0.000) 1.856 3.405 ( 0.000 -7.587 0.000) 7.587 3.521 ( -0.000 -4.560 0.000) 4.560 3.603 ( 0.000 -2.144 0.000) 2.144 3.672 ( 0.000 6.255 -0.000) 6.255 3.772 ( 0.000 -2.872 -0.000) 2.872 3.884 ( 0.000 -0.500 0.000) 0.500 3.912 ( 0.000 4.115 0.000) 4.115 4.086 ( 0.000 -11.208 -0.000) 11.208 4.097 ( -0.000 3.419 0.000) 3.419 4.228 ( 0.000 -1.682 0.000) 1.682 4.263 ( 0.000 -2.590 0.000) 2.590 4.426 ( 0.000 4.796 -0.000) 4.796 4.501 ( -0.000 -6.756 0.000) 6.756 4.634 ( 0.000 -3.973 -0.000) 3.973 4.737 ( 0.000 3.984 0.000) 3.984 4.757 ( 0.000 3.328 0.000) 3.328 4.856 ( 0.000 -3.675 0.000) 3.675 4.884 ( 0.000 -5.385 -0.000) 5.385 4.981 ( 0.000 -0.776 0.000) 0.776 4.985 ( -0.000 -0.428 -0.000) 0.428 5.084 ( -0.000 3.468 0.000) 3.468 5.086 ( 0.000 2.072 -0.000) 2.072 5.232 ( 0.000 6.839 -0.000) 6.839 5.461 ( 0.000 0.504 0.000) 0.504 5.638 ( 0.000 -2.382 -0.000) 2.382 5.734 ( 0.000 -6.256 0.000) 6.256 5.805 ( -0.000 4.703 -0.000) 4.703 6.093 ( 0.000 2.865 -0.000) 2.865 6.155 ( 0.000 -2.281 0.000) 2.281 10.005 ( 0.000 8.403 0.000) 8.403 10.142 ( 0.000 -2.012 -0.000) 2.012 10.312 ( 0.000 0.453 0.000) 0.453 10.368 ( 0.000 2.364 -0.000) 2.364 10.700 ( 0.000 1.834 0.000) 1.834 10.975 ( 0.000 0.681 0.000) 0.681 11.255 ( 0.000 11.490 0.000) 11.490 12.179 ( 0.000 -1.244 -0.000) 1.244 12.332 ( 0.000 -7.646 0.000) 7.646 12.806 ( 0.000 -20.324 0.000) 20.324 13.086 ( 0.000 15.008 0.000) 15.008 14.171 ( 0.000 0.142 0.000) 0.142======================= Grid point 14 (9/88) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( 0.000 22.994 0.000) 22.994 0.999 ( 0.000 22.656 0.000) 22.656 1.578 ( 0.000 31.161 0.000) 31.161 1.773 ( 0.000 4.805 0.000) 4.805 1.845 ( 0.000 9.756 0.000) 9.756 2.122 ( 0.000 -3.812 0.000) 3.812 2.273 ( 0.000 -12.389 0.000) 12.389 2.381 ( 0.000 0.585 0.000) 0.585 2.442 ( 0.000 -5.165 0.000) 5.165 2.508 ( 0.000 -2.648 0.000) 2.648 2.585 ( 0.000 0.132 0.000) 0.132 2.636 ( 0.000 2.137 0.000) 2.137 2.688 ( 0.000 -3.909 0.000) 3.909 2.856 ( 0.000 -2.441 0.000) 2.441 3.011 ( 0.000 -4.790 0.000) 4.790 3.157 ( 0.000 -2.480 0.000) 2.480 3.342 ( 0.000 -3.157 0.000) 3.157 3.382 ( 0.000 3.426 0.000) 3.426 3.432 ( 0.000 -1.472 0.000) 1.472 3.476 ( 0.000 3.336 0.000) 3.336 3.520 ( 0.000 -0.796 0.000) 0.796 3.650 ( 0.000 0.451 0.000) 0.451 3.661 ( 0.000 -9.785 0.000) 9.785 3.861 ( 0.000 0.105 0.000) 0.105 3.869 ( 0.000 -2.553 0.000) 2.553 3.942 ( 0.000 -6.410 0.000) 6.410 4.078 ( 0.000 0.731 0.000) 0.731 4.136 ( 0.000 -0.758 0.000) 0.758 4.186 ( 0.000 -1.790 0.000) 1.790 4.257 ( 0.000 -5.474 0.000) 5.474 4.443 ( 0.000 4.173 0.000) 4.173 4.477 ( 0.000 1.516 0.000) 1.516 4.612 ( 0.000 0.927 0.000) 0.927 4.645 ( 0.000 1.802 0.000) 1.802 4.700 ( 0.000 0.307 0.000) 0.307 4.742 ( 0.000 4.198 0.000) 4.198 4.942 ( 0.000 -0.278 0.000) 0.278 4.955 ( 0.000 -1.159 0.000) 1.159 5.027 ( 0.000 8.688 0.000) 8.688 5.087 ( 0.000 1.730 0.000) 1.730 5.154 ( 0.000 1.276 0.000) 1.276 5.267 ( 0.000 -6.600 0.000) 6.600 5.408 ( 0.000 3.088 0.000) 3.088 5.490 ( 0.000 0.408 0.000) 0.408 5.564 ( 0.000 -2.459 0.000) 2.459 5.971 ( 0.000 -3.330 0.000) 3.330 6.117 ( 0.000 -1.353 0.000) 1.353 6.231 ( 0.000 -1.701 0.000) 1.701 10.117 ( 0.000 1.373 0.000) 1.373 10.263 ( 0.000 -0.952 0.000) 0.952 10.287 ( 0.000 1.167 0.000) 1.167 10.427 ( 0.000 -3.803 0.000) 3.803 10.808 ( 0.000 6.714 0.000) 6.714 11.117 ( 0.000 4.892 0.000) 4.892 11.363 ( 0.000 -2.278 0.000) 2.278 11.998 ( 0.000 -15.608 0.000) 15.608 12.291 ( 0.000 7.187 0.000) 7.187 12.448 ( 0.000 3.337 0.000) 3.337 13.390 ( 0.000 13.955 0.000) 13.955 14.034 ( 0.000 -6.633 0.000) 6.633======================= Grid point 15 (10/88) =======================q-point: ( 0.17 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.980 ( 1.384 22.243 -1.245) 22.321 1.054 ( 8.147 21.029 1.079) 22.577 1.640 ( 1.409 15.974 -0.050) 16.036 1.851 ( 0.974 9.700 2.823) 10.149 1.857 ( 7.696 8.407 0.467) 11.407 2.041 ( -4.936 1.466 -3.098) 6.010 2.247 ( -1.752 -3.487 -0.138) 3.905 2.356 ( -6.857 -5.417 2.724) 9.153 2.409 ( 1.436 -3.690 4.896) 6.297 2.495 ( 1.555 0.294 -0.649) 1.710 2.627 ( 0.637 0.204 0.408) 0.783 2.699 ( 5.230 0.989 -0.317) 5.332 2.774 ( 6.692 -7.055 0.270) 9.727 2.881 ( 2.204 -3.481 -0.129) 4.122 2.990 ( -1.224 -3.396 -1.044) 3.758 3.116 ( -3.253 -2.426 -1.613) 4.367 3.283 ( -4.459 0.539 0.801) 4.562 3.366 ( -0.186 1.008 -1.419) 1.750 3.454 ( 0.230 -0.688 -2.364) 2.472 3.484 ( -1.540 -0.826 -4.762) 5.072 3.528 ( 1.202 3.039 3.501) 4.789 3.635 ( 0.009 -2.569 5.239) 5.835 3.697 ( 2.620 -8.063 -3.583) 9.204 3.810 ( -3.069 0.733 -1.148) 3.358 3.852 ( -1.455 -2.873 -1.589) 3.591 3.944 ( -2.547 -3.540 -0.028) 4.361 4.072 ( 0.667 0.371 0.652) 1.004 4.090 ( -1.878 -0.773 -0.953) 2.243 4.199 ( -1.120 -4.356 1.708) 4.811 4.245 ( -2.307 -2.981 0.937) 3.884 4.385 ( -1.515 1.817 -2.313) 3.309 4.527 ( -3.590 -0.330 1.648) 3.964 4.578 ( 4.510 0.742 -0.251) 4.578 4.623 ( -1.497 0.745 1.510) 2.253 4.733 ( 2.305 1.338 -0.772) 2.775 4.785 ( 2.491 2.179 2.480) 4.136 4.899 ( -3.718 0.769 1.667) 4.147 4.949 ( -2.034 1.644 0.885) 2.761 5.005 ( -1.450 -3.235 0.100) 3.547 5.147 ( 6.238 8.582 -0.678) 10.631 5.193 ( 1.735 2.373 -1.010) 3.108 5.294 ( 1.975 -4.907 -0.850) 5.357 5.417 ( 1.644 2.757 -1.432) 3.515 5.505 ( 2.060 0.405 0.167) 2.106 5.564 ( 0.162 -2.786 -0.260) 2.803 5.964 ( -1.139 -3.132 0.663) 3.398 6.116 ( 0.030 -1.115 -0.646) 1.288 6.186 ( -3.246 0.061 -1.985) 3.805 10.120 ( 0.057 1.412 1.063) 1.768 10.247 ( -3.352 2.300 0.537) 4.101 10.277 ( 0.768 -0.290 0.957) 1.261 10.408 ( -0.359 -2.166 -4.870) 5.342 10.792 ( -0.790 6.584 -1.788) 6.868 11.085 ( -2.691 3.807 -1.178) 4.809 11.393 ( 1.825 1.364 5.266) 5.738 12.018 ( 2.871 -16.512 -8.412) 18.753 12.266 ( -1.662 5.356 -0.229) 5.613 12.475 ( 0.270 -0.313 8.310) 8.321 13.392 ( 0.017 14.642 1.576) 14.727 14.063 ( 2.585 -6.729 -1.284) 7.322======================= Grid point 16 (11/88) =======================q-point: ( 0.33 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( 6.736 15.562 -0.123) 16.958 1.272 ( 13.298 15.790 -0.429) 20.648 1.557 ( -8.644 8.123 -0.725) 11.884 1.752 ( -8.967 4.106 2.384) 10.147 1.986 ( -2.985 6.617 -1.304) 7.376 2.049 ( 6.344 0.938 0.588) 6.440 2.276 ( 7.514 7.102 1.564) 10.457 2.328 ( 1.787 1.238 3.025) 3.725 2.449 ( 2.475 -4.613 0.293) 5.243 2.513 ( 0.037 -1.332 -0.471) 1.413 2.642 ( 0.417 0.027 2.308) 2.345 2.728 ( -2.806 -2.445 2.750) 4.627 2.910 ( 2.301 -6.462 -1.686) 7.064 2.923 ( 6.359 0.113 0.805) 6.410 2.993 ( 1.458 1.464 -3.277) 3.874 3.064 ( 0.469 -2.178 -2.503) 3.351 3.214 ( -2.418 -1.889 0.187) 3.074 3.364 ( -4.092 -0.720 -3.210) 5.250 3.384 ( -0.801 0.707 -0.327) 1.117 3.433 ( -1.221 0.592 -3.008) 3.300 3.555 ( -3.009 6.378 5.678) 9.054 3.608 ( -3.996 -0.621 1.740) 4.403 3.734 ( 0.224 -0.351 -3.975) 3.997 3.765 ( 0.331 -8.982 0.859) 9.029 3.816 ( -0.041 -1.862 -1.962) 2.705 3.889 ( -2.143 -3.274 -0.361) 3.930 4.065 ( -2.378 2.223 -0.063) 3.256 4.080 ( -0.005 -0.100 -0.539) 0.548 4.162 ( -0.579 -6.442 1.419) 6.622 4.217 ( -0.111 -2.951 -0.096) 2.954 4.358 ( -0.629 -2.063 -2.399) 3.226 4.474 ( -3.104 -4.402 3.572) 6.463 4.610 ( -0.199 2.058 0.706) 2.185 4.675 ( 4.097 -3.114 -0.720) 5.196 4.776 ( -2.364 -5.191 3.661) 6.778 4.787 ( 1.616 -0.088 0.559) 1.712 4.875 ( 2.089 6.249 -1.943) 6.869 4.925 ( -0.464 2.468 2.041) 3.237 5.003 ( -0.847 -1.834 1.047) 2.276 5.179 ( -0.657 3.082 -1.385) 3.442 5.197 ( -0.985 4.615 -1.529) 4.960 5.347 ( 2.265 4.394 0.315) 4.953 5.454 ( 2.526 1.236 -1.891) 3.389 5.566 ( 0.425 -3.841 0.801) 3.947 5.587 ( 5.286 -0.487 -0.235) 5.313 5.917 ( -3.710 -1.816 -0.376) 4.148 6.112 ( -0.110 -0.169 -0.486) 0.526 6.135 ( -1.111 0.085 -1.026) 1.515 10.126 ( -0.005 1.410 1.748) 2.246 10.184 ( -2.417 4.964 -0.787) 5.577 10.300 ( 1.137 -0.531 0.268) 1.284 10.390 ( -0.063 -1.184 -3.055) 3.277 10.777 ( -0.212 5.933 -1.066) 6.032 11.028 ( -2.368 2.336 -0.873) 3.439 11.450 ( 1.673 6.162 4.776) 7.974 12.027 ( 1.181 -16.000 -8.255) 18.043 12.246 ( -0.574 1.760 1.369) 2.303 12.498 ( -0.544 -5.030 5.654) 7.587 13.401 ( 0.268 15.661 1.229) 15.711 14.103 ( 1.656 -6.120 -1.009) 6.419======================= Grid point 17 (12/88) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.167 ( 0.000 6.633 0.000) 6.633 1.416 ( -0.000 13.086 0.000) 13.086 1.521 ( -0.000 10.024 0.000) 10.024 1.555 ( 0.000 9.051 -0.000) 9.051 1.942 ( 0.000 6.005 0.000) 6.005 2.113 ( -0.000 -3.033 -0.000) 3.033 2.323 ( 0.000 -0.268 -0.000) 0.268 2.444 ( -0.000 -1.886 0.000) 1.886 2.477 ( 0.000 -1.778 0.000) 1.778 2.511 ( -0.000 6.032 0.000) 6.032 2.654 ( 0.000 -1.870 0.000) 1.870 2.672 ( 0.000 -0.250 -0.000) 0.250 2.924 ( 0.000 -0.396 0.000) 0.396 2.981 ( 0.000 -4.563 0.000) 4.563 3.022 ( 0.000 2.959 -0.000) 2.959 3.108 ( -0.000 5.956 0.000) 5.956 3.197 ( 0.000 -4.218 -0.000) 4.218 3.247 ( 0.000 -1.523 0.000) 1.523 3.415 ( -0.000 -2.319 -0.000) 2.319 3.415 ( 0.000 1.222 0.000) 1.222 3.498 ( 0.000 8.199 -0.000) 8.199 3.554 ( 0.000 -1.857 0.000) 1.857 3.713 ( 0.000 -2.446 0.000) 2.446 3.795 ( 0.000 4.516 0.000) 4.516 3.826 ( 0.000 -13.055 -0.000) 13.055 3.860 ( 0.000 -2.914 0.000) 2.914 4.017 ( 0.000 4.605 0.000) 4.605 4.090 ( 0.000 -3.911 0.000) 3.911 4.175 ( -0.000 -2.822 0.000) 2.822 4.218 ( 0.000 -2.709 -0.000) 2.709 4.355 ( 0.000 -7.451 -0.000) 7.451 4.433 ( 0.000 -3.700 0.000) 3.700 4.608 ( 0.000 1.585 0.000) 1.585 4.716 ( -0.000 -5.206 0.000) 5.206 4.749 ( 0.000 -4.861 -0.000) 4.861 4.824 ( 0.000 -1.377 -0.000) 1.377 4.892 ( 0.000 7.666 0.000) 7.666 4.943 ( 0.000 -1.543 -0.000) 1.543 4.977 ( -0.000 0.953 0.000) 0.953 5.158 ( 0.000 3.071 0.000) 3.071 5.188 ( 0.000 6.248 0.000) 6.248 5.365 ( 0.000 6.445 -0.000) 6.445 5.479 ( 0.000 1.308 0.000) 1.308 5.571 ( 0.000 -4.146 0.000) 4.146 5.660 ( 0.000 -1.159 0.000) 1.159 5.861 ( 0.000 -0.902 -0.000) 0.902 6.113 ( 0.000 -0.899 -0.000) 0.899 6.123 ( 0.000 0.459 0.000) 0.459 10.130 ( 0.000 1.013 0.000) 1.013 10.158 ( 0.000 5.984 -0.000) 5.984 10.313 ( 0.000 -0.559 -0.000) 0.559 10.384 ( 0.000 -0.985 -0.000) 0.985 10.774 ( 0.000 5.689 0.000) 5.689 11.001 ( 0.000 1.704 0.000) 1.704 11.477 ( 0.000 8.215 -0.000) 8.215 12.020 ( 0.000 -15.721 -0.000) 15.721 12.245 ( 0.000 0.261 0.000) 0.261 12.501 ( 0.000 -6.736 0.000) 6.736 13.407 ( 0.000 16.071 0.000) 16.071 14.117 ( 0.000 -5.678 0.000) 5.678======================= Grid point 21 (13/88) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( 0.000 19.469 0.000) 19.469 1.415 ( 0.000 19.402 0.000) 19.402 1.676 ( 0.000 -9.231 0.000) 9.231 1.784 ( 0.000 -14.751 0.000) 14.751 2.054 ( 0.000 7.280 0.000) 7.280 2.082 ( 0.000 0.031 0.000) 0.031 2.264 ( 0.000 -0.568 0.000) 0.568 2.348 ( 0.000 -4.827 0.000) 4.827 2.411 ( 0.000 18.374 0.000) 18.374 2.502 ( 0.000 1.870 0.000) 1.870 2.526 ( 0.000 -4.145 0.000) 4.145 2.663 ( 0.000 -0.439 0.000) 0.439 2.741 ( 0.000 2.947 0.000) 2.947 2.801 ( 0.000 -4.240 0.000) 4.240 2.992 ( 0.000 4.994 0.000) 4.994 3.142 ( 0.000 2.059 0.000) 2.059 3.202 ( 0.000 -12.913 0.000) 12.913 3.264 ( 0.000 -10.189 0.000) 10.189 3.439 ( 0.000 2.838 0.000) 2.838 3.490 ( 0.000 -1.832 0.000) 1.832 3.546 ( 0.000 1.948 0.000) 1.948 3.560 ( 0.000 -0.908 0.000) 0.908 3.668 ( 0.000 3.062 0.000) 3.062 3.778 ( 0.000 -6.775 0.000) 6.775 3.848 ( 0.000 -0.985 0.000) 0.985 3.857 ( 0.000 -0.842 0.000) 0.842 4.097 ( 0.000 2.100 0.000) 2.100 4.132 ( 0.000 0.564 0.000) 0.564 4.153 ( 0.000 -2.174 0.000) 2.174 4.167 ( 0.000 -3.505 0.000) 3.505 4.508 ( 0.000 2.609 0.000) 2.609 4.546 ( 0.000 2.553 0.000) 2.553 4.605 ( 0.000 1.185 0.000) 1.185 4.675 ( 0.000 -2.260 0.000) 2.260 4.745 ( 0.000 5.592 0.000) 5.592 4.811 ( 0.000 1.384 0.000) 1.384 4.910 ( 0.000 -2.453 0.000) 2.453 4.923 ( 0.000 -2.132 0.000) 2.132 5.016 ( 0.000 0.822 0.000) 0.822 5.088 ( 0.000 -5.879 0.000) 5.879 5.256 ( 0.000 4.091 0.000) 4.091 5.289 ( 0.000 5.536 0.000) 5.536 5.414 ( 0.000 -0.634 0.000) 0.634 5.465 ( 0.000 -2.826 0.000) 2.826 5.616 ( 0.000 8.547 0.000) 8.547 5.826 ( 0.000 -10.284 0.000) 10.284 6.136 ( 0.000 2.437 0.000) 2.437 6.188 ( 0.000 -2.509 0.000) 2.509 10.166 ( 0.000 3.175 0.000) 3.175 10.228 ( 0.000 -2.636 0.000) 2.636 10.309 ( 0.000 1.425 0.000) 1.425 10.354 ( 0.000 -3.113 0.000) 3.113 10.959 ( 0.000 7.956 0.000) 7.956 11.106 ( 0.000 -5.800 0.000) 5.800 11.444 ( 0.000 10.081 0.000) 10.081 11.695 ( 0.000 -14.224 0.000) 14.224 12.426 ( 0.000 5.337 0.000) 5.337 12.484 ( 0.000 -0.323 0.000) 0.323 13.650 ( 0.000 12.043 0.000) 12.043 13.869 ( 0.000 -9.752 0.000) 9.752======================= Grid point 22 (14/88) =======================q-point: ( 0.17 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.399 ( 0.613 18.909 -1.144) 18.953 1.460 ( 5.004 18.885 -1.050) 19.565 1.693 ( 1.339 -7.835 0.105) 7.950 1.808 ( 1.414 -13.723 -0.687) 13.813 1.967 ( -6.311 3.368 0.836) 7.202 2.046 ( -3.483 -2.007 1.037) 4.151 2.281 ( 0.681 1.774 3.704) 4.163 2.348 ( -0.701 -1.596 6.058) 6.303 2.429 ( 0.691 11.370 2.165) 11.595 2.529 ( 3.421 6.736 -3.416) 8.292 2.594 ( 4.402 -8.687 0.115) 9.739 2.663 ( 0.339 -1.767 0.790) 1.965 2.806 ( 7.251 5.313 -0.707) 9.017 2.838 ( 2.287 0.428 -3.576) 4.267 2.952 ( -1.624 1.702 -0.099) 2.354 3.065 ( -4.461 -3.221 -0.314) 5.511 3.246 ( 1.239 -3.036 -0.740) 3.362 3.320 ( 4.951 -10.623 -0.930) 11.757 3.418 ( -1.511 2.221 -1.199) 2.942 3.463 ( -1.834 -1.714 -2.509) 3.550 3.552 ( 0.908 1.589 -1.381) 2.293 3.588 ( 2.108 -0.075 1.561) 2.624 3.661 ( -0.266 2.904 -1.517) 3.287 3.771 ( -0.950 -5.333 -2.414) 5.931 3.814 ( -2.420 -0.226 -0.748) 2.543 3.851 ( -1.414 -4.114 1.771) 4.697 4.063 ( -1.811 0.263 1.420) 2.316 4.080 ( -3.038 -0.678 0.051) 3.113 4.170 ( -1.037 0.513 2.007) 2.317 4.195 ( 0.833 -1.904 0.947) 2.284 4.449 ( -4.530 3.459 -2.258) 6.131 4.504 ( -6.497 -1.959 -0.336) 6.794 4.585 ( 1.462 2.801 1.610) 3.546 4.682 ( -0.964 -5.354 1.931) 5.773 4.714 ( -1.751 5.676 0.934) 6.013 4.800 ( -2.493 -1.782 0.809) 3.169 4.914 ( 1.037 1.019 -0.849) 1.684 4.946 ( 1.742 -1.896 0.593) 2.642 5.015 ( 1.310 4.614 -0.004) 4.797 5.132 ( 2.617 -6.537 -1.623) 7.226 5.272 ( 1.705 4.821 -0.286) 5.122 5.335 ( 4.683 2.399 -2.199) 5.703 5.429 ( 1.209 0.250 1.104) 1.656 5.481 ( 1.682 -2.586 -0.323) 3.102 5.621 ( 0.265 8.727 0.920) 8.779 5.825 ( -0.528 -9.881 1.219) 9.970 6.130 ( -0.323 1.926 -0.776) 2.102 6.169 ( -1.495 -1.602 -1.096) 2.450 10.169 ( 0.315 3.197 -0.283) 3.225 10.231 ( 0.447 -2.630 -1.280) 2.959 10.301 ( -0.875 1.997 1.723) 2.779 10.351 ( -0.222 -2.971 -0.195) 2.986 10.943 ( -1.283 7.988 -0.238) 8.093 11.082 ( -2.272 -4.752 0.255) 5.274 11.473 ( 2.436 8.336 1.873) 8.885 11.705 ( 1.206 -14.082 -2.456) 14.346 12.396 ( -2.491 5.994 -0.392) 6.503 12.472 ( -1.542 -1.462 1.774) 2.768 13.665 ( 1.342 12.581 0.256) 12.655 13.893 ( 2.236 -10.106 -0.607) 10.368======================= Grid point 23 (15/88) =======================q-point: ( 0.33 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.407 ( 0.869 18.051 -1.277) 18.117 1.578 ( 7.155 12.511 -2.776) 14.677 1.710 ( -0.949 0.854 2.679) 2.967 1.754 ( -5.068 -3.738 -0.216) 6.301 1.909 ( -0.555 -3.701 -3.057) 4.832 2.000 ( -1.017 -7.245 1.273) 7.426 2.315 ( 0.393 0.647 6.631) 6.674 2.331 ( -2.673 -2.671 4.070) 5.554 2.481 ( 3.743 6.642 4.892) 9.058 2.587 ( 3.418 6.794 -3.987) 8.587 2.621 ( -0.420 -5.737 4.478) 7.290 2.733 ( 5.119 -4.412 -0.800) 6.805 2.769 ( -5.037 3.103 -5.752) 8.252 2.921 ( -2.434 -7.402 -4.855) 9.181 3.029 ( 10.449 6.615 3.176) 12.768 3.056 ( 5.852 2.757 1.195) 6.579 3.262 ( 1.040 3.645 -2.251) 4.408 3.345 ( -1.667 -0.513 -4.842) 5.146 3.395 ( -1.027 -1.487 -1.614) 2.423 3.427 ( -0.988 -3.496 0.388) 3.654 3.582 ( 2.385 -1.497 -0.338) 2.837 3.616 ( -2.463 0.399 -1.407) 2.865 3.654 ( 2.591 2.859 1.433) 4.116 3.721 ( -3.472 -2.182 -0.447) 4.125 3.772 ( -1.424 -1.984 -1.923) 3.108 3.831 ( -0.144 -3.438 1.029) 3.591 4.023 ( -2.419 -0.830 -0.595) 2.626 4.043 ( -2.485 -3.613 0.424) 4.406 4.130 ( -1.775 1.790 1.385) 2.876 4.190 ( -1.791 -2.021 2.528) 3.700 4.339 ( -5.457 1.416 -0.246) 5.643 4.398 ( -3.839 -3.201 0.471) 5.021 4.620 ( 1.390 0.012 1.010) 1.718 4.654 ( -1.605 -2.153 0.951) 2.849 4.702 ( -0.668 1.385 0.712) 1.694 4.760 ( -0.776 -2.803 -0.668) 2.984 4.937 ( 1.111 1.559 -0.724) 2.047 4.960 ( -0.224 -0.799 -0.026) 0.830 5.058 ( 2.121 6.206 0.900) 6.620 5.161 ( 1.109 -3.791 -0.973) 4.068 5.305 ( 1.441 6.066 -0.314) 6.243 5.418 ( 3.607 -3.620 -2.108) 5.528 5.465 ( 2.101 3.569 0.827) 4.223 5.518 ( 1.942 -1.123 -0.653) 2.336 5.636 ( 1.162 6.213 1.316) 6.456 5.802 ( -2.436 -8.487 1.158) 8.905 6.122 ( -0.107 1.021 -0.866) 1.343 6.138 ( -1.069 -0.284 -0.870) 1.407 10.174 ( 0.320 3.240 -0.306) 3.270 10.230 ( -0.083 -1.198 -1.193) 1.693 10.297 ( -0.138 1.421 1.496) 2.068 10.345 ( -0.283 -2.773 -0.027) 2.788 10.920 ( -0.839 7.563 -0.019) 7.610 11.035 ( -2.219 -2.758 -0.031) 3.540 11.536 ( 2.626 5.003 2.954) 6.375 11.713 ( 0.608 -12.959 -3.423) 13.418 12.348 ( -2.046 6.288 0.071) 6.613 12.443 ( -1.676 -2.940 1.234) 3.603 13.694 ( 1.267 13.437 0.200) 13.498 13.934 ( 1.850 -10.449 -0.526) 10.624======================= Grid point 24 (16/88) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( 0.000 16.014 0.000) 16.014 1.672 ( -0.000 6.439 0.000) 6.439 1.674 ( -0.000 0.740 0.000) 0.740 1.706 ( 0.000 6.384 -0.000) 6.384 1.887 ( -0.000 -2.285 0.000) 2.285 2.001 ( 0.000 -7.879 -0.000) 7.879 2.299 ( 0.000 -2.136 -0.000) 2.136 2.335 ( 0.000 -6.653 0.000) 6.653 2.578 ( -0.000 11.124 -0.000) 11.124 2.596 ( 0.000 3.855 0.000) 3.855 2.650 ( -0.000 -1.225 -0.000) 1.225 2.663 ( 0.000 0.605 0.000) 0.605 2.814 ( -0.000 -8.084 -0.000) 8.084 2.840 ( 0.000 -7.061 0.000) 7.061 3.149 ( 0.000 5.248 -0.000) 5.248 3.182 ( 0.000 1.188 0.000) 1.188 3.283 ( 0.000 6.034 0.000) 6.034 3.314 ( 0.000 2.098 -0.000) 2.098 3.342 ( -0.000 0.896 -0.000) 0.896 3.408 ( 0.000 -0.285 0.000) 0.285 3.576 ( 0.000 4.029 0.000) 4.029 3.614 ( 0.000 -3.931 0.000) 3.931 3.655 ( 0.000 -2.415 0.000) 2.415 3.710 ( 0.000 7.567 0.000) 7.567 3.749 ( 0.000 -7.387 0.000) 7.387 3.845 ( 0.000 -1.397 -0.000) 1.397 3.991 ( -0.000 -3.630 0.000) 3.630 3.998 ( 0.000 -3.819 -0.000) 3.819 4.145 ( -0.000 -3.154 0.000) 3.154 4.148 ( 0.000 -2.759 -0.000) 2.759 4.283 ( 0.000 2.847 0.000) 2.847 4.362 ( 0.000 -3.521 0.000) 3.521 4.636 ( -0.000 -0.150 -0.000) 0.150 4.641 ( 0.000 -1.701 0.000) 1.701 4.692 ( 0.000 0.926 -0.000) 0.926 4.756 ( 0.000 -4.287 0.000) 4.287 4.946 ( -0.000 0.837 0.000) 0.837 4.955 ( 0.000 0.151 -0.000) 0.151 5.082 ( 0.000 6.599 -0.000) 6.599 5.170 ( 0.000 -1.970 0.000) 1.970 5.319 ( 0.000 6.682 -0.000) 6.682 5.446 ( 0.000 -5.605 -0.000) 5.605 5.495 ( -0.000 5.853 0.000) 5.853 5.536 ( 0.000 1.001 0.000) 1.001 5.665 ( 0.000 1.676 0.000) 1.676 5.764 ( 0.000 -7.138 0.000) 7.138 6.120 ( 0.000 0.701 -0.000) 0.701 6.126 ( -0.000 0.029 0.000) 0.029 10.177 ( 0.000 3.261 0.000) 3.261 10.226 ( 0.000 -0.024 -0.000) 0.024 10.300 ( 0.000 0.515 -0.000) 0.515 10.342 ( 0.000 -2.692 0.000) 2.692 10.912 ( 0.000 7.209 0.000) 7.209 11.011 ( 0.000 -1.822 0.000) 1.822 11.572 ( 0.000 3.333 -0.000) 3.333 11.709 ( 0.000 -11.940 0.000) 11.940 12.327 ( 0.000 6.092 -0.000) 6.092 12.428 ( 0.000 -3.470 0.000) 3.470 13.707 ( 0.000 13.783 0.000) 13.783 13.952 ( 0.000 -10.494 0.000) 10.494======================= Grid point 49 (17/88) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.425 ( -10.485 0.000 20.592) 23.107 0.484 ( -4.196 0.000 23.217) 23.593 0.860 ( -7.103 0.000 41.417) 42.022 1.573 ( 2.472 0.000 -0.269) 2.487 1.577 ( -0.645 0.000 0.246) 0.690 2.310 ( 11.171 0.000 0.594) 11.187 2.323 ( -1.163 0.000 1.571) 1.954 2.384 ( -10.719 0.000 4.099) 11.476 2.524 ( 8.076 0.000 -2.045) 8.331 2.586 ( 0.003 0.000 -3.776) 3.776 2.693 ( 5.478 0.000 -1.562) 5.696 2.811 ( -2.643 0.000 -2.341) 3.531 2.870 ( -4.413 0.000 2.385) 5.017 3.135 ( 4.744 0.000 -4.876) 6.803 3.172 ( -3.016 0.000 1.318) 3.291 3.193 ( 1.391 0.000 -8.324) 8.440 3.259 ( 6.253 0.000 3.926) 7.383 3.365 ( -1.599 0.000 -5.629) 5.852 3.373 ( 11.184 0.000 4.341) 11.997 3.465 ( 0.315 0.000 -0.077) 0.324 3.488 ( -1.454 0.000 -5.414) 5.606 3.587 ( -6.478 0.000 -1.516) 6.653 3.751 ( -0.422 0.000 -3.564) 3.589 3.942 ( -1.620 0.000 5.918) 6.135 3.965 ( 0.497 0.000 -0.949) 1.071 4.018 ( -0.020 0.000 -0.247) 0.248 4.108 ( 1.185 0.000 1.975) 2.303 4.179 ( -5.565 0.000 5.599) 7.894 4.274 ( 3.604 0.000 -5.195) 6.323 4.295 ( 4.531 0.000 2.330) 5.095 4.353 ( -0.189 0.000 -1.264) 1.278 4.423 ( 6.779 0.000 -0.384) 6.790 4.477 ( -7.138 0.000 1.176) 7.234 4.567 ( 2.599 0.000 -1.146) 2.840 4.651 ( 1.526 0.000 1.683) 2.272 4.665 ( 2.129 0.000 0.809) 2.278 4.762 ( -2.472 0.000 -0.722) 2.575 4.854 ( -2.895 0.000 1.934) 3.482 4.973 ( 2.260 0.000 -2.552) 3.409 4.981 ( -1.482 0.000 4.066) 4.328 5.192 ( 2.185 0.000 -0.266) 2.202 5.287 ( 0.406 0.000 -3.194) 3.220 5.467 ( 2.455 0.000 -1.618) 2.940 5.663 ( 0.197 0.000 1.631) 1.643 5.838 ( -0.621 0.000 1.608) 1.724 5.960 ( 1.540 0.000 -2.780) 3.178 5.992 ( -23.404 0.000 -0.546) 23.411 6.137 ( 0.057 0.000 -4.453) 4.453 9.922 ( -0.476 0.000 2.025) 2.080 10.210 ( -0.181 0.000 1.464) 1.475 10.261 ( -0.385 0.000 -1.264) 1.322 10.568 ( -17.222 0.000 -6.425) 18.381 10.853 ( -38.350 0.000 4.891) 38.661 10.919 ( 1.342 0.000 -3.675) 3.912 11.209 ( -1.484 0.000 6.049) 6.228 11.693 ( 29.159 0.000 -4.640) 29.526 12.420 ( -0.206 0.000 2.068) 2.078 12.878 ( 3.476 0.000 -1.688) 3.864 13.090 ( 20.005 0.000 7.149) 21.245 14.123 ( 0.273 0.000 -3.944) 3.954======================= Grid point 50 (18/88) =======================q-point: ( 0.17 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.525 ( 13.232 0.000 10.394) 16.826 0.661 ( 12.575 0.000 16.095) 20.425 1.102 ( 14.747 0.000 31.323) 34.621 1.561 ( -0.281 0.000 -1.574) 1.599 1.667 ( 5.934 0.000 1.155) 6.046 2.121 ( -16.629 0.000 7.650) 18.304 2.289 ( -4.805 0.000 2.332) 5.341 2.442 ( 1.972 0.000 -2.572) 3.241 2.533 ( -7.767 0.000 0.425) 7.778 2.628 ( 5.206 0.000 -0.969) 5.295 2.697 ( 2.341 0.000 0.507) 2.396 2.811 ( 4.424 0.000 -1.700) 4.739 2.946 ( 4.720 0.000 0.865) 4.799 3.071 ( -6.319 0.000 -2.833) 6.926 3.083 ( -5.289 0.000 -0.459) 5.309 3.235 ( 1.354 0.000 -1.823) 2.271 3.267 ( -6.709 0.000 4.025) 7.823 3.276 ( -2.718 0.000 -11.781) 12.091 3.388 ( 4.557 0.000 1.882) 4.930 3.464 ( 0.162 0.000 -1.035) 1.047 3.485 ( 1.395 0.000 -0.679) 1.551 3.485 ( -4.677 0.000 0.234) 4.683 3.789 ( -1.527 0.000 -4.832) 5.067 3.926 ( -1.863 0.000 4.831) 5.178 3.949 ( -0.786 0.000 -0.417) 0.890 3.990 ( -3.066 0.000 1.065) 3.245 4.068 ( -4.510 0.000 5.484) 7.100 4.201 ( 1.572 0.000 -0.111) 1.576 4.324 ( -3.180 0.000 -1.772) 3.641 4.333 ( 3.181 0.000 -2.257) 3.900 4.337 ( 0.197 0.000 -3.780) 3.785 4.442 ( 4.609 0.000 -0.385) 4.626 4.609 ( -3.674 0.000 0.267) 3.683 4.666 ( 4.370 0.000 0.682) 4.423 4.672 ( 3.854 0.000 0.577) 3.897 4.738 ( -0.037 0.000 -3.523) 3.523 4.849 ( 19.655 0.000 -12.960) 23.543 4.872 ( 3.500 0.000 1.241) 3.714 4.983 ( 3.258 0.000 2.507) 4.111 5.020 ( 2.717 0.000 -0.908) 2.864 5.175 ( -2.987 0.000 0.809) 3.095 5.255 ( -2.472 0.000 -2.920) 3.826 5.502 ( -17.301 0.000 10.812) 20.401 5.532 ( 3.437 0.000 -2.113) 4.035 5.728 ( 1.030 0.000 3.593) 3.738 5.809 ( -2.340 0.000 1.069) 2.573 5.989 ( 1.718 0.000 -1.899) 2.561 6.125 ( 0.647 0.000 -4.932) 4.975 9.921 ( -0.381 0.000 2.066) 2.101 10.206 ( -0.699 0.000 1.454) 1.614 10.217 ( -2.632 0.000 3.945) 4.743 10.281 ( -0.872 0.000 1.277) 1.546 10.713 ( -0.627 0.000 2.571) 2.646 10.930 ( 0.813 0.000 -2.686) 2.807 11.200 ( -1.371 0.000 5.174) 5.353 12.018 ( 10.449 0.000 -7.732) 12.998 12.434 ( 0.766 0.000 2.219) 2.347 12.838 ( -2.885 0.000 -3.521) 4.552 13.303 ( 0.210 0.000 0.834) 0.860 14.114 ( 0.376 0.000 -4.240) 4.257======================= Grid point 51 (19/88) =======================q-point: ( 0.33 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.870 ( 18.257 0.000 3.096) 18.518 0.999 ( 16.263 0.000 8.900) 18.539 1.478 ( 8.634 0.000 4.856) 9.906 1.559 ( 0.133 0.000 7.028) 7.029 1.726 ( -4.101 0.000 3.344) 5.292 1.874 ( -7.971 0.000 15.554) 17.477 2.160 ( -4.215 0.000 0.800) 4.290 2.419 ( -5.306 0.000 -2.444) 5.842 2.441 ( 0.759 0.000 -3.312) 3.397 2.703 ( -0.463 0.000 3.346) 3.378 2.723 ( -0.889 0.000 -1.943) 2.137 2.840 ( -0.426 0.000 -2.280) 2.320 2.922 ( -6.580 0.000 -3.164) 7.301 3.000 ( -0.117 0.000 4.138) 4.140 3.062 ( 4.209 0.000 2.535) 4.914 3.155 ( -3.635 0.000 5.749) 6.801 3.223 ( 1.903 0.000 -10.984) 11.148 3.260 ( -4.831 0.000 -4.325) 6.484 3.406 ( 0.700 0.000 -4.360) 4.416 3.438 ( -2.820 0.000 1.698) 3.292 3.465 ( 2.621 0.000 2.601) 3.692 3.553 ( 5.859 0.000 -1.219) 5.984 3.726 ( -2.887 0.000 0.260) 2.899 3.855 ( -6.046 0.000 -0.115) 6.047 3.946 ( -1.237 0.000 1.821) 2.201 3.978 ( -4.164 0.000 5.828) 7.163 3.982 ( 1.690 0.000 3.576) 3.955 4.219 ( 1.050 0.000 -0.233) 1.075 4.286 ( -0.403 0.000 -3.257) 3.282 4.317 ( -0.522 0.000 -2.825) 2.873 4.355 ( -2.805 0.000 1.273) 3.081 4.543 ( 5.426 0.000 -1.206) 5.558 4.545 ( 0.120 0.000 -3.003) 3.005 4.709 ( -0.910 0.000 -2.431) 2.596 4.722 ( 1.450 0.000 1.889) 2.382 4.800 ( 7.539 0.000 -3.505) 8.314 4.924 ( -0.313 0.000 -0.159) 0.351 4.944 ( 2.864 0.000 0.038) 2.864 5.056 ( 0.927 0.000 0.307) 0.976 5.063 ( -4.918 0.000 4.871) 6.922 5.183 ( -3.709 0.000 -1.131) 3.878 5.215 ( 5.611 0.000 -5.736) 8.024 5.317 ( -2.419 0.000 1.532) 2.863 5.571 ( 1.658 0.000 -3.377) 3.762 5.769 ( -1.865 0.000 0.647) 1.974 5.800 ( 4.320 0.000 2.326) 4.907 6.002 ( 0.542 0.000 -2.908) 2.959 6.130 ( 1.459 0.000 -4.067) 4.321 9.923 ( -0.306 0.000 2.238) 2.258 10.196 ( -0.759 0.000 1.353) 1.551 10.260 ( 4.185 0.000 1.312) 4.386 10.291 ( 0.981 0.000 -0.684) 1.196 10.717 ( 0.016 0.000 2.301) 2.301 10.929 ( 0.103 0.000 -2.617) 2.619 11.196 ( -0.965 0.000 5.115) 5.205 12.139 ( 5.098 0.000 -1.811) 5.411 12.457 ( 0.610 0.000 2.009) 2.099 12.762 ( -2.599 0.000 -9.750) 10.090 13.250 ( -5.432 0.000 6.685) 8.613 14.110 ( 0.808 0.000 -4.071) 4.150======================= Grid point 52 (20/88) =======================q-point: (-0.50 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( 3.563 0.000 -3.635) 5.090 1.250 ( 0.040 0.000 5.315) 5.315 1.395 ( -2.573 0.000 7.888) 8.297 1.576 ( -3.748 0.000 5.613) 6.749 1.578 ( -0.133 0.000 2.387) 2.391 1.968 ( -2.374 0.000 20.930) 21.064 2.178 ( 0.866 0.000 -3.008) 3.130 2.276 ( -4.366 0.000 -4.179) 6.043 2.491 ( 4.467 0.000 -2.251) 5.002 2.582 ( -6.799 0.000 1.963) 7.076 2.674 ( -2.002 0.000 -5.250) 5.619 2.824 ( -0.416 0.000 -2.031) 2.073 2.864 ( -0.521 0.000 -2.807) 2.855 3.025 ( 1.294 0.000 3.522) 3.752 3.068 ( -5.482 0.000 0.417) 5.498 3.160 ( 2.865 0.000 5.771) 6.443 3.188 ( 0.882 0.000 0.757) 1.162 3.262 ( 4.196 0.000 -5.275) 6.740 3.406 ( -0.008 0.000 2.665) 2.665 3.431 ( 0.367 0.000 -3.652) 3.670 3.514 ( 3.072 0.000 -1.397) 3.375 3.629 ( -1.174 0.000 -0.739) 1.387 3.700 ( -0.238 0.000 3.510) 3.518 3.792 ( 3.186 0.000 -0.424) 3.214 3.901 ( -1.493 0.000 2.868) 3.233 3.987 ( 0.330 0.000 4.678) 4.690 4.032 ( 1.413 0.000 1.772) 2.266 4.226 ( -1.640 0.000 0.789) 1.820 4.239 ( -5.743 0.000 -0.896) 5.812 4.277 ( 1.717 0.000 -4.424) 4.746 4.324 ( 0.395 0.000 0.113) 0.411 4.572 ( 2.485 0.000 -4.196) 4.876 4.615 ( 1.970 0.000 -1.879) 2.722 4.669 ( -2.157 0.000 -3.729) 4.308 4.755 ( 0.631 0.000 3.609) 3.664 4.888 ( 0.864 0.000 -4.246) 4.333 4.891 ( -2.881 0.000 -0.569) 2.937 4.976 ( 1.747 0.000 -1.086) 2.057 5.002 ( -1.432 0.000 4.036) 4.282 5.072 ( 1.006 0.000 -0.140) 1.016 5.126 ( -1.625 0.000 2.050) 2.616 5.152 ( -6.337 0.000 2.268) 6.731 5.399 ( 5.815 0.000 -6.827) 8.968 5.586 ( 1.177 0.000 -2.296) 2.580 5.750 ( -0.076 0.000 0.289) 0.299 5.894 ( 4.310 0.000 2.995) 5.248 5.995 ( 0.140 0.000 -3.817) 3.819 6.145 ( 1.251 0.000 -3.220) 3.455 9.925 ( -0.358 0.000 2.361) 2.388 10.190 ( -0.320 0.000 1.243) 1.283 10.300 ( 0.281 0.000 -0.560) 0.627 10.366 ( 5.841 0.000 1.929) 6.152 10.731 ( 0.464 0.000 3.758) 3.786 10.918 ( 0.017 0.000 -3.467) 3.467 11.199 ( -0.736 0.000 5.876) 5.922 12.227 ( 4.076 0.000 3.644) 5.468 12.466 ( -0.497 0.000 1.656) 1.729 12.660 ( -3.119 0.000 -18.391) 18.654 13.165 ( -5.991 0.000 8.331) 10.262 14.116 ( 1.131 0.000 -3.607) 3.780======================= Grid point 53 (21/88) =======================q-point: (-0.33 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( -18.088 0.000 8.047) 19.797 1.004 ( -20.225 0.000 9.262) 22.245 1.478 ( -5.790 0.000 1.828) 6.072 1.657 ( 1.133 0.000 -0.047) 1.134 1.670 ( 1.821 0.000 9.487) 9.660 1.787 ( -7.988 0.000 15.073) 17.059 2.127 ( 3.736 0.000 -2.564) 4.531 2.312 ( 3.592 0.000 -2.220) 4.223 2.468 ( 0.159 0.000 -0.790) 0.806 2.624 ( -0.810 0.000 -5.733) 5.790 2.682 ( 4.501 0.000 1.586) 4.772 2.797 ( -1.274 0.000 -3.090) 3.342 2.826 ( 1.752 0.000 -8.131) 8.318 3.044 ( 0.641 0.000 5.845) 5.880 3.074 ( 2.125 0.000 1.843) 2.813 3.200 ( -1.527 0.000 7.998) 8.143 3.221 ( 1.570 0.000 -2.707) 3.129 3.305 ( 2.633 0.000 -3.969) 4.763 3.352 ( -5.634 0.000 -1.480) 5.825 3.467 ( 3.035 0.000 3.917) 4.956 3.559 ( -2.639 0.000 -3.403) 4.306 3.642 ( 9.946 0.000 -1.336) 10.035 3.717 ( -0.038 0.000 4.248) 4.248 3.907 ( 0.766 0.000 -1.028) 1.282 3.912 ( 6.030 0.000 1.497) 6.213 4.007 ( -4.330 0.000 3.830) 5.781 4.012 ( 0.906 0.000 4.779) 4.864 4.170 ( -3.579 0.000 0.516) 3.616 4.190 ( 2.162 0.000 -5.882) 6.267 4.308 ( 2.186 0.000 -2.658) 3.442 4.338 ( 0.558 0.000 0.174) 0.585 4.583 ( 0.180 0.000 -4.671) 4.674 4.613 ( -1.766 0.000 -2.301) 2.901 4.620 ( -0.344 0.000 -0.046) 0.347 4.680 ( -8.502 0.000 3.559) 9.217 4.842 ( -2.648 0.000 -0.734) 2.748 4.925 ( 5.523 0.000 -3.639) 6.614 4.988 ( -0.171 0.000 -3.333) 3.338 5.001 ( -5.541 0.000 -1.689) 5.792 5.018 ( -2.822 0.000 3.953) 4.857 5.035 ( -4.363 0.000 1.571) 4.638 5.181 ( 4.949 0.000 -0.542) 4.979 5.454 ( 2.033 0.000 -3.966) 4.457 5.608 ( 1.585 0.000 -0.104) 1.588 5.769 ( 1.842 0.000 0.331) 1.871 5.981 ( -0.215 0.000 -3.783) 3.789 5.996 ( 5.146 0.000 4.816) 7.048 6.153 ( 0.698 0.000 -3.130) 3.207 9.925 ( -0.441 0.000 2.335) 2.376 10.193 ( 0.191 0.000 1.219) 1.234 10.294 ( -0.603 0.000 -0.643) 0.881 10.502 ( 7.251 0.000 2.212) 7.581 10.781 ( 3.552 0.000 9.809) 10.433 10.909 ( 0.522 0.000 -4.330) 4.361 11.207 ( -0.850 0.000 6.646) 6.700 12.336 ( 5.177 0.000 9.390) 10.722 12.451 ( -1.440 0.000 1.512) 2.088 12.474 ( -8.626 0.000 -31.437) 32.599 13.081 ( -5.791 0.000 8.675) 10.430 14.125 ( 1.020 0.000 -3.320) 3.473======================= Grid point 54 (22/88) =======================q-point: (-0.17 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.633 ( -16.489 0.000 17.338) 23.927 0.659 ( -18.664 0.000 16.283) 24.769 1.125 ( -28.394 0.000 27.720) 39.681 1.586 ( -1.874 0.000 2.319) 2.981 1.592 ( -3.644 0.000 -2.102) 4.207 2.039 ( 15.386 0.000 2.488) 15.586 2.311 ( 9.832 0.000 2.669) 10.188 2.346 ( 2.787 0.000 -4.235) 5.070 2.478 ( -0.784 0.000 1.690) 1.863 2.618 ( 2.449 0.000 -4.142) 4.812 2.641 ( -4.153 0.000 -2.534) 4.865 2.780 ( 1.515 0.000 -4.010) 4.286 2.945 ( 8.921 0.000 0.980) 8.975 3.047 ( -7.473 0.000 3.047) 8.071 3.103 ( 4.352 0.000 3.064) 5.322 3.190 ( -0.764 0.000 4.897) 4.957 3.203 ( -1.598 0.000 -0.011) 1.598 3.277 ( -1.235 0.000 -1.347) 1.827 3.352 ( 3.011 0.000 -2.366) 3.829 3.485 ( -1.083 0.000 -0.439) 1.168 3.529 ( -0.391 0.000 -4.352) 4.369 3.687 ( -3.262 0.000 0.308) 3.277 3.819 ( 2.638 0.000 -0.232) 2.648 3.914 ( 3.282 0.000 -4.607) 5.657 3.948 ( -1.694 0.000 4.912) 5.196 4.005 ( 1.650 0.000 1.300) 2.101 4.080 ( 4.801 0.000 4.992) 6.926 4.115 ( -2.196 0.000 3.034) 3.745 4.228 ( 3.416 0.000 -6.652) 7.478 4.335 ( 1.390 0.000 -2.763) 3.093 4.346 ( 0.866 0.000 -0.937) 1.275 4.514 ( -9.432 0.000 0.655) 9.454 4.563 ( -1.043 0.000 -1.306) 1.671 4.605 ( 2.441 0.000 -1.688) 2.968 4.614 ( -0.810 0.000 0.131) 0.821 4.745 ( -14.650 0.000 -3.683) 15.106 4.804 ( -1.612 0.000 0.307) 1.641 4.938 ( -5.514 0.000 2.198) 5.936 4.967 ( -0.481 0.000 -3.640) 3.671 4.992 ( -0.514 0.000 2.638) 2.687 5.094 ( 6.839 0.000 -0.421) 6.852 5.260 ( 3.402 0.000 -2.442) 4.188 5.458 ( -0.066 0.000 -1.901) 1.903 5.640 ( 1.376 0.000 1.212) 1.834 5.814 ( 2.115 0.000 1.073) 2.371 5.962 ( -0.248 0.000 -3.482) 3.491 6.125 ( 5.344 0.000 1.667) 5.599 6.149 ( 0.228 0.000 -3.615) 3.622 9.924 ( -0.484 0.000 2.170) 2.223 10.203 ( 0.271 0.000 1.338) 1.365 10.276 ( -0.793 0.000 -0.816) 1.138 10.615 ( 3.562 0.000 -3.267) 4.834 10.909 ( 1.141 0.000 -4.465) 4.609 11.053 ( 22.388 0.000 19.562) 29.730 11.212 ( -1.197 0.000 6.756) 6.862 11.965 ( -35.588 0.000 -43.964) 56.563 12.429 ( -1.305 0.000 1.714) 2.154 12.537 ( 13.061 0.000 14.019) 19.161 13.008 ( -4.776 0.000 8.801) 10.013 14.129 ( 0.595 0.000 -3.488) 3.538======================= Grid point 55 (23/88) =======================q-point: ( 0.00 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.536 ( 0.753 13.472 12.904) 18.670 0.661 ( -5.518 18.724 13.294) 23.617 1.256 ( -7.010 28.878 29.935) 42.180 1.623 ( 2.573 6.449 -0.478) 6.960 1.688 ( -0.515 8.215 0.336) 8.238 2.250 ( -4.075 -5.620 2.621) 7.420 2.305 ( 8.290 -0.561 -1.007) 8.369 2.416 ( -3.065 0.830 0.754) 3.263 2.517 ( 1.764 -5.078 -2.485) 5.922 2.530 ( 6.036 -0.153 -2.301) 6.462 2.611 ( -0.138 -6.954 -1.067) 7.036 2.738 ( 0.994 -6.920 -0.939) 7.054 2.814 ( -5.047 -2.544 1.692) 5.900 3.041 ( 3.668 -9.719 7.877) 13.037 3.114 ( 0.891 -3.493 -0.720) 3.676 3.200 ( -1.773 -2.284 -1.541) 3.276 3.267 ( 1.254 4.759 -4.926) 6.964 3.341 ( 3.877 2.052 3.182) 5.419 3.386 ( 1.082 1.134 -3.753) 4.067 3.415 ( -3.481 -4.235 -3.205) 6.350 3.461 ( -0.332 0.300 -1.746) 1.802 3.689 ( 0.350 0.603 -0.294) 0.757 3.710 ( -3.978 1.188 -4.525) 6.141 3.917 ( -1.568 -2.753 0.706) 3.246 3.940 ( 0.526 -1.132 4.104) 4.289 3.992 ( 0.812 -2.054 0.488) 2.262 4.078 ( -0.899 0.078 -0.633) 1.102 4.199 ( -5.553 0.472 4.539) 7.188 4.231 ( 3.559 -1.193 -0.037) 3.753 4.359 ( 6.435 2.800 -1.963) 7.287 4.397 ( -3.675 -1.507 -0.514) 4.005 4.422 ( 2.908 -0.660 -0.398) 3.008 4.538 ( -1.972 6.508 1.620) 6.990 4.640 ( -1.658 1.543 -0.754) 2.388 4.672 ( 1.627 3.101 1.016) 3.646 4.735 ( 4.347 -1.149 1.034) 4.613 4.777 ( -0.658 2.343 -0.782) 2.556 4.874 ( 0.681 5.362 -3.040) 6.201 4.997 ( -0.247 0.639 0.077) 0.689 5.054 ( 1.619 5.296 -1.564) 5.755 5.181 ( 0.286 -0.020 0.170) 0.333 5.311 ( 1.071 1.522 -4.346) 4.728 5.406 ( 0.696 -5.675 -0.007) 5.717 5.597 ( -5.612 -8.018 8.430) 12.917 5.641 ( -2.232 -3.074 2.572) 4.587 5.954 ( 1.023 -0.516 -3.426) 3.612 6.119 ( -0.759 -1.150 -4.363) 4.576 6.144 ( -4.286 3.402 -6.587) 8.563 10.005 ( 2.643 4.008 -5.002) 6.934 10.222 ( 0.960 1.245 0.144) 1.579 10.261 ( -0.539 0.189 -1.068) 1.211 10.497 ( -11.575 -4.805 -2.636) 12.807 10.791 ( -9.730 0.095 6.379) 11.635 10.954 ( 0.983 3.347 -4.342) 5.569 11.407 ( -5.300 4.935 -0.443) 7.255 11.734 ( 12.730 3.440 -15.206) 20.128 12.367 ( -0.463 -2.017 7.811) 8.080 12.764 ( 4.613 -7.240 7.902) 11.668 13.186 ( 5.652 9.927 6.982) 13.387 14.101 ( -0.884 -2.710 -3.430) 4.460======================= Grid point 56 (24/88) =======================q-point: ( 0.17 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( 6.671 11.765 12.035) 18.104 0.735 ( 11.943 13.411 8.308) 19.786 1.401 ( 8.629 23.079 23.182) 33.831 1.670 ( 0.709 9.831 -1.233) 9.934 1.726 ( 5.871 5.956 1.683) 8.531 2.092 ( -12.991 -2.745 6.558) 14.809 2.287 ( -5.887 -0.518 1.039) 6.000 2.412 ( -3.464 -2.472 -2.472) 4.921 2.505 ( 0.895 -1.298 -1.103) 1.924 2.584 ( 1.055 -6.758 0.599) 6.866 2.685 ( 7.209 -0.704 0.434) 7.256 2.730 ( 2.178 -4.950 -1.518) 5.617 2.879 ( 5.666 -5.655 -0.409) 8.016 3.040 ( -2.807 -2.518 2.476) 4.511 3.058 ( -6.027 -2.284 -1.051) 6.531 3.152 ( -4.461 -7.853 2.059) 9.263 3.254 ( -2.998 0.103 -10.897) 11.302 3.315 ( 1.121 3.074 -1.573) 3.630 3.393 ( 0.442 -3.055 2.778) 4.153 3.442 ( 3.619 0.011 -2.462) 4.377 3.469 ( 1.297 3.027 -0.630) 3.353 3.612 ( -4.318 7.509 -0.202) 8.664 3.732 ( -0.182 -4.448 -2.477) 5.094 3.897 ( -0.660 -3.149 2.259) 3.932 3.948 ( -5.590 -1.382 0.600) 5.790 3.962 ( 1.401 -1.820 2.651) 3.508 4.064 ( -0.428 -1.060 0.555) 1.271 4.139 ( -1.953 0.196 2.751) 3.380 4.288 ( 0.981 -2.028 -2.780) 3.578 4.321 ( -1.525 -2.626 -1.712) 3.487 4.369 ( -2.967 0.844 2.669) 4.079 4.483 ( 3.383 3.400 -2.244) 5.295 4.590 ( -1.802 -0.689 1.576) 2.491 4.637 ( 5.629 -0.810 -1.198) 5.812 4.727 ( 3.053 3.074 2.386) 4.946 4.782 ( 2.569 -4.307 1.957) 5.384 4.831 ( 2.314 7.371 -3.018) 8.294 4.929 ( 5.588 2.870 -4.578) 7.774 4.992 ( 0.271 -0.439 0.987) 1.114 5.108 ( 5.528 3.817 -4.729) 8.215 5.136 ( -4.353 -0.347 2.369) 4.968 5.298 ( -0.598 3.156 -4.502) 5.531 5.399 ( -5.877 -7.186 4.907) 10.500 5.512 ( 0.484 -0.901 2.523) 2.722 5.653 ( 1.519 -3.546 2.400) 4.543 5.913 ( -4.316 3.003 -3.200) 6.155 6.046 ( -0.257 4.474 -3.315) 5.574 6.114 ( 0.472 -1.266 -4.656) 4.848 10.024 ( 0.668 4.634 -6.125) 7.709 10.216 ( -4.773 3.060 2.603) 6.238 10.246 ( 1.779 1.228 -1.623) 2.703 10.297 ( -2.685 1.531 2.900) 4.238 10.727 ( -0.936 1.815 2.668) 3.360 10.951 ( 0.179 2.108 -3.356) 3.967 11.328 ( -2.505 9.811 2.017) 10.324 11.959 ( 11.065 -6.432 -9.340) 15.845 12.388 ( -0.060 -2.573 7.074) 7.528 12.780 ( -2.496 -6.557 -1.341) 7.143 13.287 ( 0.142 3.764 7.998) 8.840 14.092 ( 1.352 -2.448 -4.477) 5.279======================= Grid point 57 (25/88) =======================q-point: ( 0.33 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( 13.363 5.182 5.301) 15.282 1.050 ( 15.947 6.831 6.454) 18.510 1.512 ( -4.775 3.149 4.512) 7.286 1.705 ( -3.009 11.789 2.174) 12.359 1.789 ( -7.199 5.379 8.320) 12.247 1.982 ( 8.250 9.610 9.908) 16.081 2.168 ( -1.948 2.180 0.943) 3.071 2.370 ( -1.457 -2.399 -2.529) 3.778 2.480 ( -2.442 1.187 -2.951) 4.010 2.598 ( -0.459 -7.417 -1.298) 7.543 2.756 ( -0.009 -5.769 -2.615) 6.334 2.786 ( 0.775 1.903 3.090) 3.710 2.925 ( -5.738 -0.692 -1.181) 5.899 2.979 ( 3.744 -5.476 0.353) 6.643 3.017 ( 0.966 1.206 3.474) 3.802 3.095 ( -0.395 -6.094 0.651) 6.141 3.172 ( -1.056 -0.778 -7.879) 7.988 3.342 ( 0.186 3.629 -2.104) 4.199 3.402 ( -2.584 -3.996 1.397) 4.960 3.449 ( 1.949 -1.263 1.219) 2.623 3.496 ( -5.712 6.179 2.068) 8.665 3.563 ( 5.504 3.453 -3.690) 7.472 3.699 ( -1.675 -1.970 1.649) 3.066 3.828 ( -5.691 -2.800 0.097) 6.344 3.886 ( -0.805 -1.566 1.430) 2.268 3.992 ( -2.054 -1.395 3.697) 4.453 4.048 ( -0.038 1.343 1.883) 2.313 4.140 ( 2.210 -3.637 0.435) 4.278 4.251 ( -1.776 -1.704 -1.099) 2.696 4.325 ( -3.527 -3.253 2.456) 5.390 4.339 ( 1.927 -1.553 -3.738) 4.483 4.497 ( -0.692 1.575 -1.502) 2.284 4.583 ( 1.749 0.113 -2.922) 3.407 4.709 ( 2.719 1.738 0.864) 3.341 4.781 ( 0.294 2.731 0.691) 2.832 4.841 ( 2.495 -2.591 0.180) 3.601 4.888 ( 5.532 1.720 0.107) 5.794 4.977 ( -1.068 -0.417 -2.308) 2.577 4.988 ( -1.288 -0.178 1.862) 2.271 5.056 ( -2.053 -2.141 0.491) 3.007 5.171 ( -2.012 0.887 0.881) 2.369 5.283 ( -2.301 3.340 -0.719) 4.119 5.329 ( 3.951 1.869 -4.393) 6.197 5.553 ( 1.918 -1.269 -2.183) 3.171 5.720 ( 4.235 -4.685 3.028) 7.004 5.825 ( -3.368 3.122 -1.663) 4.884 6.047 ( 0.784 2.716 -3.772) 4.714 6.115 ( 1.166 -1.504 -3.526) 4.007 9.997 ( -1.027 4.982 -2.486) 5.662 10.180 ( -0.929 0.618 3.501) 3.675 10.287 ( 2.534 0.198 -2.288) 3.420 10.303 ( 1.810 1.918 0.466) 2.678 10.731 ( 0.126 1.623 2.456) 2.947 10.940 ( -0.059 0.994 -2.853) 3.022 11.299 ( -1.497 8.815 1.814) 9.124 12.100 ( 6.474 -4.651 -2.877) 8.474 12.412 ( -0.055 -3.509 6.198) 7.122 12.697 ( -4.005 -6.995 -7.868) 11.263 13.272 ( -3.946 5.487 9.204) 11.419 14.108 ( 1.833 -1.037 -4.765) 5.209======================= Grid point 58 (26/88) =======================q-point: (-0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( 7.093 1.333 -0.624) 7.244 1.215 ( -10.160 -1.807 3.100) 10.775 1.470 ( 7.916 4.086 4.990) 10.210 1.528 ( -7.258 7.286 11.922) 15.745 1.725 ( -1.975 8.862 2.661) 9.462 2.129 ( -1.403 2.971 2.887) 4.374 2.244 ( 1.519 9.894 1.845) 10.178 2.293 ( -3.651 4.980 -0.436) 6.190 2.479 ( 5.125 -1.324 -2.293) 5.768 2.542 ( -4.064 -4.926 -2.139) 6.735 2.660 ( -6.203 -1.074 -1.329) 6.434 2.761 ( -1.595 -4.216 -1.079) 4.635 2.887 ( 0.460 0.324 -2.225) 2.295 3.015 ( 0.566 0.072 3.449) 3.496 3.086 ( -2.207 1.279 2.495) 3.568 3.123 ( 4.335 -1.402 5.143) 6.871 3.166 ( 4.311 -4.853 -8.063) 10.351 3.291 ( -1.471 6.083 0.900) 6.322 3.367 ( 0.191 -3.086 2.395) 3.911 3.458 ( -1.978 -0.250 1.455) 2.468 3.504 ( 3.433 -1.888 -1.977) 4.388 3.596 ( -2.618 -2.980 -0.888) 4.065 3.703 ( 2.571 2.519 1.919) 4.079 3.786 ( 2.073 -0.873 0.550) 2.316 3.897 ( 1.149 -1.534 1.033) 2.177 3.953 ( -1.905 2.900 4.291) 5.518 4.080 ( 2.561 -7.127 -0.462) 7.587 4.162 ( -2.418 0.224 4.114) 4.777 4.220 ( -3.391 -1.618 -1.188) 3.940 4.252 ( -0.118 -2.080 -0.157) 2.089 4.375 ( 2.435 2.876 -4.107) 5.574 4.483 ( 0.251 -4.448 -1.442) 4.682 4.605 ( 1.079 -1.154 -3.391) 3.741 4.744 ( -1.277 3.608 -0.777) 3.905 4.771 ( 0.626 1.620 0.409) 1.784 4.834 ( -3.784 -3.346 0.969) 5.144 4.923 ( -3.507 0.952 -4.005) 5.408 4.941 ( -2.224 -5.111 4.312) 7.047 4.986 ( 3.482 -0.632 0.024) 3.539 5.086 ( 2.976 2.130 -0.449) 3.687 5.118 ( -1.361 2.035 2.218) 3.303 5.226 ( -2.780 5.160 -0.491) 5.882 5.412 ( 4.327 1.285 -5.758) 7.316 5.569 ( 0.748 -1.316 -1.969) 2.484 5.767 ( -2.115 -1.363 1.124) 2.756 5.825 ( 4.938 -1.854 1.012) 5.370 6.046 ( 0.842 2.440 -4.152) 4.889 6.128 ( 1.179 -1.496 -2.650) 3.264 9.977 ( -0.411 3.967 -1.064) 4.128 10.180 ( -0.265 0.280 2.517) 2.547 10.304 ( 0.332 0.055 -0.854) 0.918 10.374 ( 4.732 0.227 -0.082) 4.739 10.749 ( 0.672 1.920 3.808) 4.317 10.933 ( 0.504 1.074 -3.222) 3.434 11.278 ( -1.279 6.789 1.653) 7.104 12.204 ( 4.562 -2.416 2.697) 5.825 12.428 ( -0.236 -4.638 4.416) 6.408 12.572 ( -5.137 -7.463 -13.317) 16.107 13.220 ( -4.574 7.751 8.738) 12.545 14.126 ( 1.627 -0.120 -4.206) 4.511======================= Grid point 59 (27/88) =======================q-point: (-0.33 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.916 ( -18.104 0.726 6.965) 19.412 1.049 ( -15.139 8.072 6.817) 18.461 1.571 ( 3.354 5.220 4.549) 7.694 1.693 ( 0.940 5.104 4.464) 6.846 1.766 ( 10.277 6.630 1.750) 12.354 1.943 ( -17.774 12.882 10.661) 24.403 2.156 ( -2.048 4.148 0.496) 4.652 2.297 ( 3.463 -1.217 -3.950) 5.392 2.485 ( 0.373 1.014 -0.448) 1.169 2.540 ( -2.011 -5.917 -3.448) 7.138 2.649 ( 2.496 -5.146 -2.613) 6.288 2.756 ( 3.341 -2.921 -1.905) 4.830 2.848 ( -2.633 1.083 -5.283) 6.002 3.029 ( -0.567 -3.137 2.625) 4.130 3.067 ( 0.600 2.948 5.029) 5.860 3.187 ( -1.746 -2.810 2.649) 4.239 3.224 ( 3.674 -1.792 1.179) 4.254 3.300 ( 0.905 4.205 -3.477) 5.531 3.386 ( -3.166 0.863 -1.225) 3.502 3.445 ( 3.533 -1.545 3.380) 5.128 3.519 ( -1.029 -3.046 -2.368) 3.993 3.626 ( 7.872 -2.495 0.511) 8.274 3.742 ( 0.490 2.882 1.825) 3.446 3.882 ( 5.295 -1.840 0.598) 5.637 3.904 ( -0.318 -1.422 -1.801) 2.317 3.947 ( -0.856 -0.570 4.219) 4.342 4.093 ( -3.175 1.095 2.164) 3.995 4.126 ( -1.405 -2.229 5.904) 6.465 4.200 ( 4.631 -3.290 -4.040) 6.970 4.264 ( -0.146 -0.362 -2.099) 2.135 4.394 ( 1.530 5.432 -1.439) 5.824 4.493 ( 0.260 -6.401 -1.597) 6.603 4.585 ( -2.001 -2.317 -2.715) 4.092 4.687 ( -3.388 2.846 0.180) 4.428 4.725 ( -4.187 4.629 0.911) 6.307 4.823 ( 0.372 -2.158 -1.614) 2.720 4.859 ( -2.084 -4.399 -0.640) 4.910 4.889 ( -1.846 -4.410 1.528) 5.019 5.027 ( 0.570 0.848 -0.537) 1.154 5.080 ( -1.809 4.909 -0.996) 5.326 5.154 ( -1.843 5.068 2.146) 5.804 5.204 ( 4.459 4.014 -3.825) 7.115 5.443 ( 0.710 -0.703 -3.503) 3.643 5.578 ( 0.771 -2.318 0.055) 2.444 5.737 ( -1.826 -3.956 2.972) 5.274 5.911 ( 3.395 -1.839 -1.548) 4.160 6.069 ( 3.282 2.683 -1.527) 4.506 6.138 ( 0.852 -1.425 -2.987) 3.417 9.971 ( 0.231 3.533 -1.204) 3.739 10.188 ( 0.276 0.392 1.934) 1.992 10.297 ( -0.691 0.096 -0.673) 0.970 10.476 ( 5.483 -2.674 0.404) 6.114 10.794 ( 2.193 1.461 7.962) 8.387 10.936 ( 1.198 2.320 -4.191) 4.938 11.267 ( -0.239 4.403 1.532) 4.668 12.289 ( 1.840 -3.280 1.931) 4.227 12.361 ( -7.460 -11.442 -20.533) 24.661 12.472 ( 0.081 2.333 9.408) 9.693 13.163 ( -4.099 9.637 7.506) 12.884 14.138 ( 0.963 -0.166 -3.774) 3.898======================= Grid point 60 (28/88) =======================q-point: (-0.17 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.628 ( -13.642 7.606 11.146) 19.188 0.798 ( -13.236 13.859 13.275) 23.312 1.454 ( -18.767 22.379 20.267) 35.550 1.645 ( -5.979 7.538 1.583) 9.751 1.696 ( -0.958 8.298 0.891) 8.400 2.057 ( 14.373 1.812 2.143) 14.645 2.264 ( 4.750 -3.845 1.720) 6.349 2.346 ( 6.913 -0.130 -5.529) 8.853 2.490 ( -1.751 -4.669 -1.991) 5.369 2.507 ( 1.027 -2.478 0.349) 2.705 2.632 ( -0.598 -5.141 -5.037) 7.222 2.743 ( -3.484 -1.223 -0.229) 3.700 2.896 ( 6.829 -4.569 1.496) 8.351 2.969 ( -7.070 -5.299 2.001) 9.060 3.113 ( -0.416 -0.231 3.173) 3.209 3.188 ( 4.187 -0.027 3.744) 5.617 3.240 ( -1.635 -0.329 -0.197) 1.679 3.292 ( 0.421 4.261 -2.502) 4.959 3.367 ( 1.441 0.987 -2.686) 3.204 3.481 ( 0.131 -0.091 -1.032) 1.044 3.491 ( -1.770 -2.428 -4.024) 5.021 3.713 ( -1.746 -2.219 0.831) 2.943 3.787 ( 1.407 0.119 -2.314) 2.711 3.886 ( 1.994 -1.712 0.237) 2.639 3.929 ( -0.623 -1.022 3.895) 4.075 3.972 ( 1.608 -2.913 0.145) 3.330 4.086 ( 0.971 0.788 -0.487) 1.342 4.131 ( 1.266 1.462 6.870) 7.138 4.252 ( 1.381 1.649 -3.628) 4.217 4.273 ( 2.107 -2.802 -0.082) 3.507 4.419 ( -1.050 -1.149 0.106) 1.560 4.479 ( -1.520 2.529 -1.862) 3.489 4.531 ( -0.041 -2.305 -0.476) 2.354 4.646 ( -0.387 3.122 0.763) 3.237 4.676 ( -0.646 3.960 -1.215) 4.192 4.749 ( -5.946 -1.437 1.192) 6.233 4.820 ( -1.993 -1.419 0.683) 2.540 4.927 ( -1.537 2.053 -2.276) 3.429 4.969 ( 0.098 2.188 -3.220) 3.894 5.051 ( -0.703 1.368 0.497) 1.616 5.152 ( 1.255 5.305 0.578) 5.483 5.278 ( 3.820 2.072 -4.014) 5.916 5.424 ( -1.499 -2.904 -1.137) 3.460 5.599 ( 0.727 -3.672 2.171) 4.327 5.705 ( -3.447 -6.989 5.367) 9.462 5.941 ( 1.417 -1.044 -3.941) 4.316 6.129 ( 0.795 -1.323 -2.622) 3.043 6.164 ( 4.058 0.980 -3.203) 5.261 9.979 ( 1.294 3.743 -2.486) 4.676 10.204 ( 0.684 0.646 1.285) 1.593 10.278 ( -0.912 0.052 -0.694) 1.147 10.561 ( 2.784 -5.390 -2.524) 6.570 10.887 ( 1.133 -5.264 12.581) 13.685 10.946 ( 1.394 3.633 -4.616) 6.038 11.312 ( 6.421 1.871 0.708) 6.725 11.980 ( -18.808 -1.125 -30.882) 36.176 12.347 ( -0.253 -2.152 8.325) 8.602 12.581 ( 6.743 0.456 13.367) 14.978 13.127 ( -1.671 11.758 6.341) 13.463 14.131 ( -0.395 -1.329 -3.664) 3.918======================= Grid point 61 (29/88) =======================q-point: ( 0.00 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( 1.040 22.087 0.342) 22.114 1.066 ( -2.480 20.486 7.516) 21.962 1.751 ( 0.836 7.800 3.028) 8.409 1.831 ( -1.536 14.961 10.396) 18.284 1.858 ( 0.241 11.805 4.214) 12.537 2.141 ( -4.477 -3.547 1.832) 5.998 2.242 ( -0.924 -6.419 -1.844) 6.742 2.337 ( 8.740 -1.681 -0.584) 8.919 2.452 ( 6.933 -6.670 -2.692) 9.990 2.496 ( -5.656 -2.537 -2.354) 6.631 2.561 ( 0.496 4.063 -1.136) 4.248 2.640 ( 2.317 -0.597 1.968) 3.098 2.771 ( -5.292 -3.850 4.730) 8.075 2.857 ( 1.712 -6.527 1.302) 6.872 3.028 ( -0.702 -4.180 1.802) 4.605 3.150 ( -1.944 -2.601 -1.039) 3.409 3.303 ( -1.078 -3.065 -4.401) 5.470 3.376 ( 1.128 2.844 -2.639) 4.041 3.385 ( 1.112 -1.021 -1.586) 2.190 3.421 ( -2.188 3.040 -3.110) 4.869 3.506 ( 0.184 3.156 -0.219) 3.169 3.579 ( 2.377 -6.572 -3.204) 7.688 3.792 ( -3.316 2.036 3.468) 5.213 3.849 ( -1.351 -4.965 1.113) 5.265 3.888 ( -1.369 -3.280 3.246) 4.813 3.948 ( 1.453 -2.342 0.740) 2.854 4.084 ( -0.456 0.468 -1.268) 1.427 4.176 ( -3.182 -2.121 5.039) 6.325 4.227 ( 3.643 -0.235 1.864) 4.099 4.283 ( 0.455 -4.688 1.975) 5.107 4.422 ( -4.024 3.162 -0.980) 5.211 4.502 ( 2.777 4.618 1.600) 5.621 4.579 ( 0.602 -0.290 -1.698) 1.825 4.656 ( -2.263 0.054 0.818) 2.407 4.672 ( 3.290 -0.094 -1.045) 3.453 4.764 ( 1.194 4.367 1.363) 4.728 4.920 ( 3.005 2.081 -1.662) 4.015 4.964 ( 0.675 -0.473 0.021) 0.825 4.994 ( -0.641 6.544 -1.710) 6.794 5.069 ( 0.163 -0.136 -1.760) 1.773 5.226 ( -0.556 -1.346 -2.292) 2.716 5.250 ( -1.465 -0.907 5.743) 5.996 5.381 ( -0.410 2.292 -3.834) 4.486 5.520 ( -1.642 -1.694 3.658) 4.353 5.573 ( -0.375 -3.144 1.060) 3.339 5.922 ( 1.915 -3.637 -4.588) 6.160 6.084 ( -0.098 -1.173 -3.227) 3.435 6.165 ( -1.188 -0.649 -5.589) 5.750 10.061 ( 1.679 2.510 -4.576) 5.482 10.223 ( 0.247 -1.287 -2.975) 3.251 10.283 ( 0.890 1.483 -0.165) 1.737 10.411 ( -3.150 -3.869 -1.533) 5.220 10.848 ( -3.573 5.014 3.137) 6.910 11.045 ( -0.048 5.029 -5.371) 7.358 11.390 ( 5.571 -3.308 2.069) 6.802 11.713 ( 0.821 -6.223 -17.652) 18.735 12.420 ( -2.450 6.669 11.685) 13.676 12.681 ( 0.141 -1.681 12.388) 12.503 13.415 ( 1.646 11.943 2.229) 12.260 14.010 ( -1.000 -6.310 -2.543) 6.877======================= Grid point 62 (30/88) =======================q-point: ( 0.17 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( 4.971 18.785 4.115) 19.862 1.086 ( 3.533 18.676 4.221) 19.470 1.741 ( -3.940 6.652 3.774) 8.603 1.900 ( 3.501 9.733 0.344) 10.349 1.946 ( 6.810 12.736 8.745) 16.884 2.020 ( -7.912 -4.303 3.079) 9.518 2.253 ( 1.649 1.621 2.057) 3.094 2.367 ( -5.036 -2.331 -1.199) 5.677 2.458 ( 3.656 -3.156 -0.348) 4.842 2.509 ( -1.650 0.112 0.661) 1.781 2.585 ( 3.937 -2.666 -3.519) 5.915 2.713 ( 3.749 -0.556 0.809) 3.876 2.787 ( 5.865 -2.487 0.895) 6.433 2.892 ( 0.106 -11.151 1.761) 11.289 3.000 ( -2.034 -2.209 1.652) 3.427 3.072 ( -4.334 -1.961 -3.075) 5.664 3.239 ( -2.683 -1.248 -4.351) 5.262 3.366 ( -1.556 1.481 1.527) 2.635 3.377 ( -1.724 1.966 -3.684) 4.518 3.418 ( 1.604 -1.239 -0.397) 2.065 3.540 ( 5.136 1.075 -2.778) 5.937 3.627 ( 2.386 -5.037 -3.111) 6.383 3.734 ( -3.704 4.060 2.165) 5.906 3.835 ( -1.232 -2.959 2.888) 4.314 3.876 ( -1.956 -6.297 4.553) 8.013 3.936 ( -2.230 -1.741 1.062) 3.022 4.043 ( -2.470 0.489 -2.224) 3.360 4.149 ( -0.797 -0.901 4.116) 4.288 4.260 ( -3.345 -0.746 2.123) 4.032 4.274 ( -1.272 -1.406 0.896) 2.097 4.344 ( -2.628 -0.682 0.731) 2.812 4.564 ( 1.506 4.015 -1.963) 4.716 4.589 ( -0.046 -0.859 4.011) 4.102 4.616 ( 1.642 -0.593 -1.211) 2.125 4.724 ( 2.072 -0.544 -0.063) 2.143 4.807 ( 2.328 3.956 0.575) 4.626 4.941 ( -3.708 -2.779 1.190) 4.784 4.957 ( 1.374 1.473 0.070) 2.016 4.991 ( -1.262 0.730 -2.340) 2.757 5.087 ( 4.301 2.372 -2.728) 5.619 5.214 ( 0.120 2.112 -0.594) 2.198 5.282 ( 1.405 -2.211 2.275) 3.470 5.369 ( 1.114 3.798 -4.174) 5.753 5.520 ( 0.983 1.489 1.640) 2.423 5.576 ( 0.430 -4.142 1.518) 4.432 5.922 ( -0.829 -2.299 -4.388) 5.023 6.074 ( 0.537 -1.322 -3.391) 3.679 6.108 ( -1.668 1.037 -4.956) 5.331 10.070 ( 0.866 1.735 -4.714) 5.097 10.220 ( 0.484 -1.638 -2.664) 3.164 10.303 ( 1.442 1.900 -1.603) 2.874 10.330 ( -3.825 1.464 0.756) 4.165 10.801 ( -1.725 5.719 1.778) 6.232 11.010 ( -1.408 3.309 -4.799) 5.996 11.463 ( 1.354 2.377 -0.324) 2.755 11.767 ( 8.524 -11.437 -9.816) 17.315 12.403 ( -3.361 4.564 11.048) 12.417 12.675 ( -4.201 -2.896 8.011) 9.498 13.452 ( 0.660 10.632 3.725) 11.284 14.010 ( 2.050 -5.790 -3.745) 7.194======================= Grid point 63 (31/88) =======================q-point: ( 0.33 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( 5.317 13.489 5.460) 15.493 1.251 ( 10.372 12.326 1.384) 16.169 1.620 ( -8.937 7.944 3.227) 12.385 1.878 ( -8.663 1.860 8.983) 12.617 1.921 ( -1.670 4.661 -2.961) 5.769 2.070 ( 2.966 0.364 0.746) 3.080 2.288 ( 4.044 1.841 -1.822) 4.803 2.405 ( 3.909 10.363 4.894) 12.109 2.444 ( -2.262 -2.925 -0.318) 3.711 2.507 ( 1.169 -1.351 -0.684) 1.913 2.635 ( 0.061 -3.849 -2.835) 4.780 2.763 ( 3.621 -3.425 -5.938) 7.753 2.838 ( -4.574 -5.797 -0.179) 7.386 2.923 ( 6.643 -3.528 3.051) 8.117 2.999 ( 0.015 -1.318 -0.123) 1.324 3.054 ( 4.509 2.708 2.935) 6.023 3.209 ( -0.532 2.287 1.712) 2.906 3.322 ( -2.798 -0.438 -1.666) 3.285 3.348 ( 1.371 -2.226 -2.430) 3.569 3.434 ( -0.130 -0.266 2.254) 2.274 3.608 ( -2.761 -2.163 -2.014) 4.045 3.635 ( -6.320 6.541 -1.516) 9.221 3.682 ( 6.434 0.169 2.042) 6.753 3.782 ( -4.970 -1.287 0.451) 5.153 3.851 ( 0.526 -4.333 5.178) 6.773 3.892 ( -3.621 -2.479 1.349) 4.591 4.049 ( 3.506 -5.708 -1.511) 6.867 4.120 ( -4.456 4.544 3.551) 7.288 4.187 ( -2.005 -5.989 0.878) 6.377 4.253 ( -1.668 -2.006 2.243) 3.440 4.310 ( -1.029 -0.155 -0.544) 1.174 4.548 ( -2.367 0.384 0.162) 2.403 4.583 ( -0.302 0.688 0.121) 0.761 4.694 ( 2.700 -3.149 2.272) 4.730 4.771 ( 3.161 -2.111 -2.803) 4.723 4.825 ( -1.759 -1.888 0.268) 2.594 4.868 ( -0.765 -1.849 2.301) 3.050 4.949 ( -1.104 1.958 -0.131) 2.252 5.019 ( 0.248 -0.207 0.543) 0.632 5.096 ( 0.750 4.643 -4.217) 6.317 5.218 ( -0.914 3.639 1.262) 3.959 5.325 ( 2.217 2.286 -1.475) 3.510 5.394 ( 3.469 3.594 -4.380) 6.644 5.543 ( 0.648 0.201 -0.990) 1.200 5.626 ( 3.836 -4.133 2.460) 6.152 5.862 ( -3.002 -0.724 -4.294) 5.289 6.075 ( 0.407 -0.510 -4.261) 4.311 6.087 ( 1.036 0.054 -2.517) 2.722 10.060 ( -0.035 2.138 -4.734) 5.194 10.221 ( -0.161 0.791 0.992) 1.279 10.287 ( -0.328 0.836 -2.013) 2.205 10.332 ( 1.768 0.780 -0.959) 2.158 10.793 ( 0.006 4.717 1.692) 5.011 10.970 ( -0.843 1.799 -3.840) 4.323 11.456 ( -0.989 5.178 -4.118) 6.690 11.913 ( 8.028 -13.802 -2.842) 16.217 12.373 ( -3.523 1.875 9.124) 9.959 12.601 ( -5.222 -1.718 5.455) 7.745 13.462 ( -1.006 11.714 4.087) 12.447 14.046 ( 2.767 -5.273 -4.292) 7.340======================= Grid point 64 (32/88) =======================q-point: (-0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( -0.186 7.510 5.072) 9.064 1.337 ( -2.257 10.684 -2.423) 11.185 1.594 ( 7.953 8.109 5.194) 12.489 1.707 ( -9.641 8.232 9.394) 15.778 1.905 ( 0.898 5.154 -1.207) 5.369 2.114 ( 0.860 -2.749 -0.456) 2.916 2.273 ( -3.717 -0.856 -4.107) 5.605 2.398 ( -4.451 -2.840 -2.663) 5.913 2.463 ( 3.020 -2.074 -2.552) 4.465 2.558 ( 2.639 5.829 -0.698) 6.437 2.567 ( -2.165 -4.541 -3.852) 6.336 2.731 ( -5.898 -0.938 3.909) 7.138 2.865 ( 5.191 -0.352 -4.534) 6.901 2.985 ( -1.314 -3.039 3.293) 4.670 3.080 ( 2.788 0.586 2.000) 3.481 3.147 ( 3.214 3.077 5.938) 7.420 3.208 ( 0.245 7.403 1.731) 7.607 3.289 ( 1.427 -1.245 2.673) 3.276 3.402 ( 1.917 -1.627 -1.734) 3.054 3.416 ( -1.437 -2.333 -0.043) 2.741 3.496 ( -3.538 5.857 0.277) 6.848 3.545 ( -1.398 -0.886 -0.219) 1.670 3.737 ( 0.745 -3.010 1.729) 3.550 3.785 ( 0.477 1.293 -1.117) 1.775 3.868 ( 1.439 -2.663 0.972) 3.179 3.894 ( 1.849 -6.141 4.684) 7.942 4.033 ( -1.516 3.788 1.913) 4.506 4.111 ( -0.787 -6.501 1.870) 6.810 4.185 ( 1.353 -2.412 -0.263) 2.778 4.224 ( -1.341 -0.613 1.645) 2.209 4.314 ( 1.985 -4.687 -1.898) 5.432 4.481 ( -4.074 -1.414 1.936) 4.727 4.580 ( -0.025 0.547 -1.610) 1.701 4.707 ( -0.478 -4.382 -0.577) 4.446 4.764 ( -1.923 -4.399 -0.169) 4.804 4.829 ( -1.067 -3.079 0.647) 3.322 4.876 ( 0.301 3.753 0.433) 3.790 4.940 ( 0.725 -0.194 -2.492) 2.603 4.975 ( -2.632 3.046 1.871) 4.439 5.141 ( 3.554 2.400 -1.816) 4.657 5.206 ( -0.180 5.707 1.356) 5.868 5.333 ( -0.101 5.381 -2.732) 6.036 5.448 ( 2.527 2.089 -3.749) 4.980 5.544 ( 0.040 -1.150 -1.252) 1.700 5.682 ( -0.687 -4.369 2.282) 4.977 5.820 ( 1.545 -2.058 -4.030) 4.782 6.074 ( 1.294 0.820 -3.757) 4.057 6.102 ( 0.990 -0.762 -2.144) 2.481 10.043 ( 0.189 2.885 -4.387) 5.253 10.222 ( -0.445 2.878 2.797) 4.038 10.286 ( 0.705 -1.964 -2.925) 3.593 10.365 ( 2.112 -0.960 -1.338) 2.678 10.808 ( 0.787 3.997 2.561) 4.812 10.959 ( 1.227 1.449 -3.430) 3.920 11.404 ( -2.454 4.823 -5.155) 7.474 12.028 ( 4.139 -16.794 -3.959) 17.744 12.337 ( -2.768 2.568 7.943) 8.795 12.538 ( -3.171 1.222 7.056) 7.832 13.446 ( -1.925 13.173 3.337) 13.725 14.076 ( 1.709 -5.096 -3.834) 6.602======================= Grid point 65 (33/88) =======================q-point: (-0.33 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.092 ( -8.862 16.015 2.578) 18.484 1.268 ( -7.749 12.959 3.055) 15.405 1.678 ( 3.075 5.756 6.960) 9.540 1.780 ( 5.998 3.542 4.871) 8.500 1.941 ( 3.461 8.057 -2.929) 9.245 2.070 ( -3.076 -0.665 1.133) 3.345 2.246 ( -0.013 -5.796 -3.911) 6.992 2.259 ( -5.110 0.586 -2.380) 5.667 2.443 ( -5.620 -1.943 0.328) 5.955 2.523 ( -0.014 1.405 -2.382) 2.765 2.590 ( -0.746 4.416 0.553) 4.513 2.703 ( 3.183 -3.047 0.307) 4.417 2.841 ( -5.614 1.209 -4.268) 7.155 2.954 ( -2.763 -3.042 3.248) 5.238 3.088 ( -0.483 -4.838 0.020) 4.862 3.144 ( -2.817 -0.714 9.021) 9.478 3.226 ( 1.036 3.015 1.755) 3.639 3.378 ( -0.736 0.022 -0.277) 0.786 3.409 ( 2.590 4.339 -6.576) 8.293 3.450 ( 4.752 2.304 4.351) 6.843 3.475 ( 0.357 0.167 -1.704) 1.748 3.578 ( 2.923 -1.343 -0.784) 3.311 3.764 ( 0.134 -3.195 -0.487) 3.235 3.815 ( 4.966 -3.505 2.874) 6.724 3.874 ( -1.043 -0.842 1.525) 2.031 3.907 ( -1.129 -2.909 4.581) 5.543 4.081 ( -0.395 -3.113 -0.261) 3.149 4.125 ( 6.299 1.779 3.250) 7.308 4.151 ( -3.272 -1.380 1.816) 3.988 4.242 ( -0.071 -3.186 1.522) 3.532 4.363 ( 3.299 -5.063 -1.485) 6.223 4.457 ( 1.667 -0.532 1.611) 2.379 4.560 ( -0.969 1.882 -3.450) 4.048 4.694 ( -3.390 -3.651 0.260) 4.989 4.719 ( 0.092 -4.590 -1.168) 4.737 4.792 ( -2.029 0.183 0.987) 2.264 4.880 ( -0.562 7.695 -0.154) 7.717 4.889 ( -1.569 1.949 -2.034) 3.225 4.994 ( 1.221 -2.500 0.542) 2.835 5.175 ( -0.120 3.855 -0.620) 3.906 5.241 ( 2.950 2.105 0.640) 3.680 5.301 ( -2.285 6.296 -3.334) 7.482 5.452 ( -0.822 1.602 -2.974) 3.476 5.538 ( -0.355 -1.464 -0.027) 1.506 5.635 ( -3.725 -5.235 3.665) 7.396 5.865 ( 3.347 -4.142 -5.152) 7.410 6.102 ( 1.261 0.302 -1.663) 2.108 6.111 ( 2.368 -0.209 -3.497) 4.228 10.038 ( 0.859 3.276 -4.397) 5.550 10.225 ( -0.014 2.799 1.508) 3.179 10.283 ( -0.205 -1.946 -1.538) 2.489 10.405 ( 2.438 -3.903 -1.526) 4.848 10.841 ( 1.236 3.251 4.233) 5.479 10.992 ( 3.232 2.529 -3.676) 5.509 11.336 ( -2.332 2.931 -4.899) 6.167 12.003 ( -3.485 -18.048 -13.179) 22.617 12.355 ( 0.805 5.841 11.549) 12.967 12.535 ( -0.440 2.942 10.758) 11.162 13.416 ( -2.035 13.970 2.312) 14.305 14.081 ( -0.040 -5.679 -3.145) 6.492======================= Grid point 66 (34/88) =======================q-point: (-0.17 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.962 ( -4.640 21.943 -0.573) 22.436 1.128 ( -7.295 17.884 8.774) 21.214 1.732 ( 0.343 7.027 1.596) 7.214 1.840 ( 0.439 5.139 2.260) 5.631 1.923 ( -8.523 10.176 8.990) 16.032 2.108 ( 7.243 3.064 3.072) 8.443 2.225 ( 1.626 0.619 -2.521) 3.064 2.266 ( 2.557 -9.953 -4.205) 11.104 2.349 ( -1.049 -0.545 -0.309) 1.222 2.536 ( 1.148 0.965 1.742) 2.299 2.569 ( -0.656 2.609 -2.592) 3.736 2.693 ( -6.876 -2.631 -2.898) 7.912 2.778 ( 2.831 -6.782 1.987) 7.614 2.904 ( -4.300 -1.126 2.306) 5.008 3.043 ( -2.954 -4.782 2.799) 6.279 3.154 ( 0.458 -3.027 3.177) 4.412 3.274 ( 3.693 0.537 -0.659) 3.790 3.372 ( 0.493 1.752 -0.918) 2.038 3.399 ( -1.201 5.053 -6.226) 8.108 3.466 ( 0.106 -0.091 -4.363) 4.365 3.517 ( 0.013 3.657 1.745) 4.052 3.566 ( -1.116 -9.804 -1.857) 10.041 3.835 ( -1.162 1.680 2.171) 2.981 3.841 ( 2.664 -2.853 6.950) 7.972 3.886 ( -0.340 -3.469 -1.955) 3.996 3.919 ( 1.125 -2.338 2.097) 3.336 4.079 ( 0.743 -1.489 -1.107) 1.999 4.135 ( 1.665 -1.449 3.969) 4.542 4.218 ( -0.311 -3.196 3.015) 4.404 4.252 ( 2.188 -1.900 1.504) 3.264 4.419 ( 2.499 2.148 1.293) 3.540 4.503 ( -0.144 4.128 -2.274) 4.715 4.563 ( 4.353 1.841 -0.650) 4.771 4.614 ( -3.756 -5.049 1.876) 6.567 4.708 ( -1.192 -1.792 -3.382) 4.009 4.763 ( -1.335 4.134 1.346) 4.548 4.872 ( 1.420 3.077 -1.329) 3.640 4.924 ( 4.264 1.297 -1.402) 4.672 5.004 ( 0.009 -2.970 -0.015) 2.970 5.122 ( -4.986 8.954 -1.534) 10.363 5.246 ( -1.214 1.936 -1.942) 2.999 5.279 ( -0.581 -1.342 2.184) 2.628 5.410 ( -1.672 2.162 -3.017) 4.071 5.534 ( -0.753 -2.440 2.882) 3.851 5.589 ( -2.144 -4.717 2.682) 5.835 5.899 ( 2.309 -4.154 -5.470) 7.246 6.097 ( -0.139 -1.032 -2.613) 2.813 6.165 ( 2.899 -0.682 -3.918) 4.921 10.045 ( 1.519 3.221 -4.575) 5.798 10.228 ( 0.188 0.947 -1.259) 1.586 10.274 ( -0.123 -0.278 0.064) 0.311 10.436 ( 0.994 -6.056 -1.893) 6.423 10.875 ( -0.150 2.691 5.046) 5.720 11.040 ( 2.565 4.555 -4.250) 6.737 11.305 ( 1.692 -0.511 -2.873) 3.374 11.843 ( -5.888 -11.331 -18.097) 22.149 12.407 ( -0.423 6.760 11.756) 13.568 12.600 ( 2.217 1.492 13.931) 14.185 13.395 ( -0.553 13.745 1.646) 13.854 14.052 ( -1.761 -6.458 -2.538) 7.159======================= Grid point 67 (35/88) =======================q-point: ( 0.00 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( 0.151 21.294 -2.506) 21.441 1.446 ( -1.704 16.796 4.750) 17.538 1.710 ( -0.979 -8.933 3.103) 9.507 1.756 ( 0.005 -16.684 -2.234) 16.832 2.044 ( 3.218 6.449 0.398) 7.218 2.109 ( -2.030 -0.575 0.866) 2.281 2.285 ( 3.843 -1.392 0.814) 4.167 2.323 ( 6.065 -1.986 -1.622) 6.585 2.395 ( 0.773 6.080 -3.296) 6.959 2.534 ( 0.285 -7.769 0.309) 7.780 2.602 ( -2.999 9.895 8.250) 13.228 2.652 ( 0.587 2.920 -1.287) 3.244 2.714 ( -0.349 2.628 -1.046) 2.850 2.826 ( -3.497 -1.586 2.991) 4.867 3.011 ( -2.335 4.958 2.365) 5.969 3.124 ( -0.926 1.094 -1.747) 2.260 3.203 ( -0.546 -7.008 -1.753) 7.245 3.249 ( 0.603 -12.486 1.616) 12.605 3.421 ( 0.198 2.055 -1.208) 2.392 3.460 ( -0.267 -0.511 -2.676) 2.737 3.519 ( 0.011 1.239 -3.023) 3.267 3.545 ( -1.332 -0.014 -1.345) 1.893 3.740 ( -2.454 -1.513 5.016) 5.786 3.781 ( -1.298 -3.536 2.393) 4.463 3.865 ( -1.945 1.027 1.554) 2.693 3.902 ( 0.065 -2.265 2.413) 3.310 4.113 ( 0.645 2.510 0.529) 2.645 4.166 ( 1.845 1.291 4.253) 4.812 4.177 ( -0.866 -3.002 1.834) 3.623 4.228 ( 1.098 -3.004 4.719) 5.701 4.477 ( -3.401 3.240 -2.144) 5.163 4.563 ( -1.192 -3.794 -0.461) 4.004 4.574 ( 3.004 4.372 -1.189) 5.437 4.650 ( 3.782 -2.379 -1.261) 4.643 4.742 ( 0.629 7.842 0.023) 7.867 4.837 ( 1.122 1.713 1.442) 2.505 4.904 ( 1.023 -3.224 -0.533) 3.425 4.920 ( -0.849 -2.214 -0.266) 2.386 5.001 ( 1.164 0.844 -1.353) 1.974 5.067 ( -3.268 -5.194 -1.837) 6.405 5.247 ( -0.666 6.140 -0.512) 6.198 5.323 ( -2.385 0.591 1.995) 3.165 5.422 ( 0.853 2.058 0.299) 2.248 5.469 ( -0.048 -2.611 1.415) 2.970 5.594 ( 1.136 6.681 -1.855) 7.026 5.784 ( 2.170 -9.648 -3.943) 10.645 6.095 ( -0.090 1.850 -3.936) 4.350 6.136 ( -0.262 -1.982 -4.807) 5.206 10.119 ( 0.691 3.274 -4.136) 5.320 10.182 ( -0.029 -2.738 -3.977) 4.828 10.308 ( 0.939 1.251 -0.116) 1.569 10.345 ( 0.089 -2.598 -0.659) 2.682 10.972 ( -0.927 6.772 0.726) 6.873 11.084 ( -0.090 -2.837 -2.701) 3.919 11.385 ( 3.693 4.715 -3.566) 6.970 11.542 ( 1.072 -9.421 -11.107) 14.604 12.564 ( -2.671 6.366 11.986) 13.832 12.651 ( -1.734 -2.351 12.331) 12.672 13.647 ( 0.470 11.098 -0.401) 11.115 13.852 ( -0.356 -9.297 -1.726) 9.463======================= Grid point 68 (36/88) =======================q-point: ( 0.17 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.396 ( 3.077 19.953 -0.433) 20.193 1.443 ( 0.479 16.505 2.680) 16.728 1.719 ( 0.864 -9.492 2.030) 9.745 1.771 ( 1.665 -16.512 -1.934) 16.708 1.994 ( -7.693 3.833 0.924) 8.645 2.083 ( -1.625 -0.557 2.172) 2.770 2.330 ( 1.521 4.999 0.723) 5.275 2.412 ( 3.919 -0.083 -0.776) 3.996 2.454 ( 3.371 0.280 -3.651) 4.977 2.537 ( 1.579 -1.712 2.419) 3.358 2.614 ( 1.531 5.860 5.476) 8.165 2.695 ( 3.311 -0.502 -0.902) 3.468 2.752 ( -1.360 -0.236 -4.775) 4.970 2.790 ( 1.693 2.123 4.026) 4.856 2.967 ( 0.414 1.625 1.328) 2.139 3.049 ( -3.298 -0.732 -1.116) 3.558 3.207 ( 1.084 -1.119 -2.046) 2.572 3.301 ( 1.629 -8.120 0.621) 8.305 3.421 ( -0.513 1.330 1.643) 2.175 3.437 ( -0.989 0.576 -0.260) 1.174 3.508 ( 2.127 0.379 -2.675) 3.438 3.563 ( 2.134 -2.881 -3.562) 5.054 3.726 ( -0.869 -2.451 5.642) 6.212 3.765 ( -1.437 -4.068 1.682) 4.630 3.816 ( -3.186 2.556 0.910) 4.185 3.882 ( -2.107 -3.478 1.488) 4.330 4.078 ( -3.456 2.213 -0.095) 4.105 4.117 ( -3.151 -1.544 2.757) 4.462 4.244 ( 1.589 -0.071 3.911) 4.222 4.263 ( -1.206 -0.914 6.306) 6.485 4.402 ( -3.459 5.462 -2.161) 6.817 4.515 ( -3.397 -4.878 1.456) 6.120 4.618 ( 1.628 2.933 1.220) 3.570 4.690 ( -0.095 -1.000 -0.064) 1.006 4.705 ( -1.359 4.190 -2.165) 4.908 4.825 ( -5.476 -5.400 1.121) 7.772 4.890 ( 0.832 2.411 -1.149) 2.797 4.947 ( 1.501 -2.809 -0.483) 3.221 5.006 ( 2.240 2.994 -0.969) 3.863 5.077 ( 3.189 -3.767 -3.351) 5.966 5.267 ( 2.618 4.048 -0.636) 4.863 5.313 ( 1.171 0.680 -0.229) 1.374 5.440 ( 0.927 2.422 -0.333) 2.615 5.488 ( 1.066 -3.317 1.670) 3.864 5.613 ( 1.347 8.166 -1.417) 8.397 5.803 ( 0.710 -8.983 -3.233) 9.574 6.078 ( 0.096 1.354 -4.171) 4.386 6.106 ( -0.689 -1.022 -4.767) 4.924 10.117 ( 0.582 2.829 -4.197) 5.095 10.175 ( 0.781 -2.766 -3.914) 4.856 10.323 ( 0.623 0.681 -0.091) 0.927 10.337 ( -0.607 -0.552 -0.518) 0.970 10.940 ( -1.900 7.243 -0.632) 7.515 11.041 ( -2.378 -1.604 -4.171) 5.062 11.472 ( 4.798 1.039 -1.527) 5.141 11.563 ( 4.445 -7.968 -7.521) 11.824 12.530 ( -4.897 6.524 11.393) 14.013 12.627 ( -4.674 -3.079 10.703) 12.078 13.668 ( 1.591 10.532 -0.005) 10.651 13.863 ( 2.059 -8.747 -2.265) 9.267======================= Grid point 69 (37/88) =======================q-point: ( 0.33 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.429 ( 0.699 17.327 3.289) 17.650 1.522 ( 5.979 14.002 -0.913) 15.252 1.759 ( 1.764 -4.438 1.168) 4.916 1.764 ( -2.403 -12.365 1.014) 12.637 1.868 ( -3.724 3.247 -0.386) 4.956 2.027 ( -3.296 -6.708 0.931) 7.532 2.343 ( -2.650 3.979 -0.195) 4.784 2.425 ( -2.570 -3.225 2.381) 4.762 2.503 ( 3.820 5.204 -2.405) 6.889 2.585 ( 2.212 3.202 -4.952) 6.298 2.625 ( -5.968 3.744 -7.261) 10.117 2.690 ( 4.575 -3.518 0.930) 5.845 2.731 ( -0.150 -2.753 4.148) 4.981 2.847 ( 1.561 -8.347 2.731) 8.920 3.061 ( 6.940 8.315 0.432) 10.839 3.120 ( 10.124 2.414 2.727) 10.759 3.224 ( 0.039 2.039 -0.047) 2.040 3.289 ( -0.295 -2.195 0.009) 2.215 3.398 ( -2.311 2.894 -1.677) 4.066 3.437 ( -0.045 1.140 3.899) 4.063 3.560 ( 1.318 -1.416 -1.683) 2.564 3.608 ( 5.301 -6.682 -0.945) 8.581 3.711 ( -2.819 -3.368 0.610) 4.434 3.730 ( -3.708 -2.461 0.962) 4.553 3.775 ( -0.768 3.494 6.214) 7.170 3.864 ( -0.307 -2.739 2.088) 3.458 4.011 ( -2.590 1.394 -0.474) 2.980 4.064 ( -3.329 -4.810 1.283) 5.989 4.201 ( -5.308 3.999 4.805) 8.201 4.264 ( -1.783 -0.359 4.809) 5.141 4.325 ( -3.639 3.936 -0.505) 5.384 4.455 ( -4.292 -6.997 4.580) 9.400 4.649 ( -1.324 1.987 -0.750) 2.503 4.651 ( 0.699 1.094 0.863) 1.559 4.713 ( -2.988 -4.583 0.648) 5.509 4.725 ( 0.772 -2.811 -2.948) 4.146 4.912 ( 1.185 2.307 -1.033) 2.792 4.946 ( -0.619 -1.205 -1.355) 1.915 5.068 ( 2.998 3.543 -0.348) 4.654 5.124 ( 2.543 -1.455 -2.537) 3.876 5.306 ( 1.429 4.688 -0.158) 4.903 5.367 ( 3.912 -0.106 -2.665) 4.735 5.461 ( 1.714 2.710 -1.731) 3.644 5.509 ( 0.728 -2.996 0.421) 3.111 5.634 ( 1.171 5.480 -1.057) 5.703 5.777 ( -2.095 -7.038 -3.247) 8.029 6.075 ( 1.057 0.712 -3.757) 3.968 6.089 ( 0.572 -0.368 -3.767) 3.828 10.113 ( 0.688 3.292 -4.542) 5.652 10.183 ( 1.436 -3.356 -3.756) 5.238 10.317 ( -1.132 1.306 0.288) 1.752 10.335 ( 0.453 -0.449 -0.664) 0.921 10.908 ( -0.840 5.933 -1.303) 6.132 10.985 ( -1.413 -1.157 -4.058) 4.449 11.520 ( 1.315 2.987 -4.333) 5.425 11.646 ( 4.842 -10.561 -1.893) 11.772 12.474 ( -4.467 6.240 10.706) 13.172 12.569 ( -4.559 -2.784 9.781) 11.144 13.697 ( 1.125 11.276 0.017) 11.331 13.902 ( 2.417 -8.974 -2.574) 9.644======================= Grid point 70 (38/88) =======================q-point: (-0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.466 ( 1.177 15.519 4.720) 16.264 1.589 ( -0.004 13.336 -3.693) 13.838 1.717 ( 0.687 -2.762 3.661) 4.637 1.789 ( -3.211 -3.134 4.472) 6.335 1.864 ( 5.091 0.066 -1.831) 5.411 2.003 ( 0.426 -8.000 -0.167) 8.013 2.241 ( -4.935 -0.398 -3.024) 5.801 2.312 ( -8.639 -6.118 -4.247) 11.406 2.510 ( -2.066 4.844 -0.753) 5.320 2.549 ( 0.268 0.211 -4.895) 4.907 2.626 ( 4.066 6.349 -8.200) 11.139 2.709 ( -1.787 -0.462 2.061) 2.767 2.810 ( 4.949 -3.723 3.717) 7.224 2.886 ( 1.014 -7.704 4.902) 9.187 3.160 ( 0.623 3.104 0.717) 3.246 3.170 ( -3.560 0.755 2.063) 4.184 3.311 ( 3.086 -0.565 -4.815) 5.747 3.328 ( 1.563 -2.948 0.114) 3.339 3.405 ( 5.628 10.026 4.138) 12.220 3.418 ( -1.993 4.785 6.699) 8.471 3.581 ( 2.344 3.358 0.050) 4.095 3.628 ( -3.539 1.899 0.778) 4.091 3.666 ( -1.263 -0.167 0.620) 1.417 3.740 ( 3.845 -8.894 0.732) 9.717 3.773 ( -1.089 1.518 4.240) 4.634 3.873 ( -0.543 -2.779 3.695) 4.655 3.988 ( 0.158 -2.512 0.380) 2.545 4.026 ( 0.303 -4.335 1.530) 4.607 4.139 ( -1.769 0.560 1.330) 2.283 4.205 ( -5.051 -4.175 3.003) 7.208 4.294 ( 0.412 4.423 1.731) 4.767 4.398 ( -1.866 -5.129 3.505) 6.486 4.622 ( -0.744 1.718 -1.420) 2.350 4.644 ( -1.057 -1.668 0.084) 1.976 4.693 ( 0.264 -0.380 0.440) 0.638 4.749 ( 0.991 -4.404 -0.564) 4.549 4.924 ( 0.559 1.224 -1.509) 2.022 4.935 ( 0.515 -0.165 -2.105) 2.173 5.088 ( -0.928 5.475 0.462) 5.573 5.156 ( 1.349 -1.236 -1.403) 2.306 5.325 ( 0.475 5.872 0.131) 5.893 5.412 ( 1.687 -0.544 -3.163) 3.626 5.486 ( 0.966 2.576 -1.832) 3.306 5.520 ( 0.483 -0.693 -0.964) 1.281 5.639 ( -0.964 0.817 -1.444) 1.919 5.725 ( -0.767 -6.347 -3.499) 7.288 6.089 ( 1.685 0.576 -3.392) 3.831 6.096 ( 1.105 -0.113 -2.822) 3.033 10.112 ( 0.963 4.102 -4.820) 6.402 10.200 ( 1.614 -4.282 -3.743) 5.912 10.295 ( -1.065 2.404 0.215) 2.638 10.338 ( 0.086 -1.762 -0.411) 1.811 10.901 ( 0.493 4.680 -0.923) 4.795 10.967 ( 0.995 -1.380 -3.465) 3.860 11.500 ( -1.387 6.410 -4.967) 8.227 11.701 ( 1.296 -13.828 -3.182) 14.248 12.451 ( -1.691 6.337 11.128) 12.917 12.538 ( -2.105 -1.991 10.344) 10.742 13.706 ( -0.222 12.310 -0.264) 12.315 13.927 ( 0.969 -9.554 -2.418) 9.903======================= Grid point 71 (39/88) =======================q-point: (-0.33 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( -2.689 19.146 2.808) 19.536 1.545 ( -2.828 14.120 -2.074) 14.549 1.751 ( -1.491 -2.819 4.654) 5.641 1.770 ( 2.443 -6.938 1.547) 7.517 1.975 ( 3.713 -1.776 3.284) 5.265 2.002 ( -0.543 -5.604 2.123) 6.017 2.139 ( -3.421 0.714 -8.894) 9.556 2.207 ( 2.785 -4.373 -6.778) 8.534 2.460 ( -3.050 3.085 0.749) 4.402 2.546 ( 0.743 -2.964 -4.402) 5.359 2.645 ( 0.199 2.846 -4.420) 5.261 2.676 ( -1.705 1.530 0.295) 2.310 2.892 ( 1.982 -0.622 6.175) 6.515 2.935 ( 2.216 -1.555 1.042) 2.901 3.057 ( -10.148 3.107 3.969) 11.330 3.102 ( -4.692 -1.521 4.524) 6.693 3.272 ( -2.740 3.134 -1.875) 4.566 3.356 ( 2.037 -3.359 -4.110) 5.685 3.413 ( -0.277 1.111 1.218) 1.672 3.480 ( -1.207 -1.861 3.636) 4.259 3.602 ( -2.470 5.376 -2.739) 6.520 3.618 ( -0.663 6.716 2.649) 7.250 3.693 ( 4.398 -0.608 4.076) 6.027 3.774 ( 4.131 -2.097 4.108) 6.192 3.820 ( 0.769 -3.377 1.234) 3.677 3.852 ( -2.041 -3.779 5.662) 7.107 4.024 ( 1.738 -1.099 -0.058) 2.058 4.062 ( 1.276 -4.181 1.375) 4.582 4.138 ( 0.231 -1.734 1.333) 2.199 4.159 ( 2.438 -3.665 -0.052) 4.402 4.354 ( 5.237 3.805 2.118) 6.811 4.428 ( 3.452 -2.669 2.884) 5.231 4.603 ( -1.045 0.919 -0.785) 1.597 4.633 ( -0.251 -2.634 -0.653) 2.726 4.680 ( -1.465 3.112 -1.210) 3.646 4.764 ( 1.261 -3.634 -0.113) 3.848 4.925 ( 0.143 1.410 -1.482) 2.050 4.942 ( 0.314 -0.651 -1.831) 1.969 5.054 ( -2.371 6.581 0.642) 7.025 5.160 ( -0.356 -3.956 -0.961) 4.087 5.321 ( -1.207 5.684 0.731) 5.857 5.418 ( 0.256 -0.368 -2.316) 2.359 5.465 ( -2.894 2.043 -0.081) 3.543 5.515 ( -1.116 -1.295 -0.733) 1.860 5.592 ( -1.660 3.320 -1.652) 4.063 5.735 ( 2.289 -8.304 -4.987) 9.953 6.104 ( 0.813 0.588 -2.849) 3.020 6.115 ( 2.123 -0.231 -3.139) 3.797 10.115 ( 1.139 4.543 -4.879) 6.763 10.212 ( 0.831 -4.736 -4.111) 6.326 10.282 ( -0.306 2.751 0.660) 2.845 10.337 ( 0.099 -2.870 -0.536) 2.922 10.921 ( 1.730 4.493 0.178) 4.817 10.997 ( 3.125 -2.319 -2.772) 4.778 11.441 ( -2.506 8.484 -5.629) 10.485 11.673 ( -1.893 -14.402 -7.241) 16.230 12.487 ( 0.703 5.942 12.281) 13.661 12.559 ( -0.002 -1.021 11.577) 11.622 13.688 ( -1.400 12.799 -0.537) 12.887 13.919 ( -0.914 -10.139 -2.037) 10.382======================= Grid point 72 (40/88) =======================q-point: (-0.17 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.406 ( -2.949 21.102 -3.350) 21.569 1.479 ( -3.721 16.427 5.144) 17.611 1.733 ( -2.199 -7.990 3.614) 9.041 1.785 ( -1.216 -13.201 -2.467) 13.484 1.986 ( 0.950 2.732 2.143) 3.600 2.055 ( 4.748 -3.962 2.225) 6.572 2.194 ( 7.306 1.841 -3.772) 8.426 2.247 ( 2.495 -1.227 -4.517) 5.305 2.409 ( -1.716 4.457 -0.286) 4.785 2.536 ( -0.092 -5.510 -4.272) 6.972 2.628 ( -0.948 1.660 -0.267) 1.930 2.656 ( -0.480 0.947 2.081) 2.336 2.827 ( -10.799 10.386 4.558) 15.661 2.905 ( -4.627 1.088 3.213) 5.737 2.994 ( 2.012 1.064 3.789) 4.420 3.085 ( 1.979 -3.752 1.911) 4.653 3.228 ( -1.081 -2.517 -2.745) 3.877 3.317 ( -5.273 -11.184 0.282) 12.368 3.415 ( 1.176 2.431 -1.819) 3.255 3.465 ( 0.141 -1.514 -3.034) 3.393 3.541 ( -2.056 5.811 -2.339) 6.593 3.595 ( -2.434 2.082 2.157) 3.862 3.763 ( -0.544 -2.219 5.073) 5.564 3.805 ( -1.826 -3.926 1.769) 4.678 3.859 ( 2.539 -0.519 3.466) 4.328 3.867 ( 0.916 -1.788 4.089) 4.556 4.060 ( 3.048 0.352 0.453) 3.102 4.089 ( 2.388 -2.197 1.220) 3.467 4.182 ( 1.602 0.112 2.525) 2.992 4.209 ( 0.891 -2.160 2.120) 3.155 4.484 ( 6.159 3.035 0.651) 6.897 4.520 ( 3.455 -1.461 0.778) 3.831 4.566 ( -1.979 -0.009 0.576) 2.061 4.610 ( -0.352 -2.552 -3.842) 4.625 4.689 ( 3.227 5.875 -1.451) 6.859 4.800 ( 2.159 -2.530 0.383) 3.348 4.920 ( -0.817 0.650 -0.047) 1.045 4.926 ( -0.630 0.051 -1.185) 1.343 5.010 ( -1.856 4.652 -0.451) 5.029 5.136 ( -2.133 -7.041 -1.023) 7.428 5.284 ( -2.500 6.411 0.232) 6.885 5.387 ( -4.808 1.681 2.435) 5.645 5.414 ( 0.107 0.562 -0.927) 1.089 5.482 ( -1.557 -2.391 0.493) 2.895 5.582 ( 0.793 5.632 -2.198) 6.098 5.759 ( 2.086 -9.345 -5.023) 10.813 6.105 ( 0.391 1.537 -3.290) 3.652 6.140 ( 1.465 -1.669 -3.894) 4.483 10.119 ( 0.964 4.172 -4.542) 6.242 10.201 ( -0.260 -3.477 -4.070) 5.359 10.290 ( 0.744 1.783 0.480) 1.991 10.341 ( 0.476 -3.459 -0.815) 3.585 10.960 ( 1.596 5.212 1.129) 5.566 11.055 ( 3.283 -3.302 -1.887) 5.025 11.380 ( -1.024 8.418 -6.038) 10.410 11.596 ( -2.126 -12.294 -10.506) 16.311 12.544 ( 0.078 5.698 12.326) 13.580 12.612 ( 0.562 -1.017 12.759) 12.811 13.657 ( -1.226 12.322 -0.630) 12.399 13.883 ( -1.821 -10.123 -1.679) 10.421======================= Grid point 91 (41/88) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.821 ( -10.906 0.000 18.185) 21.205 0.920 ( -3.454 0.000 19.277) 19.584 1.540 ( 2.612 0.000 3.658) 4.495 1.549 ( 4.531 0.000 -2.347) 5.103 1.679 ( -9.281 0.000 31.212) 32.563 2.286 ( 1.130 0.000 -4.602) 4.739 2.343 ( 8.891 0.000 2.636) 9.274 2.437 ( -1.889 0.000 -4.842) 5.197 2.540 ( -6.805 0.000 5.261) 8.602 2.560 ( 7.156 0.000 3.178) 7.830 2.655 ( 7.543 0.000 -0.914) 7.598 2.741 ( 2.365 0.000 -3.008) 3.826 2.913 ( -9.189 0.000 0.558) 9.205 2.956 ( 5.876 0.000 -8.814) 10.593 3.091 ( -2.496 0.000 -4.055) 4.761 3.159 ( -5.803 0.000 -11.029) 12.462 3.228 ( -4.698 0.000 3.669) 5.961 3.353 ( 5.480 0.000 3.070) 6.282 3.454 ( -2.851 0.000 -0.888) 2.986 3.456 ( 4.886 0.000 3.322) 5.908 3.468 ( 2.966 0.000 0.529) 3.012 3.547 ( -2.262 0.000 -1.759) 2.865 3.661 ( -2.666 0.000 -3.363) 4.292 3.947 ( -2.134 0.000 -1.330) 2.514 3.954 ( 3.330 0.000 -6.537) 7.337 4.018 ( 0.131 0.000 1.027) 1.035 4.133 ( 1.302 0.000 0.738) 1.496 4.184 ( 1.441 0.000 -2.619) 2.989 4.294 ( -8.654 0.000 5.415) 10.209 4.336 ( -1.284 0.000 -0.230) 1.305 4.375 ( 6.219 0.000 4.059) 7.427 4.404 ( 5.787 0.000 -0.061) 5.787 4.532 ( -8.002 0.000 3.930) 8.915 4.535 ( 2.105 0.000 -2.030) 2.924 4.647 ( 2.205 0.000 -2.306) 3.190 4.699 ( 1.923 0.000 2.778) 3.379 4.735 ( -3.259 0.000 -1.987) 3.817 4.904 ( 4.363 0.000 -3.905) 5.856 4.919 ( -2.135 0.000 3.896) 4.443 5.048 ( -1.169 0.000 1.351) 1.786 5.192 ( 3.310 0.000 0.285) 3.322 5.221 ( -0.211 0.000 -2.834) 2.842 5.458 ( 0.405 0.000 1.751) 1.797 5.707 ( 0.728 0.000 2.779) 2.873 5.854 ( -1.229 0.000 -2.952) 3.198 5.884 ( 4.142 0.000 -2.185) 4.683 5.978 ( -10.559 0.000 -0.838) 10.592 6.028 ( -0.504 0.000 -5.467) 5.490 9.981 ( -0.783 0.000 3.613) 3.697 10.220 ( -0.409 0.000 -2.813) 2.842 10.251 ( -0.312 0.000 2.524) 2.544 10.454 ( -5.305 0.000 -4.704) 7.090 10.865 ( 2.553 0.000 -1.505) 2.964 10.911 ( -16.090 0.000 0.677) 16.104 11.332 ( -3.228 0.000 5.810) 6.646 11.595 ( 17.345 0.000 -4.437) 17.904 12.480 ( 0.042 0.000 3.760) 3.760 12.799 ( 0.968 0.000 -5.389) 5.475 13.303 ( 3.793 0.000 12.676) 13.231 14.005 ( 0.453 0.000 -7.731) 7.744======================= Grid point 92 (42/88) =======================q-point: ( 0.17 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.794 ( 2.718 0.000 14.699) 14.948 1.006 ( 5.177 0.000 16.509) 17.302 1.500 ( -4.152 0.000 -1.459) 4.401 1.668 ( 7.470 0.000 -1.130) 7.555 1.799 ( 5.581 0.000 32.768) 33.240 2.272 ( -1.069 0.000 -5.472) 5.576 2.291 ( -10.558 0.000 4.772) 11.587 2.388 ( -3.010 0.000 0.458) 3.044 2.553 ( -14.781 0.000 2.652) 15.017 2.607 ( 10.108 0.000 -1.726) 10.255 2.709 ( 3.508 0.000 0.307) 3.521 2.782 ( 4.595 0.000 -0.850) 4.673 2.912 ( 5.343 0.000 -7.914) 9.549 2.968 ( -5.461 0.000 -7.238) 9.067 3.038 ( 0.002 0.000 -3.890) 3.890 3.056 ( 5.285 0.000 -6.704) 8.537 3.141 ( -5.003 0.000 4.119) 6.480 3.355 ( -6.093 0.000 0.329) 6.102 3.434 ( 2.057 0.000 -2.093) 2.935 3.478 ( -1.123 0.000 4.369) 4.511 3.509 ( 0.152 0.000 1.647) 1.654 3.550 ( -0.569 0.000 7.397) 7.419 3.711 ( 4.934 0.000 -3.363) 5.971 3.891 ( -0.778 0.000 -4.080) 4.154 3.970 ( -3.663 0.000 -1.409) 3.924 4.016 ( 1.329 0.000 -0.067) 1.331 4.140 ( 1.467 0.000 -4.235) 4.482 4.188 ( 1.932 0.000 -6.297) 6.587 4.205 ( -4.040 0.000 7.448) 8.473 4.318 ( 0.450 0.000 -1.031) 1.125 4.340 ( -7.801 0.000 2.198) 8.105 4.475 ( 2.534 0.000 2.856) 3.818 4.597 ( 3.446 0.000 -2.481) 4.246 4.630 ( -4.843 0.000 -2.854) 5.621 4.638 ( 10.452 0.000 -1.716) 10.592 4.664 ( 0.655 0.000 -3.138) 3.205 4.781 ( 6.705 0.000 1.426) 6.855 4.938 ( 1.673 0.000 4.344) 4.655 4.986 ( 4.714 0.000 -2.486) 5.330 5.027 ( -0.630 0.000 0.775) 0.999 5.190 ( -1.770 0.000 -3.127) 3.593 5.216 ( -1.389 0.000 2.208) 2.609 5.458 ( -1.579 0.000 -0.832) 1.784 5.695 ( -6.735 0.000 6.169) 9.133 5.798 ( -2.519 0.000 3.357) 4.197 5.812 ( -2.099 0.000 -1.966) 2.876 5.931 ( 1.078 0.000 -3.713) 3.867 6.014 ( 1.538 0.000 -4.593) 4.844 9.982 ( -0.468 0.000 3.827) 3.856 10.216 ( 1.146 0.000 -2.174) 2.457 10.247 ( -0.992 0.000 2.520) 2.708 10.334 ( -4.340 0.000 1.441) 4.573 10.761 ( -2.705 0.000 1.609) 3.147 10.902 ( 1.066 0.000 0.161) 1.078 11.296 ( -1.862 0.000 3.946) 4.363 11.867 ( 12.847 0.000 -7.586) 14.920 12.498 ( 0.295 0.000 4.018) 4.029 12.724 ( -5.244 0.000 -6.465) 8.324 13.406 ( 1.455 0.000 9.099) 9.215 13.990 ( 1.057 0.000 -8.025) 8.094======================= Grid point 93 (43/88) =======================q-point: ( 0.33 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( 11.445 0.000 8.993) 14.555 1.205 ( 9.311 0.000 10.133) 13.761 1.430 ( -2.049 0.000 -2.309) 3.087 1.786 ( 2.463 0.000 2.432) 3.462 1.921 ( -8.075 0.000 18.008) 19.735 2.174 ( -6.303 0.000 -2.485) 6.775 2.227 ( 5.217 0.000 18.238) 18.970 2.291 ( -10.312 0.000 -6.682) 12.288 2.357 ( 0.594 0.000 -3.645) 3.693 2.675 ( -4.551 0.000 -2.667) 5.275 2.766 ( 3.210 0.000 1.638) 3.604 2.801 ( -1.292 0.000 -2.271) 2.613 2.812 ( -4.910 0.000 -7.283) 8.783 3.016 ( 8.221 0.000 -6.610) 10.548 3.084 ( 0.388 0.000 3.192) 3.216 3.144 ( 4.126 0.000 -3.650) 5.509 3.176 ( 7.444 0.000 8.039) 10.956 3.234 ( -5.688 0.000 0.863) 5.753 3.405 ( -7.419 0.000 4.783) 8.827 3.481 ( -1.485 0.000 1.654) 2.223 3.528 ( 6.301 0.000 -1.402) 6.455 3.558 ( -0.380 0.000 6.291) 6.303 3.732 ( -0.954 0.000 0.549) 1.101 3.831 ( -8.261 0.000 -3.075) 8.814 3.927 ( 4.022 0.000 -4.733) 6.211 4.043 ( 0.756 0.000 1.749) 1.905 4.108 ( -4.569 0.000 2.717) 5.315 4.181 ( 0.035 0.000 0.892) 0.893 4.204 ( 1.349 0.000 -7.680) 7.797 4.266 ( -0.498 0.000 1.572) 1.649 4.351 ( 2.428 0.000 -1.563) 2.888 4.498 ( -5.601 0.000 -1.461) 5.788 4.518 ( 2.102 0.000 -1.498) 2.581 4.614 ( -0.261 0.000 -5.170) 5.176 4.730 ( 5.676 0.000 -3.336) 6.584 4.744 ( 2.970 0.000 0.460) 3.005 4.934 ( 4.009 0.000 0.908) 4.111 4.978 ( 0.578 0.000 2.477) 2.543 5.052 ( 2.248 0.000 -0.635) 2.336 5.057 ( 4.583 0.000 -5.531) 7.183 5.145 ( -1.178 0.000 -2.568) 2.825 5.182 ( -1.457 0.000 5.062) 5.267 5.357 ( -8.023 0.000 0.847) 8.067 5.612 ( -2.486 0.000 5.943) 6.442 5.765 ( -1.873 0.000 -2.094) 2.810 5.846 ( 3.847 0.000 2.227) 4.446 5.915 ( -0.283 0.000 -5.126) 5.133 6.043 ( 2.302 0.000 -3.740) 4.392 9.988 ( -0.427 0.000 4.166) 4.188 10.234 ( -1.106 0.000 2.368) 2.613 10.253 ( 2.972 0.000 -2.355) 3.792 10.304 ( 0.516 0.000 1.137) 1.248 10.751 ( 0.684 0.000 0.833) 1.078 10.897 ( -1.382 0.000 -0.378) 1.433 11.298 ( 0.359 0.000 4.837) 4.850 12.044 ( 8.649 0.000 -9.202) 12.629 12.513 ( -0.289 0.000 3.304) 3.317 12.581 ( -6.734 0.000 -5.336) 8.591 13.419 ( -3.230 0.000 10.139) 10.641 13.991 ( 1.983 0.000 -7.673) 7.925======================= Grid point 94 (44/88) =======================q-point: (-0.50 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( 3.800 0.000 7.708) 8.594 1.355 ( -0.128 0.000 3.970) 3.972 1.424 ( 2.835 0.000 -1.674) 3.292 1.730 ( -6.135 0.000 8.901) 10.811 1.784 ( -6.752 0.000 13.107) 14.744 2.082 ( -7.251 0.000 -8.574) 11.229 2.169 ( 6.123 0.000 -3.911) 7.266 2.383 ( 3.137 0.000 -1.024) 3.300 2.433 ( 1.758 0.000 15.278) 15.379 2.583 ( -3.587 0.000 -2.658) 4.464 2.633 ( -5.539 0.000 2.088) 5.919 2.760 ( -1.054 0.000 -4.371) 4.497 2.796 ( -5.706 0.000 -1.001) 5.793 3.090 ( -0.870 0.000 3.817) 3.915 3.124 ( -1.002 0.000 3.021) 3.183 3.154 ( 6.892 0.000 -3.259) 7.624 3.187 ( -0.677 0.000 -0.867) 1.100 3.340 ( 3.738 0.000 9.418) 10.132 3.380 ( 2.767 0.000 0.372) 2.791 3.465 ( 0.762 0.000 1.652) 1.820 3.551 ( -0.911 0.000 5.105) 5.186 3.606 ( -3.559 0.000 -1.356) 3.808 3.734 ( 0.688 0.000 0.120) 0.698 3.753 ( 7.396 0.000 -3.754) 8.294 3.911 ( -3.252 0.000 -3.196) 4.560 4.048 ( -0.732 0.000 -0.057) 0.734 4.094 ( 0.805 0.000 2.650) 2.769 4.152 ( -4.310 0.000 -7.287) 8.467 4.191 ( 1.194 0.000 -0.700) 1.384 4.267 ( -0.590 0.000 3.661) 3.708 4.361 ( -0.302 0.000 1.635) 1.663 4.453 ( 1.488 0.000 -5.688) 5.880 4.563 ( 3.296 0.000 -3.397) 4.733 4.586 ( -0.529 0.000 -3.820) 3.857 4.798 ( 2.843 0.000 -0.230) 2.853 4.807 ( 2.929 0.000 -3.798) 4.796 4.901 ( -6.460 0.000 2.235) 6.835 4.967 ( -2.187 0.000 0.290) 2.206 5.064 ( 0.032 0.000 -0.761) 0.761 5.086 ( -0.305 0.000 2.418) 2.437 5.145 ( 1.206 0.000 -0.125) 1.213 5.179 ( -6.904 0.000 -2.923) 7.497 5.281 ( 5.248 0.000 1.843) 5.562 5.613 ( 0.330 0.000 3.810) 3.824 5.734 ( -0.084 0.000 -2.791) 2.793 5.898 ( 0.451 0.000 -4.958) 4.979 5.937 ( 4.750 0.000 1.497) 4.980 6.065 ( 1.405 0.000 -4.249) 4.475 9.993 ( -0.701 0.000 4.301) 4.358 10.225 ( -0.605 0.000 2.168) 2.250 10.276 ( 0.463 0.000 -2.081) 2.132 10.368 ( 5.225 0.000 -1.613) 5.468 10.794 ( 3.609 0.000 1.974) 4.114 10.860 ( -1.632 0.000 -2.163) 2.709 11.332 ( 0.619 0.000 7.199) 7.226 12.102 ( 0.345 0.000 -18.421) 18.424 12.469 ( -2.494 0.000 3.056) 3.945 12.509 ( -1.154 0.000 2.374) 2.639 13.371 ( -5.487 0.000 11.512) 12.753 14.008 ( 2.276 0.000 -7.063) 7.421======================= Grid point 95 (45/88) =======================q-point: (-0.33 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( -9.147 0.000 15.382) 17.896 1.204 ( -13.508 0.000 8.531) 15.976 1.456 ( 0.362 0.000 -2.138) 2.169 1.654 ( -6.384 0.000 -0.523) 6.405 1.867 ( 9.780 0.000 9.055) 13.328 2.048 ( 7.215 0.000 -4.433) 8.468 2.215 ( -22.379 0.000 18.883) 29.281 2.310 ( 7.871 0.000 1.079) 7.945 2.453 ( 2.808 0.000 2.600) 3.827 2.524 ( -1.426 0.000 -2.605) 2.970 2.664 ( -4.128 0.000 -4.009) 5.754 2.724 ( -1.481 0.000 -4.194) 4.448 2.724 ( 7.529 0.000 0.404) 7.540 3.081 ( 0.011 0.000 -0.078) 0.078 3.166 ( 2.794 0.000 -1.739) 3.291 3.186 ( -0.219 0.000 4.989) 4.994 3.257 ( 3.974 0.000 -1.759) 4.345 3.360 ( -3.851 0.000 2.524) 4.604 3.361 ( -2.452 0.000 8.328) 8.682 3.439 ( -3.525 0.000 -8.125) 8.857 3.584 ( 0.095 0.000 6.852) 6.853 3.652 ( 5.594 0.000 1.531) 5.799 3.739 ( 2.259 0.000 -0.604) 2.338 3.836 ( -2.421 0.000 -5.232) 5.765 3.928 ( 8.063 0.000 -0.618) 8.086 4.003 ( -2.749 0.000 -4.866) 5.589 4.057 ( -0.406 0.000 -6.172) 6.185 4.113 ( 0.256 0.000 2.540) 2.553 4.206 ( 0.091 0.000 3.076) 3.077 4.286 ( 1.135 0.000 2.589) 2.827 4.357 ( -0.982 0.000 0.240) 1.011 4.485 ( 3.815 0.000 -2.651) 4.646 4.572 ( -0.159 0.000 -2.500) 2.505 4.595 ( 0.355 0.000 -2.487) 2.512 4.745 ( -8.130 0.000 0.757) 8.165 4.814 ( -0.578 0.000 -2.148) 2.225 4.867 ( 1.530 0.000 -0.243) 1.550 4.911 ( -2.572 0.000 -3.475) 4.324 4.991 ( -6.837 0.000 0.372) 6.847 5.049 ( -1.977 0.000 -0.058) 1.978 5.118 ( -0.379 0.000 4.045) 4.063 5.177 ( 2.096 0.000 0.205) 2.106 5.383 ( 4.116 0.000 -0.365) 4.132 5.644 ( 1.400 0.000 3.011) 3.320 5.748 ( 2.653 0.000 -3.389) 4.304 5.892 ( 0.464 0.000 -4.085) 4.111 6.035 ( 4.757 0.000 -0.017) 4.757 6.068 ( 0.630 0.000 -4.896) 4.936 9.991 ( -0.992 0.000 4.099) 4.217 10.228 ( 0.113 0.000 2.127) 2.130 10.267 ( -0.526 0.000 -2.220) 2.281 10.460 ( 4.831 0.000 -4.579) 6.656 10.830 ( -0.275 0.000 -3.254) 3.265 10.927 ( 9.744 0.000 3.448) 10.336 11.363 ( -0.635 0.000 8.576) 8.599 11.887 ( -14.042 0.000 -23.061) 27.000 12.490 ( -1.449 0.000 2.089) 2.543 12.533 ( 5.798 0.000 7.269) 9.299 13.300 ( -5.950 0.000 12.442) 13.792 14.022 ( 1.681 0.000 -6.799) 7.004======================= Grid point 96 (46/88) =======================q-point: (-0.17 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( -10.896 0.000 15.476) 18.927 1.008 ( -13.374 0.000 18.390) 22.739 1.472 ( 1.593 0.000 3.474) 3.822 1.540 ( -2.811 0.000 -3.154) 4.225 1.868 ( -19.642 0.000 25.287) 32.019 2.117 ( 12.042 0.000 4.999) 13.038 2.214 ( 8.949 0.000 -5.367) 10.435 2.449 ( 3.674 0.000 7.383) 8.246 2.479 ( -0.382 0.000 -2.917) 2.942 2.525 ( 4.567 0.000 -4.504) 6.415 2.613 ( -1.949 0.000 2.856) 3.458 2.696 ( 1.163 0.000 -3.547) 3.733 2.858 ( 7.156 0.000 -5.992) 9.333 3.067 ( -3.272 0.000 -2.286) 3.992 3.148 ( -3.731 0.000 -0.140) 3.734 3.231 ( 4.811 0.000 1.496) 5.038 3.252 ( -3.060 0.000 1.606) 3.456 3.327 ( -4.914 0.000 -5.105) 7.086 3.359 ( 1.911 0.000 6.776) 7.041 3.394 ( 3.467 0.000 -0.157) 3.471 3.544 ( -5.293 0.000 2.745) 5.962 3.623 ( -3.424 0.000 -5.522) 6.498 3.752 ( -3.095 0.000 -4.918) 5.811 3.904 ( 6.859 0.000 2.403) 7.268 3.951 ( -0.292 0.000 -7.738) 7.743 3.996 ( 1.347 0.000 0.768) 1.550 4.115 ( -0.532 0.000 0.987) 1.121 4.122 ( 5.907 0.000 -3.752) 6.998 4.246 ( 3.395 0.000 5.365) 6.349 4.320 ( 1.547 0.000 2.686) 3.100 4.346 ( -0.189 0.000 0.951) 0.969 4.504 ( -9.400 0.000 -1.067) 9.460 4.539 ( -0.599 0.000 -1.541) 1.654 4.580 ( 4.167 0.000 -0.523) 4.199 4.647 ( -2.494 0.000 1.672) 3.002 4.738 ( -9.149 0.000 1.943) 9.353 4.787 ( -1.542 0.000 -1.960) 2.494 4.866 ( 0.540 0.000 -5.320) 5.347 4.985 ( -4.542 0.000 1.897) 4.922 5.022 ( 4.314 0.000 -0.134) 4.316 5.132 ( 0.912 0.000 3.279) 3.404 5.215 ( 1.654 0.000 -1.598) 2.300 5.437 ( 1.495 0.000 1.210) 1.923 5.680 ( 1.171 0.000 2.629) 2.878 5.807 ( 4.471 0.000 -3.467) 5.658 5.881 ( -0.395 0.000 -2.889) 2.916 6.055 ( -0.087 0.000 -5.297) 5.298 6.090 ( 0.117 0.000 -2.963) 2.965 9.985 ( -1.034 0.000 3.750) 3.890 10.242 ( 0.299 0.000 2.333) 2.352 10.244 ( -0.864 0.000 -2.562) 2.704 10.505 ( 1.661 0.000 -6.550) 6.757 10.830 ( 1.561 0.000 -3.060) 3.435 11.178 ( 11.268 0.000 -3.472) 11.791 11.364 ( -2.367 0.000 8.005) 8.347 11.451 ( -19.035 0.000 -10.096) 21.546 12.475 ( -0.838 0.000 2.759) 2.883 12.700 ( 8.484 0.000 2.247) 8.776 13.248 ( -3.496 0.000 14.006) 14.436 14.021 ( 0.783 0.000 -7.116) 7.159======================= Grid point 97 (47/88) =======================q-point: ( 0.00 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.891 ( -2.368 3.498 18.325) 18.805 0.975 ( -7.252 10.863 16.944) 21.394 1.565 ( 4.940 5.625 -3.359) 8.205 1.680 ( -0.966 8.453 -1.481) 8.636 1.885 ( -6.100 16.565 27.251) 32.469 2.266 ( 0.368 -1.335 -0.536) 1.485 2.334 ( 7.091 -2.863 -0.037) 7.648 2.394 ( -0.790 -2.937 -3.653) 4.753 2.429 ( -1.656 -6.702 1.055) 6.984 2.503 ( 8.125 -6.608 -0.813) 10.504 2.658 ( -1.905 -1.319 1.258) 2.636 2.713 ( 4.410 -1.146 2.363) 5.132 2.839 ( -7.945 -4.787 0.579) 9.294 3.013 ( 2.981 3.157 -8.177) 9.259 3.094 ( -0.694 0.279 -2.750) 2.850 3.181 ( -4.951 -2.277 -1.174) 5.574 3.222 ( -2.659 0.452 -1.480) 3.076 3.262 ( 0.941 -5.734 -1.652) 6.041 3.393 ( -0.203 -2.084 -1.015) 2.327 3.426 ( 3.491 -3.008 4.153) 6.204 3.479 ( 0.414 1.126 1.101) 1.628 3.610 ( 0.476 -3.024 -2.641) 4.043 3.660 ( -1.797 6.609 -2.476) 7.282 3.909 ( 0.286 -1.878 -2.076) 2.814 3.991 ( 0.790 -0.830 -0.692) 1.338 4.002 ( 0.570 1.289 -1.994) 2.442 4.075 ( -0.344 -2.574 1.466) 2.983 4.195 ( -0.856 0.569 0.113) 1.034 4.303 ( -0.245 -1.647 0.670) 1.795 4.320 ( -4.669 2.641 2.304) 5.838 4.391 ( 3.425 -1.776 -0.889) 3.959 4.452 ( 0.883 3.232 3.577) 4.901 4.576 ( 2.247 4.773 0.983) 5.366 4.620 ( -1.589 4.088 -0.221) 4.391 4.711 ( 1.069 2.421 2.398) 3.572 4.736 ( 0.368 6.719 -0.550) 6.752 4.814 ( -2.108 6.022 -3.486) 7.270 4.831 ( -0.644 -6.094 4.212) 7.436 4.936 ( 4.339 3.001 -3.937) 6.583 5.050 ( -0.654 -0.882 -0.884) 1.410 5.183 ( 1.658 0.031 -0.166) 1.666 5.219 ( 0.630 -0.203 -3.865) 3.921 5.425 ( -0.782 -3.096 3.077) 4.435 5.671 ( 0.696 -3.429 2.614) 4.368 5.752 ( -5.065 -6.987 4.778) 9.864 5.856 ( 2.948 -1.582 -6.034) 6.899 6.017 ( -0.386 -0.712 -5.013) 5.078 6.035 ( -3.536 1.769 -4.578) 6.049 9.979 ( -0.076 -0.038 1.490) 1.492 10.198 ( -0.025 -1.935 -3.043) 3.606 10.266 ( -0.492 1.216 1.799) 2.227 10.427 ( -3.582 -2.327 -3.432) 5.479 10.871 ( -2.350 -0.013 -0.268) 2.365 10.901 ( -6.161 1.350 0.560) 6.332 11.401 ( -4.208 3.848 -0.401) 5.716 11.549 ( 15.317 -4.337 -4.586) 16.567 12.523 ( -1.087 4.760 7.059) 8.583 12.814 ( -0.182 1.648 -1.031) 1.952 13.353 ( 2.828 4.772 9.906) 11.353 13.991 ( -0.127 -1.723 -7.362) 7.562======================= Grid point 98 (48/88) =======================q-point: ( 0.17 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.932 ( 1.436 12.513 12.426) 17.693 1.028 ( 5.764 3.401 17.017) 18.286 1.601 ( -3.322 8.992 -2.935) 10.025 1.690 ( 5.662 3.586 -0.815) 6.752 1.982 ( 4.786 13.361 23.954) 27.843 2.233 ( -5.608 -2.052 3.111) 6.734 2.297 ( -5.765 -1.700 -1.198) 6.129 2.357 ( -3.180 -2.529 1.458) 4.317 2.457 ( -0.764 -3.447 -2.224) 4.173 2.578 ( -0.849 -5.657 -1.627) 5.947 2.659 ( 4.344 -8.196 -3.206) 9.814 2.731 ( 1.870 -0.337 0.893) 2.100 2.884 ( 7.597 -3.310 1.974) 8.519 2.936 ( -3.203 -0.249 -10.371) 10.857 3.027 ( -5.095 1.681 -3.095) 6.194 3.126 ( -2.008 -0.107 6.145) 6.466 3.203 ( 2.266 4.554 -5.758) 7.683 3.289 ( -1.039 -4.816 1.601) 5.181 3.374 ( 1.859 -2.213 -3.147) 4.273 3.471 ( 0.930 -1.829 4.540) 4.982 3.488 ( -1.252 -1.061 1.517) 2.235 3.639 ( -0.189 3.368 2.204) 4.030 3.686 ( 4.340 -0.313 -1.734) 4.684 3.890 ( -0.846 -0.004 -2.584) 2.719 3.954 ( -4.958 -1.144 -0.975) 5.181 4.012 ( 0.495 0.102 0.104) 0.516 4.077 ( 1.157 -4.074 -0.947) 4.340 4.155 ( -1.604 -0.463 0.142) 1.676 4.250 ( -2.607 2.759 1.566) 4.106 4.292 ( -1.540 -2.282 -1.196) 3.001 4.392 ( -1.297 2.785 -0.285) 3.085 4.495 ( -1.245 1.886 3.048) 3.794 4.597 ( -0.855 -1.070 -0.295) 1.401 4.634 ( 3.482 1.741 1.051) 4.032 4.723 ( 1.500 8.129 -6.290) 10.387 4.783 ( 2.804 2.791 2.334) 4.593 4.800 ( 3.606 3.614 -3.222) 6.037 4.879 ( 3.095 -2.207 2.461) 4.529 4.992 ( 1.402 -0.092 -1.214) 1.857 5.056 ( 3.052 1.950 -1.722) 4.011 5.184 ( -1.660 0.226 -0.169) 1.684 5.212 ( -0.305 -0.292 -1.893) 1.940 5.409 ( -2.214 -4.382 0.845) 4.981 5.650 ( -6.357 -4.158 7.059) 10.370 5.701 ( 1.623 -3.981 1.948) 4.720 5.852 ( -1.672 -0.185 -3.186) 3.602 5.969 ( -1.043 2.261 -4.844) 5.447 6.010 ( 1.648 -0.358 -4.140) 4.470 9.985 ( 0.136 0.211 1.249) 1.274 10.198 ( 1.436 -1.752 -2.958) 3.726 10.258 ( -1.142 1.324 2.071) 2.710 10.343 ( -3.290 0.533 0.878) 3.446 10.777 ( -2.560 1.704 1.633) 3.482 10.907 ( 0.653 0.633 -0.627) 1.104 11.343 ( -1.876 3.433 0.018) 3.912 11.809 ( 12.994 -5.792 -6.837) 15.784 12.521 ( -1.713 2.758 5.795) 6.642 12.750 ( -4.983 2.682 -1.058) 5.757 13.435 ( 1.162 3.071 8.135) 8.773 13.972 ( 1.194 -1.832 -7.519) 7.831======================= Grid point 99 (49/88) =======================q-point: ( 0.33 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 7.917 7.227 9.160) 14.100 1.240 ( 9.461 3.759 10.608) 14.703 1.511 ( -4.326 6.953 -1.405) 8.309 1.777 ( 1.071 1.616 2.191) 2.926 2.029 ( -11.330 6.691 12.650) 18.253 2.124 ( -3.356 -3.674 0.024) 4.976 2.254 ( -0.135 -1.660 -2.863) 3.312 2.312 ( 0.254 5.111 3.944) 6.461 2.391 ( 0.868 4.969 1.380) 5.229 2.556 ( -3.197 -8.071 -2.792) 9.119 2.700 ( -1.706 -6.131 -3.128) 7.091 2.761 ( 4.156 -6.551 -4.674) 9.057 2.891 ( -3.018 4.152 -3.077) 5.984 2.964 ( 4.096 -2.234 -2.856) 5.470 3.042 ( 4.804 -0.754 5.704) 7.496 3.140 ( 1.707 -0.024 6.865) 7.074 3.227 ( -2.417 1.939 3.333) 4.551 3.262 ( 2.419 3.366 -2.908) 5.063 3.437 ( -1.768 -3.532 1.864) 4.368 3.460 ( 2.729 -2.366 0.406) 3.635 3.515 ( 3.378 2.398 -0.067) 4.143 3.594 ( -4.790 4.417 6.140) 8.953 3.722 ( -1.777 -1.367 0.679) 2.342 3.815 ( -6.415 -0.380 -1.885) 6.697 3.888 ( 2.034 -2.161 -2.386) 3.808 4.034 ( 0.809 -3.925 -0.976) 4.125 4.099 ( 1.296 -1.637 -3.349) 3.947 4.134 ( -2.525 -0.269 5.935) 6.456 4.198 ( -0.174 0.359 -4.238) 4.257 4.274 ( 0.163 0.103 -0.289) 0.348 4.399 ( -1.661 1.621 2.336) 3.293 4.450 ( -0.982 -3.614 -2.354) 4.424 4.530 ( -2.698 4.588 -1.464) 5.520 4.705 ( 0.230 4.738 -4.539) 6.565 4.724 ( 3.066 1.670 -1.055) 3.647 4.847 ( 2.434 4.841 -2.128) 5.821 4.896 ( 4.764 -4.376 0.222) 6.473 4.939 ( 1.729 -0.361 1.787) 2.512 5.012 ( 2.013 -2.118 -1.336) 3.213 5.081 ( -1.825 -0.868 0.598) 2.107 5.174 ( -1.262 2.162 -3.013) 3.917 5.201 ( 3.657 3.076 0.942) 4.871 5.328 ( -5.920 -2.147 0.880) 6.358 5.594 ( -1.982 -1.549 5.226) 5.800 5.739 ( 1.601 -2.868 -2.266) 3.991 5.817 ( -0.403 -1.494 1.503) 2.157 5.943 ( 0.359 1.500 -5.969) 6.165 6.038 ( 2.105 -0.545 -3.639) 4.239 9.990 ( -0.206 -0.007 1.791) 1.803 10.233 ( 2.747 -1.916 -3.325) 4.719 10.240 ( -1.121 1.065 2.550) 2.982 10.319 ( 0.265 0.921 0.568) 1.114 10.767 ( 0.694 1.672 0.840) 1.996 10.901 ( -0.927 0.242 -0.684) 1.177 11.325 ( -0.431 2.234 1.401) 2.672 11.991 ( 8.630 -5.926 -10.043) 14.507 12.488 ( -3.432 0.169 3.260) 4.737 12.654 ( -4.395 5.423 2.835) 7.535 13.448 ( -2.739 3.149 8.993) 9.914 13.983 ( 2.545 -1.087 -7.601) 8.089======================= Grid point 100 (50/88) =======================q-point: (-0.50 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.239 ( 2.596 3.860 7.161) 8.539 1.325 ( -4.885 -1.791 6.303) 8.173 1.510 ( 4.736 8.056 0.020) 9.345 1.747 ( -2.047 2.385 9.183) 9.706 1.863 ( -7.971 6.536 9.017) 13.695 2.091 ( -5.667 0.841 -6.232) 8.465 2.149 ( 3.896 -1.335 -5.537) 6.900 2.389 ( 3.679 -0.400 -7.512) 8.374 2.471 ( -4.711 -5.105 1.206) 7.051 2.514 ( 5.916 3.099 10.064) 12.078 2.611 ( -4.959 -4.907 -2.964) 7.580 2.768 ( -1.823 0.647 -1.966) 2.758 2.852 ( -4.607 4.654 4.376) 7.876 3.044 ( 4.279 -3.724 -2.444) 6.177 3.097 ( 0.321 1.370 3.314) 3.601 3.172 ( -0.527 0.524 3.126) 3.213 3.224 ( -0.776 -1.317 3.580) 3.893 3.297 ( 3.800 6.192 1.790) 7.482 3.435 ( 1.251 -3.088 2.500) 4.166 3.507 ( 2.086 2.469 4.585) 5.609 3.517 ( -5.065 -2.443 3.549) 6.650 3.577 ( -0.758 -1.972 0.087) 2.114 3.696 ( 3.188 -0.876 -2.834) 4.355 3.764 ( 1.918 0.632 -2.695) 3.368 3.909 ( -0.510 -0.268 -0.705) 0.911 4.014 ( -0.250 -2.246 -0.110) 2.263 4.107 ( -0.278 -2.447 2.662) 3.627 4.144 ( 0.361 -1.477 -3.695) 3.996 4.187 ( 0.917 2.056 -5.009) 5.491 4.260 ( -1.961 0.850 2.003) 2.929 4.359 ( 0.100 -1.256 3.852) 4.053 4.453 ( 0.081 -3.588 -1.489) 3.885 4.513 ( 1.367 3.524 -4.864) 6.160 4.678 ( -0.505 4.317 -4.155) 6.013 4.778 ( 2.075 -1.913 0.002) 2.822 4.836 ( -2.109 0.934 -4.381) 4.951 4.913 ( -4.741 0.939 5.048) 6.988 4.957 ( 1.117 -0.600 -0.924) 1.569 5.042 ( -0.169 -1.955 -0.655) 2.068 5.079 ( 2.114 -1.507 3.088) 4.034 5.146 ( -0.246 1.821 -0.055) 1.839 5.202 ( -5.566 2.378 -2.505) 6.551 5.306 ( 5.018 2.259 -0.784) 5.558 5.592 ( -0.050 -1.729 3.286) 3.714 5.740 ( 0.597 -0.070 -4.417) 4.458 5.843 ( 1.235 -4.342 0.902) 4.604 5.954 ( 3.062 0.782 -4.106) 5.181 6.057 ( 1.240 -0.765 -4.013) 4.270 9.990 ( -0.576 -0.381 2.318) 2.419 10.225 ( -0.754 0.506 1.350) 1.627 10.271 ( 1.368 -1.163 -2.198) 2.838 10.355 ( 3.511 -0.931 -1.566) 3.956 10.809 ( 3.331 1.503 1.644) 4.007 10.875 ( -1.002 1.082 -2.166) 2.621 11.328 ( -0.443 -0.205 3.967) 3.997 12.031 ( -0.503 -7.557 -18.471) 19.964 12.451 ( -0.936 2.007 7.527) 7.846 12.611 ( -1.694 6.704 5.196) 8.650 13.407 ( -4.723 3.892 9.956) 11.687 14.008 ( 2.623 -0.438 -7.334) 7.801======================= Grid point 101 (51/88) =======================q-point: (-0.33 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( -12.337 -2.364 11.050) 16.730 1.263 ( -8.931 6.044 13.250) 17.083 1.551 ( 0.174 7.161 -3.640) 8.035 1.748 ( -3.794 8.260 -0.141) 9.091 1.887 ( 8.503 2.003 7.748) 11.677 2.050 ( 4.897 0.946 -2.135) 5.425 2.228 ( 1.398 -4.113 -1.072) 4.475 2.318 ( -7.012 1.584 6.355) 9.595 2.472 ( 1.786 -0.828 -1.529) 2.492 2.500 ( -5.228 -0.268 4.663) 7.010 2.598 ( -0.910 -2.819 0.482) 3.001 2.725 ( -1.510 2.072 -1.033) 2.765 2.780 ( 1.948 2.524 -0.315) 3.204 3.078 ( -2.193 -1.356 1.616) 3.043 3.123 ( 2.273 -3.007 -0.012) 3.770 3.200 ( 2.510 -0.672 0.013) 2.598 3.213 ( -0.396 -0.355 1.006) 1.138 3.353 ( -0.098 2.963 0.061) 2.965 3.425 ( -4.097 -0.834 -3.327) 5.343 3.433 ( -3.158 0.990 5.906) 6.770 3.525 ( -0.895 -4.947 4.047) 6.454 3.669 ( 7.394 -2.238 3.786) 8.603 3.698 ( -0.318 0.430 -4.427) 4.459 3.825 ( 1.847 0.157 -3.600) 4.049 3.928 ( 3.923 -0.370 0.534) 3.976 4.006 ( -2.818 -0.167 -0.858) 2.950 4.041 ( -1.000 -0.276 -5.716) 5.809 4.189 ( 2.854 -1.866 -1.863) 3.885 4.205 ( 1.839 3.317 1.982) 4.279 4.251 ( 0.039 1.347 5.156) 5.329 4.400 ( 0.678 3.591 2.491) 4.423 4.455 ( 2.365 -5.219 -1.926) 6.045 4.517 ( 0.399 -1.206 -3.477) 3.702 4.663 ( -0.107 3.703 -2.316) 4.369 4.739 ( -5.770 0.374 -1.806) 6.058 4.801 ( 0.283 -2.720 -0.403) 2.764 4.853 ( -2.090 1.525 2.372) 3.510 4.950 ( -1.976 -2.844 0.587) 3.512 5.019 ( -0.903 1.827 0.566) 2.115 5.059 ( -7.064 5.946 -1.234) 9.316 5.144 ( 3.369 -1.006 -0.621) 3.570 5.168 ( 0.659 2.338 -0.960) 2.612 5.385 ( 3.035 0.169 -0.143) 3.043 5.613 ( 1.089 -2.459 2.758) 3.852 5.748 ( 1.763 -0.626 -3.486) 3.956 5.852 ( 0.053 -3.950 -1.895) 4.381 6.022 ( 4.421 -1.073 -3.484) 5.730 6.059 ( 0.717 -0.764 -4.043) 4.177 9.985 ( -0.765 -0.570 2.349) 2.535 10.219 ( -0.245 -0.449 0.290) 0.588 10.274 ( -0.140 0.231 -1.042) 1.076 10.423 ( 4.074 -3.197 -4.148) 6.635 10.854 ( 0.065 2.081 -3.524) 4.093 10.919 ( 7.249 -0.387 3.336) 7.989 11.327 ( -1.664 -2.646 5.108) 5.989 11.845 ( -10.351 -4.900 -20.360) 23.360 12.494 ( 0.716 3.378 8.705) 9.365 12.635 ( 2.812 6.756 5.521) 9.167 13.347 ( -4.956 4.790 10.500) 12.560 14.025 ( 1.662 -0.391 -7.220) 7.419======================= Grid point 102 (52/88) =======================q-point: (-0.17 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( -9.363 -1.028 17.048) 19.477 1.109 ( -11.420 9.412 16.241) 21.972 1.525 ( 0.272 5.864 -3.976) 7.090 1.692 ( -1.050 10.829 -0.964) 10.923 2.012 ( -13.253 10.441 18.398) 24.963 2.116 ( 11.309 0.079 3.099) 11.726 2.251 ( 6.946 3.584 -1.749) 8.010 2.339 ( 2.069 -6.894 6.319) 9.578 2.420 ( -0.050 -8.176 -3.292) 8.814 2.478 ( -2.432 -1.128 -2.162) 3.444 2.613 ( 3.773 -1.784 1.922) 4.595 2.699 ( -1.454 0.109 -1.548) 2.127 2.890 ( 7.538 1.307 -2.427) 8.026 3.008 ( -5.985 -3.933 0.845) 7.211 3.116 ( -1.426 -2.769 -1.185) 3.333 3.217 ( 0.737 -0.283 -0.622) 1.005 3.272 ( 2.792 -0.225 -0.666) 2.879 3.317 ( -5.986 -1.745 -0.170) 6.237 3.344 ( 1.148 -0.247 0.762) 1.400 3.396 ( -2.038 -1.309 1.011) 2.625 3.499 ( -1.985 -0.404 1.016) 2.266 3.651 ( -2.198 -2.252 -3.538) 4.735 3.727 ( -2.317 2.247 -3.943) 5.095 3.898 ( 3.933 -1.809 0.113) 4.330 3.944 ( 1.360 -0.311 -3.918) 4.159 3.990 ( 1.191 0.240 1.186) 1.698 4.062 ( 2.083 -0.885 -1.313) 2.617 4.189 ( 0.264 2.513 -0.787) 2.646 4.260 ( 1.546 -0.010 4.549) 4.804 4.308 ( 2.736 0.229 2.150) 3.487 4.419 ( 1.518 3.797 1.562) 4.378 4.471 ( -4.694 -1.450 0.834) 4.984 4.516 ( 2.129 -0.461 -1.354) 2.565 4.640 ( -0.330 2.946 -1.604) 3.370 4.676 ( 0.329 2.784 1.303) 3.092 4.782 ( -3.349 4.014 1.601) 5.468 4.842 ( 0.578 -1.251 -1.636) 2.139 4.903 ( -1.865 -2.077 0.239) 2.802 4.909 ( -6.285 4.217 -1.432) 7.703 5.040 ( 1.837 1.370 -0.823) 2.435 5.167 ( -0.135 2.907 0.025) 2.910 5.199 ( 2.616 -1.092 -2.822) 4.000 5.421 ( 0.456 -1.477 2.085) 2.595 5.646 ( 1.067 -2.904 2.788) 4.165 5.778 ( 1.501 -3.328 -0.074) 3.652 5.837 ( -0.059 -3.449 -4.181) 5.421 6.040 ( 0.135 -1.381 -5.536) 5.707 6.082 ( 1.243 -0.811 -4.193) 4.448 9.979 ( -0.589 -0.438 2.006) 2.136 10.212 ( -0.316 -1.639 -1.774) 2.436 10.268 ( -0.313 1.112 0.791) 1.400 10.464 ( 1.489 -3.811 -5.561) 6.904 10.855 ( 1.432 2.204 -3.564) 4.429 11.055 ( -0.039 -6.283 3.044) 6.981 11.322 ( 3.827 -2.171 1.204) 4.562 11.558 ( -10.623 3.235 -10.971) 15.610 12.517 ( -0.883 4.875 7.301) 8.824 12.748 ( 5.699 3.877 3.360) 7.668 13.308 ( -2.422 5.686 11.078) 12.685 14.018 ( 0.330 -0.942 -7.346) 7.414======================= Grid point 103 (53/88) =======================q-point: ( 0.00 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( 0.899 13.218 12.117) 17.954 1.265 ( -5.324 16.147 11.301) 20.415 1.727 ( 4.362 8.748 -3.894) 10.523 1.846 ( -1.882 6.464 -1.120) 6.825 2.036 ( -0.567 -5.388 0.814) 5.479 2.181 ( 2.537 -7.395 -2.763) 8.292 2.260 ( -1.453 -2.117 3.197) 4.100 2.340 ( 4.982 -3.231 0.976) 6.017 2.405 ( 5.396 -2.459 -2.588) 6.470 2.496 ( -4.176 12.551 9.187) 16.105 2.567 ( -3.884 -1.303 2.573) 4.838 2.676 ( 5.263 -3.747 0.551) 6.485 2.817 ( -7.111 0.262 1.585) 7.291 2.936 ( 2.151 -9.215 4.415) 10.442 3.056 ( -0.527 -0.592 -2.169) 2.309 3.110 ( -4.588 -2.712 0.314) 5.338 3.212 ( -1.624 -1.242 -2.972) 3.607 3.303 ( 2.512 4.794 -5.725) 7.878 3.353 ( -0.654 -1.178 -1.453) 1.981 3.398 ( 2.304 0.861 2.633) 3.603 3.477 ( -1.519 -2.142 -4.261) 5.005 3.569 ( -0.595 -0.977 3.633) 3.809 3.775 ( -0.262 4.236 -2.999) 5.197 3.878 ( 0.327 -1.030 1.176) 1.597 3.954 ( 0.527 -2.249 -0.604) 2.387 4.004 ( -2.089 -3.642 4.798) 6.375 4.056 ( -0.659 2.144 -1.910) 2.946 4.222 ( 1.861 1.602 -0.739) 2.564 4.264 ( -2.289 -1.905 0.633) 3.045 4.318 ( 3.351 -4.241 2.172) 5.826 4.389 ( -2.530 3.670 -0.581) 4.495 4.554 ( 0.852 6.241 3.725) 7.317 4.595 ( -3.897 -2.777 2.026) 5.197 4.662 ( 2.196 -0.945 1.536) 2.842 4.704 ( 1.987 -1.110 2.466) 3.356 4.794 ( 0.475 3.319 1.842) 3.825 4.880 ( 1.764 4.342 -2.221) 5.186 4.945 ( -1.769 5.667 -1.611) 6.152 4.963 ( 3.271 -1.338 -2.048) 4.085 5.010 ( -0.144 -0.848 -3.889) 3.983 5.181 ( 0.093 -0.856 -1.472) 1.705 5.265 ( 0.400 4.432 -5.896) 7.387 5.375 ( -2.179 0.094 5.725) 6.127 5.598 ( -0.513 -3.156 2.779) 4.237 5.628 ( -2.801 -5.645 4.860) 7.958 5.803 ( 3.341 -4.098 -6.690) 8.527 5.993 ( 0.132 -1.199 -5.325) 5.460 6.041 ( -0.916 -0.922 -6.187) 6.322 9.990 ( 0.730 1.356 -1.663) 2.266 10.149 ( 0.165 -2.827 -4.287) 5.138 10.291 ( -0.111 1.037 0.925) 1.393 10.376 ( -0.853 -2.541 -1.648) 3.146 10.892 ( -2.727 2.550 0.423) 3.757 10.958 ( -2.090 3.461 -2.669) 4.845 11.414 ( 2.207 -2.753 -1.054) 3.682 11.445 ( 6.947 -5.019 -7.025) 11.082 12.666 ( -2.992 8.614 11.069) 14.341 12.861 ( -1.527 2.543 5.744) 6.465 13.477 ( 1.699 7.232 4.254) 8.561 13.925 ( -0.520 -4.970 -5.941) 7.763======================= Grid point 104 (54/88) =======================q-point: ( 0.17 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 5.777 11.023 12.383) 17.556 1.232 ( -1.346 16.080 9.227) 18.588 1.762 ( -3.744 4.966 -0.177) 6.222 1.827 ( 4.016 8.526 -6.320) 11.347 2.049 ( 0.774 -5.745 0.864) 5.861 2.190 ( -3.054 -5.789 7.644) 10.063 2.210 ( -2.128 -3.021 -4.555) 5.866 2.411 ( 3.170 -3.539 -2.540) 5.388 2.477 ( -0.040 1.096 -1.952) 2.238 2.487 ( -1.681 -2.502 0.200) 3.021 2.529 ( 2.869 9.767 7.531) 12.663 2.671 ( -3.221 -2.433 -2.121) 4.560 2.875 ( 8.447 -0.532 5.935) 10.337 2.918 ( -2.988 -4.493 -1.954) 5.739 3.005 ( -4.043 -0.679 0.437) 4.122 3.066 ( 0.579 -4.293 4.293) 6.099 3.193 ( 1.096 -1.013 -1.295) 1.976 3.316 ( -1.245 3.257 -0.990) 3.625 3.376 ( 4.657 1.600 -3.525) 6.056 3.435 ( -0.754 -0.856 1.108) 1.590 3.476 ( 2.342 -0.394 -0.422) 2.412 3.584 ( 1.465 -3.997 0.033) 4.257 3.756 ( -0.875 3.360 -0.312) 3.486 3.886 ( -0.406 -0.995 1.047) 1.500 3.917 ( -4.068 -3.418 0.034) 5.313 3.990 ( -0.105 -2.937 1.203) 3.175 4.040 ( -1.072 0.819 1.153) 1.775 4.203 ( -3.147 2.881 2.541) 4.966 4.237 ( -0.987 -0.115 -1.734) 1.999 4.313 ( -2.993 2.562 2.605) 4.724 4.418 ( 1.938 -2.084 2.107) 3.541 4.495 ( -5.145 1.240 -1.523) 5.507 4.598 ( 3.519 1.048 -0.382) 3.691 4.674 ( -0.154 1.000 3.233) 3.388 4.745 ( 0.034 -2.878 2.011) 3.511 4.828 ( 2.044 1.903 1.265) 3.066 4.881 ( -1.188 3.475 -5.448) 6.570 4.936 ( 2.170 3.305 -1.526) 4.238 4.964 ( -0.739 -1.665 -0.896) 2.030 5.057 ( 3.086 -2.141 -1.151) 3.928 5.197 ( 2.133 0.893 -0.835) 2.459 5.251 ( 0.561 3.138 -6.094) 6.877 5.352 ( -2.053 1.574 3.990) 4.755 5.582 ( -1.953 -2.210 3.777) 4.792 5.622 ( 0.657 -4.135 2.966) 5.131 5.818 ( 0.074 -3.198 -4.982) 5.921 5.978 ( 0.122 -0.853 -6.024) 6.085 6.006 ( 0.420 -0.258 -4.757) 4.782 9.995 ( 0.416 1.047 -1.839) 2.157 10.149 ( 1.458 -2.990 -4.116) 5.292 10.291 ( -0.214 1.501 0.445) 1.580 10.345 ( -1.664 -0.373 0.101) 1.709 10.832 ( -2.396 3.708 0.835) 4.493 10.931 ( -0.708 1.624 -2.505) 3.068 11.387 ( -0.187 0.755 -4.443) 4.511 11.649 ( 11.184 -9.324 -4.633) 15.280 12.626 ( -4.859 7.381 9.856) 13.237 12.818 ( -4.500 3.309 6.559) 8.615 13.528 ( 1.379 5.984 4.089) 7.378 13.912 ( 1.545 -4.328 -6.106) 7.642======================= Grid point 105 (55/88) =======================q-point: ( 0.33 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.263 ( 2.590 11.891 9.113) 15.204 1.359 ( 6.520 8.113 8.401) 13.376 1.653 ( -5.599 6.975 0.861) 8.986 1.862 ( -0.086 3.646 -3.275) 4.902 2.035 ( -1.442 -4.793 2.248) 5.487 2.115 ( -6.044 0.369 5.200) 7.982 2.218 ( 3.361 -0.744 -2.688) 4.367 2.353 ( -5.453 -0.016 -10.461) 11.797 2.422 ( -1.243 -3.226 -4.549) 5.713 2.512 ( -1.362 -1.984 0.964) 2.592 2.569 ( -0.728 -6.551 -2.527) 7.060 2.700 ( 6.008 8.046 7.046) 12.267 2.899 ( -1.935 -3.655 2.496) 4.830 2.930 ( 4.443 1.269 -3.401) 5.738 3.070 ( 3.419 0.687 6.362) 7.255 3.137 ( 5.769 -1.668 4.138) 7.293 3.235 ( 2.135 -2.628 -1.955) 3.910 3.312 ( 0.805 5.150 7.124) 8.827 3.376 ( -1.577 -2.296 2.540) 3.770 3.453 ( 1.205 2.079 -1.699) 2.942 3.514 ( 1.606 -2.027 -4.672) 5.340 3.617 ( 0.396 -0.094 1.081) 1.155 3.753 ( 0.456 0.577 3.300) 3.381 3.796 ( -5.889 -2.966 -0.206) 6.596 3.879 ( -2.353 1.807 -1.379) 3.272 3.965 ( -2.559 0.543 2.987) 3.971 4.047 ( 1.913 -4.200 1.223) 4.775 4.171 ( -0.355 3.254 0.862) 3.385 4.202 ( -3.493 -2.065 1.166) 4.222 4.266 ( -1.239 1.176 1.432) 2.229 4.370 ( -5.493 -2.132 2.984) 6.605 4.462 ( 1.263 3.827 -4.067) 5.725 4.631 ( -1.478 3.245 0.327) 3.581 4.701 ( -0.444 -3.420 -2.248) 4.117 4.744 ( 2.644 -1.033 2.063) 3.509 4.837 ( 0.154 -4.005 -0.540) 4.044 4.880 ( 0.428 -0.296 -0.404) 0.659 4.928 ( -0.870 -0.241 -0.515) 1.040 5.008 ( 4.040 1.500 -2.199) 4.838 5.068 ( -1.111 0.294 1.304) 1.738 5.220 ( -0.754 2.773 -1.303) 3.155 5.271 ( 3.573 2.029 -4.767) 6.293 5.330 ( -0.500 4.020 0.535) 4.086 5.562 ( -1.232 -1.488 2.729) 3.343 5.663 ( 2.652 -4.025 0.086) 4.821 5.783 ( -1.873 -2.537 -1.902) 3.682 5.960 ( 0.761 0.380 -6.751) 6.804 6.020 ( 1.885 -1.187 -4.094) 4.661 9.993 ( -0.006 0.651 -1.406) 1.550 10.172 ( 2.380 -3.823 -4.537) 6.392 10.280 ( -1.117 2.246 0.930) 2.675 10.330 ( 0.136 0.072 -0.001) 0.154 10.816 ( 0.399 3.030 0.321) 3.073 10.908 ( -0.739 0.497 -1.690) 1.910 11.369 ( -0.631 2.123 -2.986) 3.718 11.804 ( 6.561 -11.726 -8.820) 16.072 12.566 ( -4.244 7.052 9.904) 12.878 12.759 ( -3.933 4.313 8.728) 10.500 13.547 ( -1.015 6.485 4.468) 7.940 13.936 ( 3.018 -3.778 -6.552) 8.143======================= Grid point 106 (56/88) =======================q-point: (-0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( -8.886 6.460 4.342) 11.813 1.372 ( 4.170 8.463 8.935) 12.994 1.684 ( 6.502 8.247 1.934) 10.679 1.818 ( -2.342 2.924 3.781) 5.323 1.990 ( -5.200 3.917 6.931) 9.509 2.084 ( 1.769 -2.407 -2.175) 3.695 2.151 ( -5.099 1.794 -8.437) 10.020 2.334 ( -1.226 -7.245 -5.483) 9.168 2.366 ( 2.227 -1.838 -3.926) 4.873 2.441 ( -1.678 -3.230 -3.174) 4.830 2.577 ( 0.124 -4.349 -0.662) 4.401 2.772 ( -0.315 1.162 3.445) 3.649 2.922 ( 1.674 0.444 5.751) 6.006 3.042 ( 5.624 3.433 -4.450) 7.951 3.096 ( -2.929 -0.351 5.877) 6.576 3.223 ( 2.772 -0.564 -2.519) 3.788 3.252 ( -1.089 4.742 2.435) 5.440 3.340 ( 0.131 -5.237 5.830) 7.838 3.422 ( -3.111 -1.520 -0.818) 3.558 3.441 ( 3.524 5.423 6.232) 8.982 3.532 ( -4.617 1.437 2.557) 5.470 3.559 ( 1.788 1.204 2.457) 3.268 3.728 ( 1.095 -2.378 -2.328) 3.504 3.759 ( -3.031 3.214 -0.945) 4.518 3.893 ( 5.128 -3.289 1.172) 6.204 3.955 ( 0.544 -0.256 1.068) 1.226 4.077 ( -1.532 -1.435 -0.300) 2.121 4.149 ( 0.787 -4.219 -0.343) 4.306 4.171 ( -0.906 1.853 1.786) 2.728 4.265 ( -0.107 0.253 1.312) 1.341 4.316 ( -0.134 -2.528 2.962) 3.897 4.459 ( -0.201 3.536 -2.588) 4.387 4.578 ( -3.120 1.663 -0.117) 3.537 4.691 ( 0.471 -3.113 -0.111) 3.150 4.754 ( -2.355 -0.222 -0.569) 2.433 4.826 ( -1.217 -2.564 -2.600) 3.849 4.904 ( 0.112 -2.558 2.669) 3.699 4.916 ( 0.497 -1.855 1.000) 2.166 5.031 ( -2.061 2.212 2.208) 3.744 5.083 ( 3.224 1.657 -2.971) 4.687 5.215 ( 1.386 4.184 -1.000) 4.519 5.266 ( -1.762 3.682 -3.611) 5.450 5.363 ( 2.888 3.253 -2.546) 5.041 5.554 ( -0.394 -1.907 1.941) 2.749 5.706 ( 2.397 -3.685 -5.840) 7.310 5.749 ( -1.620 -4.360 3.372) 5.745 5.967 ( 2.506 0.631 -6.640) 7.125 6.037 ( 1.247 -1.183 -4.162) 4.503 9.987 ( -0.138 0.518 -0.945) 1.086 10.197 ( 1.675 -4.391 -5.428) 7.179 10.267 ( -0.432 1.848 1.810) 2.623 10.342 ( 1.092 -0.518 -0.998) 1.568 10.846 ( 2.449 1.986 0.889) 3.276 10.896 ( 0.399 1.037 -2.304) 2.558 11.337 ( -1.922 1.543 -0.629) 2.543 11.818 ( -0.966 -12.466 -13.698) 18.546 12.560 ( -0.354 7.830 12.276) 14.565 12.736 ( -1.828 4.982 9.357) 10.757 13.526 ( -2.678 7.664 4.654) 9.358 13.969 ( 2.560 -3.796 -6.655) 8.078======================= Grid point 107 (57/88) =======================q-point: (-0.33 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.178 ( -9.557 9.536 6.819) 15.125 1.426 ( -3.479 9.878 10.896) 15.113 1.717 ( -1.174 8.877 -2.535) 9.306 1.886 ( 2.911 2.794 2.198) 4.595 1.952 ( 2.073 3.722 3.341) 5.414 2.074 ( 2.171 0.475 -0.456) 2.268 2.138 ( 2.508 -3.896 -4.811) 6.679 2.227 ( -4.729 -8.271 -0.120) 9.528 2.405 ( 0.314 -1.213 -4.163) 4.347 2.474 ( 4.525 -1.248 -3.618) 5.927 2.573 ( 0.374 -5.864 0.288) 5.883 2.778 ( -0.330 -0.800 5.398) 5.466 2.897 ( -8.555 12.058 9.590) 17.623 3.028 ( -4.078 -1.770 2.973) 5.348 3.084 ( 0.483 -0.959 -1.431) 1.789 3.173 ( -0.365 -3.292 -5.288) 6.240 3.286 ( 0.538 6.802 -2.219) 7.175 3.325 ( -4.440 -7.032 4.522) 9.467 3.374 ( -1.375 -0.844 -0.146) 1.620 3.432 ( -1.313 0.654 -0.836) 1.688 3.552 ( 1.338 6.033 5.479) 8.259 3.598 ( -1.029 -2.820 2.071) 3.647 3.756 ( 4.241 4.094 0.707) 5.937 3.781 ( 3.732 -4.330 -4.537) 7.298 3.945 ( 1.056 1.629 3.413) 3.927 3.982 ( -2.538 -2.124 0.463) 3.342 4.035 ( 1.677 -0.713 -3.062) 3.564 4.174 ( 1.747 -3.237 -0.555) 3.720 4.200 ( 2.564 0.099 3.320) 4.196 4.292 ( -0.529 -1.554 3.787) 4.127 4.347 ( 4.170 -2.254 -0.340) 4.752 4.482 ( 3.489 3.682 0.309) 5.082 4.518 ( -2.774 2.051 0.661) 3.513 4.687 ( -3.172 -2.729 -0.173) 4.188 4.708 ( 0.145 -2.153 -0.913) 2.343 4.807 ( 0.376 1.974 -1.063) 2.273 4.867 ( -3.373 -1.764 2.181) 4.387 4.913 ( -2.103 2.058 2.652) 3.961 5.013 ( -0.257 -0.723 0.542) 0.939 5.135 ( 3.146 0.352 -3.076) 4.414 5.193 ( -4.230 5.818 -4.113) 8.286 5.253 ( 2.285 5.052 -2.325) 6.013 5.394 ( 0.929 1.125 -0.807) 1.668 5.562 ( 0.489 -2.481 2.112) 3.295 5.707 ( -0.881 -3.629 -0.642) 3.789 5.745 ( 0.750 -6.146 -2.277) 6.597 6.002 ( 2.977 -0.688 -6.833) 7.485 6.042 ( 1.174 -0.922 -4.208) 4.465 9.982 ( 0.020 0.718 -0.871) 1.129 10.192 ( -0.079 -3.176 -4.849) 5.797 10.277 ( 0.540 0.550 1.253) 1.471 10.362 ( 1.554 -2.321 -1.981) 3.424 10.889 ( 1.154 1.227 -1.345) 2.156 10.934 ( 4.605 1.677 -0.319) 4.911 11.294 ( -2.550 0.025 1.218) 2.826 11.693 ( -5.839 -9.507 -14.457) 18.262 12.618 ( 0.892 7.859 12.593) 14.871 12.759 ( 0.998 5.101 8.832) 10.248 13.485 ( -3.028 8.557 4.631) 10.190 13.981 ( 1.012 -4.359 -6.578) 7.956======================= Grid point 108 (58/88) =======================q-point: (-0.17 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( -5.286 12.478 10.032) 16.860 1.348 ( -7.295 13.576 12.068) 19.574 1.690 ( 0.616 9.729 -4.034) 10.550 1.877 ( -1.384 4.803 -0.032) 4.998 2.056 ( 0.384 -4.860 1.349) 5.058 2.121 ( 4.835 -1.549 -5.639) 7.588 2.206 ( 4.628 -3.524 3.742) 6.917 2.222 ( 4.655 -6.593 1.213) 8.162 2.373 ( -1.474 2.430 -0.944) 2.995 2.544 ( 2.826 -0.667 0.919) 3.045 2.570 ( -1.751 -2.522 0.910) 3.202 2.702 ( -8.886 8.884 8.691) 15.278 2.856 ( 2.969 -3.695 4.951) 6.854 2.951 ( -5.474 -1.591 0.654) 5.738 3.065 ( -1.140 -1.791 -0.346) 2.152 3.178 ( -0.483 -6.734 -4.452) 8.086 3.244 ( -1.137 -3.275 -0.258) 3.476 3.291 ( 0.174 6.004 -3.103) 6.761 3.354 ( -0.500 0.698 -0.694) 1.104 3.398 ( -1.799 1.104 -0.607) 2.196 3.542 ( -2.776 -1.351 -1.350) 3.369 3.578 ( -1.576 0.162 4.578) 4.844 3.788 ( 0.067 0.833 -4.435) 4.513 3.857 ( 3.111 0.359 -0.244) 3.141 3.937 ( 0.304 -0.460 -1.322) 1.432 4.002 ( 0.919 -0.216 4.528) 4.625 4.056 ( 1.377 -0.091 -0.748) 1.570 4.188 ( 0.494 -3.357 2.160) 4.022 4.263 ( 0.427 0.079 -0.030) 0.435 4.294 ( 1.425 -2.305 1.309) 3.009 4.415 ( 0.716 -1.279 -0.206) 1.480 4.506 ( 2.223 7.019 4.173) 8.463 4.575 ( 3.595 2.360 0.384) 4.318 4.650 ( 0.364 -2.183 1.106) 2.474 4.681 ( -2.377 -4.332 1.048) 5.051 4.805 ( -2.407 1.644 2.800) 4.042 4.846 ( 2.544 2.887 -1.169) 4.021 4.904 ( 1.315 2.982 -0.576) 3.310 4.997 ( -1.664 -3.177 -0.757) 3.665 5.077 ( -5.146 7.684 -3.317) 9.825 5.177 ( 1.693 -1.301 -2.930) 3.626 5.272 ( 0.978 5.980 -4.602) 7.608 5.394 ( -1.294 -0.347 3.290) 3.552 5.585 ( 0.703 -2.891 2.671) 3.999 5.673 ( -3.166 -6.333 4.578) 8.432 5.762 ( 2.947 -4.527 -7.306) 9.087 6.009 ( 0.501 -1.325 -5.929) 6.096 6.058 ( 1.574 -1.478 -5.835) 6.222 9.983 ( 0.442 1.143 -1.177) 1.699 10.169 ( -0.449 -2.863 -4.504) 5.356 10.288 ( 0.107 0.787 1.163) 1.408 10.382 ( 1.063 -3.678 -2.593) 4.624 10.903 ( 1.108 2.412 -2.766) 3.834 11.007 ( 0.460 0.626 0.977) 1.249 11.280 ( 2.937 -1.564 0.375) 3.348 11.529 ( -5.354 -5.008 -10.834) 13.081 12.662 ( -0.928 8.572 11.675) 14.513 12.827 ( 2.128 3.557 7.474) 8.546 13.456 ( -1.298 8.617 4.557) 9.834 13.961 ( -0.542 -4.978 -6.320) 8.063======================= Grid point 109 (59/88) =======================q-point: ( 0.00 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( 0.888 17.355 4.544) 17.962 1.570 ( -3.180 12.053 6.545) 14.079 1.732 ( 0.265 -12.492 1.520) 12.587 1.801 ( -1.146 -5.726 4.843) 7.586 2.026 ( 0.907 5.070 -3.725) 6.357 2.095 ( 1.037 -1.834 -4.268) 4.760 2.266 ( 3.461 2.027 -3.241) 5.156 2.281 ( 4.452 -1.354 -0.763) 4.715 2.334 ( -0.566 -1.014 -0.175) 1.175 2.471 ( 2.319 -7.493 -4.952) 9.276 2.602 ( 3.855 0.261 -2.215) 4.453 2.682 ( -2.234 -6.697 -1.629) 7.245 2.836 ( -5.012 9.790 8.922) 14.162 2.924 ( -1.325 -0.063 6.073) 6.216 3.079 ( -2.701 1.300 0.957) 3.147 3.098 ( -5.296 3.869 1.535) 6.736 3.176 ( 1.874 1.560 3.041) 3.898 3.321 ( -0.822 -3.665 1.857) 4.190 3.381 ( 2.683 1.856 -4.572) 5.617 3.411 ( 2.034 -2.142 -1.518) 3.321 3.452 ( -1.277 2.586 -1.883) 3.444 3.526 ( -2.287 -4.088 2.539) 5.328 3.814 ( -0.823 0.901 2.220) 2.533 3.873 ( -3.349 -4.710 3.241) 6.626 3.890 ( -1.904 2.139 1.658) 3.309 3.940 ( -1.345 -2.572 2.057) 3.558 4.117 ( -0.035 3.748 -0.423) 3.772 4.196 ( 1.298 -3.807 0.111) 4.024 4.254 ( 1.677 1.214 0.255) 2.086 4.283 ( 3.914 -0.489 0.514) 3.977 4.453 ( -1.986 2.394 -0.880) 3.232 4.502 ( -0.626 -2.911 0.136) 2.980 4.617 ( 1.442 0.159 3.107) 3.429 4.665 ( 1.520 -3.420 2.613) 4.565 4.756 ( 0.880 8.601 1.634) 8.799 4.854 ( -0.494 2.207 0.475) 2.311 4.889 ( 1.866 -3.766 -0.745) 4.268 4.908 ( -1.391 -1.842 -1.209) 2.605 4.969 ( 1.768 1.697 -1.611) 2.932 5.023 ( -4.079 -2.909 -2.406) 5.558 5.233 ( -0.015 5.545 -0.888) 5.616 5.307 ( -1.544 -0.835 -3.239) 3.684 5.458 ( -0.037 5.983 2.930) 6.662 5.531 ( -0.922 -3.471 4.262) 5.573 5.566 ( 0.742 1.123 -0.073) 1.348 5.683 ( 3.393 -7.644 -5.437) 9.975 5.986 ( 0.243 0.661 -6.396) 6.434 6.012 ( 0.076 -1.656 -6.973) 7.167 10.032 ( 0.783 2.716 -3.670) 4.632 10.090 ( 0.439 -2.952 -4.575) 5.463 10.307 ( 0.271 0.779 0.086) 0.829 10.332 ( 0.306 -1.797 -0.619) 1.925 10.962 ( -1.265 3.782 -1.852) 4.397 11.006 ( -1.623 0.308 -4.077) 4.398 11.344 ( 5.954 -1.867 -1.056) 6.328 11.366 ( 1.415 -3.254 -5.122) 6.231 12.822 ( -3.295 6.053 12.009) 13.846 12.888 ( -2.503 -0.524 10.244) 10.559 13.633 ( 0.891 8.229 -0.749) 8.311 13.796 ( -0.006 -7.658 -3.876) 8.583======================= Grid point 110 (60/88) =======================q-point: ( 0.17 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( 3.781 14.810 5.665) 16.301 1.538 ( -1.996 13.314 5.365) 14.492 1.751 ( 0.777 -10.177 2.544) 10.519 1.802 ( -0.828 -7.980 4.069) 8.995 1.983 ( -3.797 2.408 -2.658) 5.223 2.086 ( -1.722 -5.486 -4.550) 7.332 2.280 ( 2.184 9.444 -2.982) 10.142 2.347 ( 3.227 -1.402 -4.511) 5.721 2.386 ( 4.735 -2.199 -1.726) 5.499 2.471 ( -0.680 -2.730 -6.221) 6.827 2.626 ( -2.836 -0.659 -3.599) 4.630 2.691 ( 3.963 -9.370 -0.205) 10.176 2.809 ( -1.562 8.256 8.442) 11.911 2.942 ( -0.335 -4.893 7.640) 9.079 3.016 ( -0.832 5.006 3.016) 5.903 3.036 ( -0.191 1.518 0.365) 1.573 3.210 ( 1.279 5.431 2.306) 6.038 3.342 ( 0.444 -3.193 1.538) 3.572 3.421 ( 0.159 2.073 -1.646) 2.651 3.440 ( 2.909 3.098 0.470) 4.275 3.451 ( 1.504 -2.224 -4.526) 5.262 3.527 ( 2.187 -2.977 4.463) 5.794 3.791 ( -2.216 -0.500 0.013) 2.272 3.811 ( -4.106 -3.460 1.914) 5.701 3.880 ( 0.386 -0.004 4.705) 4.721 3.924 ( -0.777 -3.349 2.960) 4.537 4.071 ( -3.509 2.795 -0.603) 4.527 4.145 ( -3.291 -4.025 -0.126) 5.201 4.338 ( 2.539 1.168 2.256) 3.592 4.371 ( -0.199 -1.755 2.009) 2.675 4.377 ( -1.705 8.062 2.546) 8.625 4.504 ( 0.990 -2.675 -4.112) 5.005 4.650 ( 0.384 0.031 3.372) 3.394 4.669 ( -2.496 0.464 0.665) 2.624 4.715 ( -2.287 3.067 1.958) 4.298 4.835 ( -6.073 -5.571 -0.093) 8.242 4.872 ( 1.768 2.377 -0.426) 2.992 4.927 ( 1.119 -2.789 -1.571) 3.391 4.983 ( 1.643 1.629 -1.051) 2.541 5.011 ( 2.709 -1.633 -2.858) 4.263 5.251 ( 2.135 3.131 -0.871) 3.889 5.281 ( 0.366 0.285 -3.126) 3.160 5.451 ( -1.226 5.155 1.350) 5.468 5.530 ( -0.657 -3.724 1.784) 4.181 5.595 ( 1.868 3.505 0.832) 4.058 5.718 ( 1.528 -6.690 -4.160) 8.025 5.971 ( 0.657 0.406 -6.239) 6.287 5.990 ( 0.465 -1.193 -6.393) 6.520 10.031 ( 0.421 2.425 -3.602) 4.363 10.087 ( 0.890 -3.071 -4.389) 5.431 10.313 ( 0.341 0.851 -0.412) 1.005 10.331 ( -0.226 -0.946 -0.398) 1.050 10.912 ( -2.379 3.691 -1.702) 4.710 10.953 ( -2.040 -0.105 -3.593) 4.133 11.399 ( 3.154 1.439 -3.963) 5.266 11.478 ( 7.362 -6.777 -2.848) 10.403 12.775 ( -5.522 6.355 11.550) 14.293 12.849 ( -4.883 -0.818 10.625) 11.722 13.662 ( 1.923 7.099 -0.572) 7.377 13.801 ( 1.920 -6.536 -3.901) 7.850======================= Grid point 111 (61/88) =======================q-point: ( 0.33 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 1.591 13.513 5.987) 14.865 1.560 ( 2.853 11.677 4.011) 12.672 1.770 ( 0.066 -2.704 1.229) 2.971 1.791 ( -0.912 -6.961 0.415) 7.033 1.906 ( -2.431 -3.543 3.961) 5.844 2.014 ( -3.160 -7.648 -2.729) 8.714 2.313 ( 0.388 6.627 -2.473) 7.084 2.367 ( -4.759 2.187 -10.084) 11.363 2.399 ( 2.045 -1.463 -4.805) 5.423 2.449 ( 0.187 -5.124 -4.462) 6.796 2.532 ( -3.025 6.893 -0.336) 7.535 2.718 ( 0.206 -8.340 0.753) 8.376 2.858 ( 2.542 2.488 7.093) 7.935 2.970 ( 1.422 -7.769 7.012) 10.561 3.067 ( 4.546 6.934 -0.537) 8.309 3.122 ( 5.456 -0.053 -1.094) 5.565 3.267 ( 4.208 5.490 1.291) 7.037 3.338 ( -0.214 -1.238 3.832) 4.033 3.369 ( -4.285 0.845 0.082) 4.368 3.459 ( 2.846 -4.301 -5.579) 7.597 3.542 ( 4.832 6.168 4.489) 9.030 3.625 ( 5.258 -1.126 3.472) 6.401 3.721 ( -4.554 -0.932 -0.270) 4.657 3.740 ( -3.431 -1.874 0.757) 3.982 3.909 ( -1.366 0.586 1.855) 2.377 3.945 ( 2.016 -4.197 7.139) 8.523 4.010 ( -2.097 2.444 1.379) 3.503 4.088 ( -2.818 -5.900 0.977) 6.611 4.274 ( -5.126 4.361 2.317) 7.117 4.330 ( -3.575 -0.040 2.021) 4.107 4.379 ( -3.973 6.793 3.894) 8.780 4.510 ( 0.256 -1.990 -2.490) 3.197 4.636 ( -1.969 -1.146 4.135) 4.721 4.650 ( -0.607 -1.379 -2.402) 2.835 4.699 ( 0.184 -1.021 2.583) 2.784 4.741 ( -2.126 -4.232 1.716) 5.037 4.891 ( 0.134 1.418 -1.398) 1.995 4.920 ( -1.042 -0.942 -0.911) 1.674 5.036 ( 3.951 1.341 -2.682) 4.960 5.062 ( 3.617 -1.127 -3.560) 5.199 5.279 ( 1.040 2.790 -2.309) 3.768 5.305 ( 2.692 0.684 -3.485) 4.456 5.434 ( -0.416 5.105 -0.512) 5.147 5.519 ( -0.684 -3.403 0.129) 3.474 5.627 ( 0.892 1.723 0.865) 2.125 5.707 ( -1.202 -4.779 -2.060) 5.341 5.969 ( 1.600 0.802 -6.573) 6.813 5.993 ( 1.881 -1.428 -5.620) 6.096 10.025 ( 0.369 2.583 -3.551) 4.406 10.092 ( 1.264 -3.924 -4.715) 6.263 10.313 ( -0.323 0.988 -0.306) 1.084 10.325 ( 0.054 -0.393 -0.365) 0.539 10.878 ( -0.478 2.761 -1.361) 3.115 10.912 ( -0.868 -0.524 -2.497) 2.695 11.430 ( 1.123 4.757 -3.912) 6.260 11.577 ( 3.788 -9.901 -5.318) 11.860 12.717 ( -4.219 6.698 12.156) 14.507 12.798 ( -4.086 -0.978 11.659) 12.393 13.690 ( 1.041 7.470 -0.598) 7.566 13.832 ( 2.492 -6.418 -4.223) 8.077======================= Grid point 112 (62/88) =======================q-point: (-0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( -4.274 12.053 0.073) 12.789 1.594 ( 2.383 13.502 7.241) 15.506 1.768 ( -1.274 -7.974 0.240) 8.079 1.828 ( 6.422 3.363 -1.051) 7.325 1.916 ( -1.228 -8.891 7.729) 11.844 1.991 ( 2.754 -5.945 -0.445) 6.568 2.193 ( -7.793 1.932 -5.460) 9.709 2.215 ( -8.429 -1.349 -0.841) 8.578 2.423 ( 1.774 0.095 -6.136) 6.388 2.440 ( 2.502 0.338 -6.943) 7.388 2.529 ( 0.008 7.227 0.035) 7.227 2.723 ( -0.141 -7.354 -0.043) 7.356 2.930 ( 2.496 2.025 6.463) 7.218 3.017 ( -0.153 -5.563 7.542) 9.373 3.113 ( 1.116 2.309 -6.411) 6.904 3.179 ( 0.019 -3.225 -0.776) 3.317 3.282 ( -2.297 0.789 2.788) 3.698 3.332 ( 0.044 -2.350 -0.472) 2.398 3.417 ( 5.750 7.463 -2.311) 9.700 3.543 ( 7.354 -1.336 -0.578) 7.497 3.583 ( -4.144 4.407 2.724) 6.634 3.636 ( -3.705 2.223 1.382) 4.536 3.690 ( 0.230 1.847 2.321) 2.975 3.781 ( 7.504 -5.716 3.671) 10.122 3.851 ( -3.430 5.683 3.198) 7.368 3.986 ( -0.458 2.181 3.806) 4.410 4.016 ( -1.540 -7.917 3.786) 8.910 4.043 ( 0.349 -2.348 0.112) 2.376 4.192 ( -4.346 1.591 3.859) 6.025 4.256 ( -4.438 -3.620 2.593) 6.287 4.348 ( 0.994 6.849 2.043) 7.216 4.473 ( -2.050 -4.050 1.831) 4.895 4.609 ( -1.105 2.371 1.784) 3.166 4.642 ( -0.186 -1.430 0.753) 1.627 4.718 ( -0.606 -1.457 1.883) 2.457 4.749 ( 0.906 -3.666 0.712) 3.843 4.882 ( 0.633 0.276 -2.283) 2.385 4.898 ( -0.499 -0.701 -1.195) 1.473 5.088 ( 1.165 2.474 -1.794) 3.271 5.110 ( 2.429 0.450 -3.037) 3.915 5.294 ( 1.716 3.274 -3.274) 4.938 5.323 ( 0.608 0.955 -5.014) 5.140 5.435 ( 0.825 4.063 -1.931) 4.573 5.510 ( -0.115 -2.937 -0.332) 2.958 5.635 ( 0.029 -1.480 -0.389) 1.531 5.668 ( -2.418 -3.751 0.828) 4.539 5.984 ( 2.262 1.148 -6.791) 7.250 6.011 ( 1.805 -1.396 -5.544) 5.995 10.021 ( 0.564 2.931 -3.569) 4.653 10.100 ( 1.360 -4.755 -5.259) 7.219 10.303 ( -0.552 1.521 0.357) 1.657 10.327 ( 0.178 -0.955 -0.575) 1.129 10.884 ( 1.384 1.719 -0.619) 2.292 10.907 ( 1.272 -0.298 -2.078) 2.455 11.409 ( -1.768 5.987 -3.589) 7.200 11.578 ( -1.060 -10.698 -7.682) 13.213 12.713 ( -0.939 6.377 13.198) 14.688 12.785 ( -1.635 -0.488 12.181) 12.299 13.694 ( -0.440 8.664 -0.816) 8.713 13.856 ( 1.421 -7.219 -4.461) 8.605======================= Grid point 113 (63/88) =======================q-point: (-0.33 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( -4.962 15.855 -0.106) 16.613 1.645 ( -1.192 10.688 7.411) 13.061 1.749 ( -0.435 -9.047 -1.014) 9.115 1.889 ( -3.252 -8.340 5.184) 10.344 1.956 ( 4.878 5.942 -5.370) 9.378 2.074 ( 2.259 -1.435 -0.061) 2.677 2.084 ( 1.502 -0.659 4.017) 4.339 2.099 ( -2.198 -3.267 1.185) 4.112 2.424 ( 0.429 -0.919 -6.872) 6.946 2.445 ( -0.417 -4.151 -2.892) 5.076 2.532 ( 1.502 9.097 -2.652) 9.595 2.711 ( -0.911 -6.576 0.697) 6.675 3.005 ( 3.298 -0.285 3.731) 4.988 3.011 ( -2.391 -0.369 4.365) 4.990 3.095 ( -0.639 -0.785 -3.419) 3.565 3.108 ( -5.813 -1.284 -0.585) 5.982 3.267 ( -2.555 2.128 2.633) 4.242 3.325 ( 1.050 -3.021 0.326) 3.215 3.439 ( -5.006 6.359 2.849) 8.579 3.511 ( -0.661 7.396 -3.817) 8.349 3.533 ( -5.646 -2.698 1.633) 6.467 3.665 ( -0.984 -4.880 -2.736) 5.680 3.728 ( 5.546 7.121 3.235) 9.588 3.845 ( 2.520 1.836 1.962) 3.684 3.912 ( 1.489 -2.300 6.016) 6.610 3.962 ( -2.428 -1.849 3.424) 4.587 4.023 ( 2.819 0.475 -0.006) 2.859 4.074 ( 1.245 -4.523 0.300) 4.701 4.167 ( 1.386 -1.705 2.351) 3.218 4.203 ( -0.767 -4.947 3.228) 5.956 4.407 ( 3.320 5.548 1.609) 6.663 4.495 ( 2.502 -2.495 2.845) 4.537 4.607 ( 0.466 3.848 2.367) 4.542 4.638 ( -0.784 -1.643 1.454) 2.330 4.669 ( -3.982 1.291 0.281) 4.195 4.767 ( 0.782 -5.250 1.006) 5.403 4.884 ( 1.114 2.053 -1.933) 3.032 4.918 ( 1.409 -0.969 -0.342) 1.743 5.064 ( -2.714 4.069 -0.644) 4.933 5.125 ( 0.098 -1.607 -2.551) 3.016 5.296 ( -0.962 3.953 -4.538) 6.095 5.327 ( 2.435 1.629 -5.090) 5.873 5.441 ( 0.239 3.627 -1.115) 3.802 5.513 ( 0.404 -2.729 0.510) 2.805 5.620 ( -3.198 -3.280 3.894) 6.012 5.635 ( 0.663 -4.330 -3.435) 5.567 6.001 ( 1.862 0.650 -7.041) 7.312 6.021 ( 1.521 -1.132 -5.960) 6.255 10.022 ( 0.870 3.225 -3.655) 4.952 10.104 ( 1.041 -4.754 -5.516) 7.356 10.298 ( -0.133 1.339 0.669) 1.502 10.327 ( 0.008 -1.518 -0.488) 1.595 10.919 ( 2.294 1.808 -0.839) 3.039 10.948 ( 3.602 -0.645 -1.885) 4.116 11.348 ( -3.075 5.466 -2.700) 6.827 11.499 ( -3.654 -9.171 -8.153) 12.803 12.762 ( 0.603 5.550 13.203) 14.335 12.817 ( 0.281 0.232 11.853) 11.858 13.670 ( -1.483 9.588 -0.968) 9.750 13.852 ( -0.169 -8.166 -4.457) 9.305======================= Grid point 114 (64/88) =======================q-point: (-0.17 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.378 ( -2.438 17.699 2.096) 17.989 1.613 ( -3.740 10.283 6.789) 12.877 1.734 ( -0.662 -11.574 -0.308) 11.597 1.827 ( -3.325 -4.012 3.376) 6.209 1.999 ( 2.012 3.754 -0.876) 4.349 2.092 ( 1.413 -2.871 -4.197) 5.278 2.166 ( 4.917 0.824 1.930) 5.346 2.185 ( 5.787 -0.274 2.262) 6.220 2.379 ( -2.195 -1.380 -4.328) 5.045 2.442 ( 1.238 -6.851 -2.039) 7.255 2.560 ( 2.199 5.880 -3.484) 7.180 2.705 ( -0.075 -7.406 0.626) 7.433 2.948 ( -6.470 3.041 1.263) 7.260 2.969 ( -5.821 1.931 3.940) 7.290 3.083 ( 1.507 -1.294 -0.975) 2.213 3.103 ( 2.691 3.170 5.850) 7.177 3.195 ( -5.062 4.287 2.784) 7.194 3.365 ( 2.062 -1.214 -2.056) 3.155 3.370 ( -2.112 0.443 -1.414) 2.581 3.410 ( -5.015 -5.308 2.490) 7.715 3.486 ( -1.769 5.447 -2.268) 6.160 3.594 ( -4.347 -3.084 -0.899) 5.405 3.807 ( 1.111 3.727 2.354) 4.546 3.897 ( 0.844 -0.961 1.347) 1.858 3.919 ( -1.273 -0.317 0.877) 1.578 3.952 ( -1.287 -2.881 5.520) 6.358 4.068 ( 3.490 1.372 0.488) 3.782 4.111 ( 3.414 -3.065 0.157) 4.591 4.235 ( 1.852 -1.193 1.583) 2.712 4.245 ( 3.003 -2.027 0.516) 3.660 4.454 ( 1.441 3.396 -2.065) 4.228 4.530 ( -0.757 -4.627 1.041) 4.803 4.604 ( -1.877 0.020 2.874) 3.433 4.622 ( 0.516 -0.964 3.573) 3.737 4.680 ( 4.349 7.119 1.885) 8.553 4.805 ( 3.090 -4.383 0.295) 5.371 4.907 ( 0.716 2.245 -0.577) 2.427 4.922 ( -0.684 0.554 0.354) 0.948 4.993 ( -3.593 3.824 -1.593) 5.483 5.098 ( -2.061 -5.217 -2.790) 6.265 5.255 ( -1.363 7.112 -3.175) 7.907 5.340 ( 0.239 -0.335 -4.599) 4.617 5.443 ( 0.109 5.139 2.068) 5.541 5.528 ( 0.334 -3.224 2.767) 4.262 5.575 ( -2.351 -1.535 2.777) 3.949 5.646 ( 2.147 -6.688 -5.270) 8.781 6.001 ( 0.762 0.622 -6.724) 6.796 6.026 ( 1.161 -1.612 -6.860) 7.142 10.027 ( 1.026 3.171 -3.709) 4.986 10.100 ( 0.494 -3.790 -5.145) 6.409 10.301 ( 0.195 0.792 0.542) 0.979 10.327 ( 0.261 -1.884 -0.546) 1.979 10.959 ( 1.985 3.155 -1.906) 4.187 11.011 ( 2.745 -1.382 -2.404) 3.902 11.294 ( -0.683 3.477 -1.723) 3.940 11.403 ( -2.809 -6.686 -6.677) 9.858 12.813 ( -0.477 5.582 12.587) 13.778 12.868 ( 0.299 0.018 11.000) 11.004 13.639 ( -1.073 9.505 -0.930) 9.610 13.823 ( -1.004 -8.465 -4.191) 9.499======================= Grid point 133 (65/88) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( -9.502 0.000 11.967) 15.280 1.213 ( 1.121 0.000 7.119) 7.206 1.489 ( 4.548 0.000 -2.197) 5.051 1.513 ( -0.836 0.000 -2.590) 2.722 2.207 ( -1.104 0.000 -1.602) 1.946 2.232 ( 5.929 0.000 4.163) 7.245 2.364 ( -5.012 0.000 15.644) 16.427 2.419 ( 0.782 0.000 4.371) 4.440 2.518 ( 5.454 0.000 -5.130) 7.488 2.651 ( 5.108 0.000 -0.412) 5.124 2.661 ( -7.715 0.000 2.329) 8.059 2.746 ( 0.563 0.000 -9.760) 9.777 2.841 ( 0.166 0.000 3.492) 3.496 2.889 ( 4.646 0.000 4.511) 6.475 2.984 ( -4.860 0.000 -6.715) 8.289 3.023 ( -5.704 0.000 -4.477) 7.252 3.275 ( -3.094 0.000 1.183) 3.312 3.338 ( 5.265 0.000 -3.820) 6.505 3.452 ( -5.520 0.000 1.290) 5.668 3.480 ( 0.927 0.000 0.780) 1.212 3.482 ( 1.972 0.000 -1.973) 2.790 3.499 ( 5.376 0.000 -0.421) 5.392 3.695 ( -3.120 0.000 4.283) 5.299 3.796 ( 4.172 0.000 -6.813) 7.989 3.938 ( -3.506 0.000 1.769) 3.927 4.005 ( 0.929 0.000 -2.805) 2.955 4.138 ( -2.996 0.000 -0.144) 3.000 4.144 ( 3.478 0.000 -1.281) 3.706 4.344 ( -4.376 0.000 0.864) 4.460 4.366 ( 6.566 0.000 -1.245) 6.683 4.405 ( -4.333 0.000 5.337) 6.875 4.489 ( 1.843 0.000 -2.754) 3.314 4.490 ( 1.440 0.000 4.396) 4.626 4.575 ( 0.306 0.000 -4.400) 4.410 4.623 ( -4.295 0.000 4.675) 6.348 4.695 ( -1.392 0.000 -2.230) 2.629 4.754 ( 0.717 0.000 2.622) 2.718 4.818 ( 4.019 0.000 -4.023) 5.687 4.993 ( -0.135 0.000 2.882) 2.885 5.037 ( -0.348 0.000 -1.667) 1.703 5.185 ( -1.511 0.000 -0.644) 1.642 5.189 ( 2.393 0.000 -0.610) 2.470 5.554 ( -1.483 0.000 7.126) 7.279 5.715 ( 2.205 0.000 -8.220) 8.510 5.776 ( 0.715 0.000 3.927) 3.992 5.856 ( 0.382 0.000 -3.248) 3.271 5.957 ( 1.445 0.000 -0.970) 1.741 5.961 ( -5.279 0.000 -0.743) 5.331 10.063 ( -0.764 0.000 4.365) 4.431 10.150 ( 0.235 0.000 -4.048) 4.055 10.308 ( -0.130 0.000 3.040) 3.043 10.373 ( -1.078 0.000 -3.490) 3.652 10.860 ( 4.741 0.000 0.965) 4.838 10.893 ( -8.639 0.000 -1.839) 8.833 11.437 ( -6.476 0.000 4.497) 7.884 11.517 ( 11.298 0.000 -3.609) 11.860 12.569 ( 0.740 0.000 5.059) 5.113 12.681 ( -0.951 0.000 -5.895) 5.971 13.568 ( 0.523 0.000 13.044) 13.054 13.814 ( 0.347 0.000 -10.994) 11.000======================= Grid point 134 (66/88) =======================q-point: ( 0.17 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( -0.703 0.000 11.645) 11.666 1.276 ( 2.432 0.000 8.741) 9.073 1.475 ( -2.094 0.000 -0.437) 2.139 1.625 ( 9.822 0.000 -3.259) 10.349 2.124 ( -5.311 0.000 -6.624) 8.490 2.221 ( -4.720 0.000 -5.573) 7.303 2.393 ( -2.200 0.000 19.578) 19.701 2.520 ( -8.160 0.000 -6.310) 10.315 2.527 ( -2.360 0.000 8.499) 8.821 2.551 ( 7.865 0.000 0.342) 7.873 2.677 ( -1.216 0.000 -6.829) 6.937 2.743 ( 4.551 0.000 -1.494) 4.790 2.833 ( -6.597 0.000 -6.333) 9.145 2.850 ( 1.112 0.000 4.329) 4.470 3.006 ( 5.214 0.000 2.430) 5.753 3.042 ( 6.928 0.000 1.899) 7.184 3.206 ( -2.557 0.000 -0.874) 2.703 3.335 ( -3.167 0.000 -1.361) 3.447 3.403 ( 0.737 0.000 1.371) 1.557 3.526 ( 2.168 0.000 -0.174) 2.175 3.584 ( 1.363 0.000 5.059) 5.240 3.611 ( 8.715 0.000 -4.450) 9.785 3.683 ( 2.317 0.000 1.088) 2.560 3.825 ( -0.236 0.000 -9.075) 9.078 3.864 ( -5.720 0.000 4.098) 7.037 4.004 ( 0.135 0.000 -1.306) 1.313 4.064 ( -2.028 0.000 -2.839) 3.489 4.146 ( -2.214 0.000 -0.236) 2.227 4.296 ( 0.256 0.000 -0.876) 0.912 4.354 ( -3.699 0.000 5.861) 6.931 4.378 ( -4.997 0.000 2.089) 5.416 4.520 ( 0.971 0.000 -3.121) 3.269 4.532 ( -0.766 0.000 2.559) 2.671 4.559 ( -0.207 0.000 -5.096) 5.101 4.641 ( -1.579 0.000 0.601) 1.690 4.642 ( 6.550 0.000 2.038) 6.860 4.807 ( 3.832 0.000 0.548) 3.871 4.914 ( 6.594 0.000 -4.583) 8.031 5.009 ( 0.236 0.000 1.870) 1.885 5.022 ( -0.316 0.000 -0.685) 0.754 5.148 ( -1.896 0.000 -0.489) 1.958 5.223 ( 0.957 0.000 -1.158) 1.503 5.523 ( -4.223 0.000 6.526) 7.773 5.701 ( -0.415 0.000 -8.099) 8.110 5.791 ( -1.985 0.000 3.720) 4.217 5.840 ( -0.295 0.000 -4.836) 4.845 5.867 ( -2.601 0.000 3.571) 4.418 5.987 ( 1.257 0.000 1.243) 1.768 10.071 ( -0.159 0.000 4.866) 4.869 10.155 ( 1.711 0.000 -3.753) 4.124 10.306 ( -1.195 0.000 3.343) 3.550 10.331 ( -1.902 0.000 -1.337) 2.324 10.776 ( -3.139 0.000 0.261) 3.149 10.941 ( 1.270 0.000 3.677) 3.890 11.354 ( -1.865 0.000 1.814) 2.602 11.704 ( 9.525 0.000 -8.458) 12.738 12.590 ( -0.604 0.000 4.773) 4.811 12.613 ( -3.577 0.000 -4.455) 5.714 13.623 ( 0.041 0.000 11.465) 11.465 13.792 ( 1.773 0.000 -11.399) 11.536======================= Grid point 135 (67/88) =======================q-point: ( 0.33 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( 8.427 0.000 8.739) 12.140 1.361 ( 3.301 0.000 4.673) 5.721 1.444 ( -1.645 0.000 4.595) 4.881 1.823 ( 11.319 0.000 -2.692) 11.635 1.966 ( -7.731 0.000 -9.192) 12.011 2.107 ( -5.503 0.000 -1.185) 5.629 2.257 ( -14.213 0.000 -0.972) 14.246 2.287 ( -7.338 0.000 0.841) 7.386 2.616 ( 3.058 0.000 7.694) 8.280 2.620 ( -2.635 0.000 -2.101) 3.370 2.698 ( -4.091 0.000 -2.654) 4.877 2.755 ( 10.597 0.000 6.505) 12.435 2.782 ( -2.020 0.000 0.122) 2.024 2.940 ( 6.879 0.000 -1.013) 6.953 3.123 ( 5.615 0.000 0.758) 5.666 3.168 ( 3.000 0.000 4.698) 5.574 3.249 ( -4.950 0.000 1.221) 5.098 3.262 ( 9.969 0.000 -5.962) 11.616 3.475 ( 5.353 0.000 3.174) 6.223 3.546 ( -0.177 0.000 1.734) 1.743 3.573 ( -6.165 0.000 10.591) 12.255 3.681 ( -1.037 0.000 2.462) 2.672 3.710 ( -6.798 0.000 -7.407) 10.054 3.745 ( -1.803 0.000 1.044) 2.084 3.795 ( 4.324 0.000 -4.750) 6.423 4.001 ( 0.397 0.000 -6.711) 6.723 4.043 ( -0.296 0.000 -4.223) 4.234 4.102 ( -1.986 0.000 -0.896) 2.179 4.280 ( -2.465 0.000 3.207) 4.045 4.315 ( 1.389 0.000 -1.443) 2.003 4.347 ( -0.840 0.000 6.539) 6.592 4.478 ( -3.593 0.000 0.018) 3.593 4.495 ( -2.157 0.000 -0.229) 2.169 4.526 ( -0.668 0.000 -4.629) 4.677 4.685 ( 4.248 0.000 -0.381) 4.265 4.748 ( 2.923 0.000 0.146) 2.927 4.926 ( 8.250 0.000 -2.354) 8.579 5.000 ( 0.576 0.000 -1.808) 1.897 5.008 ( -1.691 0.000 0.735) 1.844 5.029 ( 4.419 0.000 -1.395) 4.634 5.109 ( -2.077 0.000 0.291) 2.097 5.211 ( -1.898 0.000 -1.179) 2.234 5.453 ( -4.810 0.000 8.053) 9.380 5.654 ( -1.038 0.000 -8.156) 8.221 5.736 ( -3.567 0.000 5.549) 6.597 5.818 ( -0.085 0.000 -4.699) 4.699 5.896 ( 2.575 0.000 2.897) 3.876 6.004 ( 0.127 0.000 -0.129) 0.181 10.087 ( -0.297 0.000 5.423) 5.431 10.183 ( 2.470 0.000 -4.380) 5.028 10.290 ( -1.578 0.000 3.083) 3.464 10.306 ( -0.114 0.000 -0.944) 0.951 10.760 ( 1.050 0.000 0.453) 1.144 10.912 ( -4.292 0.000 1.590) 4.577 11.397 ( 3.977 0.000 5.460) 6.755 11.799 ( 3.746 0.000 -13.085) 13.611 12.541 ( -2.169 0.000 -0.378) 2.201 12.579 ( -1.785 0.000 2.878) 3.386 13.640 ( -2.545 0.000 11.179) 11.465 13.803 ( 3.318 0.000 -10.822) 11.319======================= Grid point 136 (68/88) =======================q-point: (-0.50 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( 6.080 0.000 1.659) 6.302 1.394 ( -2.113 0.000 0.219) 2.124 1.461 ( 1.546 0.000 13.274) 13.364 1.766 ( -7.769 0.000 -12.883) 15.044 1.989 ( -1.077 0.000 8.044) 8.116 1.999 ( -6.315 0.000 7.730) 9.982 2.109 ( 6.696 0.000 -3.446) 7.531 2.200 ( 1.016 0.000 -10.786) 10.834 2.575 ( -1.582 0.000 0.861) 1.801 2.603 ( -0.775 0.000 -1.957) 2.104 2.711 ( -4.229 0.000 0.916) 4.327 2.728 ( 2.215 0.000 3.694) 4.307 2.927 ( 1.227 0.000 10.344) 10.417 3.069 ( 6.739 0.000 -5.206) 8.516 3.145 ( -6.662 0.000 5.955) 8.936 3.184 ( -3.279 0.000 4.221) 5.345 3.221 ( 3.368 0.000 1.146) 3.557 3.373 ( -1.705 0.000 -10.369) 10.508 3.452 ( -4.852 0.000 5.987) 7.706 3.554 ( 3.379 0.000 7.718) 8.425 3.577 ( 2.744 0.000 -0.932) 2.898 3.676 ( -1.212 0.000 1.694) 2.083 3.678 ( 8.178 0.000 -1.167) 8.261 3.745 ( 0.597 0.000 5.804) 5.835 3.779 ( -3.339 0.000 -8.594) 9.220 3.951 ( -2.819 0.000 -10.637) 11.004 4.050 ( -2.998 0.000 -0.807) 3.105 4.060 ( 3.330 0.000 -1.901) 3.834 4.270 ( -0.717 0.000 4.020) 4.083 4.324 ( 0.137 0.000 -2.384) 2.388 4.376 ( 0.527 0.000 6.438) 6.460 4.431 ( -0.589 0.000 0.925) 1.096 4.486 ( 2.242 0.000 -3.472) 4.133 4.506 ( 0.335 0.000 -4.599) 4.611 4.753 ( 2.461 0.000 -0.941) 2.635 4.768 ( -0.548 0.000 -1.839) 1.919 4.959 ( -3.254 0.000 2.641) 4.191 4.980 ( -2.853 0.000 0.559) 2.907 5.044 ( -1.358 0.000 -0.882) 1.619 5.062 ( 5.798 0.000 -2.756) 6.420 5.131 ( -5.817 0.000 -0.470) 5.836 5.133 ( 3.828 0.000 -0.598) 3.874 5.430 ( -0.577 0.000 9.453) 9.471 5.616 ( 0.493 0.000 -8.300) 8.314 5.710 ( -1.202 0.000 5.304) 5.438 5.810 ( 1.063 0.000 -4.345) 4.474 5.962 ( 3.219 0.000 1.095) 3.400 5.993 ( -0.568 0.000 -2.439) 2.504 10.094 ( -1.063 0.000 5.523) 5.625 10.204 ( 1.201 0.000 -4.934) 5.078 10.273 ( -1.007 0.000 2.465) 2.663 10.322 ( 2.305 0.000 -2.427) 3.347 10.817 ( 4.684 0.000 0.626) 4.726 10.830 ( -3.599 0.000 -0.887) 3.706 11.499 ( 2.855 0.000 9.649) 10.062 11.744 ( -4.159 0.000 -15.047) 15.611 12.542 ( 1.802 0.000 2.224) 2.862 12.549 ( -1.870 0.000 1.217) 2.232 13.611 ( -4.539 0.000 11.794) 12.637 13.834 ( 3.426 0.000 -10.007) 10.578======================= Grid point 137 (69/88) =======================q-point: (-0.33 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( -6.876 0.000 -0.578) 6.900 1.411 ( -1.749 0.000 -1.023) 2.026 1.530 ( -3.142 0.000 17.881) 18.155 1.592 ( -6.396 0.000 -6.930) 9.430 1.977 ( 3.208 0.000 0.102) 3.209 2.021 ( 4.569 0.000 3.252) 5.608 2.252 ( 6.204 0.000 -2.607) 6.729 2.311 ( 10.860 0.000 -0.823) 10.891 2.568 ( -0.601 0.000 6.088) 6.117 2.613 ( 0.248 0.000 -1.179) 1.205 2.649 ( -1.572 0.000 -2.391) 2.862 2.721 ( -4.524 0.000 7.022) 8.353 2.856 ( -9.212 0.000 15.374) 17.922 3.054 ( -6.250 0.000 -7.874) 10.053 3.095 ( 2.382 0.000 -1.614) 2.877 3.160 ( 1.815 0.000 -5.947) 6.218 3.237 ( -2.994 0.000 -1.120) 3.197 3.291 ( -0.465 0.000 -3.657) 3.687 3.471 ( 1.327 0.000 7.595) 7.710 3.545 ( -4.202 0.000 9.475) 10.365 3.593 ( -4.813 0.000 -5.860) 7.583 3.707 ( 1.788 0.000 3.593) 4.013 3.708 ( -0.662 0.000 -5.831) 5.869 3.820 ( -1.975 0.000 -10.009) 10.202 3.838 ( 5.874 0.000 8.060) 9.973 3.863 ( 7.665 0.000 -5.935) 9.694 4.001 ( -0.944 0.000 -0.331) 1.001 4.109 ( 1.786 0.000 -0.992) 2.043 4.276 ( -0.091 0.000 2.886) 2.888 4.322 ( 1.430 0.000 -2.125) 2.561 4.403 ( 0.131 0.000 7.057) 7.058 4.461 ( 2.878 0.000 -2.848) 4.049 4.514 ( 2.257 0.000 -2.331) 3.245 4.523 ( 1.579 0.000 -3.889) 4.197 4.712 ( -3.771 0.000 -2.399) 4.470 4.765 ( -0.698 0.000 -1.887) 2.012 4.883 ( -6.162 0.000 0.910) 6.229 4.923 ( -3.316 0.000 4.293) 5.425 5.006 ( -4.235 0.000 1.032) 4.359 5.035 ( -0.176 0.000 -1.252) 1.265 5.137 ( 2.325 0.000 -1.342) 2.684 5.188 ( 1.586 0.000 0.840) 1.794 5.478 ( 1.589 0.000 8.260) 8.411 5.624 ( 3.361 0.000 -8.070) 8.742 5.721 ( 0.358 0.000 4.542) 4.556 5.825 ( 1.760 0.000 -3.330) 3.766 5.970 ( -0.469 0.000 -4.435) 4.460 6.019 ( 2.418 0.000 -1.157) 2.681 10.085 ( -1.686 0.000 5.003) 5.279 10.195 ( -0.163 0.000 -4.840) 4.842 10.273 ( 0.173 0.000 2.108) 2.115 10.363 ( 2.723 0.000 -4.315) 5.103 10.780 ( -0.922 0.000 -1.661) 1.900 10.944 ( 8.156 0.000 -1.018) 8.219 11.552 ( -9.939 0.000 -10.933) 14.775 11.556 ( -1.005 0.000 10.728) 10.775 12.527 ( -0.680 0.000 1.324) 1.489 12.609 ( 4.017 0.000 0.576) 4.058 13.561 ( -4.763 0.000 12.829) 13.685 13.854 ( 2.169 0.000 -9.673) 9.914======================= Grid point 138 (70/88) =======================q-point: (-0.17 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( -1.883 0.000 1.593) 2.467 1.303 ( -9.944 0.000 7.611) 12.523 1.482 ( -2.898 0.000 -1.573) 3.297 1.523 ( -0.955 0.000 4.707) 4.803 2.085 ( 7.422 0.000 -1.329) 7.540 2.149 ( 6.562 0.000 0.046) 6.563 2.357 ( 0.757 0.000 11.935) 11.959 2.466 ( 4.028 0.000 -0.789) 4.105 2.496 ( -8.770 0.000 8.032) 11.892 2.566 ( 0.863 0.000 1.331) 1.586 2.678 ( 4.277 0.000 3.404) 5.467 2.762 ( -0.878 0.000 -2.174) 2.345 2.770 ( 1.454 0.000 10.367) 10.469 2.914 ( -3.759 0.000 -13.740) 14.245 3.106 ( -5.272 0.000 -4.163) 6.717 3.130 ( -1.415 0.000 -9.159) 9.268 3.212 ( 6.610 0.000 -2.705) 7.142 3.302 ( -0.268 0.000 2.038) 2.056 3.464 ( -1.792 0.000 0.606) 1.892 3.484 ( -3.854 0.000 6.175) 7.279 3.514 ( -2.552 0.000 -2.202) 3.371 3.607 ( -9.161 0.000 2.945) 9.623 3.711 ( 0.676 0.000 1.565) 1.705 3.770 ( 0.916 0.000 -8.446) 8.495 3.958 ( 2.248 0.000 2.810) 3.599 3.987 ( 2.919 0.000 -3.967) 4.925 4.041 ( 6.411 0.000 -1.940) 6.698 4.134 ( 1.684 0.000 0.867) 1.894 4.287 ( 1.108 0.000 0.483) 1.209 4.366 ( 2.085 0.000 0.767) 2.222 4.440 ( 1.229 0.000 6.553) 6.667 4.484 ( 0.976 0.000 -4.361) 4.468 4.489 ( -4.251 0.000 0.116) 4.253 4.569 ( 2.279 0.000 -1.080) 2.522 4.656 ( -0.847 0.000 -0.501) 0.984 4.714 ( -1.790 0.000 -4.643) 4.976 4.807 ( -1.437 0.000 -0.298) 1.467 4.812 ( -7.253 0.000 4.914) 8.760 5.010 ( -1.934 0.000 0.624) 2.032 5.019 ( 2.393 0.000 0.091) 2.395 5.159 ( 0.868 0.000 -0.534) 1.020 5.203 ( -0.191 0.000 0.393) 0.437 5.532 ( 0.785 0.000 7.589) 7.629 5.676 ( 4.426 0.000 -7.879) 9.037 5.748 ( 0.675 0.000 4.101) 4.156 5.847 ( 1.303 0.000 -1.813) 2.232 5.950 ( 0.342 0.000 -4.768) 4.780 6.031 ( -0.907 0.000 -2.699) 2.848 10.070 ( -1.517 0.000 4.408) 4.661 10.170 ( -0.537 0.000 -4.575) 4.607 10.291 ( 0.687 0.000 2.408) 2.504 10.387 ( 1.282 0.000 -4.834) 5.002 10.788 ( 2.364 0.000 -1.187) 2.646 11.048 ( -0.662 0.000 -6.755) 6.787 11.377 ( -0.739 0.000 -0.912) 1.174 11.531 ( -5.049 0.000 8.504) 9.890 12.536 ( 0.761 0.000 3.295) 3.382 12.677 ( 2.980 0.000 -3.415) 4.532 13.535 ( -2.457 0.000 13.809) 14.026 13.845 ( 0.643 0.000 -10.090) 10.111======================= Grid point 139 (71/88) =======================q-point: ( 0.00 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.203 ( -4.979 5.870 12.160) 14.391 1.294 ( -2.322 7.978 10.103) 13.081 1.477 ( 3.327 1.983 -2.074) 4.393 1.604 ( 0.688 6.391 -6.850) 9.394 2.137 ( 0.463 -3.981 0.011) 4.008 2.183 ( 2.684 -6.232 -5.883) 8.980 2.392 ( 0.566 -2.305 4.102) 4.739 2.467 ( 6.605 -4.260 -2.367) 8.209 2.513 ( -3.663 8.645 14.676) 17.423 2.559 ( -2.858 -2.823 8.420) 9.329 2.619 ( 0.072 -3.364 -1.748) 3.792 2.807 ( -0.393 2.770 -4.390) 5.206 2.845 ( -2.009 -3.943 -2.146) 4.919 2.857 ( -0.605 -0.577 2.175) 2.330 3.022 ( -1.219 5.403 -2.004) 5.891 3.071 ( -0.899 3.824 -6.758) 7.816 3.244 ( 1.080 -5.600 0.925) 5.778 3.270 ( -1.289 -3.831 0.922) 4.146 3.385 ( -1.472 -2.541 1.025) 3.110 3.438 ( 1.261 -2.365 -3.452) 4.370 3.498 ( 3.829 -0.579 2.612) 4.671 3.562 ( -0.848 3.783 -4.181) 5.702 3.688 ( -1.386 -0.388 5.589) 5.771 3.813 ( 3.497 1.322 -6.616) 7.599 3.943 ( -4.059 0.713 0.054) 4.122 3.976 ( 2.190 -1.667 -1.993) 3.398 4.113 ( -0.182 -0.947 2.341) 2.532 4.171 ( 0.332 0.634 -3.036) 3.119 4.320 ( -4.563 -1.888 1.901) 5.291 4.357 ( 5.871 -1.335 -1.591) 6.227 4.435 ( -5.856 3.059 6.454) 9.236 4.517 ( 1.090 3.281 0.523) 3.496 4.564 ( 3.521 4.811 0.653) 5.997 4.630 ( 0.110 5.028 -2.237) 5.504 4.719 ( -0.500 6.318 -0.892) 6.400 4.733 ( -3.334 3.681 -0.688) 5.014 4.772 ( -0.801 2.418 1.795) 3.116 4.827 ( 4.439 1.016 -3.325) 5.638 4.949 ( 0.487 -3.569 3.693) 5.159 5.012 ( -0.619 -2.552 -2.537) 3.651 5.168 ( 0.353 -1.116 -0.779) 1.406 5.172 ( 0.599 -1.251 -0.968) 1.691 5.535 ( -1.913 -1.747 7.201) 7.653 5.685 ( 1.068 -2.677 -5.947) 6.609 5.757 ( 2.329 -1.870 1.829) 3.503 5.808 ( -1.458 -4.062 -0.558) 4.352 5.937 ( -0.299 -1.562 -1.502) 2.188 5.962 ( -1.571 -0.748 -2.796) 3.293 10.037 ( -0.674 -2.213 3.846) 4.488 10.121 ( 0.415 -2.616 -4.220) 4.982 10.312 ( -0.350 0.323 2.517) 2.562 10.365 ( -0.501 -0.740 -2.774) 2.914 10.866 ( 3.679 0.623 0.716) 3.800 10.894 ( -6.922 0.420 -1.563) 7.109 11.420 ( -5.294 -1.806 2.461) 6.111 11.482 ( 10.060 -3.281 -3.122) 11.033 12.651 ( -0.655 7.719 5.746) 9.645 12.755 ( -0.319 6.737 -4.325) 8.012 13.579 ( 0.377 0.945 11.804) 11.848 13.808 ( 0.237 -0.756 -10.482) 10.512======================= Grid point 140 (72/88) =======================q-point: ( 0.17 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( -0.727 9.515 10.455) 14.155 1.331 ( 1.700 5.407 10.260) 11.721 1.528 ( 0.786 4.320 -2.630) 5.118 1.648 ( 7.158 3.057 -3.511) 8.539 2.080 ( -3.904 -3.504 -6.769) 8.564 2.189 ( -0.851 -3.592 -4.280) 5.652 2.404 ( -2.848 -4.946 -0.863) 5.772 2.459 ( -8.523 -1.197 2.351) 8.922 2.518 ( -3.551 -2.164 -1.178) 4.322 2.565 ( 2.745 1.930 10.936) 11.439 2.596 ( 2.060 -4.344 3.545) 5.973 2.740 ( -2.717 -1.091 -1.049) 3.110 2.800 ( 1.602 0.575 0.871) 1.912 2.940 ( -0.331 4.678 -3.153) 5.651 3.010 ( 6.067 0.388 4.876) 7.793 3.117 ( 3.595 4.371 -2.133) 6.048 3.202 ( 1.335 1.698 -2.065) 2.989 3.312 ( -2.897 -3.696 2.216) 5.193 3.338 ( 2.166 -3.923 1.327) 4.673 3.500 ( 2.004 -2.042 -0.217) 2.869 3.569 ( 1.475 -2.260 4.103) 4.911 3.610 ( 7.917 0.715 -6.878) 10.512 3.685 ( -0.391 -0.691 2.490) 2.614 3.827 ( -0.996 1.148 -8.243) 8.382 3.873 ( -2.335 0.700 2.040) 3.179 4.006 ( 0.864 0.129 -0.610) 1.065 4.044 ( -4.044 -0.963 -0.725) 4.220 4.185 ( -1.416 3.267 0.628) 3.616 4.277 ( 0.464 -1.915 -0.008) 1.971 4.334 ( -4.838 -1.241 5.755) 7.620 4.390 ( -4.080 1.674 -0.166) 4.413 4.536 ( -0.223 2.025 0.313) 2.061 4.603 ( -1.936 4.876 -3.890) 6.531 4.618 ( 1.182 1.821 0.340) 2.198 4.647 ( -1.113 3.649 -0.199) 3.820 4.730 ( 3.582 6.027 -0.905) 7.070 4.812 ( 2.003 1.436 0.268) 2.479 4.921 ( 5.043 -0.874 -1.207) 5.258 4.974 ( 1.271 -1.073 0.360) 1.702 5.024 ( 2.401 -0.921 -0.720) 2.670 5.142 ( -1.554 0.348 -1.138) 1.958 5.199 ( 1.343 -2.199 -1.280) 2.877 5.495 ( -4.600 -2.357 6.946) 8.658 5.665 ( -0.731 -3.163 -5.898) 6.732 5.760 ( -2.355 -2.835 2.080) 4.232 5.820 ( 2.051 -1.543 0.850) 2.704 5.875 ( -2.992 -0.036 -2.070) 3.638 5.971 ( 1.096 -1.693 -0.125) 2.021 10.044 ( -0.132 -2.317 4.129) 4.737 10.126 ( 1.639 -2.635 -4.043) 5.097 10.306 ( -1.156 0.150 2.683) 2.925 10.337 ( -1.332 0.333 -1.188) 1.815 10.792 ( -2.902 1.534 0.247) 3.292 10.932 ( 0.998 -0.672 3.006) 3.238 11.348 ( -1.545 -0.623 0.528) 1.748 11.654 ( 8.870 -4.794 -8.273) 13.042 12.627 ( -3.438 5.560 4.154) 7.746 12.729 ( -1.185 8.681 -0.969) 8.814 13.629 ( 0.092 0.470 10.566) 10.577 13.788 ( 1.754 -0.585 -10.637) 10.797======================= Grid point 141 (73/88) =======================q-point: ( 0.33 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.263 ( 6.023 6.858 8.350) 12.371 1.415 ( 3.278 5.161 5.211) 8.034 1.510 ( -1.671 5.756 2.422) 6.464 1.818 ( 9.807 -0.329 0.970) 9.861 1.952 ( -5.620 -0.806 -12.024) 13.297 2.128 ( -3.625 0.738 -3.411) 5.032 2.224 ( -12.256 -1.984 0.435) 12.423 2.295 ( -7.165 0.872 2.081) 7.512 2.471 ( -1.476 -9.544 -2.861) 10.073 2.591 ( 0.182 -4.270 -4.655) 6.320 2.691 ( -0.895 -2.186 7.980) 8.322 2.781 ( 8.506 2.233 3.629) 9.513 2.820 ( -2.361 2.132 5.271) 6.157 2.933 ( 3.458 0.444 -1.948) 3.994 3.126 ( 1.015 -2.378 1.289) 2.889 3.209 ( 7.759 5.427 2.268) 9.736 3.274 ( 1.561 3.214 0.328) 3.588 3.314 ( 5.813 3.758 0.466) 6.937 3.406 ( 3.683 -4.752 0.636) 6.045 3.497 ( -2.459 -3.290 3.148) 5.175 3.574 ( -1.667 -3.398 0.476) 3.815 3.665 ( -0.548 -0.374 1.080) 1.267 3.746 ( 0.845 -0.025 -1.114) 1.399 3.782 ( 0.740 0.364 -3.544) 3.639 3.794 ( -4.303 5.688 2.790) 7.658 3.975 ( -1.052 -3.255 -4.844) 5.930 4.025 ( 1.085 1.135 -2.682) 3.108 4.120 ( -4.883 1.011 -1.506) 5.209 4.275 ( -3.007 -1.321 4.037) 5.204 4.289 ( -0.759 -1.257 2.554) 2.946 4.357 ( 2.672 0.389 -2.374) 3.596 4.492 ( -2.900 2.577 2.629) 4.687 4.506 ( -4.784 1.925 -0.771) 5.214 4.619 ( -1.127 4.626 -3.658) 6.004 4.692 ( 4.153 2.618 -1.850) 5.246 4.805 ( 0.374 3.335 -0.472) 3.388 4.871 ( 6.572 -3.608 -2.022) 7.765 4.991 ( 1.978 -1.523 1.125) 2.738 5.002 ( 0.885 -0.579 0.629) 1.231 5.073 ( 1.868 2.586 -0.912) 3.318 5.110 ( -0.261 1.634 -1.433) 2.189 5.207 ( -0.194 -0.679 -1.526) 1.682 5.425 ( -4.661 -2.215 8.033) 9.547 5.622 ( -1.050 -3.022 -7.172) 7.853 5.720 ( -2.716 -1.505 4.758) 5.681 5.819 ( -0.662 0.022 -4.573) 4.621 5.877 ( 2.230 -1.922 2.635) 3.951 5.985 ( 0.493 -1.833 -1.284) 2.291 10.057 ( -0.233 -2.593 4.560) 5.251 10.150 ( 2.234 -3.067 -4.652) 6.003 10.291 ( -1.252 0.407 2.491) 2.818 10.317 ( -0.322 0.652 -0.801) 1.082 10.776 ( 0.936 1.546 0.510) 1.878 10.910 ( -3.399 -0.208 1.297) 3.644 11.378 ( 2.986 -1.591 4.116) 5.328 11.738 ( 3.321 -5.730 -12.960) 14.554 12.583 ( -1.854 5.802 4.698) 7.692 12.697 ( -2.066 8.906 0.582) 9.161 13.646 ( -2.241 0.568 10.390) 10.644 13.801 ( 3.375 -0.307 -10.281) 10.825======================= Grid point 142 (74/88) =======================q-point: (-0.50 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( -4.622 2.180 5.332) 7.386 1.428 ( 5.544 4.028 3.276) 7.595 1.540 ( 2.436 6.565 6.793) 9.756 1.783 ( -6.378 1.462 -11.650) 13.362 1.971 ( 0.204 -0.231 6.181) 6.188 2.046 ( -6.292 2.342 4.222) 7.931 2.093 ( 4.832 -0.297 -1.104) 4.965 2.207 ( 1.405 0.842 -8.992) 9.140 2.469 ( 1.495 -7.731 1.207) 7.966 2.534 ( -3.809 -5.804 -4.302) 8.167 2.686 ( -1.826 -2.267 5.832) 6.518 2.791 ( 0.870 2.509 -0.316) 2.674 2.941 ( 2.857 0.617 2.911) 4.126 3.013 ( 4.145 -3.068 -1.663) 5.418 3.150 ( 0.123 1.300 6.703) 6.829 3.267 ( -4.866 5.602 5.142) 9.027 3.295 ( -1.877 3.070 -0.279) 3.609 3.353 ( -0.524 0.454 3.178) 3.253 3.401 ( -5.030 -1.349 -2.449) 5.755 3.524 ( 7.896 -3.095 -5.678) 10.206 3.615 ( 3.806 -4.392 1.933) 6.124 3.651 ( -2.900 -1.183 3.233) 4.502 3.671 ( -2.184 5.445 3.901) 7.045 3.743 ( -0.075 -0.706 5.465) 5.511 3.839 ( 1.926 4.611 -5.097) 7.138 3.987 ( -1.807 2.573 -10.978) 11.419 4.010 ( 1.886 -2.891 -0.021) 3.451 4.033 ( 0.145 -1.634 -3.404) 3.779 4.244 ( -1.002 -1.458 5.147) 5.443 4.302 ( 0.871 -1.328 0.406) 1.640 4.416 ( 1.893 -1.251 -1.196) 2.565 4.431 ( -1.015 0.961 -1.422) 1.994 4.472 ( -0.747 3.944 4.871) 6.312 4.587 ( 0.117 4.389 -5.240) 6.836 4.762 ( 2.640 0.675 -1.220) 2.985 4.769 ( -2.092 0.084 -1.527) 2.591 4.952 ( -2.974 -1.715 0.841) 3.534 4.991 ( 3.572 -1.519 -2.367) 4.546 5.013 ( -2.999 1.089 3.867) 5.013 5.080 ( 2.565 2.058 -2.608) 4.197 5.147 ( 1.731 0.847 0.465) 1.982 5.163 ( -3.861 2.038 -1.245) 4.540 5.407 ( -0.020 -1.836 8.567) 8.762 5.587 ( 0.595 -2.724 -8.053) 8.522 5.698 ( -1.276 -1.087 4.949) 5.225 5.807 ( 1.220 -0.278 -4.793) 4.953 5.929 ( 1.987 -3.049 1.689) 4.012 5.981 ( 0.243 -1.288 -3.225) 3.482 10.063 ( -0.930 -2.768 4.719) 5.549 10.168 ( 1.214 -3.308 -5.199) 6.281 10.283 ( -0.359 0.710 1.977) 2.131 10.321 ( 1.234 0.021 -1.750) 2.141 10.827 ( 3.741 1.038 0.631) 3.934 10.844 ( -2.578 1.073 -1.103) 3.002 11.454 ( 1.721 -3.653 8.645) 9.542 11.686 ( -3.247 -5.333 -14.445) 15.736 12.598 ( 0.971 6.710 5.719) 8.870 12.662 ( -1.075 8.635 -0.382) 8.710 13.621 ( -4.119 0.979 10.916) 11.709 13.833 ( 3.380 -0.222 -9.814) 10.382======================= Grid point 143 (75/88) =======================q-point: (-0.33 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( -6.496 1.585 5.702) 8.788 1.461 ( -3.061 4.600 -1.384) 5.696 1.567 ( -4.701 4.894 10.661) 12.637 1.671 ( -2.118 6.091 -4.462) 7.842 1.962 ( 2.515 -0.983 -3.635) 4.528 2.036 ( 3.751 1.600 4.118) 5.795 2.225 ( 6.966 -2.610 0.376) 7.448 2.309 ( 7.842 -0.534 -0.391) 7.870 2.439 ( -3.299 -8.142 0.075) 8.785 2.529 ( 2.913 -6.324 0.171) 6.965 2.688 ( 1.250 0.440 1.113) 1.730 2.819 ( 0.086 4.398 2.920) 5.280 2.889 ( -9.537 4.148 8.452) 13.402 3.049 ( -5.078 -0.018 -5.319) 7.354 3.088 ( 1.119 -0.640 1.038) 1.655 3.148 ( -3.772 -1.475 -0.834) 4.135 3.279 ( -2.785 5.009 -4.217) 7.115 3.349 ( -1.516 3.293 -1.831) 4.061 3.364 ( 1.270 -5.667 8.623) 10.396 3.532 ( -5.452 -5.009 -3.841) 8.341 3.603 ( -2.013 2.317 7.089) 7.725 3.645 ( 1.197 -2.944 -5.178) 6.075 3.695 ( -0.985 -0.562 2.006) 2.304 3.818 ( 4.093 -1.875 0.015) 4.502 3.869 ( -0.919 0.240 -2.636) 2.802 3.908 ( 3.396 4.233 -2.899) 6.153 4.007 ( 1.080 1.752 -0.918) 2.254 4.131 ( 5.771 1.759 -2.343) 6.473 4.265 ( 1.208 -0.002 2.637) 2.901 4.324 ( 0.907 0.301 0.728) 1.202 4.395 ( 1.544 -4.637 -3.721) 6.142 4.466 ( 0.548 3.434 1.484) 3.781 4.496 ( 1.886 1.239 3.484) 4.151 4.603 ( 2.693 4.485 -3.107) 6.084 4.693 ( -3.787 -0.026 -1.684) 4.145 4.807 ( 0.678 -1.033 0.608) 1.377 4.862 ( -4.975 1.971 -1.977) 5.705 4.961 ( -2.507 1.835 2.929) 4.270 5.020 ( -2.706 -0.219 -1.029) 2.903 5.054 ( -3.234 2.337 0.583) 4.033 5.130 ( 1.734 1.129 -2.156) 2.988 5.170 ( 0.235 -1.939 2.000) 2.796 5.463 ( 2.137 -1.356 7.121) 7.557 5.597 ( 3.479 -2.447 -7.921) 8.990 5.701 ( -0.182 -1.718 3.914) 4.278 5.825 ( 1.655 -0.203 -2.465) 2.976 5.940 ( -0.175 -3.033 -3.651) 4.749 5.994 ( 1.801 -2.141 -2.190) 3.553 10.056 ( -1.462 -2.663 4.389) 5.338 10.160 ( -0.039 -3.131 -5.021) 5.918 10.289 ( 0.301 1.076 1.612) 1.961 10.347 ( 2.101 -1.159 -3.134) 3.947 10.799 ( -0.758 1.740 -1.868) 2.663 10.937 ( 6.771 -0.529 -0.865) 6.846 11.458 ( -5.853 -5.290 3.610) 8.676 11.562 ( -3.309 -2.461 -4.029) 5.765 12.617 ( -0.449 8.241 2.646) 8.667 12.690 ( 3.391 7.235 0.697) 8.021 13.576 ( -4.368 1.387 11.675) 12.543 13.852 ( 2.033 -0.413 -9.648) 9.868======================= Grid point 144 (76/88) =======================q-point: (-0.17 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( -3.209 3.040 9.349) 10.342 1.366 ( -5.926 6.130 2.306) 8.832 1.482 ( -4.838 3.929 6.221) 8.806 1.628 ( -0.720 6.994 -5.377) 8.851 2.049 ( 6.665 -2.312 -3.737) 7.984 2.148 ( 4.467 -1.315 -0.092) 4.657 2.340 ( 2.711 -3.489 6.142) 7.567 2.384 ( 2.218 -5.085 1.936) 5.876 2.477 ( 4.179 -4.759 3.932) 7.455 2.579 ( 2.922 -5.062 -2.353) 6.301 2.655 ( -10.392 10.529 11.171) 18.538 2.764 ( 1.660 -1.868 5.653) 6.180 2.854 ( 0.818 5.302 -0.130) 5.366 2.926 ( -3.404 0.569 -8.503) 9.177 3.096 ( -3.858 -3.407 -1.573) 5.382 3.128 ( 1.544 -0.828 -7.519) 7.720 3.195 ( -1.461 1.617 -2.316) 3.180 3.324 ( -0.242 1.394 0.051) 1.416 3.379 ( -2.745 -6.644 1.959) 7.451 3.449 ( -0.921 -0.775 2.928) 3.166 3.525 ( -5.754 -0.944 0.215) 5.835 3.629 ( -3.706 1.107 -2.493) 4.602 3.678 ( 0.599 -0.559 4.294) 4.371 3.795 ( 0.285 1.485 -6.925) 7.088 3.931 ( 3.154 -3.982 -0.435) 5.098 3.981 ( 1.933 1.823 -0.498) 2.703 4.048 ( 3.382 0.572 -0.460) 3.460 4.187 ( 0.692 3.581 0.158) 3.651 4.289 ( 1.085 -0.375 -0.766) 1.380 4.355 ( 1.119 -1.690 2.143) 2.949 4.455 ( 4.556 -0.794 -3.582) 5.849 4.495 ( 1.933 4.264 3.716) 5.977 4.518 ( -2.556 2.678 3.291) 4.953 4.613 ( 0.514 3.666 -0.722) 3.772 4.680 ( 2.958 1.977 -1.300) 3.788 4.768 ( -1.839 2.757 -3.737) 4.995 4.807 ( -0.983 1.753 0.477) 2.066 4.876 ( -7.172 5.866 1.224) 9.346 4.957 ( -1.998 -4.249 2.002) 5.104 5.032 ( -0.636 -0.054 -0.407) 0.757 5.147 ( 0.930 -0.212 -1.235) 1.561 5.178 ( 0.062 -2.153 0.341) 2.180 5.519 ( 0.738 -1.290 7.033) 7.189 5.654 ( 4.657 -2.107 -8.074) 9.556 5.716 ( 0.394 -2.689 3.922) 4.772 5.835 ( -0.632 -1.737 0.091) 1.851 5.929 ( 1.043 -1.969 -5.022) 5.494 6.003 ( -0.271 -2.473 -3.191) 4.046 10.043 ( -1.314 -2.387 3.950) 4.799 10.137 ( -0.301 -2.887 -4.713) 5.535 10.303 ( 0.356 0.842 2.004) 2.203 10.369 ( 1.291 -1.438 -3.691) 4.166 10.805 ( 2.097 1.657 -1.408) 3.021 11.017 ( -0.778 -2.283 -4.745) 5.323 11.354 ( 0.062 -1.965 0.525) 2.035 11.508 ( -4.310 -2.587 4.633) 6.837 12.629 ( 0.594 8.541 3.656) 9.310 12.750 ( 2.362 6.509 -2.148) 7.250 13.551 ( -2.294 1.444 12.361) 12.655 13.841 ( 0.493 -0.665 -9.939) 9.973======================= Grid point 145 (77/88) =======================q-point: ( 0.00 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( -0.071 8.513 14.883) 17.146 1.501 ( -5.487 11.550 11.752) 17.367 1.598 ( 3.545 9.615 -8.908) 13.579 1.742 ( 0.834 6.925 -10.115) 12.286 2.029 ( -0.180 -7.339 -0.292) 7.347 2.054 ( 1.754 -5.794 -3.759) 7.126 2.331 ( -0.602 -4.199 0.862) 4.328 2.360 ( 4.604 -3.846 -1.801) 6.264 2.425 ( 0.496 -5.446 7.535) 9.310 2.526 ( -1.791 -5.509 -1.905) 6.098 2.672 ( -0.522 -7.784 1.536) 7.951 2.758 ( 0.551 -7.835 -5.803) 9.766 2.824 ( -3.910 12.529 11.089) 17.182 2.963 ( -1.724 8.201 -2.777) 8.828 3.068 ( 1.758 -1.930 2.441) 3.575 3.133 ( 0.052 -0.330 -0.435) 0.549 3.189 ( -2.343 2.853 0.087) 3.693 3.221 ( 0.729 0.344 0.687) 1.059 3.349 ( -0.294 -1.241 0.888) 1.554 3.390 ( -0.234 -2.298 -3.505) 4.197 3.480 ( 0.537 -0.062 5.990) 6.014 3.648 ( 0.486 4.628 -5.550) 7.243 3.694 ( -1.700 1.292 3.819) 4.375 3.837 ( 2.578 0.851 -6.788) 7.311 3.946 ( 2.095 0.046 1.502) 2.578 3.991 ( -2.165 2.693 -2.830) 4.466 4.086 ( -2.964 -1.993 3.804) 5.218 4.172 ( 3.050 -0.246 -4.386) 5.348 4.270 ( -3.487 -2.964 1.562) 4.836 4.307 ( 4.693 -3.492 -1.630) 6.072 4.501 ( -4.154 2.201 7.559) 8.901 4.590 ( 1.511 0.617 -0.940) 1.883 4.649 ( -2.699 5.272 3.627) 6.945 4.698 ( 1.017 0.150 0.576) 1.179 4.743 ( 3.096 -1.120 1.286) 3.535 4.807 ( -1.940 3.479 -5.419) 6.726 4.845 ( -0.412 2.689 2.847) 3.938 4.900 ( 2.702 3.735 -2.821) 5.405 4.919 ( 1.083 2.210 -0.217) 2.471 4.947 ( -1.130 -3.179 -2.338) 4.105 5.165 ( 0.792 1.170 -0.176) 1.424 5.179 ( -0.590 2.877 -2.094) 3.607 5.499 ( -2.068 -1.289 6.541) 6.980 5.623 ( -0.241 -3.210 -3.719) 4.919 5.700 ( 3.854 -3.832 0.230) 5.440 5.714 ( -2.330 -4.856 2.202) 5.819 5.897 ( 0.207 -2.251 -2.835) 3.626 5.926 ( -0.257 -2.549 -4.691) 5.345 9.997 ( -0.249 -1.354 2.085) 2.498 10.061 ( 0.514 -2.924 -4.037) 5.011 10.315 ( -0.430 -0.081 1.404) 1.471 10.345 ( 0.215 -1.267 -1.499) 1.974 10.889 ( 1.563 1.680 0.293) 2.314 10.915 ( -3.783 1.498 -2.052) 4.557 11.367 ( -2.343 -3.084 0.346) 3.888 11.401 ( 6.561 -4.307 -2.006) 8.100 12.841 ( -2.438 10.127 6.237) 12.141 12.914 ( 0.362 8.101 -0.628) 8.134 13.601 ( 0.271 1.248 7.954) 8.056 13.775 ( 0.160 -2.697 -8.537) 8.955======================= Grid point 146 (78/88) =======================q-point: ( 0.17 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.406 ( 0.108 12.273 8.665) 15.024 1.470 ( -0.456 7.884 13.500) 15.640 1.636 ( 3.481 6.495 -11.410) 13.583 1.753 ( 2.279 6.629 -1.812) 7.240 1.996 ( -1.329 -4.433 -5.611) 7.274 2.095 ( 2.650 -5.971 -1.124) 6.629 2.304 ( -1.651 -3.805 -2.663) 4.929 2.383 ( -8.868 -5.126 -2.615) 10.572 2.430 ( -0.349 -4.765 -1.336) 4.961 2.448 ( 0.811 -5.764 4.706) 7.485 2.616 ( -2.607 -4.810 -0.756) 5.523 2.794 ( 1.302 6.741 4.991) 8.488 2.861 ( 0.494 0.494 3.927) 3.989 2.956 ( 2.296 0.380 1.149) 2.595 3.021 ( -1.567 2.443 -0.867) 3.029 3.163 ( 1.555 -0.291 -2.421) 2.892 3.204 ( 2.135 -4.766 6.781) 8.559 3.299 ( 5.489 3.602 -0.235) 6.570 3.327 ( 2.163 4.460 -0.281) 4.965 3.444 ( 2.374 -2.725 1.017) 3.755 3.507 ( -0.322 -2.620 3.560) 4.432 3.653 ( 0.851 1.913 2.540) 3.292 3.682 ( 0.931 2.230 -4.390) 5.011 3.851 ( 0.064 -1.192 -5.630) 5.756 3.890 ( -3.402 2.625 -1.321) 4.495 4.006 ( -0.474 0.347 -0.525) 0.787 4.034 ( -0.448 -0.566 2.142) 2.260 4.222 ( -0.454 -3.769 0.276) 3.806 4.252 ( 3.740 2.473 -1.285) 4.664 4.336 ( -5.089 0.952 1.061) 5.285 4.428 ( -3.816 2.102 1.452) 4.593 4.553 ( -3.644 -2.576 4.229) 6.148 4.613 ( -1.199 1.373 1.838) 2.589 4.688 ( -0.959 2.836 -2.407) 3.841 4.736 ( -0.815 3.813 -2.365) 4.560 4.831 ( -0.578 2.926 -0.065) 2.983 4.855 ( 3.224 0.678 0.593) 3.348 4.896 ( 0.634 0.299 -1.145) 1.342 4.948 ( 1.490 -0.545 -0.207) 1.600 5.022 ( 5.683 -1.021 -2.064) 6.131 5.155 ( -0.297 0.690 -2.024) 2.158 5.190 ( 1.384 2.980 -0.381) 3.307 5.457 ( -4.261 -0.708 6.295) 7.634 5.592 ( -1.403 -3.764 -3.707) 5.466 5.693 ( -0.912 -3.398 2.630) 4.392 5.772 ( 2.932 -3.314 1.004) 4.537 5.862 ( -1.876 -1.097 -3.980) 4.535 5.922 ( 0.949 -2.991 -2.964) 4.316 10.000 ( -0.156 -1.601 2.106) 2.650 10.064 ( 1.225 -3.130 -3.988) 5.216 10.309 ( -0.621 0.028 1.235) 1.383 10.337 ( -0.544 -0.445 -0.811) 1.073 10.835 ( -2.501 2.664 -0.045) 3.654 10.923 ( -0.015 -0.181 1.637) 1.647 11.333 ( -0.117 -0.645 -1.146) 1.321 11.532 ( 6.988 -6.806 -6.569) 11.760 12.790 ( -4.285 9.662 6.228) 12.268 12.909 ( -1.267 8.274 1.589) 8.520 13.640 ( 0.549 0.692 7.193) 7.247 13.763 ( 1.833 -1.977 -8.383) 8.805======================= Grid point 147 (79/88) =======================q-point: ( 0.33 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( 2.408 10.215 7.008) 12.619 1.542 ( 0.818 6.781 7.784) 10.356 1.636 ( 0.086 6.019 -4.073) 7.268 1.812 ( 3.305 -0.529 2.336) 4.082 1.955 ( 0.685 1.382 -10.027) 10.145 2.115 ( -2.822 -1.466 -2.358) 3.959 2.209 ( -4.787 -2.228 0.607) 5.315 2.262 ( -0.638 -4.630 -1.759) 4.994 2.345 ( -6.471 0.816 -0.138) 6.523 2.491 ( 0.272 -5.753 -5.233) 7.782 2.583 ( -1.118 -6.466 6.142) 8.987 2.807 ( -1.288 -2.476 -5.348) 6.032 2.908 ( 3.428 6.941 9.709) 12.418 2.939 ( 0.494 1.096 0.790) 1.438 3.092 ( 3.235 -0.618 -0.710) 3.369 3.245 ( 6.837 -2.870 0.804) 7.459 3.268 ( 3.469 -3.860 2.904) 5.947 3.368 ( 3.300 0.240 -0.699) 3.382 3.433 ( 0.236 1.777 -2.029) 2.708 3.441 ( -2.086 -1.057 3.318) 4.059 3.506 ( 3.258 3.257 7.011) 8.389 3.674 ( -0.684 1.041 3.549) 3.761 3.728 ( 3.330 -0.405 -5.228) 6.212 3.790 ( -1.474 -2.562 -1.380) 3.262 3.840 ( -2.464 1.479 -1.464) 3.226 3.990 ( -0.254 2.711 0.360) 2.747 4.060 ( 0.735 1.815 -0.143) 1.963 4.167 ( -7.806 3.270 -0.824) 8.504 4.234 ( -0.200 -0.938 0.914) 1.324 4.298 ( -2.671 2.238 1.527) 3.805 4.349 ( 0.651 -1.372 -1.214) 1.944 4.504 ( -4.973 -0.146 4.748) 6.877 4.582 ( -0.727 3.366 -2.759) 4.413 4.689 ( 0.729 2.838 -1.020) 3.102 4.749 ( 1.456 1.415 -2.417) 3.156 4.815 ( -1.031 -0.513 -1.117) 1.604 4.848 ( 0.382 -0.222 -0.121) 0.458 4.958 ( 1.487 -0.593 1.377) 2.112 4.985 ( 3.169 -1.663 0.356) 3.596 5.081 ( 0.612 -3.292 -0.141) 3.352 5.164 ( 2.010 3.071 -2.303) 4.333 5.216 ( 1.187 2.634 -1.376) 3.200 5.399 ( -3.419 0.370 5.914) 6.842 5.549 ( -1.068 -3.722 -5.590) 6.800 5.685 ( -1.327 -1.520 4.340) 4.786 5.815 ( -0.572 -1.005 -1.633) 2.001 5.823 ( 1.354 -2.648 -0.778) 3.074 5.934 ( 1.374 -3.134 -3.929) 5.210 10.005 ( -0.267 -2.140 2.418) 3.241 10.077 ( 1.518 -3.840 -4.501) 6.108 10.302 ( -0.531 0.550 1.155) 1.385 10.324 ( -0.383 0.019 -0.564) 0.682 10.817 ( 0.513 2.402 0.383) 2.486 10.904 ( -2.010 -0.357 0.916) 2.237 11.353 ( 1.654 -0.519 1.369) 2.209 11.596 ( 2.487 -7.758 -10.392) 13.204 12.750 ( -1.913 9.720 7.412) 12.372 12.878 ( -2.320 8.124 1.989) 8.680 13.662 ( -1.147 0.990 7.123) 7.282 13.784 ( 3.169 -1.605 -8.361) 9.085======================= Grid point 148 (80/88) =======================q-point: (-0.50 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( -7.807 4.725 7.850) 12.038 1.550 ( 5.181 7.996 5.700) 11.103 1.678 ( 3.340 6.221 -0.223) 7.065 1.807 ( -2.276 0.188 -8.417) 8.721 1.989 ( 1.532 2.253 0.244) 2.735 2.033 ( -0.453 -1.898 -2.723) 3.350 2.148 ( -4.345 2.827 5.104) 7.275 2.252 ( 0.505 4.103 -4.767) 6.310 2.311 ( 3.958 -7.134 2.558) 8.550 2.407 ( -5.313 -6.095 -3.793) 8.931 2.611 ( 0.415 -4.958 6.177) 7.932 2.780 ( 1.451 -3.868 -7.142) 8.251 2.958 ( 1.443 1.887 1.409) 2.762 2.988 ( 1.640 1.003 -0.103) 1.925 3.191 ( 5.623 2.482 3.315) 6.983 3.242 ( -4.652 -3.804 1.099) 6.109 3.319 ( -7.966 -2.604 5.977) 10.294 3.388 ( -0.415 -1.280 0.066) 1.347 3.407 ( 0.975 -1.174 -0.112) 1.530 3.473 ( 9.169 -2.119 -5.926) 11.122 3.594 ( -7.154 3.388 4.666) 9.189 3.656 ( 3.883 3.966 0.875) 5.619 3.702 ( -1.013 -0.888 4.447) 4.647 3.775 ( -3.344 3.350 0.735) 4.790 3.903 ( 8.844 -2.061 0.833) 9.119 3.970 ( -4.944 3.509 -1.922) 6.360 3.997 ( -1.673 0.657 -1.196) 2.159 4.089 ( 0.536 3.259 -5.547) 6.456 4.239 ( -0.217 1.441 3.421) 3.719 4.278 ( 1.485 -0.477 -0.241) 1.579 4.399 ( 0.229 -2.997 2.916) 4.188 4.423 ( -0.925 1.528 -0.722) 1.926 4.578 ( -0.062 5.228 2.038) 5.611 4.668 ( -1.267 3.650 -4.353) 5.820 4.751 ( -0.294 -1.601 1.272) 2.066 4.780 ( -1.537 0.699 -1.231) 2.089 4.914 ( 4.021 -2.626 0.264) 4.810 4.951 ( -0.835 -0.464 -3.301) 3.436 5.020 ( -1.787 -3.394 4.215) 5.699 5.087 ( 0.961 -1.378 -1.048) 1.980 5.190 ( 0.515 3.385 -0.276) 3.435 5.209 ( -0.932 2.801 -2.006) 3.569 5.387 ( 0.306 0.425 4.947) 4.974 5.523 ( 0.864 -3.195 -6.878) 7.633 5.675 ( -1.429 -0.893 4.973) 5.250 5.801 ( 0.954 -0.308 -4.475) 4.586 5.852 ( 0.692 -4.200 1.591) 4.544 5.941 ( 1.086 -2.646 -4.995) 5.756 10.006 ( -0.609 -2.411 2.665) 3.645 10.086 ( 1.182 -4.364 -5.078) 6.799 10.298 ( -0.268 0.751 1.340) 1.559 10.322 ( 0.419 -0.068 -1.025) 1.109 10.853 ( 2.997 1.418 0.287) 3.328 10.866 ( -1.635 1.094 -0.955) 2.187 11.387 ( 0.163 -2.396 5.537) 6.035 11.557 ( -1.952 -6.816 -11.103) 13.174 12.771 ( 0.892 9.392 7.701) 12.178 12.845 ( -1.294 8.600 0.816) 8.735 13.648 ( -2.859 1.707 7.485) 8.193 13.814 ( 2.822 -1.912 -8.386) 9.053======================= Grid point 149 (81/88) =======================q-point: (-0.33 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.368 ( -6.337 5.603 11.087) 13.946 1.584 ( -2.696 7.423 -1.334) 8.009 1.720 ( -2.038 9.452 8.224) 12.693 1.778 ( 1.915 3.122 -9.003) 9.720 1.939 ( 0.576 -1.803 -6.854) 7.110 2.070 ( 1.621 0.095 2.551) 3.024 2.167 ( 3.493 -1.343 4.454) 5.817 2.284 ( -2.527 -3.365 3.981) 5.793 2.307 ( 2.722 -2.260 -4.174) 5.472 2.417 ( 4.596 -4.015 0.462) 6.120 2.638 ( 0.852 -5.193 3.635) 6.396 2.807 ( 3.128 -5.961 -4.890) 8.321 2.960 ( -0.477 3.428 -2.758) 4.425 3.041 ( 3.607 -0.528 -1.483) 3.935 3.109 ( -5.851 -0.720 -1.160) 6.008 3.132 ( -12.114 2.178 6.377) 13.862 3.289 ( 1.236 -2.689 1.695) 3.410 3.371 ( -1.435 -0.692 0.312) 1.623 3.413 ( -6.421 5.128 0.638) 8.242 3.443 ( -2.697 -0.604 5.781) 6.408 3.587 ( 0.046 -2.793 -5.291) 5.983 3.663 ( -1.283 4.680 3.186) 5.805 3.704 ( 1.590 -1.321 0.729) 2.192 3.784 ( 2.215 1.642 0.551) 2.812 3.867 ( -2.173 0.509 -7.115) 7.457 3.990 ( 0.576 2.988 0.671) 3.116 4.040 ( 2.066 1.163 1.742) 2.942 4.156 ( 8.688 -0.235 -0.427) 8.702 4.241 ( -0.372 -2.077 0.373) 2.143 4.320 ( -2.638 -1.418 -0.607) 3.056 4.352 ( 3.674 0.260 -0.030) 3.683 4.505 ( 4.396 2.842 2.179) 5.670 4.576 ( -0.256 4.372 3.250) 5.454 4.662 ( 1.758 1.977 -2.098) 3.377 4.702 ( -3.940 -0.571 1.264) 4.177 4.793 ( 1.889 1.771 0.545) 2.646 4.906 ( -2.022 0.941 -3.189) 3.892 4.948 ( -3.019 -1.198 2.663) 4.200 4.991 ( 0.208 -3.789 -0.918) 3.904 5.089 ( -1.104 -0.963 -1.819) 2.336 5.146 ( -2.692 2.632 0.352) 3.782 5.210 ( 0.281 4.750 -1.265) 4.924 5.434 ( 2.249 -1.173 4.487) 5.154 5.539 ( 3.374 -3.036 -6.810) 8.184 5.666 ( -1.135 -1.443 3.956) 4.361 5.806 ( -0.896 -2.425 1.853) 3.181 5.863 ( 1.564 -3.433 -5.014) 6.275 5.944 ( 1.090 -2.789 -4.838) 5.690 10.001 ( -0.779 -2.218 2.544) 3.464 10.084 ( 0.468 -4.017 -5.022) 6.448 10.304 ( 0.310 0.323 1.164) 1.247 10.330 ( 0.764 -0.559 -1.320) 1.624 10.842 ( -0.154 2.353 -2.037) 3.116 10.928 ( 4.467 -0.393 -1.019) 4.598 11.371 ( -4.217 -3.022 4.237) 6.698 11.480 ( -2.060 -4.955 -4.514) 7.012 12.811 ( 0.273 9.924 4.612) 10.946 12.854 ( 2.079 8.180 1.611) 8.593 13.613 ( -3.358 2.251 7.876) 8.853 13.825 ( 1.364 -2.516 -8.401) 8.875======================= Grid point 150 (82/88) =======================q-point: (-0.17 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.324 ( -3.116 6.809 14.811) 16.596 1.535 ( -0.987 10.019 -0.461) 10.078 1.635 ( -6.288 9.704 4.510) 12.411 1.772 ( 0.707 6.920 -10.606) 12.684 1.985 ( 4.163 -5.061 -4.453) 7.923 2.077 ( -2.084 -5.464 1.084) 5.948 2.257 ( 5.454 -1.388 1.650) 5.865 2.317 ( 1.832 -2.734 6.332) 7.136 2.361 ( 3.627 -6.103 0.325) 7.107 2.489 ( 3.224 -2.959 -0.164) 4.379 2.660 ( 0.221 -8.249 0.654) 8.278 2.830 ( -0.520 -7.018 -5.095) 8.688 2.919 ( -10.466 7.068 6.627) 14.262 2.961 ( 2.107 5.524 1.084) 6.011 3.026 ( -0.567 1.327 -3.726) 3.996 3.127 ( 2.806 -0.424 -0.121) 2.841 3.260 ( -4.157 -4.306 1.587) 6.192 3.271 ( -5.994 4.176 1.624) 7.484 3.337 ( -1.328 -0.184 -1.220) 1.812 3.453 ( 0.026 1.540 6.166) 6.356 3.489 ( -5.775 -2.314 -2.419) 6.675 3.669 ( 0.301 4.513 -7.571) 8.819 3.708 ( -1.648 1.260 7.372) 7.658 3.823 ( 1.656 1.000 -8.222) 8.447 3.868 ( 3.910 -0.448 1.027) 4.067 4.025 ( 1.634 2.105 -1.235) 2.937 4.057 ( 1.243 0.258 0.023) 1.270 4.225 ( -3.539 -3.462 0.261) 4.958 4.242 ( -0.317 -1.749 -0.888) 1.987 4.305 ( 2.610 -1.509 2.172) 3.716 4.455 ( 5.204 -0.996 0.971) 5.387 4.579 ( 2.319 3.867 1.286) 4.689 4.603 ( 0.961 5.383 4.114) 6.843 4.670 ( 1.723 -2.625 -2.116) 3.787 4.697 ( 1.751 3.252 2.435) 4.424 4.829 ( 1.877 4.079 -0.395) 4.508 4.864 ( -1.523 -0.159 1.079) 1.873 4.876 ( -3.823 0.504 -0.795) 3.937 4.982 ( -1.260 -4.006 -1.304) 4.397 5.002 ( -5.566 4.490 -2.190) 7.479 5.144 ( 1.253 -0.391 -0.441) 1.385 5.201 ( -0.611 4.947 -1.761) 5.287 5.486 ( 0.962 -1.736 5.430) 5.782 5.598 ( 4.856 -3.279 -7.176) 9.264 5.660 ( -0.793 -2.578 3.865) 4.714 5.767 ( -3.573 -4.803 3.244) 6.809 5.884 ( 2.228 -2.117 -5.425) 6.235 5.945 ( 0.516 -3.168 -4.837) 5.805 9.996 ( -0.550 -1.708 2.264) 2.889 10.072 ( 0.120 -3.291 -4.491) 5.569 10.314 ( 0.143 0.089 1.249) 1.260 10.340 ( 0.799 -1.348 -1.633) 2.263 10.850 ( 1.742 2.706 -1.758) 3.667 10.980 ( 0.239 -1.318 -3.293) 3.555 11.314 ( -0.214 -1.675 1.729) 2.417 11.432 ( -3.014 -4.497 1.231) 5.552 12.833 ( 0.597 10.609 4.046) 11.370 12.900 ( 1.444 7.597 0.841) 7.778 13.587 ( -1.950 2.098 8.187) 8.673 13.807 ( 0.020 -2.912 -8.465) 8.952======================= Grid point 151 (83/88) =======================q-point: ( 0.00 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( 0.684 10.510 11.100) 15.302 1.683 ( -2.903 2.014 3.503) 4.975 1.787 ( 1.539 7.537 -0.129) 7.693 1.866 ( 0.450 3.265 -2.242) 3.986 1.882 ( 1.923 -2.903 -4.173) 5.434 1.954 ( -2.032 -4.361 -5.313) 7.168 2.260 ( 0.893 -0.686 2.006) 2.301 2.322 ( 1.572 -2.316 -2.404) 3.690 2.327 ( 1.166 -2.525 4.102) 4.956 2.390 ( -2.475 -7.644 -2.136) 8.314 2.563 ( 3.603 -1.882 -1.082) 4.206 2.602 ( -1.183 -5.247 -4.898) 7.275 2.984 ( -1.252 3.859 6.326) 7.515 3.028 ( 1.838 -1.569 4.694) 5.280 3.091 ( -1.827 2.125 -2.081) 3.491 3.107 ( -3.679 -0.782 0.047) 3.762 3.241 ( -1.679 3.216 -0.155) 3.631 3.266 ( 1.855 1.233 -3.988) 4.568 3.337 ( 2.138 -0.100 -0.232) 2.153 3.352 ( 0.145 -1.466 -2.354) 2.777 3.550 ( -2.044 7.106 11.547) 13.711 3.669 ( -1.611 -2.767 8.373) 8.965 3.772 ( -0.280 4.670 -6.334) 7.875 3.835 ( 0.205 -1.467 -5.864) 6.049 3.964 ( 0.368 1.963 4.623) 5.036 4.022 ( -2.471 -2.906 4.094) 5.596 4.072 ( -1.813 3.916 -3.058) 5.289 4.152 ( 3.669 -2.630 -5.189) 6.878 4.220 ( -0.836 -1.155 -0.524) 1.519 4.238 ( 4.041 -2.597 -2.212) 5.289 4.488 ( 0.732 -1.511 2.805) 3.270 4.524 ( -2.406 -4.427 -0.229) 5.044 4.699 ( 1.138 1.807 5.058) 5.490 4.735 ( 0.103 -1.002 3.845) 3.975 4.779 ( -1.091 5.414 -0.746) 5.573 4.837 ( -0.268 -0.353 -4.804) 4.825 4.878 ( 1.468 0.681 1.903) 2.498 4.898 ( -0.854 -1.575 0.389) 1.833 4.948 ( 1.102 2.570 -0.101) 2.798 4.974 ( -1.996 0.608 -2.251) 3.070 5.217 ( 1.264 3.127 -0.211) 3.380 5.241 ( -1.267 1.519 -2.564) 3.239 5.502 ( -0.228 1.902 2.038) 2.797 5.561 ( -0.242 -3.159 -3.260) 4.546 5.624 ( 0.413 -2.394 3.640) 4.376 5.633 ( 0.538 -2.964 2.787) 4.104 5.863 ( 0.499 -0.716 -4.573) 4.655 5.877 ( 0.303 -1.965 -5.505) 5.853 9.989 ( 0.172 0.563 -0.422) 0.724 10.014 ( 0.391 -1.798 -2.688) 3.257 10.311 ( -0.144 -0.089 0.338) 0.378 10.320 ( 0.282 -0.995 -0.507) 1.152 10.926 ( 0.209 1.663 -0.900) 1.903 10.939 ( -1.587 0.475 -2.202) 2.755 11.318 ( 0.612 -1.309 -0.162) 1.454 11.329 ( 2.751 -2.403 -0.880) 3.758 13.009 ( -2.340 5.581 5.847) 8.415 13.036 ( -0.525 3.037 3.500) 4.664 13.635 ( 0.417 2.480 1.573) 2.967 13.704 ( 0.351 -4.041 -4.696) 6.205======================= Grid point 152 (84/88) =======================q-point: ( 0.17 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( 2.076 7.615 9.567) 12.403 1.643 ( -2.421 6.939 5.433) 9.139 1.753 ( -0.752 4.896 -10.050) 11.204 1.842 ( -3.613 -0.250 0.619) 3.674 1.938 ( 2.852 -1.646 -4.490) 5.568 1.948 ( 2.806 -6.375 2.528) 7.410 2.289 ( 1.071 2.368 0.397) 2.629 2.304 ( -3.411 -0.906 -2.999) 4.632 2.348 ( 1.278 -3.607 -2.228) 4.428 2.359 ( 0.423 -3.237 1.119) 3.451 2.559 ( -1.263 -0.253 -3.279) 3.523 2.653 ( 4.097 -9.576 -3.277) 10.918 2.972 ( -1.748 5.383 7.147) 9.117 3.039 ( -1.019 2.283 1.789) 3.075 3.050 ( -0.763 0.454 0.011) 0.888 3.091 ( 1.852 -4.534 4.371) 6.564 3.200 ( -0.989 4.029 -2.450) 4.818 3.287 ( 1.052 -3.280 -3.363) 4.814 3.397 ( 4.331 0.860 -1.682) 4.725 3.419 ( 3.472 -1.096 0.197) 3.646 3.571 ( 0.501 8.238 11.508) 14.162 3.669 ( -1.122 -0.677 8.052) 8.158 3.745 ( -0.213 2.503 -5.284) 5.851 3.795 ( -2.776 -3.187 -3.459) 5.462 3.958 ( -2.178 3.155 2.151) 4.395 3.998 ( -0.928 -1.369 3.797) 4.141 4.046 ( 0.869 2.124 -1.485) 2.733 4.125 ( -1.745 -5.341 -1.477) 5.809 4.286 ( 5.272 1.414 -4.912) 7.343 4.322 ( 2.856 -2.181 -3.449) 4.981 4.458 ( -3.657 0.783 -0.096) 3.742 4.488 ( -1.509 -2.143 4.267) 5.007 4.696 ( -3.079 5.506 1.219) 6.425 4.725 ( -0.999 1.472 1.425) 2.279 4.762 ( -0.602 -0.826 3.224) 3.382 4.811 ( -0.675 -3.242 -1.951) 3.844 4.892 ( -0.352 0.452 0.051) 0.575 4.904 ( -0.657 1.360 1.545) 2.161 4.960 ( 1.979 -0.659 -1.686) 2.681 4.970 ( 0.584 -0.747 -0.400) 1.029 5.212 ( 0.063 3.133 -2.620) 4.085 5.239 ( 0.922 0.827 -0.211) 1.256 5.477 ( -2.416 2.181 1.584) 3.620 5.525 ( -1.727 -2.789 -2.471) 4.107 5.651 ( 1.443 -0.051 3.333) 3.632 5.696 ( 2.946 -3.809 2.005) 5.216 5.844 ( -0.399 -0.199 -4.977) 4.997 5.865 ( 0.621 -2.249 -5.020) 5.536 9.988 ( -0.109 0.378 -0.465) 0.609 10.012 ( 0.440 -1.959 -2.652) 3.327 10.310 ( -0.059 0.219 0.098) 0.247 10.322 ( 0.022 -0.881 -0.419) 0.976 10.888 ( -2.109 2.293 -0.358) 3.136 10.917 ( -1.301 -0.646 0.226) 1.470 11.338 ( 2.207 1.615 -2.194) 3.506 11.407 ( 4.652 -5.161 -3.965) 8.000 12.965 ( -3.978 6.612 6.575) 10.138 13.018 ( -2.681 1.704 4.789) 5.747 13.662 ( 1.503 1.716 1.209) 2.582 13.711 ( 1.970 -2.931 -4.570) 5.775======================= Grid point 153 (85/88) =======================q-point: ( 0.33 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.645 ( 1.027 9.205 4.620) 10.350 1.664 ( -0.899 5.063 5.714) 7.687 1.717 ( 0.482 1.242 -8.236) 8.343 1.786 ( -0.613 -2.622 0.693) 2.780 1.971 ( 1.447 -0.698 0.458) 1.670 2.009 ( 2.106 -6.737 4.636) 8.445 2.195 ( -5.250 5.291 -6.095) 9.629 2.291 ( -1.471 1.368 -2.088) 2.898 2.348 ( -0.008 -2.685 0.082) 2.686 2.375 ( -0.587 -3.655 -0.549) 3.743 2.525 ( -0.492 2.959 -0.423) 3.029 2.672 ( 0.164 -9.170 -5.499) 10.694 2.997 ( 1.313 4.423 6.060) 7.616 3.059 ( -0.370 5.589 0.901) 5.674 3.088 ( 5.025 -1.030 2.818) 5.853 3.144 ( 2.255 -3.219 2.247) 4.527 3.228 ( 5.253 -1.183 -2.626) 5.990 3.282 ( 0.879 -5.679 -4.417) 7.248 3.419 ( -3.379 0.249 3.206) 4.665 3.436 ( -1.495 -0.824 0.659) 1.830 3.670 ( 5.242 5.570 4.783) 9.021 3.688 ( 0.018 0.138 0.430) 0.452 3.718 ( -2.682 0.140 0.329) 2.706 3.747 ( 1.904 -0.408 2.504) 3.171 3.916 ( -2.127 5.902 -0.557) 6.298 4.014 ( 1.186 -0.182 1.874) 2.226 4.071 ( 0.441 -0.873 1.458) 1.756 4.099 ( -1.328 -6.239 -0.173) 6.381 4.303 ( -1.356 2.774 -1.504) 3.434 4.329 ( 0.155 -0.420 -2.458) 2.499 4.388 ( -2.905 6.013 -0.455) 6.693 4.479 ( -2.368 -2.837 1.333) 3.928 4.652 ( -0.679 4.889 1.683) 5.215 4.726 ( 1.009 1.381 0.669) 1.836 4.752 ( -1.591 -2.039 3.029) 3.983 4.788 ( -1.674 -2.894 2.518) 4.185 4.871 ( -1.896 2.875 0.088) 3.445 4.919 ( 1.001 -2.178 1.367) 2.760 4.966 ( 0.339 -1.239 -3.654) 3.874 4.987 ( 1.820 -3.553 -2.834) 4.896 5.228 ( 1.762 2.796 -1.998) 3.862 5.256 ( 1.056 0.332 -1.273) 1.687 5.437 ( -1.905 2.668 1.203) 3.492 5.487 ( -1.029 -2.496 -3.023) 4.053 5.681 ( -0.093 1.577 4.647) 4.908 5.742 ( 0.511 -3.970 4.491) 6.016 5.824 ( 0.818 1.145 -6.905) 7.047 5.868 ( 1.750 -3.070 -6.167) 7.108 9.984 ( -0.120 0.182 -0.359) 0.420 10.011 ( 0.499 -2.457 -2.881) 3.819 10.310 ( 0.047 0.335 0.003) 0.339 10.319 ( -0.170 -0.453 -0.271) 0.555 10.864 ( -0.272 2.040 0.219) 2.070 10.893 ( -1.096 -0.884 0.438) 1.475 11.369 ( 1.391 2.430 -1.875) 3.370 11.454 ( 1.807 -5.952 -6.005) 8.646 12.925 ( -2.341 6.642 7.410) 10.223 12.982 ( -2.541 1.409 5.096) 5.866 13.689 ( 0.661 1.930 1.147) 2.340 13.738 ( 2.287 -2.699 -4.657) 5.848======================= Grid point 154 (86/88) =======================q-point: (-0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( -5.419 6.577 4.348) 9.567 1.706 ( 1.974 -0.167 -5.116) 5.486 1.733 ( 2.739 4.440 5.196) 7.363 1.807 ( 1.576 0.466 -1.728) 2.385 1.997 ( -0.175 -0.793 1.159) 1.415 2.033 ( -1.351 -1.600 -0.552) 2.166 2.126 ( 0.976 0.444 3.296) 3.466 2.212 ( -3.863 -4.872 -2.136) 6.574 2.350 ( -0.413 2.456 0.264) 2.505 2.366 ( 0.803 3.237 -1.051) 3.497 2.533 ( 0.172 -0.160 1.788) 1.803 2.650 ( 0.297 -8.284 -7.407) 11.116 3.035 ( -0.395 5.663 2.896) 6.373 3.048 ( 0.873 4.387 0.756) 4.537 3.151 ( -1.080 -4.663 3.506) 5.933 3.188 ( -1.245 -6.307 2.136) 6.775 3.277 ( 0.330 1.843 -1.114) 2.179 3.328 ( 0.190 -2.546 0.595) 2.622 3.376 ( -0.670 -0.042 -1.622) 1.755 3.424 ( 7.864 -3.248 -7.339) 11.236 3.644 ( -3.195 1.122 2.417) 4.160 3.669 ( -2.231 -1.245 0.388) 2.584 3.769 ( 1.153 4.242 4.258) 6.120 3.826 ( 1.614 -1.215 -0.786) 2.168 3.924 ( 5.029 7.240 4.743) 10.010 4.011 ( -4.471 2.283 -3.094) 5.897 4.041 ( -1.097 -0.299 2.840) 3.059 4.077 ( -0.124 -4.239 0.253) 4.249 4.277 ( -3.932 2.092 3.645) 5.755 4.319 ( -0.635 0.067 1.162) 1.326 4.356 ( -0.753 3.159 1.794) 3.710 4.438 ( 2.548 -1.576 -3.984) 4.985 4.674 ( 0.628 4.180 3.449) 5.455 4.717 ( -2.614 0.472 3.132) 4.107 4.738 ( -1.474 1.342 0.997) 2.229 4.778 ( 0.178 -1.387 1.255) 1.879 4.867 ( 2.359 -1.138 1.032) 2.815 4.908 ( -2.855 -4.994 3.731) 6.857 4.966 ( 1.949 1.494 -7.778) 8.157 5.030 ( 3.483 -3.950 -6.226) 8.155 5.247 ( 0.434 1.854 -0.588) 1.993 5.256 ( -0.744 1.147 -1.454) 1.995 5.422 ( -0.009 2.504 0.870) 2.651 5.470 ( 0.493 -2.267 -3.242) 3.987 5.681 ( -1.668 1.918 5.656) 6.201 5.748 ( -1.625 -4.291 5.661) 7.287 5.829 ( 2.174 1.685 -8.011) 8.470 5.881 ( 1.781 -3.157 -6.881) 7.777 9.981 ( -0.041 0.140 -0.216) 0.261 10.012 ( 0.657 -2.803 -3.115) 4.242 10.309 ( -0.194 0.401 0.317) 0.546 10.317 ( 0.148 -0.360 -0.437) 0.585 10.877 ( 1.375 0.819 -0.050) 1.601 10.882 ( 0.083 0.342 -0.578) 0.676 11.374 ( -0.670 1.219 0.489) 1.475 11.436 ( -1.146 -4.873 -5.544) 7.470 12.930 ( 0.047 5.572 7.167) 9.079 12.964 ( -0.885 2.461 4.209) 4.956 13.692 ( -0.844 2.813 1.307) 3.214 13.758 ( 1.331 -3.459 -4.769) 6.040======================= Grid point 155 (87/88) =======================q-point: (-0.33 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( -3.750 9.482 7.385) 12.590 1.714 ( 0.230 -8.171 0.004) 8.174 1.743 ( -0.961 7.892 -2.568) 8.354 1.868 ( 2.580 -3.333 -5.344) 6.806 1.933 ( -2.555 7.745 3.395) 8.834 2.040 ( -0.149 -2.298 -0.022) 2.303 2.168 ( 1.815 -0.167 0.575) 1.911 2.207 ( 2.011 -3.855 5.770) 7.225 2.326 ( -1.501 4.043 -0.921) 4.410 2.405 ( 3.125 0.105 -0.779) 3.222 2.530 ( -1.210 -1.915 2.111) 3.097 2.640 ( 1.375 -9.013 -6.407) 11.143 3.027 ( -1.535 3.717 2.682) 4.834 3.066 ( -0.709 1.997 1.088) 2.382 3.092 ( -4.559 -0.978 -0.369) 4.677 3.135 ( -2.093 -4.087 3.199) 5.596 3.236 ( -0.936 1.589 -4.742) 5.088 3.309 ( 0.288 -3.874 -2.268) 4.498 3.450 ( 1.470 1.937 -1.495) 2.855 3.503 ( 0.180 -2.299 -4.346) 4.920 3.579 ( -4.686 4.006 6.788) 9.170 3.645 ( 0.294 -2.974 3.450) 4.564 3.782 ( 0.866 5.136 -0.037) 5.209 3.832 ( 0.188 0.273 -3.265) 3.282 3.924 ( -1.637 6.130 -2.141) 6.696 4.028 ( 1.158 1.885 0.246) 2.226 4.051 ( 1.105 -1.708 4.085) 4.563 4.086 ( 0.638 -4.927 0.307) 4.977 4.226 ( -1.352 0.599 3.607) 3.898 4.275 ( -1.358 -4.110 3.569) 5.610 4.400 ( 2.626 6.146 -1.305) 6.810 4.514 ( 3.651 -3.837 -0.867) 5.367 4.668 ( -1.189 5.100 0.303) 5.245 4.692 ( -2.059 0.419 3.018) 3.677 4.710 ( 0.342 2.176 5.272) 5.714 4.807 ( 0.492 -4.572 1.626) 4.878 4.874 ( -0.089 0.537 1.721) 1.805 4.928 ( 2.254 -2.575 1.394) 3.695 4.970 ( 0.784 3.795 -7.822) 8.729 5.048 ( 0.458 -3.158 -5.624) 6.466 5.215 ( -2.013 3.191 -1.080) 3.924 5.258 ( 0.903 -0.527 -1.795) 2.078 5.439 ( 1.235 1.792 1.173) 2.472 5.484 ( 2.129 -2.449 -2.952) 4.387 5.662 ( -2.322 1.381 5.160) 5.824 5.723 ( -3.147 -4.429 5.795) 7.944 5.844 ( 2.273 1.004 -7.663) 8.056 5.886 ( 1.338 -2.820 -6.803) 7.485 9.981 ( 0.151 0.377 -0.261) 0.483 10.014 ( 0.702 -2.742 -3.068) 4.174 10.308 ( -0.030 0.315 0.332) 0.459 10.318 ( 0.089 -0.627 -0.293) 0.698 10.887 ( 1.014 1.975 -1.789) 2.851 10.916 ( 2.609 -0.954 -1.506) 3.160 11.345 ( -2.754 0.501 1.835) 3.347 11.389 ( -1.965 -3.703 -1.861) 4.587 12.967 ( 0.920 4.727 5.651) 7.424 12.979 ( 1.076 3.419 3.496) 5.007 13.669 ( -1.846 3.578 1.520) 4.304 13.753 ( -0.034 -4.389 -4.734) 6.456======================= Grid point 156 (88/88) =======================q-point: (-0.17 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( -1.221 11.032 10.320) 15.156 1.712 ( -0.926 -2.434 3.061) 4.019 1.742 ( 1.757 4.258 -2.687) 5.332 1.836 ( -0.272 -1.465 -1.486) 2.105 1.935 ( -0.753 5.275 -5.447) 7.619 2.008 ( -2.407 -2.157 -0.605) 3.288 2.230 ( 2.568 -1.760 2.323) 3.885 2.264 ( 2.401 -3.095 4.250) 5.780 2.306 ( 0.235 2.808 -0.849) 2.943 2.435 ( -0.755 -7.891 -1.024) 7.993 2.521 ( 0.715 1.494 0.126) 1.661 2.643 ( -0.012 -8.753 -4.442) 9.816 2.989 ( -2.088 1.858 4.140) 4.995 3.008 ( -2.052 0.269 1.904) 2.812 3.086 ( 1.861 1.367 -1.529) 2.769 3.149 ( 0.617 -4.649 0.221) 4.695 3.217 ( 1.149 6.910 -4.215) 8.176 3.307 ( -0.430 -2.320 -3.590) 4.296 3.364 ( -6.276 3.199 1.820) 7.276 3.429 ( -5.285 -3.290 -1.160) 6.333 3.555 ( -2.273 7.088 9.745) 12.263 3.667 ( -0.729 -3.788 6.739) 7.765 3.792 ( 0.677 5.054 -5.855) 7.764 3.836 ( 2.045 0.127 -7.038) 7.330 3.930 ( 1.288 5.597 2.582) 6.297 4.047 ( -0.938 -1.833 1.820) 2.748 4.060 ( 2.452 0.663 -1.439) 2.919 4.097 ( 1.474 -5.938 -0.608) 6.149 4.223 ( -1.694 0.447 0.331) 1.783 4.272 ( -1.277 -3.262 1.813) 3.945 4.448 ( 2.496 2.009 0.675) 3.274 4.538 ( 0.391 -6.328 -0.879) 6.400 4.665 ( 0.523 3.596 2.845) 4.615 4.702 ( 0.936 2.353 4.261) 4.957 4.761 ( 2.166 1.939 3.811) 4.793 4.807 ( 1.172 -3.740 -0.695) 3.980 4.907 ( 0.525 2.573 0.408) 2.657 4.931 ( -1.843 2.438 -1.799) 3.547 4.937 ( -1.334 1.277 -1.106) 2.152 5.019 ( -1.233 -2.719 -4.384) 5.304 5.196 ( 0.743 4.770 -1.323) 5.006 5.263 ( 0.181 -0.382 -2.707) 2.740 5.474 ( 1.733 1.265 1.763) 2.777 5.529 ( 3.426 -3.495 -3.144) 5.817 5.630 ( -2.483 0.088 4.227) 4.903 5.671 ( -3.919 -3.914 4.957) 7.433 5.859 ( 1.730 -0.047 -6.107) 6.348 5.885 ( 0.979 -2.454 -6.219) 6.757 9.985 ( 0.336 0.613 -0.372) 0.792 10.015 ( 0.511 -2.243 -2.858) 3.669 10.311 ( 0.125 -0.083 0.300) 0.335 10.318 ( 0.033 -0.810 -0.258) 0.851 10.907 ( 1.733 2.791 -2.207) 3.958 10.954 ( 1.504 -1.721 -2.935) 3.720 11.302 ( -1.429 0.788 1.644) 2.317 11.347 ( -2.174 -3.581 0.796) 4.265 13.002 ( 0.758 5.126 4.626) 6.947 13.018 ( 0.999 3.285 3.618) 4.988 13.640 ( -1.451 3.501 1.663) 4.139 13.727 ( -0.694 -4.732 -4.687) 6.696=================== 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 3/17640 10.0 549.864 419.182 379.101 0.000 -108.702 0.000 3/17640 20.0 98.576 124.988 86.870 0.000 -24.481 0.000 3/17640 30.0 36.853 54.307 36.639 0.000 -9.818 0.000 3/17640 40.0 19.999 30.946 21.063 0.000 -5.321 0.000 3/17640 50.0 13.311 20.914 14.448 0.000 -3.470 0.000 3/17640 60.0 9.953 15.695 10.997 0.000 -2.541 0.000 3/17640 70.0 7.982 12.579 8.922 0.000 -2.002 0.000 3/17640 80.0 6.693 10.525 7.544 0.000 -1.656 0.000 3/17640 90.0 5.782 9.071 6.560 0.000 -1.415 0.000 3/17640 100.0 5.103 7.985 5.819 0.000 -1.238 0.000 3/17640 110.0 4.575 7.142 5.239 0.000 -1.101 0.000 3/17640 120.0 4.151 6.467 4.772 0.000 -0.993 0.000 3/17640 130.0 3.803 5.913 4.386 0.000 -0.905 0.000 3/17640 140.0 3.511 5.450 4.061 0.000 -0.832 0.000 3/17640 150.0 3.262 5.057 3.783 0.000 -0.770 0.000 3/17640 160.0 3.047 4.718 3.543 0.000 -0.717 0.000 3/17640 170.0 2.860 4.424 3.332 0.000 -0.671 0.000 3/17640 180.0 2.696 4.165 3.146 0.000 -0.630 0.000 3/17640 190.0 2.549 3.935 2.981 0.000 -0.594 0.000 3/17640 200.0 2.419 3.731 2.832 0.000 -0.563 0.000 3/17640 210.0 2.301 3.547 2.698 0.000 -0.534 0.000 3/17640 220.0 2.194 3.381 2.576 0.000 -0.509 0.000 3/17640 230.0 2.097 3.230 2.466 0.000 -0.485 0.000 3/17640 240.0 2.009 3.092 2.364 0.000 -0.464 0.000 3/17640 250.0 1.928 2.966 2.271 0.000 -0.445 0.000 3/17640 260.0 1.853 2.849 2.185 0.000 -0.427 0.000 3/17640 270.0 1.784 2.742 2.105 0.000 -0.411 0.000 3/17640 280.0 1.720 2.643 2.031 0.000 -0.396 0.000 3/17640 290.0 1.660 2.551 1.962 0.000 -0.382 0.000 3/17640 300.0 1.605 2.465 1.898 0.000 -0.368 0.000 3/17640 310.0 1.553 2.385 1.838 0.000 -0.356 0.000 3/17640 320.0 1.505 2.310 1.781 0.000 -0.345 0.000 3/17640 330.0 1.459 2.239 1.728 0.000 -0.334 0.000 3/17640 340.0 1.416 2.173 1.678 0.000 -0.324 0.000 3/17640 350.0 1.376 2.111 1.631 0.000 -0.315 0.000 3/17640 360.0 1.338 2.052 1.586 0.000 -0.306 0.000 3/17640 370.0 1.302 1.996 1.544 0.000 -0.297 0.000 3/17640 380.0 1.267 1.943 1.504 0.000 -0.290 0.000 3/17640 390.0 1.235 1.894 1.466 0.000 -0.282 0.000 3/17640 400.0 1.204 1.846 1.430 0.000 -0.275 0.000 3/17640 410.0 1.175 1.801 1.396 0.000 -0.268 0.000 3/17640 420.0 1.147 1.758 1.363 0.000 -0.262 0.000 3/17640 430.0 1.121 1.717 1.332 0.000 -0.256 0.000 3/17640 440.0 1.095 1.678 1.302 0.000 -0.250 0.000 3/17640 450.0 1.071 1.641 1.274 0.000 -0.244 0.000 3/17640 460.0 1.048 1.606 1.247 0.000 -0.239 0.000 3/17640 470.0 1.026 1.571 1.220 0.000 -0.234 0.000 3/17640 480.0 1.005 1.539 1.195 0.000 -0.229 0.000 3/17640 490.0 0.984 1.507 1.171 0.000 -0.224 0.000 3/17640 500.0 0.965 1.477 1.148 0.000 -0.220 0.000 3/17640 510.0 0.946 1.448 1.126 0.000 -0.215 0.000 3/17640 520.0 0.928 1.421 1.105 0.000 -0.211 0.000 3/17640 530.0 0.911 1.394 1.084 0.000 -0.207 0.000 3/17640 540.0 0.894 1.368 1.064 0.000 -0.203 0.000 3/17640 550.0 0.878 1.343 1.045 0.000 -0.200 0.000 3/17640 560.0 0.862 1.320 1.027 0.000 -0.196 0.000 3/17640 570.0 0.847 1.297 1.009 0.000 -0.192 0.000 3/17640 580.0 0.833 1.274 0.992 0.000 -0.189 0.000 3/17640 590.0 0.819 1.253 0.975 0.000 -0.186 0.000 3/17640 600.0 0.805 1.232 0.959 0.000 -0.183 0.000 3/17640 610.0 0.792 1.212 0.944 0.000 -0.180 0.000 3/17640 620.0 0.779 1.192 0.929 0.000 -0.177 0.000 3/17640 630.0 0.767 1.174 0.914 0.000 -0.174 0.000 3/17640 640.0 0.755 1.155 0.900 0.000 -0.171 0.000 3/17640 650.0 0.744 1.138 0.887 0.000 -0.169 0.000 3/17640 660.0 0.732 1.120 0.873 0.000 -0.166 0.000 3/17640 670.0 0.722 1.104 0.860 0.000 -0.164 0.000 3/17640 680.0 0.711 1.088 0.848 0.000 -0.161 0.000 3/17640 690.0 0.701 1.072 0.836 0.000 -0.159 0.000 3/17640 700.0 0.691 1.057 0.824 0.000 -0.157 0.000 3/17640 710.0 0.681 1.042 0.813 0.000 -0.155 0.000 3/17640 720.0 0.672 1.028 0.801 0.000 -0.152 0.000 3/17640 730.0 0.663 1.014 0.791 0.000 -0.150 0.000 3/17640 740.0 0.654 1.000 0.780 0.000 -0.148 0.000 3/17640 750.0 0.645 0.987 0.770 0.000 -0.146 0.000 3/17640 760.0 0.637 0.974 0.760 0.000 -0.144 0.000 3/17640 770.0 0.629 0.961 0.750 0.000 -0.142 0.000 3/17640 780.0 0.621 0.949 0.740 0.000 -0.141 0.000 3/17640 790.0 0.613 0.937 0.731 0.000 -0.139 0.000 3/17640 800.0 0.605 0.925 0.722 0.000 -0.137 0.000 3/17640 810.0 0.598 0.914 0.713 0.000 -0.135 0.000 3/17640 820.0 0.590 0.903 0.705 0.000 -0.134 0.000 3/17640 830.0 0.583 0.892 0.696 0.000 -0.132 0.000 3/17640 840.0 0.577 0.881 0.688 0.000 -0.131 0.000 3/17640 850.0 0.570 0.871 0.680 0.000 -0.129 0.000 3/17640 860.0 0.563 0.861 0.672 0.000 -0.128 0.000 3/17640 870.0 0.557 0.851 0.665 0.000 -0.126 0.000 3/17640 880.0 0.550 0.842 0.657 0.000 -0.125 0.000 3/17640 890.0 0.544 0.832 0.650 0.000 -0.123 0.000 3/17640 900.0 0.538 0.823 0.643 0.000 -0.122 0.000 3/17640 910.0 0.532 0.814 0.636 0.000 -0.121 0.000 3/17640 920.0 0.527 0.805 0.629 0.000 -0.119 0.000 3/17640 930.0 0.521 0.797 0.622 0.000 -0.118 0.000 3/17640 940.0 0.516 0.788 0.616 0.000 -0.117 0.000 3/17640 950.0 0.510 0.780 0.609 0.000 -0.116 0.000 3/17640 960.0 0.505 0.772 0.603 0.000 -0.114 0.000 3/17640 970.0 0.500 0.764 0.597 0.000 -0.113 0.000 3/17640 980.0 0.495 0.756 0.591 0.000 -0.112 0.000 3/17640 990.0 0.490 0.748 0.585 0.000 -0.111 0.000 3/17640 1000.0 0.485 0.741 0.579 0.000 -0.110 0.000 3/17640Thermal conductivity related properties were written into "kappa-m677.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:44:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|